NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
142339 | 2kax | 16033 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 12.443 2.413 21.724 2 HB2 MET 1 HB1 MET 1 12.966 2.528 19.187 3 HB3 MET 1 HB2 MET 1 11.698 3.776 19.160 4 HG2 MET 1 HG1 MET 1 14.029 3.888 21.072 5 HG3 MET 1 HG2 MET 1 14.135 4.528 19.424 6 HE1 MET 1 HE1 MET 1 13.600 7.226 22.647 7 HE2 MET 1 HE2 MET 1 13.840 5.487 22.929 8 HE3 MET 1 HE3 MET 1 14.906 6.362 21.804 9 H GLU 2 H GLU 2 9.278 2.820 20.110 10 HA GLU 2 HA GLU 2 7.333 2.825 21.231 11 HB2 GLU 2 HB1 GLU 2 8.498 4.087 23.699 12 HB3 GLU 2 HB2 GLU 2 6.912 3.307 23.494 13 HG2 GLU 2 HG1 GLU 2 9.657 2.035 23.535 14 HG3 GLU 2 HG2 GLU 2 8.257 1.687 24.572 15 H THR 3 H THR 3 8.794 4.841 19.704 16 HA THR 3 HA THR 3 7.235 7.266 20.138 17 HB THR 3 HB THR 3 8.437 8.281 18.538 18 HG1 THR 3 HG1 THR 3 9.338 7.203 16.737 19 HG21 THR 3 HG21 THR 3 10.801 7.577 18.534 20 HG22 THR 3 HG22 THR 3 10.084 7.468 20.152 21 HG23 THR 3 HG23 THR 3 10.319 5.996 19.181 22 HA PRO 4 HA PRO 4 3.703 5.984 17.999 23 HB2 PRO 4 HB1 PRO 4 2.656 8.208 16.786 24 HB3 PRO 4 HB2 PRO 4 2.727 7.991 18.565 25 HG2 PRO 4 HG1 PRO 4 4.659 9.516 16.807 26 HG3 PRO 4 HG2 PRO 4 3.903 10.061 18.340 27 HD2 PRO 4 HD1 PRO 4 6.431 9.006 18.247 28 HD3 PRO 4 HD2 PRO 4 5.334 8.675 19.623 29 H LEU 5 H LEU 5 5.774 7.968 15.746 30 HA LEU 5 HA LEU 5 4.781 6.696 13.394 31 HB2 LEU 5 HB1 LEU 5 6.002 8.808 13.359 32 HB3 LEU 5 HB2 LEU 5 7.468 7.993 13.954 33 HG LEU 5 HG LEU 5 7.337 6.540 11.867 34 HD11 LEU 5 HD11 LEU 5 6.132 7.434 9.903 35 HD12 LEU 5 HD12 LEU 5 5.016 7.006 11.218 36 HD13 LEU 5 HD13 LEU 5 5.432 8.711 10.921 37 HD21 LEU 5 HD21 LEU 5 8.458 8.209 10.444 38 HD22 LEU 5 HD22 LEU 5 7.831 9.509 11.482 39 HD23 LEU 5 HD23 LEU 5 8.988 8.327 12.137 40 H GLU 6 H GLU 6 7.437 5.709 15.660 41 HA GLU 6 HA GLU 6 8.390 3.524 14.175 42 HB2 GLU 6 HB1 GLU 6 9.344 4.232 16.340 43 HB3 GLU 6 HB2 GLU 6 7.888 3.635 17.172 44 HG2 GLU 6 HG1 GLU 6 8.392 1.356 16.143 45 HG3 GLU 6 HG2 GLU 6 9.966 2.021 15.656 46 H LYS 7 H LYS 7 5.306 3.815 16.055 47 HA LYS 7 HA LYS 7 4.723 1.006 15.654 48 HB2 LYS 7 HB1 LYS 7 2.808 3.158 16.539 49 HB3 LYS 7 HB2 LYS 7 2.644 1.398 16.746 50 HG2 LYS 7 HG1 LYS 7 4.195 3.385 18.322 51 HG3 LYS 7 HG2 LYS 7 3.265 1.963 18.853 52 HD2 LYS 7 HD1 LYS 7 5.224 0.633 17.684 53 HD3 LYS 7 HD2 LYS 7 6.118 2.152 17.930 54 HE2 LYS 7 HE1 LYS 7 5.581 2.073 20.334 55 HE3 LYS 7 HE2 LYS 7 4.698 0.550 20.085 56 HZ1 LYS 7 HZ1 LYS 7 6.937 0.167 20.839 57 HZ2 LYS 7 HZ2 LYS 7 6.745 -0.435 19.316 58 HZ3 LYS 7 HZ3 LYS 7 7.564 0.979 19.547 59 H ALA 8 H ALA 8 3.975 3.962 13.840 60 HA ALA 8 HA ALA 8 2.197 2.774 11.951 61 HB1 ALA 8 HB1 ALA 8 2.860 4.675 10.522 62 HB2 ALA 8 HB2 ALA 8 2.541 5.202 12.192 63 HB3 ALA 8 HB3 ALA 8 4.217 5.028 11.617 64 H LEU 9 H LEU 9 5.795 3.231 11.759 65 HA LEU 9 HA LEU 9 6.086 1.767 9.335 66 HB2 LEU 9 HB1 LEU 9 7.909 2.811 11.448 67 HB3 LEU 9 HB2 LEU 9 8.538 1.558 10.352 68 HG LEU 9 HG LEU 9 9.065 3.903 9.685 69 HD11 LEU 9 HD11 LEU 9 8.552 3.625 7.278 70 HD12 LEU 9 HD12 LEU 9 9.081 2.097 8.014 71 HD13 LEU 9 HD13 LEU 9 7.354 2.378 7.685 72 HD21 LEU 9 HD21 LEU 9 7.341 5.312 8.616 73 HD22 LEU 9 HD22 LEU 9 6.104 4.121 9.060 74 HD23 LEU 9 HD23 LEU 9 6.976 5.016 10.328 75 H THR 10 H THR 10 6.464 0.694 12.782 76 HA THR 10 HA THR 10 6.980 -2.009 12.430 77 HB THR 10 HB THR 10 5.043 -0.808 14.438 78 HG1 THR 10 HG1 THR 10 6.942 -0.874 15.740 79 HG21 THR 10 HG21 THR 10 5.629 -2.787 15.825 80 HG22 THR 10 HG22 THR 10 4.864 -3.282 14.298 81 HG23 THR 10 HG23 THR 10 6.629 -3.415 14.495 82 H THR 11 H THR 11 3.724 -0.433 12.377 83 HA THR 11 HA THR 11 2.253 -2.782 11.788 84 HB THR 11 HB THR 11 1.656 0.104 11.065 85 HG1 THR 11 HG1 THR 11 0.404 -0.092 12.983 86 HG21 THR 11 HG21 THR 11 -0.714 -0.619 10.999 87 HG22 THR 11 HG22 THR 11 0.248 -1.464 9.765 88 HG23 THR 11 HG23 THR 11 -0.203 -2.300 11.270 89 H MET 12 H MET 12 3.672 -0.327 9.533 90 HA MET 12 HA MET 12 2.784 -1.582 7.152 91 HB2 MET 12 HB1 MET 12 5.185 0.205 7.656 92 HB3 MET 12 HB2 MET 12 4.633 -0.301 6.040 93 HG2 MET 12 HG1 MET 12 2.507 0.836 6.370 94 HG3 MET 12 HG2 MET 12 2.949 1.252 8.035 95 HE1 MET 12 HE1 MET 12 2.981 4.494 5.450 96 HE2 MET 12 HE2 MET 12 2.181 2.955 5.059 97 HE3 MET 12 HE3 MET 12 1.978 3.682 6.671 98 H VAL 13 H VAL 13 5.886 -2.041 8.963 99 HA VAL 13 HA VAL 13 6.927 -3.814 6.934 100 HB VAL 13 HB VAL 13 8.792 -4.270 8.383 101 HG11 VAL 13 HG11 VAL 13 9.704 -1.984 8.603 102 HG12 VAL 13 HG12 VAL 13 8.817 -2.192 7.075 103 HG13 VAL 13 HG13 VAL 13 8.064 -1.318 8.431 104 HG21 VAL 13 HG21 VAL 13 9.039 -3.305 10.634 105 HG22 VAL 13 HG22 VAL 13 7.378 -2.681 10.540 106 HG23 VAL 13 HG23 VAL 13 7.672 -4.437 10.546 107 H THR 14 H THR 14 5.082 -4.301 9.938 108 HA THR 14 HA THR 14 5.442 -7.164 10.028 109 HB THR 14 HB THR 14 3.232 -5.448 11.217 110 HG1 THR 14 HG1 THR 14 4.603 -5.660 13.056 111 HG21 THR 14 HG21 THR 14 2.972 -7.321 12.829 112 HG22 THR 14 HG22 THR 14 2.641 -7.859 11.169 113 HG23 THR 14 HG23 THR 14 4.196 -8.252 11.938 114 H THR 15 H THR 15 2.840 -5.043 8.698 115 HA THR 15 HA THR 15 1.374 -7.196 7.522 116 HB THR 15 HB THR 15 0.389 -5.357 6.050 117 HG1 THR 15 HG1 THR 15 0.835 -3.267 6.857 118 HG21 THR 15 HG21 THR 15 -0.926 -4.424 7.926 119 HG22 THR 15 HG22 THR 15 -0.698 -6.177 8.109 120 HG23 THR 15 HG23 THR 15 0.280 -5.046 9.076 121 H PHE 16 H PHE 16 4.158 -5.288 6.253 122 HA PHE 16 HA PHE 16 4.018 -6.486 3.639 123 HB2 PHE 16 HB1 PHE 16 5.307 -4.428 4.369 124 HB3 PHE 16 HB2 PHE 16 6.489 -5.530 5.098 125 HD1 PHE 16 HD1 PHE 16 4.989 -4.384 1.894 126 HD2 PHE 16 HD2 PHE 16 8.079 -6.741 3.753 127 HE1 PHE 16 HE1 PHE 16 6.235 -4.441 -0.257 128 HE2 PHE 16 HE2 PHE 16 9.247 -6.915 1.566 129 HZ PHE 16 HZ PHE 16 8.376 -5.696 -0.411 130 H HIS 17 H HIS 17 5.811 -7.420 6.632 131 HA HIS 17 HA HIS 17 6.986 -9.778 5.565 132 HB2 HIS 17 HB1 HIS 17 7.625 -8.479 7.629 133 HB3 HIS 17 HB2 HIS 17 6.229 -9.208 8.445 134 HD1 HIS 17 HD1 HIS 17 6.411 -12.113 8.364 135 HD2 HIS 17 HD2 HIS 17 9.852 -9.741 7.970 136 HE1 HIS 17 HE1 HIS 17 8.393 -13.609 8.954 137 HE2 HIS 17 HE2 HIS 17 10.512 -12.177 8.731 138 H LYS 18 H LYS 18 3.680 -9.219 6.659 139 HA LYS 18 HA LYS 18 2.848 -11.930 6.926 140 HB2 LYS 18 HB1 LYS 18 1.725 -9.767 7.631 141 HB3 LYS 18 HB2 LYS 18 1.226 -9.578 5.932 142 HG2 LYS 18 HG1 LYS 18 0.476 -12.178 7.071 143 HG3 LYS 18 HG2 LYS 18 -0.239 -10.793 7.933 144 HD2 LYS 18 HD1 LYS 18 -0.909 -9.907 5.619 145 HD3 LYS 18 HD2 LYS 18 -0.494 -11.524 5.002 146 HE2 LYS 18 HE1 LYS 18 -2.806 -11.645 5.330 147 HE3 LYS 18 HE2 LYS 18 -2.148 -12.399 6.799 148 HZ1 LYS 18 HZ1 LYS 18 -3.878 -10.828 7.306 149 HZ2 LYS 18 HZ2 LYS 18 -2.442 -10.308 7.928 150 HZ3 LYS 18 HZ3 LYS 18 -3.053 -9.608 6.565 151 H TYR 19 H TYR 19 3.761 -10.185 4.058 152 HA TYR 19 HA TYR 19 2.739 -12.403 2.366 153 HB2 TYR 19 HB1 TYR 19 3.007 -9.456 1.697 154 HB3 TYR 19 HB2 TYR 19 2.673 -10.718 0.500 155 HD1 TYR 19 HD1 TYR 19 1.330 -8.795 3.344 156 HD2 TYR 19 HD2 TYR 19 0.461 -11.808 0.393 157 HE1 TYR 19 HE1 TYR 19 -1.092 -8.585 3.845 158 HE2 TYR 19 HE2 TYR 19 -1.956 -11.659 0.947 159 HH TYR 19 HH TYR 19 -3.548 -10.692 2.283 160 H SER 20 H SER 20 5.625 -10.334 3.034 161 HA SER 20 HA SER 20 7.109 -11.699 0.885 162 HB2 SER 20 HB1 SER 20 8.970 -10.251 1.558 163 HB3 SER 20 HB2 SER 20 7.480 -9.311 1.302 164 HG SER 20 HG SER 20 8.605 -8.691 3.210 165 H GLY 21 H GLY 21 6.898 -11.838 4.444 166 HA2 GLY 21 HA2 GLY 21 8.822 -13.634 4.168 167 H ARG 22 H ARG 22 6.736 -14.499 3.276 168 HA ARG 22 HA ARG 22 6.650 -17.251 4.214 169 HB2 ARG 22 HB1 ARG 22 6.040 -15.901 1.539 170 HB3 ARG 22 HB2 ARG 22 5.610 -17.576 1.963 171 HG2 ARG 22 HG1 ARG 22 3.814 -16.940 3.236 172 HG3 ARG 22 HG2 ARG 22 4.572 -15.411 3.746 173 HD2 ARG 22 HD1 ARG 22 3.077 -14.512 2.288 174 HD3 ARG 22 HD2 ARG 22 4.338 -14.921 1.105 175 HE ARG 22 HE ARG 22 2.328 -17.018 1.469 176 HH11 ARG 22 HH12 ARG 22 3.966 -15.025 -0.800 177 HH12 ARG 22 HH11 ARG 22 2.626 -14.846 -1.898 178 HH21 ARG 22 HH22 ARG 22 0.297 -16.265 0.214 179 HH22 ARG 22 HH21 ARG 22 0.606 -15.529 -1.338 180 H GLU 23 H GLU 23 9.016 -15.350 2.418 181 HA GLU 23 HA GLU 23 9.815 -17.648 0.714 182 HB2 GLU 23 HB1 GLU 23 8.601 -15.008 -0.138 183 HB3 GLU 23 HB2 GLU 23 9.669 -15.919 -1.230 184 HG2 GLU 23 HG1 GLU 23 8.160 -17.681 -1.457 185 HG3 GLU 23 HG2 GLU 23 7.354 -17.330 0.088 186 H GLY 24 H GLY 24 11.538 -16.172 -1.014 187 HA2 GLY 24 HA2 GLY 24 13.208 -15.660 0.982 188 H SER 25 H SER 25 11.973 -13.657 0.202 189 HA SER 25 HA SER 25 14.222 -11.820 0.784 190 HB2 SER 25 HB1 SER 25 13.887 -11.495 -1.608 191 HB3 SER 25 HB2 SER 25 12.122 -11.416 -1.391 192 HG SER 25 HG SER 25 13.089 -9.333 -1.587 193 H LYS 26 H LYS 26 13.627 -10.351 2.418 194 HA LYS 26 HA LYS 26 10.731 -10.363 3.089 195 HB2 LYS 26 HB1 LYS 26 13.057 -9.921 4.976 196 HB3 LYS 26 HB2 LYS 26 11.333 -9.985 5.415 197 HG2 LYS 26 HG1 LYS 26 11.396 -12.295 4.125 198 HG3 LYS 26 HG2 LYS 26 13.147 -12.197 4.428 199 HD2 LYS 26 HD1 LYS 26 10.911 -12.372 6.453 200 HD3 LYS 26 HD2 LYS 26 12.180 -13.572 6.111 201 HE2 LYS 26 HE1 LYS 26 12.681 -10.818 7.278 202 HE3 LYS 26 HE2 LYS 26 12.515 -12.307 8.233 203 HZ1 LYS 26 HZ1 LYS 26 14.807 -11.761 7.828 204 HZ2 LYS 26 HZ2 LYS 26 14.423 -13.180 7.084 205 HZ3 LYS 26 HZ3 LYS 26 14.575 -11.798 6.197 206 H LEU 27 H LEU 27 12.979 -8.385 1.634 207 HA LEU 27 HA LEU 27 11.573 -5.882 2.365 208 HB2 LEU 27 HB1 LEU 27 14.144 -6.403 0.839 209 HB3 LEU 27 HB2 LEU 27 13.427 -4.791 1.075 210 HG LEU 27 HG LEU 27 14.583 -6.617 3.198 211 HD11 LEU 27 HD11 LEU 27 16.234 -4.776 3.413 212 HD12 LEU 27 HD12 LEU 27 16.208 -5.428 1.756 213 HD13 LEU 27 HD13 LEU 27 15.405 -3.881 2.116 214 HD21 LEU 27 HD21 LEU 27 14.144 -4.798 4.817 215 HD22 LEU 27 HD22 LEU 27 13.291 -3.885 3.554 216 HD23 LEU 27 HD23 LEU 27 12.633 -5.434 4.130 217 H THR 28 H THR 28 11.801 -8.161 -0.289 218 HA THR 28 HA THR 28 10.263 -6.295 -2.014 219 HB THR 28 HB THR 28 11.101 -7.434 -3.992 220 HG1 THR 28 HG1 THR 28 12.829 -8.922 -3.756 221 HG21 THR 28 HG21 THR 28 13.455 -6.670 -3.954 222 HG22 THR 28 HG22 THR 28 12.378 -5.487 -3.185 223 HG23 THR 28 HG23 THR 28 13.385 -6.560 -2.183 224 H LEU 29 H LEU 29 8.964 -7.549 -3.682 225 HA LEU 29 HA LEU 29 8.464 -10.274 -3.664 226 HB2 LEU 29 HB1 LEU 29 6.348 -10.682 -2.845 227 HB3 LEU 29 HB2 LEU 29 7.218 -9.812 -1.560 228 HG LEU 29 HG LEU 29 5.013 -8.729 -3.332 229 HD11 LEU 29 HD11 LEU 29 3.773 -8.622 -1.178 230 HD12 LEU 29 HD12 LEU 29 4.307 -10.283 -1.530 231 HD13 LEU 29 HD13 LEU 29 5.185 -9.298 -0.334 232 HD21 LEU 29 HD21 LEU 29 5.095 -6.675 -1.957 233 HD22 LEU 29 HD22 LEU 29 6.517 -7.312 -1.102 234 HD23 LEU 29 HD23 LEU 29 6.617 -6.927 -2.836 235 H SER 30 H SER 30 6.002 -10.465 -5.016 236 HA SER 30 HA SER 30 6.663 -9.034 -7.469 237 HB2 SER 30 HB1 SER 30 4.919 -10.366 -8.495 238 HB3 SER 30 HB2 SER 30 5.919 -11.407 -7.452 239 HG SER 30 HG SER 30 3.664 -11.779 -7.184 240 H ARG 31 H ARG 31 5.318 -7.566 -8.674 241 HA ARG 31 HA ARG 31 3.841 -5.636 -7.305 242 HB2 ARG 31 HB1 ARG 31 2.661 -6.216 -9.913 243 HB3 ARG 31 HB2 ARG 31 3.337 -4.709 -9.251 244 HG2 ARG 31 HG1 ARG 31 5.106 -6.812 -10.435 245 HG3 ARG 31 HG2 ARG 31 4.228 -5.646 -11.452 246 HD2 ARG 31 HD1 ARG 31 6.174 -4.936 -9.248 247 HD3 ARG 31 HD2 ARG 31 6.551 -4.976 -10.984 248 HE ARG 31 HE ARG 31 4.346 -3.256 -10.638 249 HH11 ARG 31 HH12 ARG 31 7.839 -3.286 -10.135 250 HH12 ARG 31 HH11 ARG 31 7.934 -1.561 -9.911 251 HH21 ARG 31 HH22 ARG 31 4.532 -1.023 -10.129 252 HH22 ARG 31 HH21 ARG 31 6.111 -0.314 -9.908 253 H LYS 32 H LYS 32 2.676 -8.693 -8.736 254 HA LYS 32 HA LYS 32 -0.073 -8.491 -8.532 255 HB2 LYS 32 HB1 LYS 32 1.483 -10.338 -9.478 256 HB3 LYS 32 HB2 LYS 32 1.437 -11.021 -7.835 257 HG2 LYS 32 HG1 LYS 32 -1.075 -10.967 -7.933 258 HG3 LYS 32 HG2 LYS 32 -0.965 -10.407 -9.620 259 HD2 LYS 32 HD1 LYS 32 0.688 -12.750 -9.199 260 HD3 LYS 32 HD2 LYS 32 -0.988 -13.063 -8.686 261 HE2 LYS 32 HE1 LYS 32 -0.944 -13.727 -10.937 262 HE3 LYS 32 HE2 LYS 32 -1.670 -12.106 -10.984 263 HZ1 LYS 32 HZ1 LYS 32 0.010 -12.377 -12.656 264 HZ2 LYS 32 HZ2 LYS 32 0.478 -11.233 -11.566 265 HZ3 LYS 32 HZ3 LYS 32 1.150 -12.737 -11.522 266 H GLU 33 H GLU 33 2.198 -9.405 -5.922 267 HA GLU 33 HA GLU 33 -0.002 -10.157 -4.148 268 HB2 GLU 33 HB1 GLU 33 2.246 -11.379 -4.517 269 HB3 GLU 33 HB2 GLU 33 2.921 -10.150 -3.420 270 HG2 GLU 33 HG1 GLU 33 2.453 -11.952 -2.007 271 HG3 GLU 33 HG2 GLU 33 1.064 -10.868 -1.778 272 H LEU 34 H LEU 34 2.490 -7.489 -4.199 273 HA LEU 34 HA LEU 34 1.669 -6.154 -1.871 274 HB2 LEU 34 HB1 LEU 34 3.531 -5.307 -3.048 275 HB3 LEU 34 HB2 LEU 34 2.609 -5.148 -4.563 276 HG LEU 34 HG LEU 34 1.292 -3.326 -3.550 277 HD11 LEU 34 HD11 LEU 34 2.001 -2.282 -1.423 278 HD12 LEU 34 HD12 LEU 34 1.497 -3.968 -1.184 279 HD13 LEU 34 HD13 LEU 34 3.226 -3.551 -1.218 280 HD21 LEU 34 HD21 LEU 34 3.020 -1.551 -3.530 281 HD22 LEU 34 HD22 LEU 34 4.279 -2.792 -3.373 282 HD23 LEU 34 HD23 LEU 34 3.288 -2.706 -4.849 283 H LYS 35 H LYS 35 0.160 -5.980 -5.133 284 HA LYS 35 HA LYS 35 -1.875 -4.114 -4.581 285 HB2 LYS 35 HB1 LYS 35 -1.191 -5.106 -6.771 286 HB3 LYS 35 HB2 LYS 35 -1.953 -6.638 -6.282 287 HG2 LYS 35 HG1 LYS 35 -4.048 -4.998 -5.909 288 HG3 LYS 35 HG2 LYS 35 -3.195 -4.074 -7.170 289 HD2 LYS 35 HD1 LYS 35 -4.645 -5.506 -8.371 290 HD3 LYS 35 HD2 LYS 35 -3.063 -6.315 -8.454 291 HE2 LYS 35 HE1 LYS 35 -4.613 -7.049 -6.064 292 HE3 LYS 35 HE2 LYS 35 -5.445 -7.458 -7.578 293 HZ1 LYS 35 HZ1 LYS 35 -4.073 -9.254 -6.805 294 HZ2 LYS 35 HZ2 LYS 35 -3.504 -8.680 -8.241 295 HZ3 LYS 35 HZ3 LYS 35 -2.731 -8.299 -6.835 296 H GLU 36 H GLU 36 -1.743 -7.604 -3.965 297 HA GLU 36 HA GLU 36 -4.452 -7.952 -3.090 298 HB2 GLU 36 HB1 GLU 36 -2.501 -9.550 -4.034 299 HB3 GLU 36 HB2 GLU 36 -2.248 -9.814 -2.292 300 HG2 GLU 36 HG1 GLU 36 -3.744 -11.510 -3.248 301 HG3 GLU 36 HG2 GLU 36 -4.585 -10.511 -2.042 302 H LEU 37 H LEU 37 -1.332 -7.741 -1.349 303 HA LEU 37 HA LEU 37 -2.071 -7.680 1.307 304 HB2 LEU 37 HB1 LEU 37 0.163 -7.662 0.960 305 HB3 LEU 37 HB2 LEU 37 0.059 -6.526 -0.405 306 HG LEU 37 HG LEU 37 0.026 -4.651 1.076 307 HD11 LEU 37 HD11 LEU 37 0.377 -4.794 3.519 308 HD12 LEU 37 HD12 LEU 37 -1.168 -5.520 3.036 309 HD13 LEU 37 HD13 LEU 37 0.223 -6.559 3.425 310 HD21 LEU 37 HD21 LEU 37 2.316 -4.896 2.015 311 HD22 LEU 37 HD22 LEU 37 2.184 -6.661 1.862 312 HD23 LEU 37 HD23 LEU 37 2.197 -5.640 0.405 313 H ILE 38 H ILE 38 -2.034 -4.818 -0.912 314 HA ILE 38 HA ILE 38 -2.985 -2.994 1.026 315 HB ILE 38 HB ILE 38 -3.019 -2.939 -1.995 316 HG12 ILE 38 HG13 ILE 38 -1.429 -1.378 0.085 317 HG13 ILE 38 HG12 ILE 38 -0.854 -2.861 -0.713 318 HG21 ILE 38 HG21 ILE 38 -3.603 -0.530 -1.850 319 HG22 ILE 38 HG22 ILE 38 -4.911 -1.549 -1.206 320 HG23 ILE 38 HG23 ILE 38 -3.822 -0.690 -0.092 321 HD11 ILE 38 HD11 ILE 38 0.127 -0.845 -1.767 322 HD12 ILE 38 HD12 ILE 38 -0.929 -1.717 -2.897 323 HD13 ILE 38 HD13 ILE 38 -1.506 -0.234 -2.101 324 H LYS 39 H LYS 39 -4.985 -4.829 -1.443 325 HA LYS 39 HA LYS 39 -7.381 -3.665 -0.350 326 HB2 LYS 39 HB1 LYS 39 -6.664 -5.461 -2.531 327 HB3 LYS 39 HB2 LYS 39 -8.183 -5.940 -1.734 328 HG2 LYS 39 HG1 LYS 39 -7.543 -3.201 -2.868 329 HG3 LYS 39 HG2 LYS 39 -8.568 -4.437 -3.636 330 HD2 LYS 39 HD1 LYS 39 -9.150 -2.823 -1.142 331 HD3 LYS 39 HD2 LYS 39 -9.991 -2.761 -2.710 332 HE2 LYS 39 HE1 LYS 39 -10.690 -5.168 -2.294 333 HE3 LYS 39 HE2 LYS 39 -10.069 -4.977 -0.641 334 HZ1 LYS 39 HZ1 LYS 39 -12.420 -4.556 -0.760 335 HZ2 LYS 39 HZ2 LYS 39 -11.620 -3.180 -0.335 336 HZ3 LYS 39 HZ3 LYS 39 -12.195 -3.357 -1.869 337 H LYS 40 H LYS 40 -5.568 -6.500 0.696 338 HA LYS 40 HA LYS 40 -7.778 -7.499 2.322 339 HB2 LYS 40 HB1 LYS 40 -4.954 -8.244 1.773 340 HB3 LYS 40 HB2 LYS 40 -5.577 -8.671 3.384 341 HG2 LYS 40 HG1 LYS 40 -5.865 -10.553 1.954 342 HG3 LYS 40 HG2 LYS 40 -7.469 -9.851 2.276 343 HD2 LYS 40 HD1 LYS 40 -7.527 -8.865 0.044 344 HD3 LYS 40 HD2 LYS 40 -5.868 -9.422 -0.281 345 HE2 LYS 40 HE1 LYS 40 -6.556 -11.756 0.007 346 HE3 LYS 40 HE2 LYS 40 -8.195 -11.247 0.468 347 HZ1 LYS 40 HZ1 LYS 40 -8.092 -11.958 -1.811 348 HZ2 LYS 40 HZ2 LYS 40 -8.468 -10.356 -1.735 349 HZ3 LYS 40 HZ3 LYS 40 -6.946 -10.828 -2.161 350 H GLU 41 H GLU 41 -4.657 -5.778 3.066 351 HA GLU 41 HA GLU 41 -5.438 -5.672 5.878 352 HB2 GLU 41 HB1 GLU 41 -3.017 -4.363 4.658 353 HB3 GLU 41 HB2 GLU 41 -3.277 -4.865 6.345 354 HG2 GLU 41 HG1 GLU 41 -2.720 -6.611 3.950 355 HG3 GLU 41 HG2 GLU 41 -1.674 -6.311 5.354 356 H LEU 42 H LEU 42 -5.897 -3.576 3.170 357 HA LEU 42 HA LEU 42 -6.805 -1.449 5.013 358 HB2 LEU 42 HB1 LEU 42 -4.676 -1.233 3.099 359 HB3 LEU 42 HB2 LEU 42 -6.023 -0.186 2.588 360 HG LEU 42 HG LEU 42 -4.854 -0.236 5.392 361 HD11 LEU 42 HD11 LEU 42 -3.738 1.894 4.798 362 HD12 LEU 42 HD12 LEU 42 -3.184 0.562 3.761 363 HD13 LEU 42 HD13 LEU 42 -4.354 1.748 3.137 364 HD21 LEU 42 HD21 LEU 42 -6.041 1.913 5.711 365 HD22 LEU 42 HD22 LEU 42 -6.702 1.783 4.067 366 HD23 LEU 42 HD23 LEU 42 -7.169 0.601 5.312 367 H CYS 43 H CYS 43 -8.958 -1.832 4.984 368 HA CYS 43 HA CYS 43 -10.442 -2.081 2.522 369 HB2 CYS 43 HB1 CYS 43 -11.076 -1.951 5.366 370 HB3 CYS 43 HB2 CYS 43 -12.228 -1.017 4.376 371 HG CYS 43 HG CYS 43 -13.141 -3.445 4.751 372 H LEU 44 H LEU 44 -10.517 -0.666 1.031 373 HA LEU 44 HA LEU 44 -11.036 2.183 1.404 374 HB2 LEU 44 HB1 LEU 44 -8.490 1.120 0.125 375 HB3 LEU 44 HB2 LEU 44 -9.094 2.779 -0.096 376 HG LEU 44 HG LEU 44 -8.286 1.546 2.556 377 HD11 LEU 44 HD11 LEU 44 -6.291 2.989 2.348 378 HD12 LEU 44 HD12 LEU 44 -6.388 1.822 1.007 379 HD13 LEU 44 HD13 LEU 44 -6.843 3.523 0.743 380 HD21 LEU 44 HD21 LEU 44 -8.412 3.851 3.424 381 HD22 LEU 44 HD22 LEU 44 -8.991 4.414 1.841 382 HD23 LEU 44 HD23 LEU 44 -9.987 3.301 2.810 383 H GLY 45 H GLY 45 -10.407 -0.573 -0.761 384 HA2 GLY 45 HA2 GLY 45 -12.085 0.723 -2.347 385 H GLU 46 H GLU 46 -13.493 0.659 -1.323 386 HA GLU 46 HA GLU 46 -15.690 -0.733 -2.454 387 HB2 GLU 46 HB1 GLU 46 -16.416 -2.028 -0.569 388 HB3 GLU 46 HB2 GLU 46 -14.805 -2.574 -1.096 389 HG2 GLU 46 HG1 GLU 46 -15.470 -0.899 1.335 390 HG3 GLU 46 HG2 GLU 46 -14.927 -2.592 1.309 391 H MET 47 H MET 47 -14.383 1.155 0.332 392 HA MET 47 HA MET 47 -16.565 3.022 0.421 393 HB2 MET 47 HB1 MET 47 -13.606 3.301 1.068 394 HB3 MET 47 HB2 MET 47 -14.857 4.503 1.467 395 HG2 MET 47 HG1 MET 47 -16.032 2.682 2.778 396 HG3 MET 47 HG2 MET 47 -14.596 1.675 2.532 397 HE1 MET 47 HE1 MET 47 -11.903 4.123 4.259 398 HE2 MET 47 HE2 MET 47 -12.097 2.720 3.179 399 HE3 MET 47 HE3 MET 47 -12.557 4.347 2.618 400 H LYS 48 H LYS 48 -13.716 2.663 -1.670 401 HA LYS 48 HA LYS 48 -14.473 5.037 -3.269 402 HB2 LYS 48 HB1 LYS 48 -12.629 5.135 -1.345 403 HB3 LYS 48 HB2 LYS 48 -11.627 4.315 -2.566 404 HG2 LYS 48 HG1 LYS 48 -11.182 6.558 -2.886 405 HG3 LYS 48 HG2 LYS 48 -12.382 6.171 -4.142 406 HD2 LYS 48 HD1 LYS 48 -13.994 7.517 -3.186 407 HD3 LYS 48 HD2 LYS 48 -13.496 7.110 -1.526 408 HE2 LYS 48 HE1 LYS 48 -12.672 9.281 -1.723 409 HE3 LYS 48 HE2 LYS 48 -11.262 8.310 -2.203 410 HZ1 LYS 48 HZ1 LYS 48 -11.625 10.145 -3.684 411 HZ2 LYS 48 HZ2 LYS 48 -11.837 8.719 -4.480 412 HZ3 LYS 48 HZ3 LYS 48 -13.146 9.620 -4.034 413 H GLU 49 H GLU 49 -12.956 5.049 -5.279 414 HA GLU 49 HA GLU 49 -12.991 2.486 -6.662 415 HB2 GLU 49 HB1 GLU 49 -14.796 3.765 -8.231 416 HB3 GLU 49 HB2 GLU 49 -15.201 2.549 -6.996 417 HG2 GLU 49 HG1 GLU 49 -16.706 4.550 -7.040 418 HG3 GLU 49 HG2 GLU 49 -15.948 4.226 -5.466 419 H SER 50 H SER 50 -13.446 5.984 -7.541 420 HA SER 50 HA SER 50 -12.083 5.731 -9.996 421 HB2 SER 50 HB1 SER 50 -12.632 8.191 -8.288 422 HB3 SER 50 HB2 SER 50 -12.136 8.218 -9.999 423 HG SER 50 HG SER 50 -14.408 8.397 -9.728 424 H SER 51 H SER 51 -10.019 5.732 -10.542 425 HA SER 51 HA SER 51 -7.777 6.029 -10.604 426 HB2 SER 51 HB1 SER 51 -7.487 7.185 -7.850 427 HB3 SER 51 HB2 SER 51 -6.533 7.486 -9.323 428 HG SER 51 HG SER 51 -7.879 9.254 -8.755 429 H ILE 52 H ILE 52 -9.050 5.044 -7.368 430 HA ILE 52 HA ILE 52 -6.838 3.457 -6.608 431 HB ILE 52 HB ILE 52 -7.961 2.834 -4.822 432 HG12 ILE 52 HG13 ILE 52 -10.554 2.523 -4.720 433 HG13 ILE 52 HG12 ILE 52 -10.380 2.223 -6.468 434 HG21 ILE 52 HG21 ILE 52 -9.667 4.481 -4.086 435 HG22 ILE 52 HG22 ILE 52 -8.345 5.253 -4.984 436 HG23 ILE 52 HG23 ILE 52 -9.912 4.960 -5.776 437 HD11 ILE 52 HD11 ILE 52 -10.358 0.098 -5.191 438 HD12 ILE 52 HD12 ILE 52 -8.801 0.388 -5.995 439 HD13 ILE 52 HD13 ILE 52 -8.973 0.687 -4.249 440 H ASP 53 H ASP 53 -9.552 2.771 -8.672 441 HA ASP 53 HA ASP 53 -9.193 -0.008 -9.079 442 HB2 ASP 53 HB1 ASP 53 -11.253 1.375 -9.481 443 HB3 ASP 53 HB2 ASP 53 -10.449 2.095 -10.892 444 H ASP 54 H ASP 54 -7.682 2.807 -10.828 445 HA ASP 54 HA ASP 54 -6.403 0.927 -12.655 446 HB2 ASP 54 HB1 ASP 54 -6.770 3.172 -13.528 447 HB3 ASP 54 HB2 ASP 54 -5.769 3.868 -12.235 448 H LEU 55 H LEU 55 -5.409 2.731 -9.667 449 HA LEU 55 HA LEU 55 -2.659 2.109 -9.836 450 HB2 LEU 55 HB1 LEU 55 -4.421 2.523 -7.405 451 HB3 LEU 55 HB2 LEU 55 -2.643 2.490 -7.378 452 HG LEU 55 HG LEU 55 -4.320 4.467 -8.958 453 HD11 LEU 55 HD11 LEU 55 -3.669 6.105 -7.222 454 HD12 LEU 55 HD12 LEU 55 -4.606 4.761 -6.526 455 HD13 LEU 55 HD13 LEU 55 -2.839 4.815 -6.319 456 HD21 LEU 55 HD21 LEU 55 -2.201 5.709 -9.235 457 HD22 LEU 55 HD22 LEU 55 -1.335 4.422 -8.365 458 HD23 LEU 55 HD23 LEU 55 -2.095 4.080 -9.939 459 H MET 56 H MET 56 -5.317 0.263 -8.323 460 HA MET 56 HA MET 56 -4.054 -2.080 -7.511 461 HB2 MET 56 HB1 MET 56 -6.691 -1.502 -8.893 462 HB3 MET 56 HB2 MET 56 -6.242 -3.158 -8.418 463 HG2 MET 56 HG1 MET 56 -6.139 -0.953 -6.383 464 HG3 MET 56 HG2 MET 56 -7.706 -1.642 -6.842 465 HE1 MET 56 HE1 MET 56 -4.615 -3.306 -4.007 466 HE2 MET 56 HE2 MET 56 -4.111 -2.413 -5.461 467 HE3 MET 56 HE3 MET 56 -5.186 -1.642 -4.271 468 H LYS 57 H LYS 57 -5.451 -1.516 -10.752 469 HA LYS 57 HA LYS 57 -4.390 -3.853 -11.971 470 HB2 LYS 57 HB1 LYS 57 -5.741 -1.319 -12.827 471 HB3 LYS 57 HB2 LYS 57 -4.952 -2.314 -14.074 472 HG2 LYS 57 HG1 LYS 57 -7.383 -2.730 -13.834 473 HG3 LYS 57 HG2 LYS 57 -6.369 -4.174 -13.597 474 HD2 LYS 57 HD1 LYS 57 -7.020 -4.448 -11.439 475 HD3 LYS 57 HD2 LYS 57 -7.148 -2.698 -11.136 476 HE2 LYS 57 HE1 LYS 57 -9.156 -4.285 -12.780 477 HE3 LYS 57 HE2 LYS 57 -9.338 -3.952 -11.044 478 HZ1 LYS 57 HZ1 LYS 57 -10.493 -2.348 -12.383 479 HZ2 LYS 57 HZ2 LYS 57 -9.272 -1.616 -11.550 480 HZ3 LYS 57 HZ3 LYS 57 -9.103 -1.924 -13.161 481 H SER 58 H SER 58 -2.833 -0.837 -11.267 482 HA SER 58 HA SER 58 -0.980 -0.910 -13.493 483 HB2 SER 58 HB1 SER 58 -1.589 1.045 -11.321 484 HB3 SER 58 HB2 SER 58 -0.016 1.136 -12.148 485 HG SER 58 HG SER 58 -1.674 2.287 -13.265 486 H LEU 59 H LEU 59 -0.845 -2.041 -10.136 487 HA LEU 59 HA LEU 59 1.937 -2.867 -10.438 488 HB2 LEU 59 HB1 LEU 59 -0.371 -3.741 -8.671 489 HB3 LEU 59 HB2 LEU 59 1.273 -4.416 -8.550 490 HG LEU 59 HG LEU 59 0.358 -1.590 -7.948 491 HD11 LEU 59 HD11 LEU 59 1.275 -2.175 -5.719 492 HD12 LEU 59 HD12 LEU 59 0.035 -3.346 -6.229 493 HD13 LEU 59 HD13 LEU 59 1.758 -3.773 -6.338 494 HD21 LEU 59 HD21 LEU 59 2.705 -1.018 -7.397 495 HD22 LEU 59 HD22 LEU 59 3.229 -2.602 -8.009 496 HD23 LEU 59 HD23 LEU 59 2.522 -1.404 -9.121 497 H ASP 60 H ASP 60 -1.239 -4.489 -10.764 498 HA ASP 60 HA ASP 60 -0.211 -6.941 -11.792 499 HB2 ASP 60 HB1 ASP 60 -2.658 -5.919 -10.837 500 HB3 ASP 60 HB2 ASP 60 -2.982 -6.490 -12.488 501 H LYS 61 H LYS 61 -0.209 -4.009 -13.349 502 HA LYS 61 HA LYS 61 -0.966 -4.600 -16.049 503 HB2 LYS 61 HB1 LYS 61 -0.373 -2.395 -14.573 504 HB3 LYS 61 HB2 LYS 61 1.164 -2.602 -15.448 505 HG2 LYS 61 HG1 LYS 61 -0.081 -0.977 -16.599 506 HG3 LYS 61 HG2 LYS 61 -0.117 -2.460 -17.581 507 HD2 LYS 61 HD1 LYS 61 -2.229 -1.425 -17.762 508 HD3 LYS 61 HD2 LYS 61 -2.421 -2.882 -16.758 509 HE2 LYS 61 HE1 LYS 61 -3.843 -1.314 -15.800 510 HE3 LYS 61 HE2 LYS 61 -2.409 -1.318 -14.750 511 HZ1 LYS 61 HZ1 LYS 61 -3.232 0.895 -15.124 512 HZ2 LYS 61 HZ2 LYS 61 -1.731 0.723 -15.777 513 HZ3 LYS 61 HZ3 LYS 61 -3.062 0.726 -16.752 514 H ASN 62 H ASN 62 1.944 -5.128 -14.172 515 HA ASN 62 HA ASN 62 3.204 -6.620 -16.419 516 HB2 ASN 62 HB1 ASN 62 4.538 -4.784 -14.387 517 HB3 ASN 62 HB2 ASN 62 5.408 -5.848 -15.513 518 HD21 ASN 62 HD21 ASN 62 5.114 -5.455 -17.845 519 HD22 ASN 62 HD22 ASN 62 4.732 -3.840 -18.412 520 H SER 63 H SER 63 2.985 -6.193 -12.873 521 HA SER 63 HA SER 63 2.115 -7.549 -11.389 522 HB2 SER 63 HB1 SER 63 0.864 -8.435 -13.501 523 HB3 SER 63 HB2 SER 63 1.848 -9.895 -13.240 524 HG SER 63 HG SER 63 -0.150 -9.954 -12.100 525 H ASP 64 H ASP 64 4.590 -9.469 -13.220 526 HA ASP 64 HA ASP 64 4.943 -11.030 -10.701 527 HB2 ASP 64 HB1 ASP 64 4.994 -11.961 -13.585 528 HB3 ASP 64 HB2 ASP 64 5.458 -12.967 -12.196 529 H GLN 65 H GLN 65 6.268 -8.645 -12.093 530 HA GLN 65 HA GLN 65 9.087 -9.344 -11.690 531 HB2 GLN 65 HB1 GLN 65 8.622 -6.535 -11.756 532 HB3 GLN 65 HB2 GLN 65 9.435 -7.560 -12.962 533 HG2 GLN 65 HG1 GLN 65 7.389 -7.794 -14.222 534 HG3 GLN 65 HG2 GLN 65 6.465 -6.944 -12.962 535 HE21 GLN 65 HE12 GLN 65 9.050 -6.494 -15.455 536 HE22 GLN 65 HE22 GLN 65 8.895 -4.755 -15.526 537 H GLU 66 H GLU 66 10.341 -8.093 -10.076 538 HA GLU 66 HA GLU 66 8.880 -7.955 -7.583 539 HB2 GLU 66 HB1 GLU 66 11.808 -7.637 -8.250 540 HB3 GLU 66 HB2 GLU 66 11.160 -7.386 -6.612 541 HG2 GLU 66 HG1 GLU 66 10.254 -9.699 -6.633 542 HG3 GLU 66 HG2 GLU 66 10.949 -9.945 -8.250 543 H ILE 67 H ILE 67 9.045 -6.401 -6.092 544 HA ILE 67 HA ILE 67 9.563 -3.557 -6.724 545 HB ILE 67 HB ILE 67 7.580 -3.284 -4.936 546 HG12 ILE 67 HG13 ILE 67 6.644 -5.716 -6.477 547 HG13 ILE 67 HG12 ILE 67 7.265 -5.772 -4.810 548 HG21 ILE 67 HG21 ILE 67 6.038 -2.792 -6.778 549 HG22 ILE 67 HG22 ILE 67 7.681 -2.200 -7.121 550 HG23 ILE 67 HG23 ILE 67 7.091 -3.688 -7.898 551 HD11 ILE 67 HD11 ILE 67 4.809 -5.771 -4.846 552 HD12 ILE 67 HD12 ILE 67 5.451 -4.299 -4.084 553 HD13 ILE 67 HD13 ILE 67 4.831 -4.243 -5.751 554 H ASP 68 H ASP 68 10.511 -2.484 -4.959 555 HA ASP 68 HA ASP 68 10.676 -3.883 -2.357 556 HB2 ASP 68 HB1 ASP 68 12.412 -2.361 -1.792 557 HB3 ASP 68 HB2 ASP 68 12.715 -2.876 -3.465 558 H PHE 69 H PHE 69 10.647 -2.239 -0.470 559 HA PHE 69 HA PHE 69 8.021 -1.650 0.184 560 HB2 PHE 69 HB1 PHE 69 10.373 -1.914 1.449 561 HB3 PHE 69 HB2 PHE 69 10.272 -0.145 1.469 562 HD1 PHE 69 HD2 PHE 69 8.275 0.966 2.637 563 HD2 PHE 69 HD1 PHE 69 9.089 -3.254 2.907 564 HE1 PHE 69 HE2 PHE 69 6.973 0.851 4.750 565 HE2 PHE 69 HE1 PHE 69 7.781 -3.368 5.013 566 HZ PHE 69 HZ PHE 69 6.763 -1.312 5.959 567 H LYS 70 H LYS 70 10.154 0.435 -1.631 568 HA LYS 70 HA LYS 70 9.039 3.008 -1.184 569 HB2 LYS 70 HB1 LYS 70 11.163 2.427 -2.274 570 HB3 LYS 70 HB2 LYS 70 10.278 1.604 -3.582 571 HG2 LYS 70 HG1 LYS 70 9.278 3.921 -4.096 572 HG3 LYS 70 HG2 LYS 70 10.581 4.560 -3.066 573 HD2 LYS 70 HD1 LYS 70 10.941 2.779 -5.508 574 HD3 LYS 70 HD2 LYS 70 11.220 4.535 -5.454 575 HE2 LYS 70 HE1 LYS 70 13.369 3.670 -5.334 576 HE3 LYS 70 HE2 LYS 70 12.978 3.974 -3.628 577 HZ1 LYS 70 HZ1 LYS 70 14.024 1.846 -3.935 578 HZ2 LYS 70 HZ2 LYS 70 12.481 1.648 -3.396 579 HZ3 LYS 70 HZ3 LYS 70 12.844 1.366 -4.979 580 H GLU 71 H GLU 71 8.295 0.547 -3.715 581 HA GLU 71 HA GLU 71 6.149 2.087 -4.833 582 HB2 GLU 71 HB1 GLU 71 6.909 -0.822 -5.214 583 HB3 GLU 71 HB2 GLU 71 5.678 0.045 -6.162 584 HG2 GLU 71 HG1 GLU 71 7.834 1.763 -6.328 585 HG3 GLU 71 HG2 GLU 71 8.636 0.179 -6.308 586 H TYR 72 H TYR 72 6.331 -0.303 -2.247 587 HA TYR 72 HA TYR 72 3.510 -0.533 -1.811 588 HB2 TYR 72 HB1 TYR 72 5.029 -2.077 -0.866 589 HB3 TYR 72 HB2 TYR 72 5.962 -0.791 -0.081 590 HD1 TYR 72 HD2 TYR 72 2.224 -1.044 0.139 591 HD2 TYR 72 HD1 TYR 72 6.006 -1.616 2.101 592 HE1 TYR 72 HE2 TYR 72 1.048 -1.898 2.148 593 HE2 TYR 72 HE1 TYR 72 4.827 -2.269 4.183 594 HH TYR 72 HH TYR 72 1.254 -2.670 4.288 595 H SER 73 H SER 73 5.906 1.823 -0.381 596 HA SER 73 HA SER 73 3.796 2.989 1.212 597 HB2 SER 73 HB1 SER 73 5.539 4.510 2.018 598 HB3 SER 73 HB2 SER 73 6.065 2.811 2.063 599 HG SER 73 HG SER 73 7.664 4.216 1.213 600 H VAL 74 H VAL 74 5.416 4.058 -1.837 601 HA VAL 74 HA VAL 74 4.140 6.596 -1.908 602 HB VAL 74 HB VAL 74 4.398 6.627 -4.310 603 HG11 VAL 74 HG11 VAL 74 6.847 6.507 -4.432 604 HG12 VAL 74 HG12 VAL 74 6.291 7.240 -2.913 605 HG13 VAL 74 HG13 VAL 74 6.868 5.558 -2.931 606 HG21 VAL 74 HG21 VAL 74 5.417 4.810 -5.611 607 HG22 VAL 74 HG22 VAL 74 5.376 3.770 -4.173 608 HG23 VAL 74 HG23 VAL 74 3.858 4.337 -4.908 609 H PHE 75 H PHE 75 2.950 3.357 -2.861 610 HA PHE 75 HA PHE 75 0.548 4.334 -4.152 611 HB2 PHE 75 HB1 PHE 75 1.714 2.224 -4.663 612 HB3 PHE 75 HB2 PHE 75 1.310 1.623 -3.045 613 HD1 PHE 75 HD2 PHE 75 -1.683 3.196 -4.121 614 HD2 PHE 75 HD1 PHE 75 0.822 -0.212 -4.903 615 HE1 PHE 75 HE2 PHE 75 -3.649 1.937 -4.971 616 HE2 PHE 75 HE1 PHE 75 -1.110 -1.402 -5.901 617 HZ PHE 75 HZ PHE 75 -3.339 -0.317 -5.978 618 H LEU 76 H LEU 76 1.211 2.854 -0.873 619 HA LEU 76 HA LEU 76 -1.334 3.226 0.233 620 HB2 LEU 76 HB1 LEU 76 1.447 3.454 1.404 621 HB3 LEU 76 HB2 LEU 76 -0.020 3.598 2.401 622 HG LEU 76 HG LEU 76 0.927 1.155 0.868 623 HD11 LEU 76 HD11 LEU 76 1.117 0.235 3.165 624 HD12 LEU 76 HD12 LEU 76 2.113 1.700 2.977 625 HD13 LEU 76 HD13 LEU 76 0.558 1.787 3.836 626 HD21 LEU 76 HD21 LEU 76 -1.022 -0.019 1.829 627 HD22 LEU 76 HD22 LEU 76 -1.612 1.515 2.507 628 HD23 LEU 76 HD23 LEU 76 -1.530 1.293 0.743 629 H THR 77 H THR 77 1.336 5.620 -0.001 630 HA THR 77 HA THR 77 -0.018 7.737 1.371 631 HB THR 77 HB THR 77 2.309 7.736 -0.582 632 HG1 THR 77 HG1 THR 77 3.441 7.880 1.409 633 HG21 THR 77 HG21 THR 77 2.874 9.944 0.385 634 HG22 THR 77 HG22 THR 77 1.294 9.985 -0.432 635 HG23 THR 77 HG23 THR 77 1.376 9.904 1.345 636 H MET 78 H MET 78 0.524 7.175 -2.134 637 HA MET 78 HA MET 78 -0.899 9.380 -3.153 638 HB2 MET 78 HB1 MET 78 0.644 8.066 -4.463 639 HB3 MET 78 HB2 MET 78 -0.327 6.594 -4.221 640 HG2 MET 78 HG1 MET 78 -2.015 7.330 -5.676 641 HG3 MET 78 HG2 MET 78 -1.442 9.006 -5.639 642 HE1 MET 78 HE1 MET 78 0.940 5.618 -7.763 643 HE2 MET 78 HE2 MET 78 0.938 5.885 -6.007 644 HE3 MET 78 HE3 MET 78 -0.539 5.319 -6.823 645 H LEU 79 H LEU 79 -2.046 6.080 -2.373 646 HA LEU 79 HA LEU 79 -4.744 6.496 -3.204 647 HB2 LEU 79 HB1 LEU 79 -3.697 4.306 -2.990 648 HB3 LEU 79 HB2 LEU 79 -3.511 4.548 -1.237 649 HG LEU 79 HG LEU 79 -5.896 4.506 -0.919 650 HD11 LEU 79 HD11 LEU 79 -7.499 4.043 -2.747 651 HD12 LEU 79 HD12 LEU 79 -6.648 5.580 -3.001 652 HD13 LEU 79 HD13 LEU 79 -6.173 4.135 -3.924 653 HD21 LEU 79 HD21 LEU 79 -6.351 2.159 -1.586 654 HD22 LEU 79 HD22 LEU 79 -4.995 2.227 -2.734 655 HD23 LEU 79 HD23 LEU 79 -4.688 2.351 -0.986 656 H CYS 80 H CYS 80 -3.146 6.891 0.040 657 HA CYS 80 HA CYS 80 -5.443 7.742 1.421 658 HB2 CYS 80 HB1 CYS 80 -2.975 7.251 2.173 659 HB3 CYS 80 HB2 CYS 80 -2.771 9.007 1.951 660 HG CYS 80 HG CYS 80 -3.207 8.473 4.477 661 H MET 81 H MET 81 -3.269 9.701 -0.671 662 HA MET 81 HA MET 81 -4.487 12.201 -0.141 663 HB2 MET 81 HB1 MET 81 -2.877 11.191 -2.508 664 HB3 MET 81 HB2 MET 81 -3.339 12.893 -2.264 665 HG2 MET 81 HG1 MET 81 -2.141 12.950 -0.133 666 HG3 MET 81 HG2 MET 81 -1.757 11.226 -0.269 667 HE1 MET 81 HE1 MET 81 0.192 14.771 -2.414 668 HE2 MET 81 HE2 MET 81 -1.564 14.475 -2.494 669 HE3 MET 81 HE3 MET 81 -0.787 14.799 -0.926 670 H ALA 82 H ALA 82 -5.648 9.534 -2.042 671 HA ALA 82 HA ALA 82 -7.397 11.116 -3.717 672 HB1 ALA 82 HB1 ALA 82 -8.175 8.917 -4.523 673 HB2 ALA 82 HB2 ALA 82 -6.399 9.016 -4.496 674 HB3 ALA 82 HB3 ALA 82 -7.260 8.120 -3.222 675 H TYR 83 H TYR 83 -7.675 10.313 -0.462 676 HA TYR 83 HA TYR 83 -10.454 11.252 -0.476 677 HB2 TYR 83 HB1 TYR 83 -11.111 9.566 1.248 678 HB3 TYR 83 HB2 TYR 83 -10.842 8.912 -0.377 679 HD1 TYR 83 HD1 TYR 83 -9.400 9.165 3.055 680 HD2 TYR 83 HD2 TYR 83 -9.226 7.245 -0.798 681 HE1 TYR 83 HE1 TYR 83 -7.677 7.594 3.922 682 HE2 TYR 83 HE2 TYR 83 -7.549 5.639 0.074 683 HH TYR 83 HH TYR 83 -6.208 5.067 1.848 684 H ASN 84 H ASN 84 -7.577 12.126 0.389 685 HA ASN 84 HA ASN 84 -7.916 12.618 3.235 686 HB2 ASN 84 HB1 ASN 84 -5.758 13.074 1.226 687 HB3 ASN 84 HB2 ASN 84 -5.752 14.053 2.709 688 HD21 ASN 84 HD21 ASN 84 -3.583 12.526 2.447 689 HD22 ASN 84 HD22 ASN 84 -3.646 11.109 3.483 690 H ASP 85 H ASP 85 -9.653 13.934 0.932 691 HA ASP 85 HA ASP 85 -9.553 16.691 1.468 692 HB2 ASP 85 HB1 ASP 85 -12.014 16.596 0.730 693 HB3 ASP 85 HB2 ASP 85 -10.718 16.191 -0.416 694 H PHE 86 H PHE 86 -10.640 14.163 3.620 695 HA PHE 86 HA PHE 86 -11.934 15.726 5.554 696 HB2 PHE 86 HB1 PHE 86 -9.843 13.554 5.925 697 HB3 PHE 86 HB2 PHE 86 -10.959 14.130 7.175 698 HD1 PHE 86 HD1 PHE 86 -13.565 14.069 6.353 699 HD2 PHE 86 HD2 PHE 86 -10.390 11.554 4.896 700 HE1 PHE 86 HE1 PHE 86 -15.238 12.392 5.601 701 HE2 PHE 86 HE2 PHE 86 -12.062 9.889 4.126 702 HZ PHE 86 HZ PHE 86 -14.488 10.307 4.474 703 H PHE 87 H PHE 87 -8.782 16.374 4.339 704 HA PHE 87 HA PHE 87 -8.099 17.976 6.748 705 HB2 PHE 87 HB1 PHE 87 -6.154 16.806 4.734 706 HB3 PHE 87 HB2 PHE 87 -5.765 17.613 6.262 707 HD1 PHE 87 HD2 PHE 87 -7.415 16.345 8.276 708 HD2 PHE 87 HD1 PHE 87 -5.484 14.600 4.848 709 HE1 PHE 87 HE2 PHE 87 -7.558 14.099 9.334 710 HE2 PHE 87 HE1 PHE 87 -5.630 12.360 5.903 711 HZ PHE 87 HZ PHE 87 -6.697 12.102 8.134 712 H LEU 88 H LEU 88 -9.479 18.546 3.886 713 HA LEU 88 HA LEU 88 -7.725 20.719 2.920 714 HB2 LEU 88 HB1 LEU 88 -10.244 19.342 1.991 715 HB3 LEU 88 HB2 LEU 88 -9.723 20.879 1.261 716 HG LEU 88 HG LEU 88 -9.149 18.557 0.181 717 HD11 LEU 88 HD11 LEU 88 -7.175 19.575 -0.923 718 HD12 LEU 88 HD12 LEU 88 -8.485 20.754 -0.714 719 HD13 LEU 88 HD13 LEU 88 -7.082 20.777 0.380 720 HD21 LEU 88 HD21 LEU 88 -6.842 17.757 0.615 721 HD22 LEU 88 HD22 LEU 88 -6.714 18.902 1.960 722 HD23 LEU 88 HD23 LEU 88 -7.882 17.561 2.036 723 H GLU 89 H GLU 89 -9.385 22.759 2.205 724 HA GLU 89 HA GLU 89 -11.206 23.335 4.502 725 HB2 GLU 89 HB1 GLU 89 -9.797 25.362 2.721 726 HB3 GLU 89 HB2 GLU 89 -10.862 25.721 4.103 727 HG2 GLU 89 HG1 GLU 89 -8.778 26.091 5.010 728 HG3 GLU 89 HG2 GLU 89 -9.074 24.403 5.480 729 H ASP 90 H ASP 90 -11.119 22.613 1.225 730 HA ASP 90 HA ASP 90 -13.372 23.788 0.043 731 HB2 ASP 90 HB1 ASP 90 -12.550 25.944 0.678 732 HB3 ASP 90 HB2 ASP 90 -10.904 25.551 0.134 733 H ASN 91 H ASN 91 -12.561 24.114 -2.530 734 HA ASN 91 HA ASN 91 -11.851 21.456 -3.317 735 HB2 ASN 91 HB1 ASN 91 -13.465 23.296 -4.282 736 HB3 ASN 91 HB2 ASN 91 -12.025 23.805 -5.189 737 HD21 ASN 91 HD21 ASN 91 -10.927 21.950 -6.475 738 HD22 ASN 91 HD22 ASN 91 -12.011 20.827 -7.285 739 H LYS 92 H LYS 92 -9.573 23.176 -2.018 740 HA LYS 92 HA LYS 92 -7.381 22.555 -3.807 741 HB2 LYS 92 HB1 LYS 92 -6.683 24.945 -4.060 742 HB3 LYS 92 HB2 LYS 92 -8.154 24.497 -4.956 743 HG2 LYS 92 HG1 LYS 92 -8.536 26.664 -4.083 744 HG3 LYS 92 HG2 LYS 92 -9.490 25.545 -3.079 745 HD2 LYS 92 HD1 LYS 92 -6.766 26.201 -2.101 746 HD3 LYS 92 HD2 LYS 92 -7.948 27.533 -2.099 747 HE2 LYS 92 HE1 LYS 92 -8.961 26.753 -0.264 748 HE3 LYS 92 HE2 LYS 92 -9.041 25.099 -0.910 749 HZ1 LYS 92 HZ1 LYS 92 -7.692 25.217 1.064 750 HZ2 LYS 92 HZ2 LYS 92 -6.763 24.792 -0.230 751 HZ3 LYS 92 HZ3 LYS 92 -6.687 26.326 0.369 752 HA MET 1 HA MET 1 -9.659 2.487 6.057 753 HB2 MET 1 HB1 MET 1 -10.506 3.332 8.618 754 HB3 MET 1 HB2 MET 1 -10.143 4.362 7.213 755 HG2 MET 1 HG1 MET 1 -12.365 4.826 8.188 756 HG3 MET 1 HG2 MET 1 -12.446 4.299 6.498 757 HE1 MET 1 HE1 MET 1 -15.085 2.892 9.729 758 HE2 MET 1 HE2 MET 1 -13.591 3.774 10.122 759 HE3 MET 1 HE3 MET 1 -14.752 4.461 8.961 760 H GLU 2 H GLU 2 -11.973 0.973 8.531 761 HA GLU 2 HA GLU 2 -9.601 0.590 10.124 762 HB2 GLU 2 HB1 GLU 2 -12.505 0.104 10.778 763 HB3 GLU 2 HB2 GLU 2 -11.165 -0.152 11.923 764 HG2 GLU 2 HG1 GLU 2 -11.747 2.467 10.496 765 HG3 GLU 2 HG2 GLU 2 -12.276 2.080 12.148 766 H THR 3 H THR 3 -8.549 -0.719 9.002 767 HA THR 3 HA THR 3 -8.573 -3.537 9.871 768 HB THR 3 HB THR 3 -7.704 -4.219 7.655 769 HG1 THR 3 HG1 THR 3 -8.026 -2.740 5.937 770 HG21 THR 3 HG21 THR 3 -9.819 -4.130 6.369 771 HG22 THR 3 HG22 THR 3 -10.118 -4.509 8.079 772 HG23 THR 3 HG23 THR 3 -10.421 -2.866 7.463 773 HA PRO 4 HA PRO 4 -4.973 -2.636 11.596 774 HB2 PRO 4 HB1 PRO 4 -2.857 -4.285 10.871 775 HB3 PRO 4 HB2 PRO 4 -4.272 -4.778 11.859 776 HG2 PRO 4 HG1 PRO 4 -3.869 -5.138 8.889 777 HG3 PRO 4 HG2 PRO 4 -4.447 -6.349 10.078 778 HD2 PRO 4 HD1 PRO 4 -6.194 -4.975 8.523 779 HD3 PRO 4 HD2 PRO 4 -6.568 -5.266 10.249 780 H LEU 5 H LEU 5 -4.077 -2.741 8.122 781 HA LEU 5 HA LEU 5 -1.706 -1.161 8.477 782 HB2 LEU 5 HB1 LEU 5 -2.007 -2.786 6.697 783 HB3 LEU 5 HB2 LEU 5 -3.332 -1.813 6.015 784 HG LEU 5 HG LEU 5 -1.792 -0.048 5.409 785 HD11 LEU 5 HD11 LEU 5 0.659 -0.266 5.662 786 HD12 LEU 5 HD12 LEU 5 -0.153 -0.210 7.242 787 HD13 LEU 5 HD13 LEU 5 0.425 -1.763 6.591 788 HD21 LEU 5 HD21 LEU 5 -0.511 -1.317 3.705 789 HD22 LEU 5 HD22 LEU 5 -0.785 -2.821 4.619 790 HD23 LEU 5 HD23 LEU 5 -2.161 -1.966 3.883 791 H GLU 6 H GLU 6 -5.112 -0.205 8.100 792 HA GLU 6 HA GLU 6 -4.748 2.484 7.357 793 HB2 GLU 6 HB1 GLU 6 -6.946 1.541 7.655 794 HB3 GLU 6 HB2 GLU 6 -6.627 1.228 9.378 795 HG2 GLU 6 HG1 GLU 6 -8.133 3.140 9.045 796 HG3 GLU 6 HG2 GLU 6 -6.618 3.615 9.845 797 H LYS 7 H LYS 7 -4.133 0.930 10.580 798 HA LYS 7 HA LYS 7 -4.105 3.496 11.848 799 HB2 LYS 7 HB1 LYS 7 -2.892 0.977 12.942 800 HB3 LYS 7 HB2 LYS 7 -3.425 2.419 13.838 801 HG2 LYS 7 HG1 LYS 7 -5.025 0.198 12.630 802 HG3 LYS 7 HG2 LYS 7 -5.114 0.919 14.254 803 HD2 LYS 7 HD1 LYS 7 -6.299 1.977 11.685 804 HD3 LYS 7 HD2 LYS 7 -7.154 1.355 13.116 805 HE2 LYS 7 HE1 LYS 7 -6.392 3.317 14.412 806 HE3 LYS 7 HE2 LYS 7 -5.561 3.941 12.970 807 HZ1 LYS 7 HZ1 LYS 7 -7.733 4.908 13.232 808 HZ2 LYS 7 HZ2 LYS 7 -7.683 4.002 11.854 809 HZ3 LYS 7 HZ3 LYS 7 -8.454 3.423 13.192 810 H ALA 8 H ALA 8 -1.634 1.869 10.017 811 HA ALA 8 HA ALA 8 0.546 3.554 10.815 812 HB1 ALA 8 HB1 ALA 8 1.553 2.776 8.693 813 HB2 ALA 8 HB2 ALA 8 0.825 1.426 9.597 814 HB3 ALA 8 HB3 ALA 8 -0.021 2.115 8.190 815 H LEU 9 H LEU 9 -1.790 3.831 8.044 816 HA LEU 9 HA LEU 9 -0.755 6.294 7.051 817 HB2 LEU 9 HB1 LEU 9 -3.359 4.816 6.739 818 HB3 LEU 9 HB2 LEU 9 -3.180 6.466 6.093 819 HG LEU 9 HG LEU 9 -2.878 4.807 4.365 820 HD11 LEU 9 HD11 LEU 9 -0.708 5.555 3.443 821 HD12 LEU 9 HD12 LEU 9 -1.610 6.900 4.174 822 HD13 LEU 9 HD13 LEU 9 -0.244 6.163 5.046 823 HD21 LEU 9 HD21 LEU 9 -0.976 3.235 4.334 824 HD22 LEU 9 HD22 LEU 9 -0.518 3.768 5.965 825 HD23 LEU 9 HD23 LEU 9 -2.064 2.925 5.705 826 H THR 10 H THR 10 -3.650 5.642 9.102 827 HA THR 10 HA THR 10 -4.470 8.148 9.870 828 HB THR 10 HB THR 10 -4.127 5.619 11.495 829 HG1 THR 10 HG1 THR 10 -6.408 5.539 11.180 830 HG21 THR 10 HG21 THR 10 -5.757 6.554 13.128 831 HG22 THR 10 HG22 THR 10 -4.276 7.531 13.067 832 HG23 THR 10 HG23 THR 10 -5.748 8.091 12.238 833 H THR 11 H THR 11 -1.721 6.340 11.442 834 HA THR 11 HA THR 11 -0.943 8.447 13.172 835 HB THR 11 HB THR 11 0.828 6.315 11.942 836 HG1 THR 11 HG1 THR 11 0.321 5.250 13.921 837 HG21 THR 11 HG21 THR 11 2.198 6.637 13.995 838 HG22 THR 11 HG22 THR 11 2.102 8.139 13.050 839 HG23 THR 11 HG23 THR 11 1.105 7.940 14.511 840 H MET 12 H MET 12 0.373 7.629 9.890 841 HA MET 12 HA MET 12 2.242 9.733 9.816 842 HB2 MET 12 HB1 MET 12 0.825 8.162 7.655 843 HB3 MET 12 HB2 MET 12 2.000 9.440 7.264 844 HG2 MET 12 HG1 MET 12 3.719 8.250 8.582 845 HG3 MET 12 HG2 MET 12 2.549 6.973 8.956 846 HE1 MET 12 HE1 MET 12 5.479 6.125 6.068 847 HE2 MET 12 HE2 MET 12 5.526 7.608 7.051 848 HE3 MET 12 HE3 MET 12 5.208 6.037 7.825 849 H VAL 13 H VAL 13 -1.216 9.789 8.786 850 HA VAL 13 HA VAL 13 -0.999 12.492 7.795 851 HB VAL 13 HB VAL 13 -3.405 12.560 7.656 852 HG11 VAL 13 HG11 VAL 13 -3.721 10.780 5.967 853 HG12 VAL 13 HG12 VAL 13 -2.126 11.550 5.823 854 HG13 VAL 13 HG13 VAL 13 -2.279 9.948 6.587 855 HG21 VAL 13 HG21 VAL 13 -4.863 10.642 8.161 856 HG22 VAL 13 HG22 VAL 13 -3.478 9.792 8.870 857 HG23 VAL 13 HG23 VAL 13 -4.085 11.289 9.619 858 H THR 14 H THR 14 -1.839 11.083 10.941 859 HA THR 14 HA THR 14 -2.830 13.459 12.191 860 HB THR 14 HB THR 14 -1.570 10.960 13.376 861 HG1 THR 14 HG1 THR 14 -3.796 10.467 13.715 862 HG21 THR 14 HG21 THR 14 -2.762 11.571 15.470 863 HG22 THR 14 HG22 THR 14 -1.572 12.813 15.025 864 HG23 THR 14 HG23 THR 14 -3.303 13.083 14.711 865 H THR 15 H THR 15 0.452 11.979 12.087 866 HA THR 15 HA THR 15 1.677 14.041 13.674 867 HB THR 15 HB THR 15 3.811 13.077 12.735 868 HG1 THR 15 HG1 THR 15 3.526 11.117 11.593 869 HG21 THR 15 HG21 THR 15 3.615 10.921 13.932 870 HG22 THR 15 HG22 THR 15 2.857 12.242 14.848 871 HG23 THR 15 HG23 THR 15 1.847 11.092 13.938 872 H PHE 16 H PHE 16 1.626 13.443 10.091 873 HA PHE 16 HA PHE 16 3.235 15.662 9.409 874 HB2 PHE 16 HB1 PHE 16 2.678 13.764 7.948 875 HB3 PHE 16 HB2 PHE 16 1.005 14.339 7.846 876 HD1 PHE 16 HD2 PHE 16 0.534 16.570 6.732 877 HD2 PHE 16 HD1 PHE 16 4.374 14.637 6.512 878 HE1 PHE 16 HE2 PHE 16 1.108 17.919 4.731 879 HE2 PHE 16 HE1 PHE 16 4.874 15.866 4.411 880 HZ PHE 16 HZ PHE 16 3.231 17.504 3.510 881 H HIS 17 H HIS 17 -0.381 15.499 9.738 882 HA HIS 17 HA HIS 17 -0.844 18.211 9.031 883 HB2 HIS 17 HB1 HIS 17 -2.510 16.355 9.177 884 HB3 HIS 17 HB2 HIS 17 -2.444 16.495 10.943 885 HD1 HIS 17 HD1 HIS 17 -3.055 19.296 11.690 886 HD2 HIS 17 HD2 HIS 17 -4.515 17.606 8.142 887 HE1 HIS 17 HE1 HIS 17 -5.120 20.647 11.047 888 HE2 HIS 17 HE2 HIS 17 -6.040 19.634 8.874 889 H LYS 18 H LYS 18 0.475 16.920 12.047 890 HA LYS 18 HA LYS 18 -0.058 19.313 13.583 891 HB2 LYS 18 HB1 LYS 18 0.094 17.060 14.533 892 HB3 LYS 18 HB2 LYS 18 1.820 17.000 14.104 893 HG2 LYS 18 HG1 LYS 18 1.017 19.290 15.807 894 HG3 LYS 18 HG2 LYS 18 0.866 17.684 16.558 895 HD2 LYS 18 HD1 LYS 18 3.203 17.188 16.066 896 HD3 LYS 18 HD2 LYS 18 3.374 18.724 15.183 897 HE2 LYS 18 HE1 LYS 18 2.800 19.912 17.352 898 HE3 LYS 18 HE2 LYS 18 2.935 18.337 18.165 899 HZ1 LYS 18 HZ1 LYS 18 4.991 19.558 18.250 900 HZ2 LYS 18 HZ2 LYS 18 5.187 18.184 17.357 901 HZ3 LYS 18 HZ3 LYS 18 5.064 19.645 16.603 902 H TYR 19 H TYR 19 2.238 18.806 11.072 903 HA TYR 19 HA TYR 19 3.701 21.212 12.020 904 HB2 TYR 19 HB1 TYR 19 4.963 18.925 10.490 905 HB3 TYR 19 HB2 TYR 19 5.773 20.394 11.062 906 HD1 TYR 19 HD2 TYR 19 4.087 17.293 12.133 907 HD2 TYR 19 HD1 TYR 19 6.685 20.491 13.344 908 HE1 TYR 19 HE2 TYR 19 4.776 15.951 14.093 909 HE2 TYR 19 HE1 TYR 19 7.261 19.226 15.415 910 HH TYR 19 HH TYR 19 5.906 15.952 16.072 911 H SER 20 H SER 20 2.222 19.607 9.205 912 HA SER 20 HA SER 20 2.807 21.842 7.421 913 HB2 SER 20 HB1 SER 20 0.906 20.794 6.085 914 HB3 SER 20 HB2 SER 20 2.329 19.764 6.377 915 HG SER 20 HG SER 20 0.342 18.660 6.745 916 H GLY 21 H GLY 21 -0.083 20.779 9.274 917 HA2 GLY 21 HA2 GLY 21 -0.890 23.246 8.810 918 H ARG 22 H ARG 22 1.006 23.422 10.360 919 HA ARG 22 HA ARG 22 0.190 25.476 12.187 920 HB2 ARG 22 HB1 ARG 22 2.584 25.131 10.345 921 HB3 ARG 22 HB2 ARG 22 2.439 26.437 11.547 922 HG2 ARG 22 HG1 ARG 22 2.680 24.922 13.352 923 HG3 ARG 22 HG2 ARG 22 2.508 23.510 12.281 924 HD2 ARG 22 HD1 ARG 22 4.897 24.456 13.159 925 HD3 ARG 22 HD2 ARG 22 4.685 23.565 11.636 926 HE ARG 22 HE ARG 22 4.379 26.398 11.261 927 HH11 ARG 22 HH12 ARG 22 7.083 24.370 12.183 928 HH12 ARG 22 HH11 ARG 22 8.173 25.117 11.044 929 HH21 ARG 22 HH22 ARG 22 5.734 27.102 9.561 930 HH22 ARG 22 HH21 ARG 22 7.419 26.638 9.584 931 H GLU 23 H GLU 23 0.672 25.365 8.638 932 HA GLU 23 HA GLU 23 -0.043 28.242 8.392 933 HB2 GLU 23 HB1 GLU 23 2.220 26.640 7.239 934 HB3 GLU 23 HB2 GLU 23 1.538 27.972 6.273 935 HG2 GLU 23 HG1 GLU 23 2.830 29.401 7.402 936 HG3 GLU 23 HG2 GLU 23 1.921 29.012 8.878 937 H GLY 24 H GLY 24 -0.219 28.447 5.641 938 HA2 GLY 24 HA2 GLY 24 -2.381 26.928 5.498 939 H SER 25 H SER 25 -0.717 25.456 4.991 940 HA SER 25 HA SER 25 -2.272 24.064 2.902 941 HB2 SER 25 HB1 SER 25 -0.225 24.777 1.731 942 HB3 SER 25 HB2 SER 25 0.772 24.062 3.021 943 HG SER 25 HG SER 25 0.513 22.654 1.212 944 H LYS 26 H LYS 26 -3.133 22.328 3.965 945 HA LYS 26 HA LYS 26 -1.670 21.273 6.304 946 HB2 LYS 26 HB1 LYS 26 -4.469 20.605 5.359 947 HB3 LYS 26 HB2 LYS 26 -3.741 20.230 6.940 948 HG2 LYS 26 HG1 LYS 26 -3.337 22.851 7.018 949 HG3 LYS 26 HG2 LYS 26 -4.658 22.879 5.825 950 HD2 LYS 26 HD1 LYS 26 -4.765 21.842 8.666 951 HD3 LYS 26 HD2 LYS 26 -5.553 23.297 8.013 952 HE2 LYS 26 HE1 LYS 26 -6.188 20.498 7.042 953 HE3 LYS 26 HE2 LYS 26 -7.050 21.279 8.386 954 HZ1 LYS 26 HZ1 LYS 26 -8.187 21.575 6.308 955 HZ2 LYS 26 HZ2 LYS 26 -7.671 23.030 6.884 956 HZ3 LYS 26 HZ3 LYS 26 -6.870 22.305 5.637 957 H LEU 27 H LEU 27 -1.266 20.756 3.193 958 HA LEU 27 HA LEU 27 -0.766 17.840 3.411 959 HB2 LEU 27 HB1 LEU 27 -1.745 19.429 1.019 960 HB3 LEU 27 HB2 LEU 27 -1.212 17.731 0.953 961 HG LEU 27 HG LEU 27 -3.656 18.843 2.365 962 HD11 LEU 27 HD11 LEU 27 -4.847 17.401 0.720 963 HD12 LEU 27 HD12 LEU 27 -3.802 18.581 -0.104 964 HD13 LEU 27 HD13 LEU 27 -3.283 16.884 0.047 965 HD21 LEU 27 HD21 LEU 27 -4.256 16.499 2.926 966 HD22 LEU 27 HD22 LEU 27 -2.703 15.953 2.265 967 HD23 LEU 27 HD23 LEU 27 -2.741 16.983 3.716 968 H THR 28 H THR 28 0.665 20.949 2.632 969 HA THR 28 HA THR 28 3.189 19.513 2.017 970 HB THR 28 HB THR 28 3.992 21.443 0.745 971 HG1 THR 28 HG1 THR 28 2.454 22.990 0.021 972 HG21 THR 28 HG21 THR 28 2.645 21.083 -1.303 973 HG22 THR 28 HG22 THR 28 2.961 19.553 -0.457 974 HG23 THR 28 HG23 THR 28 1.368 20.336 -0.320 975 H LEU 29 H LEU 29 5.140 20.821 2.634 976 HA LEU 29 HA LEU 29 5.016 22.893 4.614 977 HB2 LEU 29 HB1 LEU 29 5.703 21.798 6.556 978 HB3 LEU 29 HB2 LEU 29 4.303 20.894 5.932 979 HG LEU 29 HG LEU 29 7.198 20.048 6.039 980 HD11 LEU 29 HD11 LEU 29 6.228 18.148 7.333 981 HD12 LEU 29 HD12 LEU 29 5.786 19.709 8.060 982 HD13 LEU 29 HD13 LEU 29 4.599 18.815 7.081 983 HD21 LEU 29 HD21 LEU 29 6.577 17.928 4.920 984 HD22 LEU 29 HD22 LEU 29 4.945 18.566 4.636 985 HD23 LEU 29 HD23 LEU 29 6.349 19.320 3.843 986 H SER 30 H SER 30 7.461 23.408 5.395 987 HA SER 30 HA SER 30 8.996 23.318 2.935 988 HB2 SER 30 HB1 SER 30 10.557 24.751 4.020 989 HB3 SER 30 HB2 SER 30 8.947 25.238 4.600 990 HG SER 30 HG SER 30 10.471 25.002 6.301 991 H ARG 31 H ARG 31 11.402 22.667 2.858 992 HA ARG 31 HA ARG 31 11.817 20.055 3.898 993 HB2 ARG 31 HB1 ARG 31 14.300 21.482 3.478 994 HB3 ARG 31 HB2 ARG 31 13.687 19.961 2.787 995 HG2 ARG 31 HG1 ARG 31 13.020 22.677 1.702 996 HG3 ARG 31 HG2 ARG 31 14.438 21.727 1.202 997 HD2 ARG 31 HD1 ARG 31 11.575 20.857 0.816 998 HD3 ARG 31 HD2 ARG 31 12.543 21.724 -0.395 999 HE ARG 31 HE ARG 31 14.002 19.446 0.301 1000 HH11 ARG 31 HH12 ARG 31 10.997 20.176 -1.474 1001 HH12 ARG 31 HH11 ARG 31 10.970 18.622 -2.254 1002 HH21 ARG 31 HH22 ARG 31 13.757 17.404 -0.640 1003 HH22 ARG 31 HH21 ARG 31 12.483 17.107 -1.794 1004 H LYS 32 H LYS 32 12.473 23.243 5.410 1005 HA LYS 32 HA LYS 32 13.849 22.253 7.696 1006 HB2 LYS 32 HB1 LYS 32 12.049 24.648 7.293 1007 HB3 LYS 32 HB2 LYS 32 12.843 24.292 8.845 1008 HG2 LYS 32 HG1 LYS 32 15.055 24.316 7.672 1009 HG3 LYS 32 HG2 LYS 32 14.222 24.787 6.173 1010 HD2 LYS 32 HD1 LYS 32 13.415 26.835 7.183 1011 HD3 LYS 32 HD2 LYS 32 14.005 26.332 8.785 1012 HE2 LYS 32 HE1 LYS 32 15.601 27.892 7.990 1013 HE3 LYS 32 HE2 LYS 32 16.343 26.295 7.755 1014 HZ1 LYS 32 HZ1 LYS 32 16.636 27.699 5.847 1015 HZ2 LYS 32 HZ2 LYS 32 15.695 26.402 5.460 1016 HZ3 LYS 32 HZ3 LYS 32 15.007 27.885 5.676 1017 H GLU 33 H GLU 33 10.305 22.499 7.057 1018 HA GLU 33 HA GLU 33 9.537 21.647 9.672 1019 HB2 GLU 33 HB1 GLU 33 8.175 22.005 7.049 1020 HB3 GLU 33 HB2 GLU 33 7.386 20.942 8.238 1021 HG2 GLU 33 HG1 GLU 33 6.539 23.237 8.390 1022 HG3 GLU 33 HG2 GLU 33 7.384 22.762 9.880 1023 H LEU 34 H LEU 34 9.958 19.721 6.589 1024 HA LEU 34 HA LEU 34 9.088 17.263 7.701 1025 HB2 LEU 34 HB1 LEU 34 9.463 17.559 5.309 1026 HB3 LEU 34 HB2 LEU 34 11.207 17.784 5.584 1027 HG LEU 34 HG LEU 34 11.325 15.469 6.485 1028 HD11 LEU 34 HD11 LEU 34 9.452 13.891 6.117 1029 HD12 LEU 34 HD12 LEU 34 8.982 15.218 7.201 1030 HD13 LEU 34 HD13 LEU 34 8.458 15.228 5.500 1031 HD21 LEU 34 HD21 LEU 34 11.113 14.237 4.348 1032 HD22 LEU 34 HD22 LEU 34 10.154 15.575 3.682 1033 HD23 LEU 34 HD23 LEU 34 11.863 15.830 4.110 1034 H LYS 35 H LYS 35 12.341 18.796 7.768 1035 HA LYS 35 HA LYS 35 13.682 16.732 9.156 1036 HB2 LYS 35 HB1 LYS 35 15.028 18.366 8.181 1037 HB3 LYS 35 HB2 LYS 35 14.067 19.706 8.855 1038 HG2 LYS 35 HG1 LYS 35 14.918 19.238 11.094 1039 HG3 LYS 35 HG2 LYS 35 15.801 17.816 10.490 1040 HD2 LYS 35 HD1 LYS 35 16.325 20.607 9.440 1041 HD3 LYS 35 HD2 LYS 35 17.159 19.954 10.870 1042 HE2 LYS 35 HE1 LYS 35 17.805 17.950 9.418 1043 HE3 LYS 35 HE2 LYS 35 17.215 18.880 8.025 1044 HZ1 LYS 35 HZ1 LYS 35 19.559 19.166 8.356 1045 HZ2 LYS 35 HZ2 LYS 35 18.775 20.599 8.592 1046 HZ3 LYS 35 HZ3 LYS 35 19.322 19.736 9.886 1047 H GLU 36 H GLU 36 11.704 19.438 10.485 1048 HA GLU 36 HA GLU 36 12.288 18.858 13.234 1049 HB2 GLU 36 HB1 GLU 36 11.500 21.029 12.516 1050 HB3 GLU 36 HB2 GLU 36 10.005 20.316 11.865 1051 HG2 GLU 36 HG1 GLU 36 9.472 21.400 13.920 1052 HG3 GLU 36 HG2 GLU 36 9.380 19.646 14.182 1053 H LEU 37 H LEU 37 9.511 18.037 11.131 1054 HA LEU 37 HA LEU 37 7.887 16.559 12.813 1055 HB2 LEU 37 HB1 LEU 37 7.181 17.237 10.673 1056 HB3 LEU 37 HB2 LEU 37 8.564 16.453 9.872 1057 HG LEU 37 HG LEU 37 7.574 14.256 10.324 1058 HD11 LEU 37 HD11 LEU 37 5.203 14.035 11.015 1059 HD12 LEU 37 HD12 LEU 37 6.187 14.755 12.304 1060 HD13 LEU 37 HD13 LEU 37 5.134 15.785 11.303 1061 HD21 LEU 37 HD21 LEU 37 5.708 14.447 8.682 1062 HD22 LEU 37 HD22 LEU 37 5.665 16.204 8.945 1063 HD23 LEU 37 HD23 LEU 37 7.092 15.449 8.197 1064 H ILE 38 H ILE 38 10.556 15.177 10.772 1065 HA ILE 38 HA ILE 38 10.074 12.530 11.713 1066 HB ILE 38 HB ILE 38 12.397 13.773 10.225 1067 HG12 ILE 38 HG13 ILE 38 10.071 11.984 9.411 1068 HG13 ILE 38 HG12 ILE 38 10.212 13.731 9.094 1069 HG21 ILE 38 HG21 ILE 38 13.167 11.474 9.722 1070 HG22 ILE 38 HG22 ILE 38 13.245 11.814 11.467 1071 HG23 ILE 38 HG23 ILE 38 11.922 10.819 10.812 1072 HD11 ILE 38 HD11 ILE 38 10.737 12.411 7.066 1073 HD12 ILE 38 HD12 ILE 38 12.157 13.309 7.640 1074 HD13 ILE 38 HD13 ILE 38 12.016 11.563 7.957 1075 H LYS 39 H LYS 39 12.518 14.950 12.842 1076 HA LYS 39 HA LYS 39 13.733 13.138 14.715 1077 HB2 LYS 39 HB1 LYS 39 13.805 16.095 14.142 1078 HB3 LYS 39 HB2 LYS 39 14.616 15.441 15.585 1079 HG2 LYS 39 HG1 LYS 39 15.144 14.302 12.841 1080 HG3 LYS 39 HG2 LYS 39 15.985 15.763 13.408 1081 HD2 LYS 39 HD1 LYS 39 16.877 14.461 15.346 1082 HD3 LYS 39 HD2 LYS 39 16.095 13.000 14.694 1083 HE2 LYS 39 HE1 LYS 39 17.438 13.075 12.689 1084 HE3 LYS 39 HE2 LYS 39 18.057 14.691 13.091 1085 HZ1 LYS 39 HZ1 LYS 39 19.671 12.985 13.536 1086 HZ2 LYS 39 HZ2 LYS 39 19.217 13.716 14.941 1087 HZ3 LYS 39 HZ3 LYS 39 18.642 12.216 14.568 1088 H LYS 40 H LYS 40 10.699 14.731 14.921 1089 HA LYS 40 HA LYS 40 10.602 14.297 17.858 1090 HB2 LYS 40 HB1 LYS 40 9.063 15.912 15.851 1091 HB3 LYS 40 HB2 LYS 40 8.211 15.339 17.305 1092 HG2 LYS 40 HG1 LYS 40 8.957 17.513 17.782 1093 HG3 LYS 40 HG2 LYS 40 10.027 16.402 18.667 1094 HD2 LYS 40 HD1 LYS 40 11.791 16.756 16.982 1095 HD3 LYS 40 HD2 LYS 40 10.720 17.866 16.095 1096 HE2 LYS 40 HE1 LYS 40 10.522 19.290 18.101 1097 HE3 LYS 40 HE2 LYS 40 11.566 18.172 19.006 1098 HZ1 LYS 40 HZ1 LYS 40 12.779 20.061 18.196 1099 HZ2 LYS 40 HZ2 LYS 40 13.330 18.683 17.478 1100 HZ3 LYS 40 HZ3 LYS 40 12.361 19.721 16.637 1101 H GLU 41 H GLU 41 9.321 13.101 14.786 1102 HA GLU 41 HA GLU 41 7.361 11.296 15.879 1103 HB2 GLU 41 HB1 GLU 41 8.834 11.601 13.259 1104 HB3 GLU 41 HB2 GLU 41 7.777 10.199 13.557 1105 HG2 GLU 41 HG1 GLU 41 5.917 11.844 14.061 1106 HG3 GLU 41 HG2 GLU 41 6.992 13.129 13.471 1107 H LEU 42 H LEU 42 10.815 11.009 15.074 1108 HA LEU 42 HA LEU 42 10.909 8.395 16.481 1109 HB2 LEU 42 HB1 LEU 42 11.951 9.163 13.774 1110 HB3 LEU 42 HB2 LEU 42 12.980 8.125 14.789 1111 HG LEU 42 HG LEU 42 10.067 7.468 14.293 1112 HD11 LEU 42 HD11 LEU 42 10.795 5.995 12.430 1113 HD12 LEU 42 HD12 LEU 42 11.159 7.700 12.080 1114 HD13 LEU 42 HD13 LEU 42 12.458 6.601 12.604 1115 HD21 LEU 42 HD21 LEU 42 10.825 5.156 14.776 1116 HD22 LEU 42 HD22 LEU 42 12.491 5.747 14.973 1117 HD23 LEU 42 HD23 LEU 42 11.223 6.256 16.115 1118 H CYS 43 H CYS 43 12.479 8.238 17.998 1119 HA CYS 43 HA CYS 43 14.537 10.309 18.228 1120 HB2 CYS 43 HB1 CYS 43 13.434 8.747 20.076 1121 HB3 CYS 43 HB2 CYS 43 14.766 7.661 19.608 1122 HG CYS 43 HG CYS 43 15.446 9.039 21.729 1123 H LEU 44 H LEU 44 16.403 10.349 17.249 1124 HA LEU 44 HA LEU 44 17.827 8.005 16.289 1125 HB2 LEU 44 HB1 LEU 44 16.327 9.758 14.443 1126 HB3 LEU 44 HB2 LEU 44 18.043 9.531 14.025 1127 HG LEU 44 HG LEU 44 16.070 7.262 14.514 1128 HD11 LEU 44 HD11 LEU 44 16.103 7.046 12.039 1129 HD12 LEU 44 HD12 LEU 44 15.495 8.645 12.531 1130 HD13 LEU 44 HD13 LEU 44 17.161 8.473 11.928 1131 HD21 LEU 44 HD21 LEU 44 17.793 5.848 13.418 1132 HD22 LEU 44 HD22 LEU 44 18.866 7.260 13.289 1133 HD23 LEU 44 HD23 LEU 44 18.434 6.612 14.890 1134 H GLY 45 H GLY 45 19.429 8.452 17.529 1135 HA2 GLY 45 HA2 GLY 45 21.286 9.468 16.990 1136 H GLU 46 H GLU 46 21.013 7.476 17.670 1137 HA GLU 46 HA GLU 46 22.752 6.900 19.887 1138 HB2 GLU 46 HB1 GLU 46 21.141 6.099 21.462 1139 HB3 GLU 46 HB2 GLU 46 20.743 7.784 21.050 1140 HG2 GLU 46 HG1 GLU 46 19.307 5.291 20.092 1141 HG3 GLU 46 HG2 GLU 46 18.720 6.470 21.285 1142 H MET 47 H MET 47 20.311 5.826 17.560 1143 HA MET 47 HA MET 47 21.472 3.128 17.378 1144 HB2 MET 47 HB1 MET 47 19.170 4.462 15.913 1145 HB3 MET 47 HB2 MET 47 19.653 2.757 15.756 1146 HG2 MET 47 HG1 MET 47 19.157 2.389 18.136 1147 HG3 MET 47 HG2 MET 47 18.702 4.093 18.315 1148 HE1 MET 47 HE1 MET 47 15.555 4.452 16.166 1149 HE2 MET 47 HE2 MET 47 16.685 5.219 17.313 1150 HE3 MET 47 HE3 MET 47 17.249 4.742 15.693 1151 H LYS 48 H LYS 48 20.831 3.130 14.416 1152 HA LYS 48 HA LYS 48 23.374 3.712 13.348 1153 HB2 LYS 48 HB1 LYS 48 20.721 2.850 12.384 1154 HB3 LYS 48 HB2 LYS 48 21.703 3.702 11.167 1155 HG2 LYS 48 HG1 LYS 48 22.195 1.388 10.920 1156 HG3 LYS 48 HG2 LYS 48 23.596 2.116 11.742 1157 HD2 LYS 48 HD1 LYS 48 23.239 0.036 12.800 1158 HD3 LYS 48 HD2 LYS 48 22.604 1.263 13.920 1159 HE2 LYS 48 HE1 LYS 48 20.940 -0.320 14.028 1160 HE3 LYS 48 HE2 LYS 48 20.315 0.728 12.737 1161 HZ1 LYS 48 HZ1 LYS 48 20.139 -1.587 12.168 1162 HZ2 LYS 48 HZ2 LYS 48 21.181 -0.828 11.144 1163 HZ3 LYS 48 HZ3 LYS 48 21.762 -1.799 12.344 1164 H GLU 49 H GLU 49 24.314 5.399 12.412 1165 HA GLU 49 HA GLU 49 22.968 8.061 12.585 1166 HB2 GLU 49 HB1 GLU 49 24.896 6.999 14.228 1167 HB3 GLU 49 HB2 GLU 49 25.904 7.794 12.995 1168 HG2 GLU 49 HG1 GLU 49 23.791 9.139 14.709 1169 HG3 GLU 49 HG2 GLU 49 25.550 9.237 14.942 1170 H SER 50 H SER 50 23.919 9.721 11.098 1171 HA SER 50 HA SER 50 25.545 10.711 9.912 1172 HB2 SER 50 HB1 SER 50 26.893 8.034 9.525 1173 HB3 SER 50 HB2 SER 50 27.586 9.649 9.238 1174 HG SER 50 HG SER 50 28.269 8.727 11.229 1175 H SER 51 H SER 51 25.150 7.507 8.251 1176 HA SER 51 HA SER 51 24.293 8.580 5.759 1177 HB2 SER 51 HB1 SER 51 23.348 6.018 7.106 1178 HB3 SER 51 HB2 SER 51 23.347 6.380 5.363 1179 HG SER 51 HG SER 51 25.108 5.040 5.992 1180 H ILE 52 H ILE 52 22.706 8.564 8.871 1181 HA ILE 52 HA ILE 52 20.083 9.105 7.717 1182 HB ILE 52 HB ILE 52 19.212 9.273 9.875 1183 HG12 ILE 52 HG13 ILE 52 20.904 8.889 11.891 1184 HG13 ILE 52 HG12 ILE 52 21.988 9.814 10.824 1185 HG21 ILE 52 HG21 ILE 52 19.900 7.112 10.887 1186 HG22 ILE 52 HG22 ILE 52 19.794 7.000 9.117 1187 HG23 ILE 52 HG23 ILE 52 21.382 7.135 9.907 1188 HD11 ILE 52 HD11 ILE 52 20.840 11.304 12.437 1189 HD12 ILE 52 HD12 ILE 52 20.355 11.662 10.767 1190 HD13 ILE 52 HD13 ILE 52 19.270 10.737 11.833 1191 H ASP 53 H ASP 53 22.905 11.060 8.518 1192 HA ASP 53 HA ASP 53 21.267 13.454 8.482 1193 HB2 ASP 53 HB1 ASP 53 23.299 13.544 9.839 1194 HB3 ASP 53 HB2 ASP 53 24.286 13.377 8.370 1195 H ASP 54 H ASP 54 23.363 11.807 5.859 1196 HA ASP 54 HA ASP 54 23.104 14.177 4.291 1197 HB2 ASP 54 HB1 ASP 54 24.737 12.376 3.728 1198 HB3 ASP 54 HB2 ASP 54 23.386 11.463 3.020 1199 H LEU 55 H LEU 55 20.793 11.558 4.786 1200 HA LEU 55 HA LEU 55 18.876 12.402 2.867 1201 HB2 LEU 55 HB1 LEU 55 18.420 11.236 5.627 1202 HB3 LEU 55 HB2 LEU 55 17.223 11.323 4.312 1203 HG LEU 55 HG LEU 55 19.751 9.650 4.403 1204 HD11 LEU 55 HD11 LEU 55 18.146 7.765 4.282 1205 HD12 LEU 55 HD12 LEU 55 17.828 8.792 5.698 1206 HD13 LEU 55 HD13 LEU 55 16.793 8.919 4.257 1207 HD21 LEU 55 HD21 LEU 55 19.103 8.757 2.189 1208 HD22 LEU 55 HD22 LEU 55 17.759 9.918 2.118 1209 HD23 LEU 55 HD23 LEU 55 19.441 10.500 2.111 1210 H MET 56 H MET 56 19.205 13.440 6.326 1211 HA MET 56 HA MET 56 17.238 15.506 6.202 1212 HB2 MET 56 HB1 MET 56 19.636 15.015 8.010 1213 HB3 MET 56 HB2 MET 56 18.422 16.284 8.306 1214 HG2 MET 56 HG1 MET 56 17.756 13.342 7.995 1215 HG3 MET 56 HG2 MET 56 18.047 14.123 9.557 1216 HE1 MET 56 HE1 MET 56 14.525 14.261 10.415 1217 HE2 MET 56 HE2 MET 56 15.729 12.978 10.130 1218 HE3 MET 56 HE3 MET 56 16.211 14.478 10.958 1219 H LYS 57 H LYS 57 20.640 15.482 5.437 1220 HA LYS 57 HA LYS 57 21.129 18.281 5.143 1221 HB2 LYS 57 HB1 LYS 57 22.733 16.306 5.499 1222 HB3 LYS 57 HB2 LYS 57 22.501 15.949 3.771 1223 HG2 LYS 57 HG1 LYS 57 24.606 17.179 4.387 1224 HG3 LYS 57 HG2 LYS 57 23.609 17.920 3.111 1225 HD2 LYS 57 HD1 LYS 57 24.363 19.665 4.522 1226 HD3 LYS 57 HD2 LYS 57 22.632 19.419 4.854 1227 HE2 LYS 57 HE1 LYS 57 24.850 18.292 6.589 1228 HE3 LYS 57 HE2 LYS 57 24.093 19.877 6.867 1229 HZ1 LYS 57 HZ1 LYS 57 23.121 18.174 8.229 1230 HZ2 LYS 57 HZ2 LYS 57 22.009 18.753 7.163 1231 HZ3 LYS 57 HZ3 LYS 57 22.713 17.284 6.905 1232 H SER 58 H SER 58 20.224 15.661 2.960 1233 HA SER 58 HA SER 58 19.717 17.255 0.672 1234 HB2 SER 58 HB1 SER 58 18.693 14.511 1.395 1235 HB3 SER 58 HB2 SER 58 18.478 15.300 -0.186 1236 HG SER 58 HG SER 58 20.384 14.002 -0.090 1237 H LEU 59 H LEU 59 17.969 17.354 3.601 1238 HA LEU 59 HA LEU 59 15.673 18.646 2.223 1239 HB2 LEU 59 HB1 LEU 59 16.234 18.380 5.196 1240 HB3 LEU 59 HB2 LEU 59 14.703 18.855 4.421 1241 HG LEU 59 HG LEU 59 16.007 16.111 4.382 1242 HD11 LEU 59 HD11 LEU 59 13.978 15.455 5.634 1243 HD12 LEU 59 HD12 LEU 59 14.881 16.729 6.487 1244 HD13 LEU 59 HD13 LEU 59 13.402 17.138 5.584 1245 HD21 LEU 59 HD21 LEU 59 14.030 15.345 3.115 1246 HD22 LEU 59 HD22 LEU 59 13.442 17.020 3.022 1247 HD23 LEU 59 HD23 LEU 59 14.953 16.559 2.203 1248 H ASP 60 H ASP 60 18.347 19.401 4.523 1249 HA ASP 60 HA ASP 60 18.285 22.171 4.542 1250 HB2 ASP 60 HB1 ASP 60 20.650 20.279 4.398 1251 HB3 ASP 60 HB2 ASP 60 20.783 22.009 4.777 1252 H LYS 61 H LYS 61 19.454 20.099 1.951 1253 HA LYS 61 HA LYS 61 21.111 21.638 0.368 1254 HB2 LYS 61 HB1 LYS 61 19.919 19.149 0.405 1255 HB3 LYS 61 HB2 LYS 61 19.197 19.887 -1.044 1256 HG2 LYS 61 HG1 LYS 61 20.927 18.499 -1.759 1257 HG3 LYS 61 HG2 LYS 61 21.484 20.179 -1.951 1258 HD2 LYS 61 HD1 LYS 61 23.309 18.795 -1.326 1259 HD3 LYS 61 HD2 LYS 61 22.926 19.923 -0.003 1260 HE2 LYS 61 HE1 LYS 61 23.516 18.041 1.137 1261 HE3 LYS 61 HE2 LYS 61 21.747 17.888 1.074 1262 HZ1 LYS 61 HZ1 LYS 61 22.833 15.791 0.699 1263 HZ2 LYS 61 HZ2 LYS 61 22.012 16.260 -0.644 1264 HZ3 LYS 61 HZ3 LYS 61 23.655 16.402 -0.585 1265 H ASN 62 H ASN 62 17.611 21.836 0.577 1266 HA ASN 62 HA ASN 62 17.501 24.144 -1.260 1267 HB2 ASN 62 HB1 ASN 62 16.024 21.516 -1.563 1268 HB3 ASN 62 HB2 ASN 62 15.353 23.028 -2.212 1269 HD21 ASN 62 HD21 ASN 62 16.666 24.250 -3.752 1270 HD22 ASN 62 HD22 ASN 62 17.826 23.415 -4.766 1271 H SER 63 H SER 63 17.464 24.476 1.484 1272 HA SER 63 HA SER 63 15.533 23.077 2.868 1273 HB2 SER 63 HB1 SER 63 16.051 24.548 4.801 1274 HB3 SER 63 HB2 SER 63 17.469 23.849 3.981 1275 HG SER 63 HG SER 63 17.778 26.044 4.578 1276 H ASP 64 H ASP 64 14.766 25.940 1.190 1277 HA ASP 64 HA ASP 64 12.591 26.680 3.089 1278 HB2 ASP 64 HB1 ASP 64 14.281 28.384 1.212 1279 HB3 ASP 64 HB2 ASP 64 12.914 28.987 2.174 1280 H GLN 65 H GLN 65 13.209 25.216 0.151 1281 HA GLN 65 HA GLN 65 10.682 25.863 -1.106 1282 HB2 GLN 65 HB1 GLN 65 12.786 23.701 -1.335 1283 HB3 GLN 65 HB2 GLN 65 11.240 23.568 -2.206 1284 HG2 GLN 65 HG1 GLN 65 11.682 25.573 -3.455 1285 HG3 GLN 65 HG2 GLN 65 13.099 25.956 -2.453 1286 HE21 GLN 65 HE12 GLN 65 12.021 22.959 -4.232 1287 HE22 GLN 65 HE22 GLN 65 13.544 22.743 -5.062 1288 H GLU 66 H GLU 66 8.963 24.354 -1.345 1289 HA GLU 66 HA GLU 66 8.150 23.040 1.087 1290 HB2 GLU 66 HB1 GLU 66 6.855 23.280 -1.644 1291 HB3 GLU 66 HB2 GLU 66 6.097 22.485 -0.243 1292 HG2 GLU 66 HG1 GLU 66 6.223 24.608 1.024 1293 HG3 GLU 66 HG2 GLU 66 6.977 25.400 -0.376 1294 H ILE 67 H ILE 67 7.171 21.014 1.055 1295 HA ILE 67 HA ILE 67 8.280 18.689 -0.400 1296 HB ILE 67 HB ILE 67 8.152 19.240 2.590 1297 HG12 ILE 67 HG13 ILE 67 10.246 18.893 0.536 1298 HG13 ILE 67 HG12 ILE 67 10.166 19.981 1.943 1299 HG21 ILE 67 HG21 ILE 67 8.811 16.929 3.086 1300 HG22 ILE 67 HG22 ILE 67 7.216 17.014 2.310 1301 HG23 ILE 67 HG23 ILE 67 8.642 16.519 1.367 1302 HD11 ILE 67 HD11 ILE 67 12.059 18.418 2.131 1303 HD12 ILE 67 HD12 ILE 67 10.853 18.149 3.400 1304 HD13 ILE 67 HD13 ILE 67 10.931 17.059 1.995 1305 H ASP 68 H ASP 68 6.715 17.077 -0.662 1306 HA ASP 68 HA ASP 68 4.031 17.578 0.477 1307 HB2 ASP 68 HB1 ASP 68 3.041 16.702 -1.366 1308 HB3 ASP 68 HB2 ASP 68 4.526 17.356 -2.089 1309 H PHE 69 H PHE 69 2.660 15.586 0.743 1310 HA PHE 69 HA PHE 69 3.410 13.945 2.834 1311 HB2 PHE 69 HB1 PHE 69 1.240 14.197 0.910 1312 HB3 PHE 69 HB2 PHE 69 1.543 12.488 1.268 1313 HD1 PHE 69 HD2 PHE 69 1.556 11.739 3.709 1314 HD2 PHE 69 HD1 PHE 69 0.066 15.576 2.429 1315 HE1 PHE 69 HE2 PHE 69 0.291 11.961 5.841 1316 HE2 PHE 69 HE1 PHE 69 -1.209 15.783 4.551 1317 HZ PHE 69 HZ PHE 69 -1.097 13.978 6.252 1318 H LYS 70 H LYS 70 4.326 13.439 -0.514 1319 HA LYS 70 HA LYS 70 4.627 10.519 -0.245 1320 HB2 LYS 70 HB1 LYS 70 3.567 11.774 -2.158 1321 HB3 LYS 70 HB2 LYS 70 5.184 12.421 -2.532 1322 HG2 LYS 70 HG1 LYS 70 5.992 10.155 -3.001 1323 HG3 LYS 70 HG2 LYS 70 4.388 9.494 -2.604 1324 HD2 LYS 70 HD1 LYS 70 4.638 9.774 -5.043 1325 HD3 LYS 70 HD2 LYS 70 3.375 10.851 -4.405 1326 HE2 LYS 70 HE1 LYS 70 6.173 11.917 -4.661 1327 HE3 LYS 70 HE2 LYS 70 5.208 11.712 -6.139 1328 HZ1 LYS 70 HZ1 LYS 70 4.993 13.917 -5.234 1329 HZ2 LYS 70 HZ2 LYS 70 3.546 13.135 -5.173 1330 HZ3 LYS 70 HZ3 LYS 70 4.441 13.324 -3.800 1331 H GLU 71 H GLU 71 6.693 13.374 -1.086 1332 HA GLU 71 HA GLU 71 9.238 12.265 -0.879 1333 HB2 GLU 71 HB1 GLU 71 8.153 14.883 0.226 1334 HB3 GLU 71 HB2 GLU 71 9.885 14.482 0.130 1335 HG2 GLU 71 HG1 GLU 71 9.275 14.088 -2.436 1336 HG3 GLU 71 HG2 GLU 71 7.965 15.220 -2.044 1337 H TYR 72 H TYR 72 6.995 13.290 1.695 1338 HA TYR 72 HA TYR 72 8.624 12.754 3.952 1339 HB2 TYR 72 HB1 TYR 72 6.833 14.138 4.301 1340 HB3 TYR 72 HB2 TYR 72 5.742 13.166 3.296 1341 HD1 TYR 72 HD2 TYR 72 7.683 12.637 6.506 1342 HD2 TYR 72 HD1 TYR 72 3.954 12.272 4.382 1343 HE1 TYR 72 HE2 TYR 72 6.574 11.834 8.580 1344 HE2 TYR 72 HE1 TYR 72 2.827 11.523 6.466 1345 HH TYR 72 HH TYR 72 4.621 11.266 9.578 1346 H SER 73 H SER 73 6.109 10.628 2.436 1347 HA SER 73 HA SER 73 6.621 8.484 4.267 1348 HB2 SER 73 HB1 SER 73 5.116 7.204 2.842 1349 HB3 SER 73 HB2 SER 73 4.468 8.831 3.163 1350 HG SER 73 HG SER 73 4.266 8.209 0.968 1351 H VAL 74 H VAL 74 7.950 9.156 0.968 1352 HA VAL 74 HA VAL 74 9.309 6.615 0.923 1353 HB VAL 74 HB VAL 74 10.556 7.307 -0.961 1354 HG11 VAL 74 HG11 VAL 74 8.715 7.672 -2.548 1355 HG12 VAL 74 HG12 VAL 74 8.286 6.503 -1.281 1356 HG13 VAL 74 HG13 VAL 74 7.666 8.170 -1.202 1357 HG21 VAL 74 HG21 VAL 74 10.389 9.485 -2.081 1358 HG22 VAL 74 HG22 VAL 74 9.418 10.093 -0.728 1359 HG23 VAL 74 HG23 VAL 74 11.112 9.612 -0.466 1360 H PHE 75 H PHE 75 10.236 9.838 2.125 1361 HA PHE 75 HA PHE 75 13.004 9.271 2.572 1362 HB2 PHE 75 HB1 PHE 75 11.770 11.491 2.656 1363 HB3 PHE 75 HB2 PHE 75 11.142 10.993 4.235 1364 HD1 PHE 75 HD1 PHE 75 12.995 10.395 6.076 1365 HD2 PHE 75 HD2 PHE 75 13.748 12.609 2.464 1366 HE1 PHE 75 HE1 PHE 75 14.885 11.573 7.190 1367 HE2 PHE 75 HE2 PHE 75 15.639 13.760 3.565 1368 HZ PHE 75 HZ PHE 75 16.137 13.338 5.960 1369 H LEU 76 H LEU 76 10.059 8.812 4.618 1370 HA LEU 76 HA LEU 76 11.497 7.666 6.820 1371 HB2 LEU 76 HB1 LEU 76 8.590 7.718 5.992 1372 HB3 LEU 76 HB2 LEU 76 9.147 6.875 7.458 1373 HG LEU 76 HG LEU 76 9.582 9.837 6.867 1374 HD11 LEU 76 HD11 LEU 76 7.839 10.170 8.583 1375 HD12 LEU 76 HD12 LEU 76 7.208 9.246 7.197 1376 HD13 LEU 76 HD13 LEU 76 7.620 8.407 8.711 1377 HD21 LEU 76 HD21 LEU 76 10.297 9.952 9.232 1378 HD22 LEU 76 HD22 LEU 76 10.098 8.191 9.381 1379 HD23 LEU 76 HD23 LEU 76 11.342 8.856 8.297 1380 H THR 77 H THR 77 9.732 6.200 4.053 1381 HA THR 77 HA THR 77 10.187 3.473 4.663 1382 HB THR 77 HB THR 77 9.926 5.004 2.064 1383 HG1 THR 77 HG1 THR 77 7.860 4.032 2.225 1384 HG21 THR 77 HG21 THR 77 9.497 2.846 0.941 1385 HG22 THR 77 HG22 THR 77 11.155 2.928 1.575 1386 HG23 THR 77 HG23 THR 77 9.916 1.987 2.441 1387 H MET 78 H MET 78 12.168 5.718 2.694 1388 HA MET 78 HA MET 78 14.323 4.021 2.092 1389 HB2 MET 78 HB1 MET 78 13.964 6.120 0.972 1390 HB3 MET 78 HB2 MET 78 14.118 7.022 2.500 1391 HG2 MET 78 HG1 MET 78 16.443 6.647 2.611 1392 HG3 MET 78 HG2 MET 78 16.385 5.389 1.365 1393 HE1 MET 78 HE1 MET 78 15.545 9.850 0.323 1394 HE2 MET 78 HE2 MET 78 14.351 8.737 1.026 1395 HE3 MET 78 HE3 MET 78 15.743 9.280 1.994 1396 H LEU 79 H LEU 79 13.917 6.241 4.896 1397 HA LEU 79 HA LEU 79 16.438 5.606 6.087 1398 HB2 LEU 79 HB1 LEU 79 15.243 7.700 6.373 1399 HB3 LEU 79 HB2 LEU 79 13.891 6.849 7.157 1400 HG LEU 79 HG LEU 79 15.207 6.373 9.091 1401 HD11 LEU 79 HD11 LEU 79 17.557 7.093 9.379 1402 HD12 LEU 79 HD12 LEU 79 17.396 5.912 8.063 1403 HD13 LEU 79 HD13 LEU 79 17.592 7.641 7.689 1404 HD21 LEU 79 HD21 LEU 79 15.674 8.686 9.855 1405 HD22 LEU 79 HD22 LEU 79 15.660 9.246 8.165 1406 HD23 LEU 79 HD23 LEU 79 14.171 8.612 8.906 1407 H CYS 80 H CYS 80 13.150 4.199 6.585 1408 HA CYS 80 HA CYS 80 13.923 2.450 8.710 1409 HB2 CYS 80 HB1 CYS 80 11.591 3.090 8.035 1410 HB3 CYS 80 HB2 CYS 80 11.771 2.054 6.597 1411 HG CYS 80 HG CYS 80 10.317 0.831 8.399 1412 H MET 81 H MET 81 13.921 1.997 5.139 1413 HA MET 81 HA MET 81 14.977 -0.674 5.243 1414 HB2 MET 81 HB1 MET 81 13.683 0.725 3.379 1415 HB3 MET 81 HB2 MET 81 15.344 1.070 2.840 1416 HG2 MET 81 HG1 MET 81 15.715 -1.496 3.079 1417 HG3 MET 81 HG2 MET 81 13.946 -1.605 3.098 1418 HE1 MET 81 HE1 MET 81 16.732 -0.467 -0.323 1419 HE2 MET 81 HE2 MET 81 16.730 0.402 1.235 1420 HE3 MET 81 HE3 MET 81 17.137 -1.330 1.185 1421 H ALA 82 H ALA 82 16.493 2.461 5.511 1422 HA ALA 82 HA ALA 82 19.135 1.641 4.725 1423 HB1 ALA 82 HB1 ALA 82 19.773 3.889 5.531 1424 HB2 ALA 82 HB2 ALA 82 18.325 3.951 4.501 1425 HB3 ALA 82 HB3 ALA 82 18.166 4.076 6.269 1426 H TYR 83 H TYR 83 17.444 0.967 7.663 1427 HA TYR 83 HA TYR 83 19.957 0.046 8.770 1428 HB2 TYR 83 HB1 TYR 83 20.021 1.226 10.779 1429 HB3 TYR 83 HB2 TYR 83 19.827 2.406 9.473 1430 HD1 TYR 83 HD1 TYR 83 18.092 0.757 12.332 1431 HD2 TYR 83 HD2 TYR 83 18.058 3.968 9.471 1432 HE1 TYR 83 HE1 TYR 83 16.270 1.854 13.606 1433 HE2 TYR 83 HE2 TYR 83 16.304 5.119 10.791 1434 HH TYR 83 HH TYR 83 14.895 5.031 12.606 1435 H ASN 84 H ASN 84 16.819 -0.791 8.271 1436 HA ASN 84 HA ASN 84 16.898 -2.593 10.601 1437 HB2 ASN 84 HB1 ASN 84 14.711 -2.022 8.633 1438 HB3 ASN 84 HB2 ASN 84 14.653 -3.383 9.775 1439 HD21 ASN 84 HD21 ASN 84 14.488 0.104 9.423 1440 HD22 ASN 84 HD22 ASN 84 14.049 0.461 11.084 1441 H ASP 85 H ASP 85 19.041 -2.982 8.823 1442 HA ASP 85 HA ASP 85 19.169 -5.574 7.954 1443 HB2 ASP 85 HB1 ASP 85 21.101 -5.730 9.757 1444 HB3 ASP 85 HB2 ASP 85 21.230 -4.644 8.356 1445 H PHE 86 H PHE 86 18.103 -4.552 11.186 1446 HA PHE 86 HA PHE 86 17.792 -6.957 12.527 1447 HB2 PHE 86 HB1 PHE 86 15.876 -4.598 12.513 1448 HB3 PHE 86 HB2 PHE 86 16.103 -5.775 13.819 1449 HD1 PHE 86 HD2 PHE 86 18.838 -5.935 14.453 1450 HD2 PHE 86 HD1 PHE 86 16.688 -2.493 13.010 1451 HE1 PHE 86 HE2 PHE 86 20.494 -4.439 15.545 1452 HE2 PHE 86 HE1 PHE 86 18.333 -1.001 14.116 1453 HZ PHE 86 HZ PHE 86 20.232 -1.969 15.396 1454 H PHE 87 H PHE 87 15.976 -6.040 9.662 1455 HA PHE 87 HA PHE 87 13.862 -8.021 10.232 1456 HB2 PHE 87 HB1 PHE 87 14.302 -6.224 7.824 1457 HB3 PHE 87 HB2 PHE 87 12.873 -7.225 8.131 1458 HD1 PHE 87 HD1 PHE 87 12.912 -6.223 11.258 1459 HD2 PHE 87 HD2 PHE 87 12.771 -4.402 7.356 1460 HE1 PHE 87 HE1 PHE 87 11.837 -4.206 12.230 1461 HE2 PHE 87 HE2 PHE 87 11.715 -2.382 8.335 1462 HZ PHE 87 HZ PHE 87 11.269 -2.271 10.777 1463 H LEU 88 H LEU 88 16.990 -8.203 8.891 1464 HA LEU 88 HA LEU 88 16.146 -9.594 6.430 1465 HB2 LEU 88 HB1 LEU 88 18.857 -8.514 7.244 1466 HB3 LEU 88 HB2 LEU 88 18.434 -9.203 5.657 1467 HG LEU 88 HG LEU 88 17.645 -6.581 6.882 1468 HD11 LEU 88 HD11 LEU 88 18.369 -5.739 4.657 1469 HD12 LEU 88 HD12 LEU 88 19.635 -6.728 5.417 1470 HD13 LEU 88 HD13 LEU 88 18.629 -7.412 4.118 1471 HD21 LEU 88 HD21 LEU 88 15.995 -6.169 5.071 1472 HD22 LEU 88 HD22 LEU 88 16.207 -7.841 4.514 1473 HD23 LEU 88 HD23 LEU 88 15.494 -7.516 6.112 1474 H GLU 89 H GLU 89 18.837 -10.851 6.240 1475 HA GLU 89 HA GLU 89 18.207 -13.321 7.785 1476 HB2 GLU 89 HB1 GLU 89 19.440 -12.993 5.014 1477 HB3 GLU 89 HB2 GLU 89 19.076 -14.536 5.825 1478 HG2 GLU 89 HG1 GLU 89 17.389 -14.200 4.188 1479 HG3 GLU 89 HG2 GLU 89 16.641 -13.885 5.769 1480 H ASP 90 H ASP 90 20.476 -10.852 7.615 1481 HA ASP 90 HA ASP 90 22.787 -10.652 7.657 1482 HB2 ASP 90 HB1 ASP 90 23.197 -12.911 8.525 1483 HB3 ASP 90 HB2 ASP 90 22.943 -13.589 6.902 1484 H ASN 91 H ASN 91 24.291 -10.204 5.477 1485 HA ASN 91 HA ASN 91 25.272 -11.956 4.216 1486 HB2 ASN 91 HB1 ASN 91 23.053 -13.328 4.555 1487 HB3 ASN 91 HB2 ASN 91 22.706 -12.770 2.905 1488 HD21 ASN 91 HD21 ASN 91 25.368 -14.221 4.830 1489 HD22 ASN 91 HD22 ASN 91 25.909 -15.309 3.568 1490 H LYS 92 H LYS 92 23.119 -9.468 3.218 1491 HA LYS 92 HA LYS 92 24.820 -8.382 1.293 1492 HB2 LYS 92 HB1 LYS 92 23.848 -8.703 -0.801 1493 HB3 LYS 92 HB2 LYS 92 24.050 -10.322 -0.091 1494 HG2 LYS 92 HG1 LYS 92 21.443 -8.794 -0.265 1495 HG3 LYS 92 HG2 LYS 92 21.971 -10.070 -1.386 1496 HD2 LYS 92 HD1 LYS 92 20.729 -11.415 -0.073 1497 HD3 LYS 92 HD2 LYS 92 22.144 -11.374 1.007 1498 HE2 LYS 92 HE1 LYS 92 21.112 -9.412 2.186 1499 HE3 LYS 92 HE2 LYS 92 19.664 -9.617 1.177 1500 HZ1 LYS 92 HZ1 LYS 92 19.432 -10.695 3.293 1501 HZ2 LYS 92 HZ2 LYS 92 19.422 -11.815 2.084 1502 HZ3 LYS 92 HZ3 LYS 92 20.766 -11.624 3.021 Start of MODEL 2 1 HA MET 1 HA MET 1 11.126 5.260 20.507 2 HB2 MET 1 HB1 MET 1 12.385 2.914 21.936 3 HB3 MET 1 HB2 MET 1 11.521 2.781 20.386 4 HG2 MET 1 HG1 MET 1 13.845 2.974 19.874 5 HG3 MET 1 HG2 MET 1 13.083 4.516 19.452 6 HE1 MET 1 HE1 MET 1 16.420 6.098 20.441 7 HE2 MET 1 HE2 MET 1 16.045 4.738 19.360 8 HE3 MET 1 HE3 MET 1 14.991 6.173 19.384 9 H GLU 2 H GLU 2 9.443 3.145 20.228 10 HA GLU 2 HA GLU 2 7.251 3.405 19.993 11 HB2 GLU 2 HB1 GLU 2 7.661 2.262 22.518 12 HB3 GLU 2 HB2 GLU 2 6.274 3.368 22.665 13 HG2 GLU 2 HG1 GLU 2 6.573 1.370 20.401 14 HG3 GLU 2 HG2 GLU 2 5.746 0.985 21.926 15 H THR 3 H THR 3 8.385 5.707 19.558 16 HA THR 3 HA THR 3 6.223 7.565 20.424 17 HB THR 3 HB THR 3 7.334 9.166 18.822 18 HG1 THR 3 HG1 THR 3 9.517 8.658 18.333 19 HG21 THR 3 HG21 THR 3 9.197 9.662 20.379 20 HG22 THR 3 HG22 THR 3 7.721 9.217 21.266 21 HG23 THR 3 HG23 THR 3 9.038 8.034 21.078 22 HA PRO 4 HA PRO 4 3.883 5.171 18.149 23 HB2 PRO 4 HB1 PRO 4 1.723 6.694 17.177 24 HB3 PRO 4 HB2 PRO 4 1.951 6.052 18.838 25 HG2 PRO 4 HG1 PRO 4 2.660 8.792 17.792 26 HG3 PRO 4 HG2 PRO 4 1.829 8.374 19.326 27 HD2 PRO 4 HD1 PRO 4 4.460 8.932 19.339 28 HD3 PRO 4 HD2 PRO 4 3.872 7.515 20.261 29 H LEU 5 H LEU 5 4.913 7.797 15.959 30 HA LEU 5 HA LEU 5 4.224 6.542 13.537 31 HB2 LEU 5 HB1 LEU 5 5.143 8.863 13.783 32 HB3 LEU 5 HB2 LEU 5 6.748 8.147 14.058 33 HG LEU 5 HG LEU 5 5.840 6.826 11.785 34 HD11 LEU 5 HD11 LEU 5 5.057 8.545 10.214 35 HD12 LEU 5 HD12 LEU 5 3.937 8.341 11.579 36 HD13 LEU 5 HD13 LEU 5 5.037 9.738 11.533 37 HD21 LEU 5 HD21 LEU 5 7.529 8.104 10.547 38 HD22 LEU 5 HD22 LEU 5 7.602 9.287 11.872 39 HD23 LEU 5 HD23 LEU 5 8.118 7.606 12.149 40 H GLU 6 H GLU 6 7.345 5.993 15.476 41 HA GLU 6 HA GLU 6 8.369 4.145 13.602 42 HB2 GLU 6 HB1 GLU 6 9.266 2.860 15.708 43 HB3 GLU 6 HB2 GLU 6 9.939 4.434 15.224 44 HG2 GLU 6 HG1 GLU 6 8.771 5.563 16.955 45 HG3 GLU 6 HG2 GLU 6 7.787 4.128 17.319 46 H LYS 7 H LYS 7 5.761 3.757 15.966 47 HA LYS 7 HA LYS 7 5.658 0.872 15.572 48 HB2 LYS 7 HB1 LYS 7 5.380 1.666 17.725 49 HB3 LYS 7 HB2 LYS 7 4.194 2.893 17.220 50 HG2 LYS 7 HG1 LYS 7 3.528 -0.013 16.886 51 HG3 LYS 7 HG2 LYS 7 3.444 0.725 18.503 52 HD2 LYS 7 HD1 LYS 7 1.920 1.542 16.009 53 HD3 LYS 7 HD2 LYS 7 1.259 0.838 17.504 54 HE2 LYS 7 HE1 LYS 7 2.400 3.619 17.100 55 HE3 LYS 7 HE2 LYS 7 0.730 3.173 17.511 56 HZ1 LYS 7 HZ1 LYS 7 1.929 3.978 19.415 57 HZ2 LYS 7 HZ2 LYS 7 1.526 2.396 19.626 58 HZ3 LYS 7 HZ3 LYS 7 3.077 2.810 19.244 59 H ALA 8 H ALA 8 4.025 3.647 14.123 60 HA ALA 8 HA ALA 8 2.147 2.148 12.585 61 HB1 ALA 8 HB1 ALA 8 2.160 4.120 11.102 62 HB2 ALA 8 HB2 ALA 8 2.069 4.595 12.815 63 HB3 ALA 8 HB3 ALA 8 3.609 4.736 11.932 64 H LEU 9 H LEU 9 5.605 3.059 11.866 65 HA LEU 9 HA LEU 9 5.810 1.433 9.533 66 HB2 LEU 9 HB1 LEU 9 7.730 2.630 11.495 67 HB3 LEU 9 HB2 LEU 9 8.321 1.398 10.353 68 HG LEU 9 HG LEU 9 8.808 3.663 9.639 69 HD11 LEU 9 HD11 LEU 9 8.025 3.500 7.301 70 HD12 LEU 9 HD12 LEU 9 8.543 1.925 7.937 71 HD13 LEU 9 HD13 LEU 9 6.809 2.307 7.804 72 HD21 LEU 9 HD21 LEU 9 7.082 5.223 8.813 73 HD22 LEU 9 HD22 LEU 9 5.821 4.105 9.370 74 HD23 LEU 9 HD23 LEU 9 6.901 4.894 10.546 75 H THR 10 H THR 10 6.174 0.560 13.039 76 HA THR 10 HA THR 10 7.067 -2.102 12.632 77 HB THR 10 HB THR 10 5.322 -1.080 14.894 78 HG1 THR 10 HG1 THR 10 7.404 -0.998 15.877 79 HG21 THR 10 HG21 THR 10 6.245 -3.025 16.137 80 HG22 THR 10 HG22 THR 10 5.305 -3.562 14.726 81 HG23 THR 10 HG23 THR 10 7.083 -3.565 14.663 82 H THR 11 H THR 11 3.730 -0.789 12.798 83 HA THR 11 HA THR 11 2.289 -3.156 12.315 84 HB THR 11 HB THR 11 1.636 -0.405 11.222 85 HG1 THR 11 HG1 THR 11 0.502 -0.185 13.215 86 HG21 THR 11 HG21 THR 11 -0.725 -1.131 11.472 87 HG22 THR 11 HG22 THR 11 0.167 -2.203 10.371 88 HG23 THR 11 HG23 THR 11 -0.168 -2.718 12.041 89 H MET 12 H MET 12 3.704 -0.835 9.942 90 HA MET 12 HA MET 12 2.816 -2.231 7.635 91 HB2 MET 12 HB1 MET 12 5.085 -0.266 8.050 92 HB3 MET 12 HB2 MET 12 4.615 -0.899 6.454 93 HG2 MET 12 HG1 MET 12 2.401 0.080 6.672 94 HG3 MET 12 HG2 MET 12 2.757 0.607 8.326 95 HE1 MET 12 HE1 MET 12 2.865 3.295 4.933 96 HE2 MET 12 HE2 MET 12 2.597 1.552 4.699 97 HE3 MET 12 HE3 MET 12 1.632 2.447 5.896 98 H VAL 13 H VAL 13 5.986 -2.541 9.410 99 HA VAL 13 HA VAL 13 6.929 -4.462 7.477 100 HB VAL 13 HB VAL 13 8.712 -5.048 9.005 101 HG11 VAL 13 HG11 VAL 13 9.864 -2.861 9.085 102 HG12 VAL 13 HG12 VAL 13 8.991 -3.088 7.556 103 HG13 VAL 13 HG13 VAL 13 8.309 -2.042 8.824 104 HG21 VAL 13 HG21 VAL 13 9.041 -3.911 11.168 105 HG22 VAL 13 HG22 VAL 13 7.459 -3.126 10.985 106 HG23 VAL 13 HG23 VAL 13 7.563 -4.895 11.158 107 H THR 14 H THR 14 4.786 -4.759 10.231 108 HA THR 14 HA THR 14 5.152 -7.595 10.659 109 HB THR 14 HB THR 14 2.854 -5.761 11.428 110 HG1 THR 14 HG1 THR 14 3.997 -5.831 13.427 111 HG21 THR 14 HG21 THR 14 2.368 -7.480 13.154 112 HG22 THR 14 HG22 THR 14 2.214 -8.157 11.519 113 HG23 THR 14 HG23 THR 14 3.662 -8.503 12.493 114 H THR 15 H THR 15 2.462 -5.735 9.139 115 HA THR 15 HA THR 15 1.147 -7.893 7.878 116 HB THR 15 HB THR 15 0.348 -6.023 6.304 117 HG1 THR 15 HG1 THR 15 0.901 -3.930 7.079 118 HG21 THR 15 HG21 THR 15 -0.988 -4.915 8.077 119 HG22 THR 15 HG22 THR 15 -0.904 -6.671 8.340 120 HG23 THR 15 HG23 THR 15 0.110 -5.575 9.311 121 H PHE 16 H PHE 16 3.711 -5.681 6.509 122 HA PHE 16 HA PHE 16 3.864 -6.919 3.990 123 HB2 PHE 16 HB1 PHE 16 4.876 -4.767 4.654 124 HB3 PHE 16 HB2 PHE 16 6.090 -5.646 5.597 125 HD1 PHE 16 HD2 PHE 16 7.823 -7.040 4.407 126 HD2 PHE 16 HD1 PHE 16 5.165 -4.386 2.310 127 HE1 PHE 16 HE2 PHE 16 9.333 -7.054 2.447 128 HE2 PHE 16 HE1 PHE 16 6.782 -4.246 0.432 129 HZ PHE 16 HZ PHE 16 8.846 -5.643 0.457 130 H HIS 17 H HIS 17 5.281 -8.118 7.099 131 HA HIS 17 HA HIS 17 7.012 -9.984 5.805 132 HB2 HIS 17 HB1 HIS 17 6.123 -9.473 8.561 133 HB3 HIS 17 HB2 HIS 17 6.519 -11.167 8.225 134 HD1 HIS 17 HD1 HIS 17 8.193 -7.696 8.189 135 HD2 HIS 17 HD2 HIS 17 9.096 -11.784 7.904 136 HE1 HIS 17 HE1 HIS 17 10.739 -7.883 8.280 137 HE2 HIS 17 HE2 HIS 17 11.321 -10.383 8.141 138 H LYS 18 H LYS 18 3.510 -10.272 6.473 139 HA LYS 18 HA LYS 18 3.257 -13.082 5.987 140 HB2 LYS 18 HB1 LYS 18 1.498 -11.645 6.861 141 HB3 LYS 18 HB2 LYS 18 1.468 -10.720 5.341 142 HG2 LYS 18 HG1 LYS 18 0.403 -13.489 5.855 143 HG3 LYS 18 HG2 LYS 18 -0.512 -12.001 5.513 144 HD2 LYS 18 HD1 LYS 18 0.735 -12.115 3.200 145 HD3 LYS 18 HD2 LYS 18 0.946 -13.831 3.628 146 HE2 LYS 18 HE1 LYS 18 -1.440 -14.159 3.760 147 HE3 LYS 18 HE2 LYS 18 -1.741 -12.417 3.571 148 HZ1 LYS 18 HZ1 LYS 18 -2.127 -13.611 1.530 149 HZ2 LYS 18 HZ2 LYS 18 -0.864 -12.571 1.348 150 HZ3 LYS 18 HZ3 LYS 18 -0.584 -14.187 1.523 151 H TYR 19 H TYR 19 3.429 -10.287 3.781 152 HA TYR 19 HA TYR 19 2.688 -11.930 1.466 153 HB2 TYR 19 HB1 TYR 19 3.118 -8.958 1.925 154 HB3 TYR 19 HB2 TYR 19 2.685 -9.652 0.353 155 HD1 TYR 19 HD2 TYR 19 1.526 -9.031 3.806 156 HD2 TYR 19 HD1 TYR 19 0.450 -10.540 -0.056 157 HE1 TYR 19 HE2 TYR 19 -0.847 -9.138 4.532 158 HE2 TYR 19 HE1 TYR 19 -1.887 -10.780 0.694 159 HH TYR 19 HH TYR 19 -2.902 -10.091 4.052 160 H SER 20 H SER 20 5.475 -10.117 2.664 161 HA SER 20 HA SER 20 7.211 -10.741 0.421 162 HB2 SER 20 HB1 SER 20 7.397 -8.698 1.727 163 HB3 SER 20 HB2 SER 20 7.625 -9.638 3.223 164 HG SER 20 HG SER 20 9.588 -8.830 2.370 165 H GLY 21 H GLY 21 6.494 -12.293 3.537 166 HA2 GLY 21 HA2 GLY 21 8.595 -13.798 2.952 167 H ARG 22 H ARG 22 7.864 -14.314 1.266 168 HA ARG 22 HA ARG 22 7.778 -17.118 0.949 169 HB2 ARG 22 HB1 ARG 22 5.453 -17.327 0.080 170 HB3 ARG 22 HB2 ARG 22 5.575 -17.054 1.835 171 HG2 ARG 22 HG1 ARG 22 3.868 -15.621 1.388 172 HG3 ARG 22 HG2 ARG 22 5.226 -14.516 1.071 173 HD2 ARG 22 HD1 ARG 22 3.904 -14.127 -0.779 174 HD3 ARG 22 HD2 ARG 22 4.977 -15.401 -1.399 175 HE ARG 22 HE ARG 22 2.874 -16.849 -0.421 176 HH11 ARG 22 HH12 ARG 22 3.440 -14.743 -3.133 177 HH12 ARG 22 HH11 ARG 22 1.801 -14.814 -3.723 178 HH21 ARG 22 HH22 ARG 22 0.566 -16.533 -1.005 179 HH22 ARG 22 HH21 ARG 22 0.223 -15.798 -2.550 180 H GLU 23 H GLU 23 8.645 -14.244 -0.193 181 HA GLU 23 HA GLU 23 8.244 -14.905 -3.084 182 HB2 GLU 23 HB1 GLU 23 8.601 -12.162 -1.837 183 HB3 GLU 23 HB2 GLU 23 8.256 -12.534 -3.544 184 HG2 GLU 23 HG1 GLU 23 6.295 -13.436 -1.484 185 HG3 GLU 23 HG2 GLU 23 6.393 -11.697 -1.839 186 H GLY 24 H GLY 24 10.322 -12.498 -3.439 187 HA2 GLY 24 HA2 GLY 24 12.218 -14.305 -2.982 188 H SER 25 H SER 25 11.702 -12.094 -1.245 189 HA SER 25 HA SER 25 13.686 -12.995 0.553 190 HB2 SER 25 HB1 SER 25 15.216 -11.595 -0.797 191 HB3 SER 25 HB2 SER 25 14.165 -10.184 -0.516 192 HG SER 25 HG SER 25 15.928 -10.289 0.960 193 H LYS 26 H LYS 26 13.461 -11.934 2.702 194 HA LYS 26 HA LYS 26 10.702 -11.417 3.277 195 HB2 LYS 26 HB1 LYS 26 11.456 -11.442 5.607 196 HB3 LYS 26 HB2 LYS 26 12.149 -12.790 4.675 197 HG2 LYS 26 HG1 LYS 26 14.226 -11.291 4.376 198 HG3 LYS 26 HG2 LYS 26 13.528 -10.272 5.656 199 HD2 LYS 26 HD1 LYS 26 14.150 -13.237 5.931 200 HD3 LYS 26 HD2 LYS 26 15.190 -11.916 6.515 201 HE2 LYS 26 HE1 LYS 26 13.111 -11.147 7.862 202 HE3 LYS 26 HE2 LYS 26 12.465 -12.767 7.522 203 HZ1 LYS 26 HZ1 LYS 26 13.668 -12.704 9.584 204 HZ2 LYS 26 HZ2 LYS 26 14.441 -13.691 8.510 205 HZ3 LYS 26 HZ3 LYS 26 15.040 -12.188 8.825 206 H LEU 27 H LEU 27 12.718 -9.233 2.022 207 HA LEU 27 HA LEU 27 11.217 -6.957 3.192 208 HB2 LEU 27 HB1 LEU 27 14.127 -7.088 2.363 209 HB3 LEU 27 HB2 LEU 27 13.254 -5.568 2.669 210 HG LEU 27 HG LEU 27 13.618 -7.805 4.700 211 HD11 LEU 27 HD11 LEU 27 15.292 -6.277 5.702 212 HD12 LEU 27 HD12 LEU 27 15.742 -6.720 4.038 213 HD13 LEU 27 HD13 LEU 27 15.033 -5.121 4.372 214 HD21 LEU 27 HD21 LEU 27 12.907 -6.122 6.381 215 HD22 LEU 27 HD22 LEU 27 12.635 -4.945 5.079 216 HD23 LEU 27 HD23 LEU 27 11.631 -6.412 5.179 217 H THR 28 H THR 28 11.393 -8.836 0.549 218 HA THR 28 HA THR 28 10.475 -6.689 -1.262 219 HB THR 28 HB THR 28 11.464 -7.776 -3.172 220 HG1 THR 28 HG1 THR 28 12.902 -9.533 -2.864 221 HG21 THR 28 HG21 THR 28 13.872 -7.403 -2.755 222 HG22 THR 28 HG22 THR 28 12.879 -6.125 -2.029 223 HG23 THR 28 HG23 THR 28 13.561 -7.414 -1.008 224 H LEU 29 H LEU 29 9.228 -7.575 -3.199 225 HA LEU 29 HA LEU 29 8.065 -10.153 -3.163 226 HB2 LEU 29 HB1 LEU 29 5.781 -9.781 -2.646 227 HB3 LEU 29 HB2 LEU 29 6.795 -9.301 -1.263 228 HG LEU 29 HG LEU 29 5.523 -7.324 -3.176 229 HD11 LEU 29 HD11 LEU 29 3.823 -7.046 -1.371 230 HD12 LEU 29 HD12 LEU 29 3.816 -8.713 -1.994 231 HD13 LEU 29 HD13 LEU 29 4.601 -8.348 -0.439 232 HD21 LEU 29 HD21 LEU 29 5.891 -5.729 -1.315 233 HD22 LEU 29 HD22 LEU 29 6.654 -7.022 -0.364 234 HD23 LEU 29 HD23 LEU 29 7.426 -6.441 -1.859 235 H SER 30 H SER 30 6.188 -10.396 -4.763 236 HA SER 30 HA SER 30 6.618 -8.915 -7.210 237 HB2 SER 30 HB1 SER 30 4.795 -10.319 -8.080 238 HB3 SER 30 HB2 SER 30 5.949 -11.317 -7.161 239 HG SER 30 HG SER 30 3.753 -11.783 -6.634 240 H ARG 31 H ARG 31 5.114 -7.479 -8.310 241 HA ARG 31 HA ARG 31 3.375 -5.949 -6.629 242 HB2 ARG 31 HB1 ARG 31 2.732 -5.982 -9.507 243 HB3 ARG 31 HB2 ARG 31 2.853 -4.630 -8.354 244 HG2 ARG 31 HG1 ARG 31 5.212 -5.983 -9.644 245 HG3 ARG 31 HG2 ARG 31 4.390 -4.543 -10.292 246 HD2 ARG 31 HD1 ARG 31 5.800 -4.710 -7.631 247 HD3 ARG 31 HD2 ARG 31 6.482 -4.036 -9.127 248 HE ARG 31 HE ARG 31 4.041 -2.866 -7.894 249 HH11 ARG 31 HH12 ARG 31 7.229 -2.307 -9.339 250 HH12 ARG 31 HH11 ARG 31 7.223 -0.613 -8.943 251 HH21 ARG 31 HH22 ARG 31 4.222 -0.679 -7.252 252 HH22 ARG 31 HH21 ARG 31 5.573 0.278 -7.798 253 H LYS 32 H LYS 32 2.880 -9.099 -7.831 254 HA LYS 32 HA LYS 32 -0.024 -8.939 -8.021 255 HB2 LYS 32 HB1 LYS 32 1.853 -10.606 -9.101 256 HB3 LYS 32 HB2 LYS 32 1.242 -11.601 -7.758 257 HG2 LYS 32 HG1 LYS 32 -0.298 -12.240 -9.305 258 HG3 LYS 32 HG2 LYS 32 -1.111 -10.744 -8.789 259 HD2 LYS 32 HD1 LYS 32 -1.190 -10.525 -11.098 260 HD3 LYS 32 HD2 LYS 32 0.315 -9.651 -10.726 261 HE2 LYS 32 HE1 LYS 32 1.530 -11.874 -11.140 262 HE3 LYS 32 HE2 LYS 32 0.000 -12.462 -11.828 263 HZ1 LYS 32 HZ1 LYS 32 1.476 -11.639 -13.517 264 HZ2 LYS 32 HZ2 LYS 32 0.122 -10.704 -13.439 265 HZ3 LYS 32 HZ3 LYS 32 1.540 -10.157 -12.800 266 H GLU 33 H GLU 33 2.204 -10.603 -5.654 267 HA GLU 33 HA GLU 33 0.081 -11.159 -3.802 268 HB2 GLU 33 HB1 GLU 33 2.224 -12.357 -3.964 269 HB3 GLU 33 HB2 GLU 33 3.068 -10.907 -3.370 270 HG2 GLU 33 HG1 GLU 33 2.855 -12.552 -1.617 271 HG3 GLU 33 HG2 GLU 33 1.915 -11.093 -1.233 272 H LEU 34 H LEU 34 2.313 -8.374 -4.112 273 HA LEU 34 HA LEU 34 1.667 -6.764 -1.953 274 HB2 LEU 34 HB1 LEU 34 3.293 -6.228 -3.686 275 HB3 LEU 34 HB2 LEU 34 2.005 -6.121 -4.910 276 HG LEU 34 HG LEU 34 1.112 -4.120 -3.664 277 HD11 LEU 34 HD11 LEU 34 2.631 -2.944 -2.112 278 HD12 LEU 34 HD12 LEU 34 2.164 -4.540 -1.479 279 HD13 LEU 34 HD13 LEU 34 3.774 -4.305 -2.202 280 HD21 LEU 34 HD21 LEU 34 2.819 -2.601 -4.610 281 HD22 LEU 34 HD22 LEU 34 3.959 -3.963 -4.743 282 HD23 LEU 34 HD23 LEU 34 2.468 -3.950 -5.718 283 H LYS 35 H LYS 35 -0.441 -7.414 -4.816 284 HA LYS 35 HA LYS 35 -2.145 -5.176 -4.118 285 HB2 LYS 35 HB1 LYS 35 -3.038 -5.371 -6.134 286 HB3 LYS 35 HB2 LYS 35 -1.624 -6.409 -6.439 287 HG2 LYS 35 HG1 LYS 35 -2.937 -8.402 -6.081 288 HG3 LYS 35 HG2 LYS 35 -4.344 -7.436 -5.572 289 HD2 LYS 35 HD1 LYS 35 -4.432 -8.371 -7.914 290 HD3 LYS 35 HD2 LYS 35 -4.702 -6.618 -7.761 291 HE2 LYS 35 HE1 LYS 35 -2.334 -6.235 -8.443 292 HE3 LYS 35 HE2 LYS 35 -2.152 -7.985 -8.688 293 HZ1 LYS 35 HZ1 LYS 35 -2.643 -6.847 -10.728 294 HZ2 LYS 35 HZ2 LYS 35 -3.877 -7.868 -10.338 295 HZ3 LYS 35 HZ3 LYS 35 -4.047 -6.245 -10.109 296 H GLU 36 H GLU 36 -2.308 -8.719 -3.469 297 HA GLU 36 HA GLU 36 -4.730 -8.495 -2.002 298 HB2 GLU 36 HB1 GLU 36 -3.850 -10.734 -2.432 299 HB3 GLU 36 HB2 GLU 36 -2.427 -10.400 -1.416 300 HG2 GLU 36 HG1 GLU 36 -3.912 -9.905 0.500 301 HG3 GLU 36 HG2 GLU 36 -5.333 -10.234 -0.514 302 H LEU 37 H LEU 37 -1.295 -7.918 -0.915 303 HA LEU 37 HA LEU 37 -1.726 -7.639 1.804 304 HB2 LEU 37 HB1 LEU 37 0.473 -7.570 0.908 305 HB3 LEU 37 HB2 LEU 37 0.105 -6.129 -0.071 306 HG LEU 37 HG LEU 37 -0.018 -4.784 1.977 307 HD11 LEU 37 HD11 LEU 37 0.957 -5.540 4.119 308 HD12 LEU 37 HD12 LEU 37 -0.517 -6.438 3.714 309 HD13 LEU 37 HD13 LEU 37 1.082 -7.183 3.466 310 HD21 LEU 37 HD21 LEU 37 2.440 -4.747 2.367 311 HD22 LEU 37 HD22 LEU 37 2.572 -6.366 1.646 312 HD23 LEU 37 HD23 LEU 37 2.064 -4.984 0.647 313 H ILE 38 H ILE 38 -2.003 -5.015 -0.604 314 HA ILE 38 HA ILE 38 -2.672 -3.003 1.304 315 HB ILE 38 HB ILE 38 -2.785 -3.207 -1.713 316 HG12 ILE 38 HG13 ILE 38 -0.906 -1.778 0.210 317 HG13 ILE 38 HG12 ILE 38 -0.590 -3.351 -0.561 318 HG21 ILE 38 HG21 ILE 38 -3.072 -0.760 -1.800 319 HG22 ILE 38 HG22 ILE 38 -4.469 -1.553 -1.038 320 HG23 ILE 38 HG23 ILE 38 -3.261 -0.719 -0.032 321 HD11 ILE 38 HD11 ILE 38 0.627 -1.534 -1.711 322 HD12 ILE 38 HD12 ILE 38 -0.593 -2.271 -2.771 323 HD13 ILE 38 HD13 ILE 38 -0.911 -0.698 -2.001 324 H LYS 39 H LYS 39 -4.807 -5.132 -0.691 325 HA LYS 39 HA LYS 39 -7.150 -3.604 0.121 326 HB2 LYS 39 HB1 LYS 39 -6.511 -5.645 -1.825 327 HB3 LYS 39 HB2 LYS 39 -7.989 -6.079 -0.931 328 HG2 LYS 39 HG1 LYS 39 -7.464 -3.556 -2.527 329 HG3 LYS 39 HG2 LYS 39 -8.602 -4.869 -2.916 330 HD2 LYS 39 HD1 LYS 39 -8.825 -2.849 -0.663 331 HD3 LYS 39 HD2 LYS 39 -9.835 -2.954 -2.126 332 HE2 LYS 39 HE1 LYS 39 -11.108 -4.666 -1.293 333 HE3 LYS 39 HE2 LYS 39 -9.762 -5.371 -0.374 334 HZ1 LYS 39 HZ1 LYS 39 -11.414 -4.417 1.059 335 HZ2 LYS 39 HZ2 LYS 39 -9.994 -3.592 1.205 336 HZ3 LYS 39 HZ3 LYS 39 -11.244 -2.937 0.352 337 H LYS 40 H LYS 40 -5.540 -6.492 1.316 338 HA LYS 40 HA LYS 40 -7.509 -7.272 3.274 339 HB2 LYS 40 HB1 LYS 40 -4.538 -7.669 2.811 340 HB3 LYS 40 HB2 LYS 40 -5.319 -8.274 4.291 341 HG2 LYS 40 HG1 LYS 40 -6.490 -9.025 1.634 342 HG3 LYS 40 HG2 LYS 40 -4.994 -9.823 2.171 343 HD2 LYS 40 HD1 LYS 40 -6.316 -10.158 4.407 344 HD3 LYS 40 HD2 LYS 40 -7.744 -9.892 3.377 345 HE2 LYS 40 HE1 LYS 40 -5.636 -12.050 2.997 346 HE3 LYS 40 HE2 LYS 40 -7.265 -12.286 3.667 347 HZ1 LYS 40 HZ1 LYS 40 -7.140 -12.953 1.377 348 HZ2 LYS 40 HZ2 LYS 40 -8.157 -11.669 1.541 349 HZ3 LYS 40 HZ3 LYS 40 -6.645 -11.451 0.921 350 H GLU 41 H GLU 41 -4.483 -5.403 3.441 351 HA GLU 41 HA GLU 41 -4.554 -4.498 6.081 352 HB2 GLU 41 HB1 GLU 41 -3.398 -3.442 3.499 353 HB3 GLU 41 HB2 GLU 41 -3.268 -2.486 4.994 354 HG2 GLU 41 HG1 GLU 41 -2.240 -4.589 6.059 355 HG3 GLU 41 HG2 GLU 41 -2.093 -5.219 4.403 356 H LEU 42 H LEU 42 -6.308 -3.126 3.224 357 HA LEU 42 HA LEU 42 -7.605 -1.261 5.069 358 HB2 LEU 42 HB1 LEU 42 -5.314 -0.448 3.718 359 HB3 LEU 42 HB2 LEU 42 -6.645 0.223 2.746 360 HG LEU 42 HG LEU 42 -6.146 0.680 5.704 361 HD11 LEU 42 HD11 LEU 42 -5.693 3.020 5.006 362 HD12 LEU 42 HD12 LEU 42 -4.591 1.881 4.201 363 HD13 LEU 42 HD13 LEU 42 -5.972 2.562 3.310 364 HD21 LEU 42 HD21 LEU 42 -7.992 2.329 5.636 365 HD22 LEU 42 HD22 LEU 42 -8.323 1.878 3.951 366 HD23 LEU 42 HD23 LEU 42 -8.568 0.693 5.256 367 H CYS 43 H CYS 43 -9.585 -0.816 4.634 368 HA CYS 43 HA CYS 43 -10.980 -1.826 2.317 369 HB2 CYS 43 HB1 CYS 43 -11.662 -0.433 4.891 370 HB3 CYS 43 HB2 CYS 43 -12.883 -0.552 3.600 371 HG CYS 43 HG CYS 43 -13.229 -2.490 5.330 372 H LEU 44 H LEU 44 -9.288 -0.420 1.014 373 HA LEU 44 HA LEU 44 -9.909 2.385 0.713 374 HB2 LEU 44 HB1 LEU 44 -8.059 0.416 -0.626 375 HB3 LEU 44 HB2 LEU 44 -8.318 2.029 -1.331 376 HG LEU 44 HG LEU 44 -7.563 1.683 1.579 377 HD11 LEU 44 HD11 LEU 44 -5.189 1.987 0.936 378 HD12 LEU 44 HD12 LEU 44 -5.859 0.491 0.244 379 HD13 LEU 44 HD13 LEU 44 -5.650 1.933 -0.781 380 HD21 LEU 44 HD21 LEU 44 -6.661 3.972 1.302 381 HD22 LEU 44 HD22 LEU 44 -7.137 3.949 -0.410 382 HD23 LEU 44 HD23 LEU 44 -8.382 3.898 0.861 383 H GLY 45 H GLY 45 -10.576 -0.529 -1.315 384 HA2 GLY 45 HA2 GLY 45 -11.862 1.263 -2.781 385 H GLU 46 H GLU 46 -13.077 -0.182 -0.608 386 HA GLU 46 HA GLU 46 -15.815 0.505 -1.419 387 HB2 GLU 46 HB1 GLU 46 -16.421 -0.533 0.744 388 HB3 GLU 46 HB2 GLU 46 -15.556 -1.625 -0.365 389 HG2 GLU 46 HG1 GLU 46 -14.027 -0.164 1.762 390 HG3 GLU 46 HG2 GLU 46 -15.008 -1.578 2.204 391 H MET 47 H MET 47 -13.385 2.431 -0.702 392 HA MET 47 HA MET 47 -15.234 4.362 0.598 393 HB2 MET 47 HB1 MET 47 -12.275 3.962 1.096 394 HB3 MET 47 HB2 MET 47 -13.119 5.476 1.501 395 HG2 MET 47 HG1 MET 47 -14.761 3.992 2.818 396 HG3 MET 47 HG2 MET 47 -13.550 2.710 2.649 397 HE1 MET 47 HE1 MET 47 -10.430 4.637 4.350 398 HE2 MET 47 HE2 MET 47 -10.888 3.248 3.337 399 HE3 MET 47 HE3 MET 47 -10.984 4.899 2.679 400 H LYS 48 H LYS 48 -12.514 3.893 -1.590 401 HA LYS 48 HA LYS 48 -13.228 6.165 -3.374 402 HB2 LYS 48 HB1 LYS 48 -10.772 5.292 -1.945 403 HB3 LYS 48 HB2 LYS 48 -10.530 5.469 -3.700 404 HG2 LYS 48 HG1 LYS 48 -9.963 7.488 -2.479 405 HG3 LYS 48 HG2 LYS 48 -11.298 7.731 -3.630 406 HD2 LYS 48 HD1 LYS 48 -11.552 9.034 -1.562 407 HD3 LYS 48 HD2 LYS 48 -12.890 7.889 -1.827 408 HE2 LYS 48 HE1 LYS 48 -11.932 6.338 -0.201 409 HE3 LYS 48 HE2 LYS 48 -10.514 7.387 0.007 410 HZ1 LYS 48 HZ1 LYS 48 -12.116 7.706 1.750 411 HZ2 LYS 48 HZ2 LYS 48 -11.972 9.084 0.857 412 HZ3 LYS 48 HZ3 LYS 48 -13.289 8.111 0.662 413 H GLU 49 H GLU 49 -13.274 5.571 -5.561 414 HA GLU 49 HA GLU 49 -12.994 2.692 -6.174 415 HB2 GLU 49 HB1 GLU 49 -14.514 3.536 -8.207 416 HB3 GLU 49 HB2 GLU 49 -15.143 2.919 -6.661 417 HG2 GLU 49 HG1 GLU 49 -16.330 4.931 -7.555 418 HG3 GLU 49 HG2 GLU 49 -15.687 5.121 -5.909 419 H SER 50 H SER 50 -12.878 5.588 -8.419 420 HA SER 50 HA SER 50 -11.749 3.878 -10.370 421 HB2 SER 50 HB1 SER 50 -11.823 6.923 -10.274 422 HB3 SER 50 HB2 SER 50 -11.596 5.929 -11.731 423 HG SER 50 HG SER 50 -13.765 6.642 -11.469 424 H SER 51 H SER 51 -10.103 5.954 -8.032 425 HA SER 51 HA SER 51 -7.564 5.869 -9.456 426 HB2 SER 51 HB1 SER 51 -6.725 6.930 -7.321 427 HB3 SER 51 HB2 SER 51 -8.035 7.811 -8.141 428 HG SER 51 HG SER 51 -8.367 7.636 -5.868 429 H ILE 52 H ILE 52 -9.141 3.667 -7.170 430 HA ILE 52 HA ILE 52 -6.598 2.380 -6.536 431 HB ILE 52 HB ILE 52 -7.710 0.865 -5.235 432 HG12 ILE 52 HG13 ILE 52 -10.427 0.915 -5.343 433 HG13 ILE 52 HG12 ILE 52 -10.010 1.080 -7.066 434 HG21 ILE 52 HG21 ILE 52 -9.262 2.139 -3.785 435 HG22 ILE 52 HG22 ILE 52 -7.878 3.125 -4.303 436 HG23 ILE 52 HG23 ILE 52 -9.467 3.337 -5.078 437 HD11 ILE 52 HD11 ILE 52 -10.296 -1.301 -6.442 438 HD12 ILE 52 HD12 ILE 52 -8.621 -0.958 -6.925 439 HD13 ILE 52 HD13 ILE 52 -9.035 -1.122 -5.203 440 H ASP 53 H ASP 53 -8.971 2.175 -9.077 441 HA ASP 53 HA ASP 53 -8.412 -0.588 -9.760 442 HB2 ASP 53 HB1 ASP 53 -10.667 0.272 -9.922 443 HB3 ASP 53 HB2 ASP 53 -10.143 1.542 -11.050 444 H ASP 54 H ASP 54 -7.561 2.625 -11.377 445 HA ASP 54 HA ASP 54 -6.108 1.450 -13.485 446 HB2 ASP 54 HB1 ASP 54 -6.312 3.947 -13.188 447 HB3 ASP 54 HB2 ASP 54 -5.077 3.845 -11.915 448 H LEU 55 H LEU 55 -5.087 2.096 -10.125 449 HA LEU 55 HA LEU 55 -2.395 1.245 -10.438 450 HB2 LEU 55 HB1 LEU 55 -4.105 1.416 -7.950 451 HB3 LEU 55 HB2 LEU 55 -2.328 1.336 -8.009 452 HG LEU 55 HG LEU 55 -4.035 3.604 -9.090 453 HD11 LEU 55 HD11 LEU 55 -3.131 4.849 -7.137 454 HD12 LEU 55 HD12 LEU 55 -4.048 3.417 -6.613 455 HD13 LEU 55 HD13 LEU 55 -2.269 3.385 -6.605 456 HD21 LEU 55 HD21 LEU 55 -1.900 4.850 -9.295 457 HD22 LEU 55 HD22 LEU 55 -1.011 3.403 -8.773 458 HD23 LEU 55 HD23 LEU 55 -1.898 3.397 -10.316 459 H MET 56 H MET 56 -5.333 -0.555 -9.347 460 HA MET 56 HA MET 56 -4.111 -3.022 -8.824 461 HB2 MET 56 HB1 MET 56 -6.838 -2.235 -9.824 462 HB3 MET 56 HB2 MET 56 -6.391 -3.950 -9.661 463 HG2 MET 56 HG1 MET 56 -6.221 -1.914 -7.422 464 HG3 MET 56 HG2 MET 56 -7.609 -2.981 -7.695 465 HE1 MET 56 HE1 MET 56 -4.013 -3.768 -5.185 466 HE2 MET 56 HE2 MET 56 -3.916 -2.631 -6.549 467 HE3 MET 56 HE3 MET 56 -5.151 -2.403 -5.289 468 H LYS 57 H LYS 57 -5.001 -1.710 -12.102 469 HA LYS 57 HA LYS 57 -3.827 -4.075 -13.358 470 HB2 LYS 57 HB1 LYS 57 -4.866 -1.459 -14.455 471 HB3 LYS 57 HB2 LYS 57 -3.994 -2.629 -15.473 472 HG2 LYS 57 HG1 LYS 57 -6.094 -3.372 -15.904 473 HG3 LYS 57 HG2 LYS 57 -5.836 -4.279 -14.396 474 HD2 LYS 57 HD1 LYS 57 -8.009 -3.290 -14.256 475 HD3 LYS 57 HD2 LYS 57 -6.947 -2.359 -13.173 476 HE2 LYS 57 HE1 LYS 57 -6.592 -0.775 -15.197 477 HE3 LYS 57 HE2 LYS 57 -8.004 -1.583 -15.913 478 HZ1 LYS 57 HZ1 LYS 57 -8.620 0.378 -14.708 479 HZ2 LYS 57 HZ2 LYS 57 -9.261 -0.957 -13.982 480 HZ3 LYS 57 HZ3 LYS 57 -7.951 -0.206 -13.317 481 H SER 58 H SER 58 -2.640 -0.851 -12.416 482 HA SER 58 HA SER 58 -0.394 -0.948 -14.215 483 HB2 SER 58 HB1 SER 58 -1.316 0.993 -12.121 484 HB3 SER 58 HB2 SER 58 0.308 1.137 -12.838 485 HG SER 58 HG SER 58 -1.292 2.300 -14.019 486 H LEU 59 H LEU 59 -0.741 -1.957 -10.843 487 HA LEU 59 HA LEU 59 1.988 -2.667 -10.374 488 HB2 LEU 59 HB1 LEU 59 -0.714 -3.878 -9.649 489 HB3 LEU 59 HB2 LEU 59 0.828 -4.491 -9.004 490 HG LEU 59 HG LEU 59 -0.485 -1.815 -8.504 491 HD11 LEU 59 HD11 LEU 59 -0.421 -2.562 -6.152 492 HD12 LEU 59 HD12 LEU 59 -1.293 -3.721 -7.183 493 HD13 LEU 59 HD13 LEU 59 0.369 -4.075 -6.656 494 HD21 LEU 59 HD21 LEU 59 1.451 -1.164 -7.128 495 HD22 LEU 59 HD22 LEU 59 2.306 -2.634 -7.642 496 HD23 LEU 59 HD23 LEU 59 1.900 -1.375 -8.834 497 H ASP 60 H ASP 60 -0.674 -4.193 -12.197 498 HA ASP 60 HA ASP 60 0.746 -6.637 -12.615 499 HB2 ASP 60 HB1 ASP 60 -1.896 -5.820 -12.721 500 HB3 ASP 60 HB2 ASP 60 -1.508 -6.254 -14.398 501 H LYS 61 H LYS 61 0.627 -3.668 -14.468 502 HA LYS 61 HA LYS 61 1.666 -4.551 -16.915 503 HB2 LYS 61 HB1 LYS 61 2.060 -1.966 -15.395 504 HB3 LYS 61 HB2 LYS 61 2.620 -2.224 -17.065 505 HG2 LYS 61 HG1 LYS 61 0.259 -2.876 -17.676 506 HG3 LYS 61 HG2 LYS 61 -0.243 -2.404 -16.036 507 HD2 LYS 61 HD1 LYS 61 0.625 -0.666 -18.340 508 HD3 LYS 61 HD2 LYS 61 -0.799 -0.518 -17.281 509 HE2 LYS 61 HE1 LYS 61 1.038 -0.228 -15.394 510 HE3 LYS 61 HE2 LYS 61 2.067 0.246 -16.764 511 HZ1 LYS 61 HZ1 LYS 61 1.007 2.138 -15.749 512 HZ2 LYS 61 HZ2 LYS 61 0.467 1.944 -17.294 513 HZ3 LYS 61 HZ3 LYS 61 -0.488 1.505 -16.023 514 H ASN 62 H ASN 62 3.307 -4.491 -13.850 515 HA ASN 62 HA ASN 62 5.792 -5.521 -15.066 516 HB2 ASN 62 HB1 ASN 62 5.611 -3.078 -13.277 517 HB3 ASN 62 HB2 ASN 62 7.106 -4.020 -13.467 518 HD21 ASN 62 HD21 ASN 62 4.852 -1.812 -14.981 519 HD22 ASN 62 HD22 ASN 62 5.803 -1.488 -16.416 520 H SER 63 H SER 63 3.981 -7.166 -13.895 521 HA SER 63 HA SER 63 3.755 -6.811 -11.052 522 HB2 SER 63 HB1 SER 63 2.647 -9.271 -11.489 523 HB3 SER 63 HB2 SER 63 1.791 -7.722 -11.686 524 HG SER 63 HG SER 63 1.552 -9.107 -13.508 525 H ASP 64 H ASP 64 5.678 -8.920 -13.049 526 HA ASP 64 HA ASP 64 5.874 -10.959 -10.887 527 HB2 ASP 64 HB1 ASP 64 5.983 -11.256 -13.903 528 HB3 ASP 64 HB2 ASP 64 6.141 -12.573 -12.722 529 H GLN 65 H GLN 65 7.177 -8.634 -10.932 530 HA GLN 65 HA GLN 65 10.085 -9.212 -11.172 531 HB2 GLN 65 HB1 GLN 65 8.436 -6.645 -11.271 532 HB3 GLN 65 HB2 GLN 65 10.213 -6.727 -11.333 533 HG2 GLN 65 HG1 GLN 65 10.115 -7.844 -13.505 534 HG3 GLN 65 HG2 GLN 65 8.339 -7.873 -13.434 535 HE21 GLN 65 HE12 GLN 65 8.346 -6.623 -15.498 536 HE22 GLN 65 HE22 GLN 65 8.623 -4.898 -15.443 537 H GLU 66 H GLU 66 11.311 -8.111 -9.319 538 HA GLU 66 HA GLU 66 9.694 -8.207 -6.869 539 HB2 GLU 66 HB1 GLU 66 12.683 -7.928 -7.259 540 HB3 GLU 66 HB2 GLU 66 11.874 -7.876 -5.674 541 HG2 GLU 66 HG1 GLU 66 10.992 -10.177 -6.112 542 HG3 GLU 66 HG2 GLU 66 11.945 -10.217 -7.611 543 H ILE 67 H ILE 67 9.315 -6.574 -5.485 544 HA ILE 67 HA ILE 67 10.512 -3.921 -6.051 545 HB ILE 67 HB ILE 67 8.631 -3.028 -4.607 546 HG12 ILE 67 HG13 ILE 67 6.970 -5.400 -5.342 547 HG13 ILE 67 HG12 ILE 67 7.962 -5.463 -3.865 548 HG21 ILE 67 HG21 ILE 67 7.095 -2.911 -6.514 549 HG22 ILE 67 HG22 ILE 67 8.791 -2.729 -7.017 550 HG23 ILE 67 HG23 ILE 67 7.945 -4.274 -7.277 551 HD11 ILE 67 HD11 ILE 67 5.674 -4.657 -3.367 552 HD12 ILE 67 HD12 ILE 67 6.886 -3.393 -3.052 553 HD13 ILE 67 HD13 ILE 67 5.895 -3.328 -4.529 554 H ASP 68 H ASP 68 11.047 -2.582 -4.367 555 HA ASP 68 HA ASP 68 11.746 -3.688 -1.770 556 HB2 ASP 68 HB1 ASP 68 12.625 -1.429 -1.393 557 HB3 ASP 68 HB2 ASP 68 13.166 -2.059 -2.963 558 H PHE 69 H PHE 69 11.185 -2.226 0.165 559 HA PHE 69 HA PHE 69 8.396 -2.236 0.733 560 HB2 PHE 69 HB1 PHE 69 10.592 -2.310 2.176 561 HB3 PHE 69 HB2 PHE 69 10.445 -0.544 2.157 562 HD1 PHE 69 HD2 PHE 69 8.520 0.570 3.317 563 HD2 PHE 69 HD1 PHE 69 9.111 -3.691 3.469 564 HE1 PHE 69 HE2 PHE 69 7.197 0.467 5.420 565 HE2 PHE 69 HE1 PHE 69 7.751 -3.799 5.546 566 HZ PHE 69 HZ PHE 69 6.881 -1.712 6.572 567 H LYS 70 H LYS 70 10.235 0.102 -1.067 568 HA LYS 70 HA LYS 70 8.790 2.482 -0.220 569 HB2 LYS 70 HB1 LYS 70 11.144 2.376 -0.998 570 HB3 LYS 70 HB2 LYS 70 10.560 1.904 -2.611 571 HG2 LYS 70 HG1 LYS 70 9.216 4.201 -2.381 572 HG3 LYS 70 HG2 LYS 70 10.562 4.578 -1.278 573 HD2 LYS 70 HD1 LYS 70 11.280 5.307 -3.441 574 HD3 LYS 70 HD2 LYS 70 12.132 3.774 -3.143 575 HE2 LYS 70 HE1 LYS 70 9.500 3.472 -4.459 576 HE3 LYS 70 HE2 LYS 70 10.691 4.381 -5.415 577 HZ1 LYS 70 HZ1 LYS 70 10.750 2.042 -5.911 578 HZ2 LYS 70 HZ2 LYS 70 12.170 2.516 -5.227 579 HZ3 LYS 70 HZ3 LYS 70 11.065 1.672 -4.339 580 H GLU 71 H GLU 71 8.773 0.394 -3.134 581 HA GLU 71 HA GLU 71 6.749 1.717 -4.616 582 HB2 GLU 71 HB1 GLU 71 7.634 -1.190 -4.448 583 HB3 GLU 71 HB2 GLU 71 6.567 -0.539 -5.716 584 HG2 GLU 71 HG1 GLU 71 9.350 0.526 -5.162 585 HG3 GLU 71 HG2 GLU 71 9.014 -0.768 -6.332 586 H TYR 72 H TYR 72 6.610 -0.530 -1.939 587 HA TYR 72 HA TYR 72 3.736 -0.863 -1.874 588 HB2 TYR 72 HB1 TYR 72 4.927 -2.560 -0.879 589 HB3 TYR 72 HB2 TYR 72 6.134 -1.463 -0.191 590 HD1 TYR 72 HD2 TYR 72 2.390 -1.956 0.232 591 HD2 TYR 72 HD1 TYR 72 6.240 -1.430 2.086 592 HE1 TYR 72 HE2 TYR 72 1.380 -2.368 2.467 593 HE2 TYR 72 HE1 TYR 72 5.248 -1.932 4.303 594 HH TYR 72 HH TYR 72 1.803 -2.849 4.684 595 H SER 73 H SER 73 5.978 1.191 0.157 596 HA SER 73 HA SER 73 3.816 2.290 1.672 597 HB2 SER 73 HB1 SER 73 5.520 3.796 2.591 598 HB3 SER 73 HB2 SER 73 6.116 2.120 2.515 599 HG SER 73 HG SER 73 7.647 3.644 1.757 600 H VAL 74 H VAL 74 5.503 3.536 -1.268 601 HA VAL 74 HA VAL 74 4.295 6.067 -1.336 602 HB VAL 74 HB VAL 74 4.395 6.022 -3.773 603 HG11 VAL 74 HG11 VAL 74 6.833 5.950 -4.003 604 HG12 VAL 74 HG12 VAL 74 6.322 6.726 -2.490 605 HG13 VAL 74 HG13 VAL 74 6.942 5.058 -2.473 606 HG21 VAL 74 HG21 VAL 74 5.390 4.197 -5.075 607 HG22 VAL 74 HG22 VAL 74 5.427 3.192 -3.614 608 HG23 VAL 74 HG23 VAL 74 3.870 3.720 -4.297 609 H PHE 75 H PHE 75 2.892 2.905 -2.102 610 HA PHE 75 HA PHE 75 0.747 3.899 -3.784 611 HB2 PHE 75 HB1 PHE 75 2.034 1.678 -3.820 612 HB3 PHE 75 HB2 PHE 75 1.082 1.218 -2.399 613 HD1 PHE 75 HD2 PHE 75 -1.570 1.392 -2.718 614 HD2 PHE 75 HD1 PHE 75 1.298 1.149 -5.917 615 HE1 PHE 75 HE2 PHE 75 -3.265 0.271 -4.145 616 HE2 PHE 75 HE1 PHE 75 -0.428 0.129 -7.375 617 HZ PHE 75 HZ PHE 75 -2.667 -0.434 -6.459 618 H LEU 76 H LEU 76 0.915 2.401 -0.508 619 HA LEU 76 HA LEU 76 -1.723 2.863 0.338 620 HB2 LEU 76 HB1 LEU 76 0.929 2.798 1.802 621 HB3 LEU 76 HB2 LEU 76 -0.624 2.981 2.652 622 HG LEU 76 HG LEU 76 0.136 0.614 0.899 623 HD11 LEU 76 HD11 LEU 76 0.354 -0.584 3.060 624 HD12 LEU 76 HD12 LEU 76 1.499 0.775 2.965 625 HD13 LEU 76 HD13 LEU 76 0.015 0.930 3.934 626 HD21 LEU 76 HD21 LEU 76 -1.862 -0.447 1.909 627 HD22 LEU 76 HD22 LEU 76 -2.215 1.058 2.789 628 HD23 LEU 76 HD23 LEU 76 -2.303 1.022 1.012 629 H THR 77 H THR 77 1.153 5.031 0.530 630 HA THR 77 HA THR 77 -0.339 7.072 1.941 631 HB THR 77 HB THR 77 2.371 7.319 0.601 632 HG1 THR 77 HG1 THR 77 3.056 6.860 2.749 633 HG21 THR 77 HG21 THR 77 2.631 9.150 2.260 634 HG22 THR 77 HG22 THR 77 1.252 9.467 1.178 635 HG23 THR 77 HG23 THR 77 0.969 8.871 2.832 636 H MET 78 H MET 78 0.579 6.559 -1.471 637 HA MET 78 HA MET 78 -0.358 8.980 -2.558 638 HB2 MET 78 HB1 MET 78 0.968 7.457 -3.864 639 HB3 MET 78 HB2 MET 78 -0.255 6.173 -3.704 640 HG2 MET 78 HG1 MET 78 -1.664 7.123 -5.248 641 HG3 MET 78 HG2 MET 78 -1.052 8.762 -4.967 642 HE1 MET 78 HE1 MET 78 0.913 5.487 -7.559 643 HE2 MET 78 HE2 MET 78 0.733 5.339 -5.794 644 HE3 MET 78 HE3 MET 78 -0.711 5.406 -6.833 645 H LEU 79 H LEU 79 -2.204 5.875 -2.054 646 HA LEU 79 HA LEU 79 -4.620 7.021 -3.065 647 HB2 LEU 79 HB1 LEU 79 -3.839 4.488 -2.391 648 HB3 LEU 79 HB2 LEU 79 -4.949 4.886 -1.058 649 HG LEU 79 HG LEU 79 -6.216 3.793 -2.741 650 HD11 LEU 79 HD11 LEU 79 -7.910 5.432 -3.484 651 HD12 LEU 79 HD12 LEU 79 -7.432 5.700 -1.796 652 HD13 LEU 79 HD13 LEU 79 -6.794 6.752 -3.083 653 HD21 LEU 79 HD21 LEU 79 -6.274 4.515 -5.108 654 HD22 LEU 79 HD22 LEU 79 -5.095 5.793 -4.740 655 HD23 LEU 79 HD23 LEU 79 -4.627 4.082 -4.597 656 H CYS 80 H CYS 80 -3.265 6.838 0.273 657 HA CYS 80 HA CYS 80 -5.510 8.006 1.547 658 HB2 CYS 80 HB1 CYS 80 -3.440 6.872 2.575 659 HB3 CYS 80 HB2 CYS 80 -2.661 8.469 2.440 660 HG CYS 80 HG CYS 80 -3.557 8.119 4.879 661 H MET 81 H MET 81 -2.591 9.705 0.160 662 HA MET 81 HA MET 81 -3.641 12.247 0.947 663 HB2 MET 81 HB1 MET 81 -1.818 13.262 -0.175 664 HB3 MET 81 HB2 MET 81 -1.269 11.846 0.754 665 HG2 MET 81 HG1 MET 81 -0.025 11.826 -1.205 666 HG3 MET 81 HG2 MET 81 -1.259 10.571 -1.408 667 HE1 MET 81 HE1 MET 81 -1.434 14.682 -3.547 668 HE2 MET 81 HE2 MET 81 -1.847 14.438 -1.834 669 HE3 MET 81 HE3 MET 81 -0.166 14.234 -2.384 670 H ALA 82 H ALA 82 -4.179 10.303 -1.903 671 HA ALA 82 HA ALA 82 -5.526 12.328 -3.400 672 HB1 ALA 82 HB1 ALA 82 -6.350 10.420 -4.720 673 HB2 ALA 82 HB2 ALA 82 -4.607 10.286 -4.385 674 HB3 ALA 82 HB3 ALA 82 -5.770 9.303 -3.462 675 H TYR 83 H TYR 83 -6.499 11.141 -0.398 676 HA TYR 83 HA TYR 83 -9.076 12.464 -0.887 677 HB2 TYR 83 HB1 TYR 83 -10.330 10.853 0.421 678 HB3 TYR 83 HB2 TYR 83 -9.598 10.122 -1.018 679 HD1 TYR 83 HD1 TYR 83 -9.071 10.468 2.702 680 HD2 TYR 83 HD2 TYR 83 -8.498 8.088 -0.836 681 HE1 TYR 83 HE1 TYR 83 -8.065 8.670 4.083 682 HE2 TYR 83 HE2 TYR 83 -7.697 6.204 0.563 683 HH TYR 83 HH TYR 83 -7.020 5.546 2.642 684 H ASN 84 H ASN 84 -6.315 12.804 0.721 685 HA ASN 84 HA ASN 84 -7.314 13.488 3.364 686 HB2 ASN 84 HB1 ASN 84 -4.624 13.794 2.029 687 HB3 ASN 84 HB2 ASN 84 -4.967 14.428 3.652 688 HD21 ASN 84 HD21 ASN 84 -2.906 12.628 3.361 689 HD22 ASN 84 HD22 ASN 84 -3.350 11.090 4.086 690 H ASP 85 H ASP 85 -7.792 15.025 0.492 691 HA ASP 85 HA ASP 85 -7.693 17.751 1.286 692 HB2 ASP 85 HB1 ASP 85 -9.225 18.117 -0.577 693 HB3 ASP 85 HB2 ASP 85 -7.931 16.993 -1.043 694 H PHE 86 H PHE 86 -9.863 15.185 2.255 695 HA PHE 86 HA PHE 86 -11.954 16.750 3.358 696 HB2 PHE 86 HB1 PHE 86 -10.804 14.018 3.872 697 HB3 PHE 86 HB2 PHE 86 -12.054 14.670 4.946 698 HD1 PHE 86 HD2 PHE 86 -11.386 14.124 1.265 699 HD2 PHE 86 HD1 PHE 86 -14.304 14.306 4.425 700 HE1 PHE 86 HE2 PHE 86 -13.169 13.505 -0.346 701 HE2 PHE 86 HE1 PHE 86 -16.077 13.628 2.823 702 HZ PHE 86 HZ PHE 86 -15.517 13.247 0.431 703 H PHE 87 H PHE 87 -8.647 16.813 4.264 704 HA PHE 87 HA PHE 87 -9.270 17.956 6.908 705 HB2 PHE 87 HB1 PHE 87 -6.607 17.612 5.495 706 HB3 PHE 87 HB2 PHE 87 -6.851 18.070 7.189 707 HD1 PHE 87 HD2 PHE 87 -8.902 16.059 8.057 708 HD2 PHE 87 HD1 PHE 87 -5.380 15.630 5.614 709 HE1 PHE 87 HE2 PHE 87 -8.733 13.670 8.712 710 HE2 PHE 87 HE1 PHE 87 -5.209 13.243 6.278 711 HZ PHE 87 HZ PHE 87 -6.894 12.256 7.817 712 H LEU 88 H LEU 88 -9.500 19.237 3.844 713 HA LEU 88 HA LEU 88 -7.792 21.607 4.336 714 HB2 LEU 88 HB1 LEU 88 -7.915 19.769 2.235 715 HB3 LEU 88 HB2 LEU 88 -8.656 21.253 1.587 716 HG LEU 88 HG LEU 88 -5.934 21.082 2.920 717 HD11 LEU 88 HD11 LEU 88 -5.032 21.350 0.638 718 HD12 LEU 88 HD12 LEU 88 -6.015 19.875 0.779 719 HD13 LEU 88 HD13 LEU 88 -6.684 21.318 -0.020 720 HD21 LEU 88 HD21 LEU 88 -5.564 23.370 2.084 721 HD22 LEU 88 HD22 LEU 88 -7.224 23.404 1.449 722 HD23 LEU 88 HD23 LEU 88 -6.942 23.297 3.203 723 H GLU 89 H GLU 89 -9.191 22.964 2.021 724 HA GLU 89 HA GLU 89 -11.962 23.451 2.811 725 HB2 GLU 89 HB1 GLU 89 -9.854 25.639 2.752 726 HB3 GLU 89 HB2 GLU 89 -11.591 25.962 2.536 727 HG2 GLU 89 HG1 GLU 89 -11.380 26.472 4.733 728 HG3 GLU 89 HG2 GLU 89 -11.762 24.743 4.872 729 H ASP 90 H ASP 90 -9.200 23.883 0.630 730 HA ASP 90 HA ASP 90 -10.842 24.307 -1.771 731 HB2 ASP 90 HB1 ASP 90 -10.664 26.530 -0.657 732 HB3 ASP 90 HB2 ASP 90 -8.893 26.391 -0.717 733 H ASN 91 H ASN 91 -9.221 24.427 -3.725 734 HA ASN 91 HA ASN 91 -7.327 22.255 -3.447 735 HB2 ASN 91 HB1 ASN 91 -7.975 24.044 -5.810 736 HB3 ASN 91 HB2 ASN 91 -7.026 22.543 -5.868 737 HD21 ASN 91 HD21 ASN 91 -8.969 21.214 -3.920 738 HD22 ASN 91 HD22 ASN 91 -10.357 20.812 -4.920 739 H LYS 92 H LYS 92 -6.132 23.734 -1.746 740 HA LYS 92 HA LYS 92 -3.658 24.723 -3.008 741 HB2 LYS 92 HB1 LYS 92 -5.318 26.296 -1.008 742 HB3 LYS 92 HB2 LYS 92 -3.587 26.598 -1.291 743 HG2 LYS 92 HG1 LYS 92 -4.421 28.121 -2.759 744 HG3 LYS 92 HG2 LYS 92 -4.440 26.701 -3.832 745 HD2 LYS 92 HD1 LYS 92 -6.887 26.387 -2.891 746 HD3 LYS 92 HD2 LYS 92 -6.740 28.114 -2.487 747 HE2 LYS 92 HE1 LYS 92 -6.168 28.636 -4.823 748 HE3 LYS 92 HE2 LYS 92 -6.223 26.910 -5.243 749 HZ1 LYS 92 HZ1 LYS 92 -8.251 28.029 -5.820 750 HZ2 LYS 92 HZ2 LYS 92 -8.540 26.902 -4.648 751 HZ3 LYS 92 HZ3 LYS 92 -8.490 28.504 -4.258 752 HA MET 1 HA MET 1 -14.189 1.603 8.441 753 HB2 MET 1 HB1 MET 1 -12.758 1.157 6.318 754 HB3 MET 1 HB2 MET 1 -11.818 0.069 7.366 755 HG2 MET 1 HG1 MET 1 -13.569 -1.207 6.258 756 HG3 MET 1 HG2 MET 1 -13.920 -1.105 7.991 757 HE1 MET 1 HE1 MET 1 -16.732 -0.224 4.637 758 HE2 MET 1 HE2 MET 1 -14.978 -0.171 4.360 759 HE3 MET 1 HE3 MET 1 -15.725 -1.627 5.058 760 H GLU 2 H GLU 2 -12.186 -0.954 9.022 761 HA GLU 2 HA GLU 2 -10.868 -0.123 11.470 762 HB2 GLU 2 HB1 GLU 2 -13.100 -0.602 12.366 763 HB3 GLU 2 HB2 GLU 2 -13.079 -2.204 11.592 764 HG2 GLU 2 HG1 GLU 2 -12.572 -2.329 14.014 765 HG3 GLU 2 HG2 GLU 2 -11.216 -2.902 13.017 766 H THR 3 H THR 3 -8.969 -0.733 10.610 767 HA THR 3 HA THR 3 -8.427 -3.615 10.335 768 HB THR 3 HB THR 3 -7.297 -3.497 8.283 769 HG1 THR 3 HG1 THR 3 -6.978 -1.499 7.218 770 HG21 THR 3 HG21 THR 3 -8.866 -2.700 6.549 771 HG22 THR 3 HG22 THR 3 -9.701 -3.592 7.834 772 HG23 THR 3 HG23 THR 3 -9.766 -1.814 7.792 773 HA PRO 4 HA PRO 4 -4.924 -2.437 12.700 774 HB2 PRO 4 HB1 PRO 4 -2.839 -4.033 11.825 775 HB3 PRO 4 HB2 PRO 4 -4.210 -4.603 12.831 776 HG2 PRO 4 HG1 PRO 4 -3.914 -4.791 9.829 777 HG3 PRO 4 HG2 PRO 4 -4.402 -6.085 10.971 778 HD2 PRO 4 HD1 PRO 4 -6.257 -4.673 9.581 779 HD3 PRO 4 HD2 PRO 4 -6.542 -5.079 11.301 780 H LEU 5 H LEU 5 -4.020 -2.623 9.175 781 HA LEU 5 HA LEU 5 -1.928 -0.684 9.429 782 HB2 LEU 5 HB1 LEU 5 -2.033 -2.267 7.613 783 HB3 LEU 5 HB2 LEU 5 -3.564 -1.559 7.046 784 HG LEU 5 HG LEU 5 -1.462 -1.073 5.756 785 HD11 LEU 5 HD11 LEU 5 -2.140 1.192 5.124 786 HD12 LEU 5 HD12 LEU 5 -3.526 0.107 5.345 787 HD13 LEU 5 HD13 LEU 5 -3.118 1.300 6.601 788 HD21 LEU 5 HD21 LEU 5 0.001 0.772 6.419 789 HD22 LEU 5 HD22 LEU 5 -0.835 0.859 7.981 790 HD23 LEU 5 HD23 LEU 5 0.086 -0.598 7.541 791 H GLU 6 H GLU 6 -5.477 -0.287 8.854 792 HA GLU 6 HA GLU 6 -5.327 2.454 8.170 793 HB2 GLU 6 HB1 GLU 6 -7.317 1.023 7.922 794 HB3 GLU 6 HB2 GLU 6 -7.525 1.038 9.690 795 HG2 GLU 6 HG1 GLU 6 -7.935 3.411 9.694 796 HG3 GLU 6 HG2 GLU 6 -7.485 3.547 7.980 797 H LYS 7 H LYS 7 -4.980 0.917 11.388 798 HA LYS 7 HA LYS 7 -5.190 3.427 12.822 799 HB2 LYS 7 HB1 LYS 7 -3.639 1.093 13.898 800 HB3 LYS 7 HB2 LYS 7 -4.696 2.248 14.747 801 HG2 LYS 7 HG1 LYS 7 -5.508 -0.116 13.052 802 HG3 LYS 7 HG2 LYS 7 -5.715 0.098 14.807 803 HD2 LYS 7 HD1 LYS 7 -7.059 2.078 13.021 804 HD3 LYS 7 HD2 LYS 7 -7.716 0.423 13.058 805 HE2 LYS 7 HE1 LYS 7 -7.615 0.686 15.652 806 HE3 LYS 7 HE2 LYS 7 -7.477 2.426 15.316 807 HZ1 LYS 7 HZ1 LYS 7 -9.748 1.756 15.616 808 HZ2 LYS 7 HZ2 LYS 7 -9.514 2.282 14.071 809 HZ3 LYS 7 HZ3 LYS 7 -9.642 0.668 14.382 810 H ALA 8 H ALA 8 -2.536 1.648 11.303 811 HA ALA 8 HA ALA 8 -0.437 3.411 12.210 812 HB1 ALA 8 HB1 ALA 8 0.914 2.191 10.566 813 HB2 ALA 8 HB2 ALA 8 -0.035 1.082 11.587 814 HB3 ALA 8 HB3 ALA 8 -0.558 1.424 9.920 815 H LEU 9 H LEU 9 -2.118 3.151 8.949 816 HA LEU 9 HA LEU 9 -1.105 5.559 7.939 817 HB2 LEU 9 HB1 LEU 9 -3.279 3.734 7.336 818 HB3 LEU 9 HB2 LEU 9 -3.727 5.422 6.990 819 HG LEU 9 HG LEU 9 -2.770 4.218 5.048 820 HD11 LEU 9 HD11 LEU 9 -1.198 5.990 4.329 821 HD12 LEU 9 HD12 LEU 9 -2.614 6.669 5.163 822 HD13 LEU 9 HD13 LEU 9 -1.056 6.536 6.013 823 HD21 LEU 9 HD21 LEU 9 -0.346 3.736 4.929 824 HD22 LEU 9 HD22 LEU 9 -0.174 4.217 6.630 825 HD23 LEU 9 HD23 LEU 9 -1.140 2.785 6.201 826 H THR 10 H THR 10 -4.039 5.196 10.057 827 HA THR 10 HA THR 10 -4.681 7.898 10.372 828 HB THR 10 HB THR 10 -4.682 5.765 12.532 829 HG1 THR 10 HG1 THR 10 -6.898 5.697 11.921 830 HG21 THR 10 HG21 THR 10 -6.399 7.195 13.626 831 HG22 THR 10 HG22 THR 10 -4.850 8.056 13.484 832 HG23 THR 10 HG23 THR 10 -6.180 8.421 12.358 833 H THR 11 H THR 11 -2.284 6.022 12.347 834 HA THR 11 HA THR 11 -1.374 8.118 13.962 835 HB THR 11 HB THR 11 0.088 5.701 12.872 836 HG1 THR 11 HG1 THR 11 -0.430 4.943 14.981 837 HG21 THR 11 HG21 THR 11 1.671 5.933 14.766 838 HG22 THR 11 HG22 THR 11 1.765 7.327 13.670 839 HG23 THR 11 HG23 THR 11 0.892 7.464 15.217 840 H MET 12 H MET 12 -0.186 7.188 10.699 841 HA MET 12 HA MET 12 1.908 9.116 10.586 842 HB2 MET 12 HB1 MET 12 0.377 7.675 8.392 843 HB3 MET 12 HB2 MET 12 1.834 8.661 8.123 844 HG2 MET 12 HG1 MET 12 3.160 7.202 9.521 845 HG3 MET 12 HG2 MET 12 1.722 6.301 10.032 846 HE1 MET 12 HE1 MET 12 4.486 5.382 6.600 847 HE2 MET 12 HE2 MET 12 4.250 7.065 7.122 848 HE3 MET 12 HE3 MET 12 4.798 5.839 8.290 849 H VAL 13 H VAL 13 -1.548 9.329 9.415 850 HA VAL 13 HA VAL 13 -1.077 11.997 8.446 851 HB VAL 13 HB VAL 13 -3.457 12.296 8.215 852 HG11 VAL 13 HG11 VAL 13 -3.836 10.556 6.492 853 HG12 VAL 13 HG12 VAL 13 -2.177 11.187 6.434 854 HG13 VAL 13 HG13 VAL 13 -2.504 9.602 7.176 855 HG21 VAL 13 HG21 VAL 13 -5.094 10.496 8.614 856 HG22 VAL 13 HG22 VAL 13 -3.821 9.526 9.376 857 HG23 VAL 13 HG23 VAL 13 -4.342 11.056 10.120 858 H THR 14 H THR 14 -2.135 10.746 11.597 859 HA THR 14 HA THR 14 -2.776 13.248 12.809 860 HB THR 14 HB THR 14 -1.779 10.674 14.071 861 HG1 THR 14 HG1 THR 14 -4.045 10.325 14.292 862 HG21 THR 14 HG21 THR 14 -3.036 11.409 16.082 863 HG22 THR 14 HG22 THR 14 -1.748 12.562 15.671 864 HG23 THR 14 HG23 THR 14 -3.441 12.931 15.262 865 H THR 15 H THR 15 0.370 11.603 12.331 866 HA THR 15 HA THR 15 1.768 13.491 14.037 867 HB THR 15 HB THR 15 3.779 12.441 12.562 868 HG1 THR 15 HG1 THR 15 3.287 10.211 12.340 869 HG21 THR 15 HG21 THR 15 4.052 10.833 14.434 870 HG22 THR 15 HG22 THR 15 3.552 12.432 15.028 871 HG23 THR 15 HG23 THR 15 2.363 11.113 14.912 872 H PHE 16 H PHE 16 1.794 12.976 10.471 873 HA PHE 16 HA PHE 16 3.254 15.222 9.710 874 HB2 PHE 16 HB1 PHE 16 2.669 13.290 8.327 875 HB3 PHE 16 HB2 PHE 16 0.964 13.773 8.341 876 HD1 PHE 16 HD2 PHE 16 0.187 15.702 7.036 877 HD2 PHE 16 HD1 PHE 16 4.265 14.346 6.809 878 HE1 PHE 16 HE2 PHE 16 0.508 17.008 4.953 879 HE2 PHE 16 HE1 PHE 16 4.541 15.546 4.651 880 HZ PHE 16 HZ PHE 16 2.684 16.940 3.752 881 H HIS 17 H HIS 17 -0.304 15.129 10.378 882 HA HIS 17 HA HIS 17 -0.771 17.728 9.260 883 HB2 HIS 17 HB1 HIS 17 -2.507 16.013 9.486 884 HB3 HIS 17 HB2 HIS 17 -2.427 16.162 11.252 885 HD1 HIS 17 HD1 HIS 17 -4.248 17.737 12.178 886 HD2 HIS 17 HD2 HIS 17 -3.021 18.680 8.272 887 HE1 HIS 17 HE1 HIS 17 -5.586 19.794 11.472 888 HE2 HIS 17 HE2 HIS 17 -4.892 20.363 9.072 889 H LYS 18 H LYS 18 0.496 16.771 12.391 890 HA LYS 18 HA LYS 18 -0.114 19.190 13.809 891 HB2 LYS 18 HB1 LYS 18 0.504 16.815 14.554 892 HB3 LYS 18 HB2 LYS 18 2.193 17.298 14.265 893 HG2 LYS 18 HG1 LYS 18 0.728 19.155 15.998 894 HG3 LYS 18 HG2 LYS 18 0.828 17.500 16.645 895 HD2 LYS 18 HD1 LYS 18 3.358 17.656 16.079 896 HD3 LYS 18 HD2 LYS 18 3.077 19.408 15.954 897 HE2 LYS 18 HE1 LYS 18 3.794 19.033 18.196 898 HE3 LYS 18 HE2 LYS 18 2.036 19.267 18.290 899 HZ1 LYS 18 HZ1 LYS 18 2.753 17.395 19.600 900 HZ2 LYS 18 HZ2 LYS 18 1.787 16.884 18.366 901 HZ3 LYS 18 HZ3 LYS 18 3.419 16.665 18.279 902 H TYR 19 H TYR 19 1.846 18.827 11.126 903 HA TYR 19 HA TYR 19 3.512 21.198 11.753 904 HB2 TYR 19 HB1 TYR 19 4.415 18.677 10.328 905 HB3 TYR 19 HB2 TYR 19 5.387 20.141 10.561 906 HD1 TYR 19 HD2 TYR 19 3.667 17.368 12.371 907 HD2 TYR 19 HD1 TYR 19 6.654 20.460 12.583 908 HE1 TYR 19 HE2 TYR 19 4.559 16.344 14.443 909 HE2 TYR 19 HE1 TYR 19 7.548 19.447 14.674 910 HH TYR 19 HH TYR 19 6.126 16.463 16.098 911 H SER 20 H SER 20 1.825 19.310 9.203 912 HA SER 20 HA SER 20 2.153 21.459 7.258 913 HB2 SER 20 HB1 SER 20 0.360 20.124 6.017 914 HB3 SER 20 HB2 SER 20 1.925 19.323 6.297 915 HG SER 20 HG SER 20 0.133 17.956 6.751 916 H GLY 21 H GLY 21 -0.355 20.455 9.584 917 HA2 GLY 21 HA2 GLY 21 -1.596 22.601 8.671 918 H ARG 22 H ARG 22 0.077 23.682 9.153 919 HA ARG 22 HA ARG 22 -0.473 25.381 11.521 920 HB2 ARG 22 HB1 ARG 22 2.032 24.823 9.877 921 HB3 ARG 22 HB2 ARG 22 1.942 26.093 11.122 922 HG2 ARG 22 HG1 ARG 22 1.347 24.364 12.808 923 HG3 ARG 22 HG2 ARG 22 1.514 23.109 11.557 924 HD2 ARG 22 HD1 ARG 22 3.878 23.650 11.273 925 HD3 ARG 22 HD2 ARG 22 3.737 25.012 12.402 926 HE ARG 22 HE ARG 22 2.841 22.556 13.609 927 HH11 ARG 22 HH12 ARG 22 5.850 24.184 12.741 928 HH12 ARG 22 HH11 ARG 22 6.741 23.424 14.034 929 HH21 ARG 22 HH22 ARG 22 4.003 21.663 15.256 930 HH22 ARG 22 HH21 ARG 22 5.707 22.016 15.439 931 H GLU 23 H GLU 23 0.243 25.534 8.008 932 HA GLU 23 HA GLU 23 -0.711 28.112 7.467 933 HB2 GLU 23 HB1 GLU 23 1.656 28.219 9.041 934 HB3 GLU 23 HB2 GLU 23 2.136 28.643 7.381 935 HG2 GLU 23 HG1 GLU 23 -0.218 29.931 8.800 936 HG3 GLU 23 HG2 GLU 23 1.432 30.586 8.868 937 H GLY 24 H GLY 24 0.138 28.949 5.376 938 HA2 GLY 24 HA2 GLY 24 0.121 28.634 3.585 939 H SER 25 H SER 25 0.240 25.462 4.281 940 HA SER 25 HA SER 25 -2.316 25.269 3.019 941 HB2 SER 25 HB1 SER 25 -1.208 25.064 0.919 942 HB3 SER 25 HB2 SER 25 0.049 24.004 1.602 943 HG SER 25 HG SER 25 -1.555 22.846 0.434 944 H LYS 26 H LYS 26 -3.389 23.864 4.363 945 HA LYS 26 HA LYS 26 -2.061 22.541 6.476 946 HB2 LYS 26 HB1 LYS 26 -4.837 22.109 5.332 947 HB3 LYS 26 HB2 LYS 26 -4.273 21.493 6.903 948 HG2 LYS 26 HG1 LYS 26 -3.864 23.858 7.624 949 HG3 LYS 26 HG2 LYS 26 -4.578 24.409 6.089 950 HD2 LYS 26 HD1 LYS 26 -5.986 22.801 8.263 951 HD3 LYS 26 HD2 LYS 26 -6.255 24.517 7.872 952 HE2 LYS 26 HE1 LYS 26 -6.976 23.868 5.591 953 HE3 LYS 26 HE2 LYS 26 -6.737 22.158 6.010 954 HZ1 LYS 26 HZ1 LYS 26 -9.026 22.801 6.171 955 HZ2 LYS 26 HZ2 LYS 26 -8.444 22.389 7.656 956 HZ3 LYS 26 HZ3 LYS 26 -8.666 23.976 7.267 957 H LEU 27 H LEU 27 -2.141 21.548 3.297 958 HA LEU 27 HA LEU 27 -2.198 18.631 3.653 959 HB2 LEU 27 HB1 LEU 27 -3.161 20.446 1.878 960 HB3 LEU 27 HB2 LEU 27 -1.591 20.091 1.117 961 HG LEU 27 HG LEU 27 -3.445 18.879 0.167 962 HD11 LEU 27 HD11 LEU 27 -2.456 16.632 0.066 963 HD12 LEU 27 HD12 LEU 27 -1.234 17.913 -0.038 964 HD13 LEU 27 HD13 LEU 27 -1.465 17.021 1.484 965 HD21 LEU 27 HD21 LEU 27 -4.579 17.029 1.339 966 HD22 LEU 27 HD22 LEU 27 -3.701 17.446 2.824 967 HD23 LEU 27 HD23 LEU 27 -4.868 18.594 2.122 968 H THR 28 H THR 28 0.115 21.214 3.372 969 HA THR 28 HA THR 28 2.345 19.361 2.684 970 HB THR 28 HB THR 28 3.397 21.182 1.455 971 HG1 THR 28 HG1 THR 28 2.227 23.146 1.249 972 HG21 THR 28 HG21 THR 28 1.838 21.491 -0.434 973 HG22 THR 28 HG22 THR 28 1.837 19.810 0.140 974 HG23 THR 28 HG23 THR 28 0.502 20.903 0.579 975 H LEU 29 H LEU 29 4.528 20.081 3.422 976 HA LEU 29 HA LEU 29 4.634 22.383 5.245 977 HB2 LEU 29 HB1 LEU 29 5.571 21.326 7.091 978 HB3 LEU 29 HB2 LEU 29 4.207 20.284 6.618 979 HG LEU 29 HG LEU 29 7.142 19.736 6.060 980 HD11 LEU 29 HD11 LEU 29 6.863 17.932 7.740 981 HD12 LEU 29 HD12 LEU 29 6.523 19.527 8.450 982 HD13 LEU 29 HD13 LEU 29 5.181 18.444 8.009 983 HD21 LEU 29 HD21 LEU 29 6.395 17.480 5.360 984 HD22 LEU 29 HD22 LEU 29 4.704 17.971 5.602 985 HD23 LEU 29 HD23 LEU 29 5.683 18.743 4.332 986 H SER 30 H SER 30 6.992 23.006 5.768 987 HA SER 30 HA SER 30 8.421 22.930 3.257 988 HB2 SER 30 HB1 SER 30 10.059 24.376 4.346 989 HB3 SER 30 HB2 SER 30 8.392 24.951 4.594 990 HG SER 30 HG SER 30 9.663 25.052 6.503 991 H ARG 31 H ARG 31 10.685 22.217 2.883 992 HA ARG 31 HA ARG 31 11.239 19.670 4.020 993 HB2 ARG 31 HB1 ARG 31 13.526 21.192 2.887 994 HB3 ARG 31 HB2 ARG 31 13.062 19.483 2.698 995 HG2 ARG 31 HG1 ARG 31 11.045 20.616 1.345 996 HG3 ARG 31 HG2 ARG 31 12.280 21.878 1.115 997 HD2 ARG 31 HD1 ARG 31 12.288 20.347 -0.765 998 HD3 ARG 31 HD2 ARG 31 13.804 20.200 0.149 999 HE ARG 31 HE ARG 31 12.791 18.131 1.156 1000 HH11 ARG 31 HH12 ARG 31 11.470 19.149 -1.961 1001 HH12 ARG 31 HH11 ARG 31 11.140 17.513 -2.461 1002 HH21 ARG 31 HH22 ARG 31 12.433 16.046 0.386 1003 HH22 ARG 31 HH21 ARG 31 11.671 15.802 -1.165 1004 H LYS 32 H LYS 32 12.219 22.895 5.064 1005 HA LYS 32 HA LYS 32 13.934 22.231 7.199 1006 HB2 LYS 32 HB1 LYS 32 12.162 24.503 6.400 1007 HB3 LYS 32 HB2 LYS 32 12.738 24.468 8.084 1008 HG2 LYS 32 HG1 LYS 32 15.041 24.297 7.374 1009 HG3 LYS 32 HG2 LYS 32 14.558 24.034 5.681 1010 HD2 LYS 32 HD1 LYS 32 13.980 26.275 5.363 1011 HD3 LYS 32 HD2 LYS 32 13.797 26.579 7.107 1012 HE2 LYS 32 HE1 LYS 32 15.868 27.605 6.152 1013 HE3 LYS 32 HE2 LYS 32 16.204 26.428 7.440 1014 HZ1 LYS 32 HZ1 LYS 32 17.675 26.153 5.580 1015 HZ2 LYS 32 HZ2 LYS 32 16.721 24.821 5.750 1016 HZ3 LYS 32 HZ3 LYS 32 16.409 25.913 4.554 1017 H GLU 33 H GLU 33 10.296 22.533 7.330 1018 HA GLU 33 HA GLU 33 10.172 21.696 10.072 1019 HB2 GLU 33 HB1 GLU 33 8.149 21.848 7.839 1020 HB3 GLU 33 HB2 GLU 33 7.732 21.155 9.424 1021 HG2 GLU 33 HG1 GLU 33 9.108 23.762 9.578 1022 HG3 GLU 33 HG2 GLU 33 7.541 23.821 8.742 1023 H LEU 34 H LEU 34 9.921 19.806 6.979 1024 HA LEU 34 HA LEU 34 9.348 17.285 8.133 1025 HB2 LEU 34 HB1 LEU 34 9.376 17.954 5.671 1026 HB3 LEU 34 HB2 LEU 34 11.145 17.764 5.730 1027 HG LEU 34 HG LEU 34 10.314 15.400 6.841 1028 HD11 LEU 34 HD11 LEU 34 8.478 14.499 5.455 1029 HD12 LEU 34 HD12 LEU 34 7.946 15.904 6.407 1030 HD13 LEU 34 HD13 LEU 34 8.296 16.085 4.671 1031 HD21 LEU 34 HD21 LEU 34 10.850 14.324 4.682 1032 HD22 LEU 34 HD22 LEU 34 10.721 15.899 3.870 1033 HD23 LEU 34 HD23 LEU 34 12.005 15.616 5.070 1034 H LYS 35 H LYS 35 12.533 18.877 7.575 1035 HA LYS 35 HA LYS 35 14.176 16.798 8.551 1036 HB2 LYS 35 HB1 LYS 35 14.879 18.786 7.257 1037 HB3 LYS 35 HB2 LYS 35 14.543 19.810 8.673 1038 HG2 LYS 35 HG1 LYS 35 16.346 17.646 9.356 1039 HG3 LYS 35 HG2 LYS 35 16.964 18.583 7.975 1040 HD2 LYS 35 HD1 LYS 35 17.890 19.500 10.006 1041 HD3 LYS 35 HD2 LYS 35 16.716 20.665 9.348 1042 HE2 LYS 35 HE1 LYS 35 15.029 19.921 10.949 1043 HE3 LYS 35 HE2 LYS 35 16.125 18.663 11.560 1044 HZ1 LYS 35 HZ1 LYS 35 16.069 20.567 12.997 1045 HZ2 LYS 35 HZ2 LYS 35 17.570 20.391 12.343 1046 HZ3 LYS 35 HZ3 LYS 35 16.554 21.559 11.774 1047 H GLU 36 H GLU 36 12.340 19.284 10.325 1048 HA GLU 36 HA GLU 36 13.567 18.623 12.889 1049 HB2 GLU 36 HB1 GLU 36 12.781 20.906 12.071 1050 HB3 GLU 36 HB2 GLU 36 11.117 20.319 12.304 1051 HG2 GLU 36 HG1 GLU 36 11.680 21.551 14.251 1052 HG3 GLU 36 HG2 GLU 36 11.727 19.832 14.700 1053 H LEU 37 H LEU 37 10.638 17.804 11.153 1054 HA LEU 37 HA LEU 37 9.001 16.640 13.117 1055 HB2 LEU 37 HB1 LEU 37 8.233 17.302 10.942 1056 HB3 LEU 37 HB2 LEU 37 9.416 16.244 10.135 1057 HG LEU 37 HG LEU 37 8.120 14.301 11.185 1058 HD11 LEU 37 HD11 LEU 37 5.728 14.724 11.641 1059 HD12 LEU 37 HD12 LEU 37 6.770 15.606 12.779 1060 HD13 LEU 37 HD13 LEU 37 6.002 16.467 11.423 1061 HD21 LEU 37 HD21 LEU 37 6.468 14.306 9.332 1062 HD22 LEU 37 HD22 LEU 37 6.757 16.042 9.084 1063 HD23 LEU 37 HD23 LEU 37 8.059 14.869 8.775 1064 H ILE 38 H ILE 38 11.473 15.002 10.984 1065 HA ILE 38 HA ILE 38 10.520 12.419 11.808 1066 HB ILE 38 HB ILE 38 12.879 13.345 10.157 1067 HG12 ILE 38 HG13 ILE 38 10.216 12.028 9.473 1068 HG13 ILE 38 HG12 ILE 38 10.579 13.764 9.323 1069 HG21 ILE 38 HG21 ILE 38 13.158 11.009 9.399 1070 HG22 ILE 38 HG22 ILE 38 13.479 11.168 11.141 1071 HG23 ILE 38 HG23 ILE 38 11.936 10.481 10.578 1072 HD11 ILE 38 HD11 ILE 38 10.668 12.641 7.123 1073 HD12 ILE 38 HD12 ILE 38 12.259 13.266 7.599 1074 HD13 ILE 38 HD13 ILE 38 11.901 11.529 7.750 1075 H LYS 39 H LYS 39 13.429 14.267 12.822 1076 HA LYS 39 HA LYS 39 14.467 12.343 14.643 1077 HB2 LYS 39 HB1 LYS 39 14.767 15.230 14.004 1078 HB3 LYS 39 HB2 LYS 39 15.257 14.756 15.648 1079 HG2 LYS 39 HG1 LYS 39 16.279 13.292 13.203 1080 HG3 LYS 39 HG2 LYS 39 17.058 14.776 13.801 1081 HD2 LYS 39 HD1 LYS 39 17.286 13.639 16.057 1082 HD3 LYS 39 HD2 LYS 39 16.723 12.138 15.284 1083 HE2 LYS 39 HE1 LYS 39 18.616 12.101 13.794 1084 HE3 LYS 39 HE2 LYS 39 19.106 13.738 14.281 1085 HZ1 LYS 39 HZ1 LYS 39 20.453 12.061 15.320 1086 HZ2 LYS 39 HZ2 LYS 39 19.586 12.878 16.459 1087 HZ3 LYS 39 HZ3 LYS 39 19.130 11.359 16.007 1088 H LYS 40 H LYS 40 11.443 13.702 14.878 1089 HA LYS 40 HA LYS 40 11.396 13.692 17.854 1090 HB2 LYS 40 HB1 LYS 40 10.002 15.578 15.922 1091 HB3 LYS 40 HB2 LYS 40 9.703 15.519 17.677 1092 HG2 LYS 40 HG1 LYS 40 12.160 15.939 18.057 1093 HG3 LYS 40 HG2 LYS 40 12.364 16.131 16.300 1094 HD2 LYS 40 HD1 LYS 40 10.584 17.914 16.362 1095 HD3 LYS 40 HD2 LYS 40 10.597 17.793 18.138 1096 HE2 LYS 40 HE1 LYS 40 13.093 18.199 18.064 1097 HE3 LYS 40 HE2 LYS 40 12.934 18.517 16.324 1098 HZ1 LYS 40 HZ1 LYS 40 12.943 20.533 17.597 1099 HZ2 LYS 40 HZ2 LYS 40 11.488 20.337 16.851 1100 HZ3 LYS 40 HZ3 LYS 40 11.633 20.043 18.468 1101 H GLU 41 H GLU 41 9.413 13.244 14.878 1102 HA GLU 41 HA GLU 41 7.408 11.546 15.853 1103 HB2 GLU 41 HB1 GLU 41 9.143 11.359 13.364 1104 HB3 GLU 41 HB2 GLU 41 7.746 10.298 13.662 1105 HG2 GLU 41 HG1 GLU 41 6.253 12.237 13.617 1106 HG3 GLU 41 HG2 GLU 41 7.642 13.312 13.351 1107 H LEU 42 H LEU 42 10.825 10.821 15.053 1108 HA LEU 42 HA LEU 42 10.629 8.273 16.583 1109 HB2 LEU 42 HB1 LEU 42 11.131 8.523 13.859 1110 HB3 LEU 42 HB2 LEU 42 12.762 8.409 14.565 1111 HG LEU 42 HG LEU 42 10.472 6.479 15.025 1112 HD11 LEU 42 HD11 LEU 42 11.788 4.896 13.649 1113 HD12 LEU 42 HD12 LEU 42 11.379 6.368 12.741 1114 HD13 LEU 42 HD13 LEU 42 13.020 6.150 13.393 1115 HD21 LEU 42 HD21 LEU 42 12.092 4.969 16.126 1116 HD22 LEU 42 HD22 LEU 42 13.351 6.207 15.947 1117 HD23 LEU 42 HD23 LEU 42 11.941 6.513 16.987 1118 H CYS 43 H CYS 43 11.506 8.738 18.500 1119 HA CYS 43 HA CYS 43 13.314 10.983 18.799 1120 HB2 CYS 43 HB1 CYS 43 12.949 10.649 21.188 1121 HB3 CYS 43 HB2 CYS 43 11.405 10.586 20.301 1122 HG CYS 43 HG CYS 43 11.387 8.828 22.246 1123 H LEU 44 H LEU 44 14.776 9.265 17.278 1124 HA LEU 44 HA LEU 44 16.785 8.148 19.100 1125 HB2 LEU 44 HB1 LEU 44 17.990 7.451 17.097 1126 HB3 LEU 44 HB2 LEU 44 16.326 6.823 17.179 1127 HG LEU 44 HG LEU 44 16.644 9.284 15.612 1128 HD11 LEU 44 HD11 LEU 44 17.651 8.217 13.636 1129 HD12 LEU 44 HD12 LEU 44 18.762 8.227 15.022 1130 HD13 LEU 44 HD13 LEU 44 17.905 6.732 14.578 1131 HD21 LEU 44 HD21 LEU 44 15.187 8.130 14.010 1132 HD22 LEU 44 HD22 LEU 44 15.339 6.639 14.960 1133 HD23 LEU 44 HD23 LEU 44 14.542 8.066 15.662 1134 H GLY 45 H GLY 45 17.879 9.659 20.183 1135 HA2 GLY 45 HA2 GLY 45 18.962 11.374 18.477 1136 H GLU 46 H GLU 46 19.843 9.018 18.098 1137 HA GLU 46 HA GLU 46 22.712 9.384 18.099 1138 HB2 GLU 46 HB1 GLU 46 23.249 7.848 19.891 1139 HB3 GLU 46 HB2 GLU 46 22.241 9.180 20.504 1140 HG2 GLU 46 HG1 GLU 46 21.399 6.312 20.016 1141 HG3 GLU 46 HG2 GLU 46 21.601 7.128 21.581 1142 H MET 47 H MET 47 19.989 7.087 17.802 1143 HA MET 47 HA MET 47 21.444 4.716 17.499 1144 HB2 MET 47 HB1 MET 47 19.090 4.984 18.139 1145 HB3 MET 47 HB2 MET 47 18.699 5.523 16.488 1146 HG2 MET 47 HG1 MET 47 19.560 3.235 15.723 1147 HG3 MET 47 HG2 MET 47 19.489 2.766 17.430 1148 HE1 MET 47 HE1 MET 47 15.793 4.204 15.006 1149 HE2 MET 47 HE2 MET 47 17.067 5.288 15.613 1150 HE3 MET 47 HE3 MET 47 17.439 4.105 14.336 1151 H LYS 48 H LYS 48 19.989 6.660 14.825 1152 HA LYS 48 HA LYS 48 22.074 5.606 12.991 1153 HB2 LYS 48 HB1 LYS 48 19.091 5.917 12.472 1154 HB3 LYS 48 HB2 LYS 48 20.310 5.580 11.219 1155 HG2 LYS 48 HG1 LYS 48 19.725 3.810 13.588 1156 HG3 LYS 48 HG2 LYS 48 19.007 3.611 11.971 1157 HD2 LYS 48 HD1 LYS 48 21.968 3.387 12.550 1158 HD3 LYS 48 HD2 LYS 48 20.840 2.011 12.530 1159 HE2 LYS 48 HE1 LYS 48 20.288 3.184 10.115 1160 HE3 LYS 48 HE2 LYS 48 22.020 3.549 10.285 1161 HZ1 LYS 48 HZ1 LYS 48 21.656 1.471 9.151 1162 HZ2 LYS 48 HZ2 LYS 48 22.417 1.207 10.588 1163 HZ3 LYS 48 HZ3 LYS 48 20.810 0.869 10.431 1164 H GLU 49 H GLU 49 23.056 7.153 11.914 1165 HA GLU 49 HA GLU 49 21.728 9.711 11.339 1166 HB2 GLU 49 HB1 GLU 49 24.344 9.556 12.855 1167 HB3 GLU 49 HB2 GLU 49 23.713 11.027 12.078 1168 HG2 GLU 49 HG1 GLU 49 21.533 10.377 13.491 1169 HG3 GLU 49 HG2 GLU 49 22.741 9.572 14.514 1170 H SER 50 H SER 50 24.790 7.881 10.952 1171 HA SER 50 HA SER 50 25.698 9.274 8.650 1172 HB2 SER 50 HB1 SER 50 26.568 6.491 9.469 1173 HB3 SER 50 HB2 SER 50 27.538 7.795 8.744 1174 HG SER 50 HG SER 50 27.925 7.546 11.001 1175 H SER 51 H SER 51 23.382 8.872 7.670 1176 HA SER 51 HA SER 51 23.481 7.744 5.150 1177 HB2 SER 51 HB1 SER 51 22.019 5.969 7.141 1178 HB3 SER 51 HB2 SER 51 21.735 5.925 5.385 1179 HG SER 51 HG SER 51 23.219 4.324 6.086 1180 H ILE 52 H ILE 52 21.413 8.662 7.965 1181 HA ILE 52 HA ILE 52 19.435 9.837 6.160 1182 HB ILE 52 HB ILE 52 18.449 9.052 8.082 1183 HG12 ILE 52 HG13 ILE 52 18.806 12.012 8.623 1184 HG13 ILE 52 HG12 ILE 52 17.679 11.305 7.440 1185 HG21 ILE 52 HG21 ILE 52 19.088 9.542 10.412 1186 HG22 ILE 52 HG22 ILE 52 20.399 8.748 9.520 1187 HG23 ILE 52 HG23 ILE 52 20.460 10.500 9.824 1188 HD11 ILE 52 HD11 ILE 52 16.490 11.998 9.499 1189 HD12 ILE 52 HD12 ILE 52 16.424 10.240 9.270 1190 HD13 ILE 52 HD13 ILE 52 17.552 10.946 10.453 1191 H ASP 53 H ASP 53 22.292 10.931 7.941 1192 HA ASP 53 HA ASP 53 21.967 13.692 7.920 1193 HB2 ASP 53 HB1 ASP 53 23.755 12.523 9.075 1194 HB3 ASP 53 HB2 ASP 53 24.444 11.967 7.533 1195 H ASP 54 H ASP 54 23.193 11.681 5.174 1196 HA ASP 54 HA ASP 54 23.676 13.827 3.373 1197 HB2 ASP 54 HB1 ASP 54 24.426 11.455 3.075 1198 HB3 ASP 54 HB2 ASP 54 22.744 10.992 2.746 1199 H LEU 55 H LEU 55 20.763 11.791 3.825 1200 HA LEU 55 HA LEU 55 19.148 12.958 1.819 1201 HB2 LEU 55 HB1 LEU 55 18.278 11.636 4.409 1202 HB3 LEU 55 HB2 LEU 55 17.321 11.805 2.918 1203 HG LEU 55 HG LEU 55 19.846 10.146 3.194 1204 HD11 LEU 55 HD11 LEU 55 18.319 8.201 3.141 1205 HD12 LEU 55 HD12 LEU 55 17.985 9.246 4.542 1206 HD13 LEU 55 HD13 LEU 55 16.921 9.300 3.116 1207 HD21 LEU 55 HD21 LEU 55 19.203 9.196 1.006 1208 HD22 LEU 55 HD22 LEU 55 17.813 10.303 0.936 1209 HD23 LEU 55 HD23 LEU 55 19.472 10.949 0.897 1210 H MET 56 H MET 56 19.576 13.838 5.277 1211 HA MET 56 HA MET 56 17.640 15.928 5.325 1212 HB2 MET 56 HB1 MET 56 20.185 15.742 6.964 1213 HB3 MET 56 HB2 MET 56 18.723 16.682 7.348 1214 HG2 MET 56 HG1 MET 56 17.809 14.072 7.011 1215 HG3 MET 56 HG2 MET 56 19.352 13.887 7.862 1216 HE1 MET 56 HE1 MET 56 15.337 15.038 9.489 1217 HE2 MET 56 HE2 MET 56 15.829 15.552 7.856 1218 HE3 MET 56 HE3 MET 56 15.822 13.823 8.280 1219 H LYS 57 H LYS 57 21.132 15.967 4.371 1220 HA LYS 57 HA LYS 57 21.190 18.789 3.855 1221 HB2 LYS 57 HB1 LYS 57 22.898 16.447 3.279 1222 HB3 LYS 57 HB2 LYS 57 23.009 17.761 2.084 1223 HG2 LYS 57 HG1 LYS 57 24.700 18.053 3.811 1224 HG3 LYS 57 HG2 LYS 57 23.495 19.360 3.905 1225 HD2 LYS 57 HD1 LYS 57 23.177 18.897 6.064 1226 HD3 LYS 57 HD2 LYS 57 22.607 17.269 5.624 1227 HE2 LYS 57 HE1 LYS 57 25.521 18.010 6.065 1228 HE3 LYS 57 HE2 LYS 57 24.469 17.282 7.299 1229 HZ1 LYS 57 HZ1 LYS 57 25.780 15.640 6.169 1230 HZ2 LYS 57 HZ2 LYS 57 24.180 15.402 5.852 1231 HZ3 LYS 57 HZ3 LYS 57 25.157 16.078 4.707 1232 H SER 58 H SER 58 20.161 16.000 1.879 1233 HA SER 58 HA SER 58 19.606 17.443 -0.511 1234 HB2 SER 58 HB1 SER 58 19.773 14.919 -0.180 1235 HB3 SER 58 HB2 SER 58 18.104 14.988 0.437 1236 HG SER 58 HG SER 58 18.202 14.561 -1.815 1237 H LEU 59 H LEU 59 17.618 17.014 2.452 1238 HA LEU 59 HA LEU 59 15.243 18.222 1.398 1239 HB2 LEU 59 HB1 LEU 59 16.353 18.128 4.228 1240 HB3 LEU 59 HB2 LEU 59 14.715 18.674 3.796 1241 HG LEU 59 HG LEU 59 15.838 15.880 3.469 1242 HD11 LEU 59 HD11 LEU 59 14.226 15.323 5.251 1243 HD12 LEU 59 HD12 LEU 59 15.396 16.549 5.794 1244 HD13 LEU 59 HD13 LEU 59 13.742 17.033 5.351 1245 HD21 LEU 59 HD21 LEU 59 13.567 15.209 2.790 1246 HD22 LEU 59 HD22 LEU 59 13.052 16.911 2.838 1247 HD23 LEU 59 HD23 LEU 59 14.270 16.382 1.653 1248 H ASP 60 H ASP 60 18.039 19.525 3.229 1249 HA ASP 60 HA ASP 60 16.854 22.146 3.283 1250 HB2 ASP 60 HB1 ASP 60 18.458 20.887 4.987 1251 HB3 ASP 60 HB2 ASP 60 19.693 21.793 4.085 1252 H LYS 61 H LYS 61 18.580 20.605 0.826 1253 HA LYS 61 HA LYS 61 19.961 22.830 -0.323 1254 HB2 LYS 61 HB1 LYS 61 20.170 20.279 -0.621 1255 HB3 LYS 61 HB2 LYS 61 18.799 20.429 -1.746 1256 HG2 LYS 61 HG1 LYS 61 20.526 22.490 -2.521 1257 HG3 LYS 61 HG2 LYS 61 21.620 21.140 -2.136 1258 HD2 LYS 61 HD1 LYS 61 21.014 20.847 -4.407 1259 HD3 LYS 61 HD2 LYS 61 20.055 19.663 -3.486 1260 HE2 LYS 61 HE1 LYS 61 18.699 20.724 -5.225 1261 HE3 LYS 61 HE2 LYS 61 18.098 21.143 -3.606 1262 HZ1 LYS 61 HZ1 LYS 61 18.132 23.039 -5.060 1263 HZ2 LYS 61 HZ2 LYS 61 19.192 23.255 -3.816 1264 HZ3 LYS 61 HZ3 LYS 61 19.750 22.867 -5.319 1265 H ASN 62 H ASN 62 16.569 21.766 -0.592 1266 HA ASN 62 HA ASN 62 16.037 24.242 -2.163 1267 HB2 ASN 62 HB1 ASN 62 15.207 21.502 -2.702 1268 HB3 ASN 62 HB2 ASN 62 13.814 22.600 -2.583 1269 HD21 ASN 62 HD21 ASN 62 13.500 24.155 -4.204 1270 HD22 ASN 62 HD22 ASN 62 14.562 24.349 -5.589 1271 H SER 63 H SER 63 14.483 22.196 0.558 1272 HA SER 63 HA SER 63 15.313 23.141 2.501 1273 HB2 SER 63 HB1 SER 63 16.518 24.790 0.823 1274 HB3 SER 63 HB2 SER 63 15.318 25.941 1.459 1275 HG SER 63 HG SER 63 17.273 25.944 2.650 1276 H ASP 64 H ASP 64 13.517 26.061 1.453 1277 HA ASP 64 HA ASP 64 11.750 25.610 3.793 1278 HB2 ASP 64 HB1 ASP 64 13.127 27.786 3.218 1279 HB3 ASP 64 HB2 ASP 64 11.737 28.129 2.165 1280 H GLN 65 H GLN 65 11.838 25.033 0.552 1281 HA GLN 65 HA GLN 65 9.182 25.454 -0.325 1282 HB2 GLN 65 HB1 GLN 65 11.536 23.749 -1.123 1283 HB3 GLN 65 HB2 GLN 65 9.958 23.510 -1.913 1284 HG2 GLN 65 HG1 GLN 65 10.178 26.228 -2.058 1285 HG3 GLN 65 HG2 GLN 65 11.891 25.763 -2.146 1286 HE21 GLN 65 HE12 GLN 65 8.670 25.048 -3.571 1287 HE22 GLN 65 HE22 GLN 65 9.280 24.566 -5.138 1288 H GLU 66 H GLU 66 7.966 23.574 -1.220 1289 HA GLU 66 HA GLU 66 6.829 22.540 1.272 1290 HB2 GLU 66 HB1 GLU 66 5.187 22.810 -1.194 1291 HB3 GLU 66 HB2 GLU 66 4.785 23.175 0.500 1292 HG2 GLU 66 HG1 GLU 66 4.683 25.254 -0.522 1293 HG3 GLU 66 HG2 GLU 66 6.310 25.246 0.193 1294 H ILE 67 H ILE 67 6.262 20.491 1.549 1295 HA ILE 67 HA ILE 67 6.249 18.666 -0.764 1296 HB ILE 67 HB ILE 67 7.216 16.955 1.061 1297 HG12 ILE 67 HG13 ILE 67 8.667 19.532 1.724 1298 HG13 ILE 67 HG12 ILE 67 7.581 18.632 2.809 1299 HG21 ILE 67 HG21 ILE 67 9.346 17.160 -0.150 1300 HG22 ILE 67 HG22 ILE 67 7.951 17.292 -1.247 1301 HG23 ILE 67 HG23 ILE 67 8.845 18.753 -0.762 1302 HD11 ILE 67 HD11 ILE 67 9.950 18.145 3.313 1303 HD12 ILE 67 HD12 ILE 67 9.101 16.696 2.729 1304 HD13 ILE 67 HD13 ILE 67 10.186 17.593 1.641 1305 H ASP 68 H ASP 68 5.177 16.782 -0.577 1306 HA ASP 68 HA ASP 68 2.771 16.880 1.121 1307 HB2 ASP 68 HB1 ASP 68 1.696 15.797 -0.637 1308 HB3 ASP 68 HB2 ASP 68 2.901 16.772 -1.505 1309 H PHE 69 H PHE 69 1.813 14.580 1.375 1310 HA PHE 69 HA PHE 69 3.195 13.082 3.264 1311 HB2 PHE 69 HB1 PHE 69 0.985 12.312 1.334 1312 HB3 PHE 69 HB2 PHE 69 1.470 11.338 2.734 1313 HD1 PHE 69 HD2 PHE 69 0.937 12.033 5.009 1314 HD2 PHE 69 HD1 PHE 69 -0.371 14.336 1.608 1315 HE1 PHE 69 HE2 PHE 69 -0.848 13.065 6.391 1316 HE2 PHE 69 HE1 PHE 69 -2.164 15.359 2.999 1317 HZ PHE 69 HZ PHE 69 -2.414 14.699 5.378 1318 H LYS 70 H LYS 70 3.576 12.791 -0.284 1319 HA LYS 70 HA LYS 70 4.385 10.004 -0.163 1320 HB2 LYS 70 HB1 LYS 70 4.390 12.088 -2.354 1321 HB3 LYS 70 HB2 LYS 70 4.983 10.426 -2.587 1322 HG2 LYS 70 HG1 LYS 70 2.805 9.505 -2.042 1323 HG3 LYS 70 HG2 LYS 70 2.191 11.111 -1.581 1324 HD2 LYS 70 HD1 LYS 70 1.312 10.641 -3.752 1325 HD3 LYS 70 HD2 LYS 70 2.612 11.835 -3.980 1326 HE2 LYS 70 HE1 LYS 70 4.160 10.054 -4.666 1327 HE3 LYS 70 HE2 LYS 70 2.907 8.829 -4.377 1328 HZ1 LYS 70 HZ1 LYS 70 3.073 9.401 -6.694 1329 HZ2 LYS 70 HZ2 LYS 70 1.600 9.850 -6.105 1330 HZ3 LYS 70 HZ3 LYS 70 2.764 10.987 -6.373 1331 H GLU 71 H GLU 71 6.168 13.065 -0.949 1332 HA GLU 71 HA GLU 71 8.780 12.053 -0.876 1333 HB2 GLU 71 HB1 GLU 71 7.599 14.719 -0.043 1334 HB3 GLU 71 HB2 GLU 71 9.351 14.407 -0.031 1335 HG2 GLU 71 HG1 GLU 71 8.328 13.541 -2.566 1336 HG3 GLU 71 HG2 GLU 71 7.676 15.162 -2.244 1337 H TYR 72 H TYR 72 6.611 12.873 1.777 1338 HA TYR 72 HA TYR 72 8.459 12.576 3.953 1339 HB2 TYR 72 HB1 TYR 72 6.576 13.876 4.322 1340 HB3 TYR 72 HB2 TYR 72 5.496 12.737 3.498 1341 HD1 TYR 72 HD2 TYR 72 7.708 12.798 6.555 1342 HD2 TYR 72 HD1 TYR 72 3.971 11.590 4.787 1343 HE1 TYR 72 HE2 TYR 72 6.872 12.109 8.790 1344 HE2 TYR 72 HE1 TYR 72 3.130 10.895 7.019 1345 HH TYR 72 HH TYR 72 5.067 11.341 9.992 1346 H SER 73 H SER 73 5.918 10.325 2.717 1347 HA SER 73 HA SER 73 6.579 8.210 4.508 1348 HB2 SER 73 HB1 SER 73 5.156 6.847 2.899 1349 HB3 SER 73 HB2 SER 73 4.387 8.295 3.595 1350 HG SER 73 HG SER 73 4.074 8.124 1.326 1351 H VAL 74 H VAL 74 7.785 8.883 1.166 1352 HA VAL 74 HA VAL 74 9.313 6.442 1.111 1353 HB VAL 74 HB VAL 74 10.565 7.285 -0.732 1354 HG11 VAL 74 HG11 VAL 74 8.727 7.561 -2.339 1355 HG12 VAL 74 HG12 VAL 74 8.360 6.324 -1.118 1356 HG13 VAL 74 HG13 VAL 74 7.620 7.939 -1.000 1357 HG21 VAL 74 HG21 VAL 74 10.238 9.475 -1.795 1358 HG22 VAL 74 HG22 VAL 74 9.192 9.959 -0.447 1359 HG23 VAL 74 HG23 VAL 74 10.915 9.617 -0.160 1360 H PHE 75 H PHE 75 10.047 9.748 2.343 1361 HA PHE 75 HA PHE 75 12.823 9.161 2.820 1362 HB2 PHE 75 HB1 PHE 75 11.636 11.415 2.699 1363 HB3 PHE 75 HB2 PHE 75 11.082 11.098 4.352 1364 HD1 PHE 75 HD1 PHE 75 12.945 10.619 6.136 1365 HD2 PHE 75 HD2 PHE 75 13.682 12.468 2.323 1366 HE1 PHE 75 HE1 PHE 75 14.973 11.713 7.062 1367 HE2 PHE 75 HE2 PHE 75 15.720 13.542 3.242 1368 HZ PHE 75 HZ PHE 75 16.363 13.186 5.614 1369 H LEU 76 H LEU 76 9.866 8.828 4.898 1370 HA LEU 76 HA LEU 76 11.153 7.679 7.149 1371 HB2 LEU 76 HB1 LEU 76 8.371 7.392 5.986 1372 HB3 LEU 76 HB2 LEU 76 8.859 6.659 7.532 1373 HG LEU 76 HG LEU 76 8.831 9.635 6.903 1374 HD11 LEU 76 HD11 LEU 76 6.891 9.650 8.442 1375 HD12 LEU 76 HD12 LEU 76 6.589 8.598 7.036 1376 HD13 LEU 76 HD13 LEU 76 7.008 7.879 8.610 1377 HD21 LEU 76 HD21 LEU 76 9.264 9.941 9.316 1378 HD22 LEU 76 HD22 LEU 76 9.403 8.178 9.515 1379 HD23 LEU 76 HD23 LEU 76 10.593 9.059 8.528 1380 H THR 77 H THR 77 9.699 6.085 4.245 1381 HA THR 77 HA THR 77 10.312 3.420 5.022 1382 HB THR 77 HB THR 77 9.840 4.683 2.311 1383 HG1 THR 77 HG1 THR 77 7.851 3.600 2.678 1384 HG21 THR 77 HG21 THR 77 9.487 2.382 1.465 1385 HG22 THR 77 HG22 THR 77 11.165 2.617 2.005 1386 HG23 THR 77 HG23 THR 77 10.016 1.729 3.033 1387 H MET 78 H MET 78 12.165 5.765 3.045 1388 HA MET 78 HA MET 78 14.380 4.103 2.447 1389 HB2 MET 78 HB1 MET 78 13.853 6.177 1.282 1390 HB3 MET 78 HB2 MET 78 14.141 7.110 2.772 1391 HG2 MET 78 HG1 MET 78 16.451 6.736 2.701 1392 HG3 MET 78 HG2 MET 78 16.292 5.399 1.549 1393 HE1 MET 78 HE1 MET 78 15.211 9.671 0.046 1394 HE2 MET 78 HE2 MET 78 14.092 8.517 0.802 1395 HE3 MET 78 HE3 MET 78 15.348 9.313 1.780 1396 H LEU 79 H LEU 79 13.839 6.341 5.250 1397 HA LEU 79 HA LEU 79 16.221 5.703 6.625 1398 HB2 LEU 79 HB1 LEU 79 13.684 6.995 7.222 1399 HB3 LEU 79 HB2 LEU 79 14.215 5.985 8.588 1400 HG LEU 79 HG LEU 79 15.023 8.260 8.842 1401 HD11 LEU 79 HD11 LEU 79 17.433 7.822 9.142 1402 HD12 LEU 79 HD12 LEU 79 16.444 6.454 9.702 1403 HD13 LEU 79 HD13 LEU 79 17.291 6.361 8.139 1404 HD21 LEU 79 HD21 LEU 79 16.563 9.282 7.211 1405 HD22 LEU 79 HD22 LEU 79 16.390 7.859 6.156 1406 HD23 LEU 79 HD23 LEU 79 14.987 8.907 6.476 1407 H CYS 80 H CYS 80 13.015 4.091 6.751 1408 HA CYS 80 HA CYS 80 13.638 2.195 8.748 1409 HB2 CYS 80 HB1 CYS 80 11.392 2.957 7.665 1410 HB3 CYS 80 HB2 CYS 80 11.718 1.673 6.474 1411 HG CYS 80 HG CYS 80 10.041 0.805 8.280 1412 H MET 81 H MET 81 13.883 1.840 5.143 1413 HA MET 81 HA MET 81 15.069 -0.753 5.255 1414 HB2 MET 81 HB1 MET 81 15.148 1.418 3.135 1415 HB3 MET 81 HB2 MET 81 15.751 -0.240 2.900 1416 HG2 MET 81 HG1 MET 81 13.435 -1.046 3.611 1417 HG3 MET 81 HG2 MET 81 12.902 0.640 3.497 1418 HE1 MET 81 HE1 MET 81 14.288 -2.052 0.030 1419 HE2 MET 81 HE2 MET 81 15.377 -1.500 1.328 1420 HE3 MET 81 HE3 MET 81 14.011 -2.576 1.710 1421 H ALA 82 H ALA 82 16.508 2.507 5.489 1422 HA ALA 82 HA ALA 82 19.215 1.597 5.341 1423 HB1 ALA 82 HB1 ALA 82 19.775 3.869 6.109 1424 HB2 ALA 82 HB2 ALA 82 18.554 3.889 4.816 1425 HB3 ALA 82 HB3 ALA 82 18.065 4.151 6.508 1426 H TYR 83 H TYR 83 17.052 0.838 7.799 1427 HA TYR 83 HA TYR 83 19.369 -0.041 9.361 1428 HB2 TYR 83 HB1 TYR 83 18.290 0.519 11.497 1429 HB3 TYR 83 HB2 TYR 83 18.775 1.915 10.519 1430 HD1 TYR 83 HD2 TYR 83 15.744 -0.166 11.323 1431 HD2 TYR 83 HD1 TYR 83 17.323 3.719 10.338 1432 HE1 TYR 83 HE2 TYR 83 13.510 0.842 11.717 1433 HE2 TYR 83 HE1 TYR 83 15.111 4.743 10.809 1434 HH TYR 83 HH TYR 83 12.258 2.760 11.718 1435 H ASN 84 H ASN 84 16.621 -1.051 7.810 1436 HA ASN 84 HA ASN 84 15.970 -3.180 9.686 1437 HB2 ASN 84 HB1 ASN 84 14.798 -2.299 7.070 1438 HB3 ASN 84 HB2 ASN 84 14.375 -3.870 7.784 1439 HD21 ASN 84 HD21 ASN 84 12.178 -2.736 7.650 1440 HD22 ASN 84 HD22 ASN 84 11.679 -1.827 9.068 1441 H ASP 85 H ASP 85 18.706 -3.015 8.030 1442 HA ASP 85 HA ASP 85 18.964 -5.645 7.020 1443 HB2 ASP 85 HB1 ASP 85 21.356 -5.390 7.666 1444 HB3 ASP 85 HB2 ASP 85 20.703 -4.034 6.721 1445 H PHE 86 H PHE 86 18.758 -4.499 10.361 1446 HA PHE 86 HA PHE 86 19.325 -6.977 11.653 1447 HB2 PHE 86 HB1 PHE 86 17.924 -4.414 12.417 1448 HB3 PHE 86 HB2 PHE 86 17.999 -5.784 13.538 1449 HD1 PHE 86 HD2 PHE 86 20.047 -3.284 11.667 1450 HD2 PHE 86 HD1 PHE 86 20.039 -6.369 14.674 1451 HE1 PHE 86 HE2 PHE 86 22.386 -2.708 12.270 1452 HE2 PHE 86 HE1 PHE 86 22.365 -5.761 15.304 1453 HZ PHE 86 HZ PHE 86 23.542 -3.933 14.096 1454 H PHE 87 H PHE 87 16.575 -6.165 9.749 1455 HA PHE 87 HA PHE 87 14.944 -8.314 10.967 1456 HB2 PHE 87 HB1 PHE 87 14.398 -6.259 8.804 1457 HB3 PHE 87 HB2 PHE 87 13.291 -7.594 9.164 1458 HD1 PHE 87 HD2 PHE 87 14.980 -4.660 10.779 1459 HD2 PHE 87 HD1 PHE 87 11.585 -7.305 10.753 1460 HE1 PHE 87 HE2 PHE 87 13.790 -3.142 12.341 1461 HE2 PHE 87 HE1 PHE 87 10.415 -5.814 12.360 1462 HZ PHE 87 HZ PHE 87 11.510 -3.721 13.140 1463 H LEU 88 H LEU 88 17.490 -8.238 8.794 1464 HA LEU 88 HA LEU 88 16.250 -9.910 6.740 1465 HB2 LEU 88 HB1 LEU 88 18.237 -7.977 6.717 1466 HB3 LEU 88 HB2 LEU 88 19.117 -9.500 6.447 1467 HG LEU 88 HG LEU 88 16.652 -8.626 4.907 1468 HD11 LEU 88 HD11 LEU 88 18.167 -8.121 3.021 1469 HD12 LEU 88 HD12 LEU 88 18.533 -7.117 4.440 1470 HD13 LEU 88 HD13 LEU 88 19.564 -8.513 4.046 1471 HD21 LEU 88 HD21 LEU 88 17.235 -10.417 3.307 1472 HD22 LEU 88 HD22 LEU 88 18.610 -10.876 4.333 1473 HD23 LEU 88 HD23 LEU 88 16.946 -11.063 4.937 1474 H GLU 89 H GLU 89 19.120 -11.210 6.625 1475 HA GLU 89 HA GLU 89 19.428 -13.173 8.569 1476 HB2 GLU 89 HB1 GLU 89 17.119 -13.741 6.931 1477 HB3 GLU 89 HB2 GLU 89 18.384 -14.957 6.639 1478 HG2 GLU 89 HG1 GLU 89 18.501 -15.523 8.969 1479 HG3 GLU 89 HG2 GLU 89 17.505 -14.124 9.427 1480 H ASP 90 H ASP 90 19.468 -12.366 5.124 1481 HA ASP 90 HA ASP 90 22.290 -13.285 5.000 1482 HB2 ASP 90 HB1 ASP 90 21.930 -14.313 2.953 1483 HB3 ASP 90 HB2 ASP 90 20.456 -14.713 3.861 1484 H ASN 91 H ASN 91 23.276 -12.318 2.822 1485 HA ASN 91 HA ASN 91 22.620 -9.412 2.715 1486 HB2 ASN 91 HB1 ASN 91 25.293 -10.817 2.533 1487 HB3 ASN 91 HB2 ASN 91 25.038 -9.111 2.109 1488 HD21 ASN 91 HD21 ASN 91 22.982 -9.309 4.623 1489 HD22 ASN 91 HD22 ASN 91 24.075 -8.983 5.963 1490 H LYS 92 H LYS 92 21.082 -9.890 1.171 1491 HA LYS 92 HA LYS 92 21.342 -11.187 -1.276 1492 HB2 LYS 92 HB1 LYS 92 19.593 -8.987 -0.212 1493 HB3 LYS 92 HB2 LYS 92 19.501 -9.416 -1.938 1494 HG2 LYS 92 HG1 LYS 92 18.999 -11.249 0.418 1495 HG3 LYS 92 HG2 LYS 92 17.776 -10.556 -0.674 1496 HD2 LYS 92 HD1 LYS 92 19.869 -12.648 -1.325 1497 HD3 LYS 92 HD2 LYS 92 18.104 -12.860 -1.250 1498 HE2 LYS 92 HE1 LYS 92 18.391 -12.749 -3.523 1499 HE3 LYS 92 HE2 LYS 92 18.139 -11.026 -3.166 1500 HZ1 LYS 92 HZ1 LYS 92 20.002 -11.365 -4.630 1501 HZ2 LYS 92 HZ2 LYS 92 20.515 -10.737 -3.196 1502 HZ3 LYS 92 HZ3 LYS 92 20.750 -12.335 -3.526 Start of MODEL 3 1 HA MET 1 HA MET 1 14.877 5.628 20.916 2 HB2 MET 1 HB1 MET 1 14.509 7.741 19.735 3 HB3 MET 1 HB2 MET 1 12.770 7.383 19.633 4 HG2 MET 1 HG1 MET 1 13.295 8.960 21.455 5 HG3 MET 1 HG2 MET 1 12.566 7.459 22.051 6 HE1 MET 1 HE1 MET 1 16.560 9.308 23.222 7 HE2 MET 1 HE2 MET 1 15.985 9.418 21.543 8 HE3 MET 1 HE3 MET 1 14.993 10.071 22.869 9 H GLU 2 H GLU 2 11.552 5.878 19.877 10 HA GLU 2 HA GLU 2 9.934 4.089 20.752 11 HB2 GLU 2 HB1 GLU 2 10.985 3.647 22.871 12 HB3 GLU 2 HB2 GLU 2 10.858 5.362 23.332 13 HG2 GLU 2 HG1 GLU 2 9.119 3.752 24.331 14 HG3 GLU 2 HG2 GLU 2 8.500 5.236 23.576 15 H THR 3 H THR 3 8.947 5.344 19.223 16 HA THR 3 HA THR 3 7.477 7.695 20.218 17 HB THR 3 HB THR 3 8.021 9.158 18.586 18 HG1 THR 3 HG1 THR 3 8.855 8.538 16.553 19 HG21 THR 3 HG21 THR 3 10.435 9.301 18.111 20 HG22 THR 3 HG22 THR 3 10.116 8.874 19.802 21 HG23 THR 3 HG23 THR 3 10.625 7.622 18.644 22 HA PRO 4 HA PRO 4 4.165 5.706 18.095 23 HB2 PRO 4 HB1 PRO 4 2.536 7.726 17.187 24 HB3 PRO 4 HB2 PRO 4 2.726 7.305 18.920 25 HG2 PRO 4 HG1 PRO 4 4.166 9.474 17.379 26 HG3 PRO 4 HG2 PRO 4 3.320 9.627 18.954 27 HD2 PRO 4 HD1 PRO 4 6.013 9.266 18.818 28 HD3 PRO 4 HD2 PRO 4 5.047 8.436 20.073 29 H LEU 5 H LEU 5 5.814 8.255 16.134 30 HA LEU 5 HA LEU 5 4.710 7.317 13.652 31 HB2 LEU 5 HB1 LEU 5 5.495 9.613 14.014 32 HB3 LEU 5 HB2 LEU 5 7.165 9.015 14.160 33 HG LEU 5 HG LEU 5 7.150 8.284 11.842 34 HD11 LEU 5 HD11 LEU 5 5.289 8.794 10.288 35 HD12 LEU 5 HD12 LEU 5 4.777 7.675 11.570 36 HD13 LEU 5 HD13 LEU 5 4.322 9.394 11.652 37 HD21 LEU 5 HD21 LEU 5 7.035 10.509 10.754 38 HD22 LEU 5 HD22 LEU 5 6.111 11.135 12.138 39 HD23 LEU 5 HD23 LEU 5 7.797 10.613 12.358 40 H GLU 6 H GLU 6 7.764 6.471 15.399 41 HA GLU 6 HA GLU 6 8.956 4.747 13.563 42 HB2 GLU 6 HB1 GLU 6 8.316 4.229 16.496 43 HB3 GLU 6 HB2 GLU 6 9.413 3.225 15.519 44 HG2 GLU 6 HG1 GLU 6 11.025 4.961 15.385 45 HG3 GLU 6 HG2 GLU 6 9.893 6.159 16.050 46 H LYS 7 H LYS 7 6.024 4.214 15.575 47 HA LYS 7 HA LYS 7 5.896 1.407 15.036 48 HB2 LYS 7 HB1 LYS 7 3.558 3.054 15.971 49 HB3 LYS 7 HB2 LYS 7 3.914 1.338 16.281 50 HG2 LYS 7 HG1 LYS 7 5.139 3.784 17.519 51 HG3 LYS 7 HG2 LYS 7 4.274 2.439 18.303 52 HD2 LYS 7 HD1 LYS 7 6.205 0.940 17.822 53 HD3 LYS 7 HD2 LYS 7 7.073 2.313 17.093 54 HE2 LYS 7 HE1 LYS 7 6.402 3.573 19.283 55 HE3 LYS 7 HE2 LYS 7 6.131 1.947 19.943 56 HZ1 LYS 7 HZ1 LYS 7 8.315 2.757 20.451 57 HZ2 LYS 7 HZ2 LYS 7 8.409 1.441 19.466 58 HZ3 LYS 7 HZ3 LYS 7 8.662 2.952 18.853 59 H ALA 8 H ALA 8 4.676 4.194 13.256 60 HA ALA 8 HA ALA 8 2.849 2.824 11.556 61 HB1 ALA 8 HB1 ALA 8 3.275 4.696 10.005 62 HB2 ALA 8 HB2 ALA 8 3.051 5.279 11.673 63 HB3 ALA 8 HB3 ALA 8 4.686 5.182 10.976 64 H LEU 9 H LEU 9 6.370 3.487 11.148 65 HA LEU 9 HA LEU 9 6.702 1.879 8.835 66 HB2 LEU 9 HB1 LEU 9 8.670 2.780 10.948 67 HB3 LEU 9 HB2 LEU 9 9.127 1.927 9.454 68 HG LEU 9 HG LEU 9 9.602 4.166 9.062 69 HD11 LEU 9 HD11 LEU 9 8.088 4.868 7.240 70 HD12 LEU 9 HD12 LEU 9 8.425 3.126 7.183 71 HD13 LEU 9 HD13 LEU 9 6.870 3.713 7.818 72 HD21 LEU 9 HD21 LEU 9 8.087 6.078 9.422 73 HD22 LEU 9 HD22 LEU 9 6.863 4.973 10.081 74 HD23 LEU 9 HD23 LEU 9 8.410 5.200 10.929 75 H THR 10 H THR 10 7.164 1.055 12.347 76 HA THR 10 HA THR 10 7.920 -1.619 12.099 77 HB THR 10 HB THR 10 5.891 -0.575 14.102 78 HG1 THR 10 HG1 THR 10 7.760 -0.106 15.343 79 HG21 THR 10 HG21 THR 10 6.901 -2.271 15.602 80 HG22 THR 10 HG22 THR 10 6.228 -3.025 14.139 81 HG23 THR 10 HG23 THR 10 7.986 -2.779 14.289 82 H THR 11 H THR 11 4.560 -0.288 11.974 83 HA THR 11 HA THR 11 3.354 -2.892 11.684 84 HB THR 11 HB THR 11 2.155 -0.178 11.041 85 HG1 THR 11 HG1 THR 11 1.430 -0.368 13.222 86 HG21 THR 11 HG21 THR 11 0.025 -1.321 11.621 87 HG22 THR 11 HG22 THR 11 0.828 -2.127 10.255 88 HG23 THR 11 HG23 THR 11 0.915 -2.836 11.885 89 H MET 12 H MET 12 4.356 -0.357 9.356 90 HA MET 12 HA MET 12 3.407 -1.652 7.005 91 HB2 MET 12 HB1 MET 12 5.659 0.308 7.518 92 HB3 MET 12 HB2 MET 12 5.282 -0.306 5.890 93 HG2 MET 12 HG1 MET 12 3.065 0.619 5.976 94 HG3 MET 12 HG2 MET 12 3.239 1.030 7.690 95 HE1 MET 12 HE1 MET 12 3.754 3.858 4.341 96 HE2 MET 12 HE2 MET 12 3.716 2.108 4.029 97 HE3 MET 12 HE3 MET 12 2.411 2.874 4.966 98 H VAL 13 H VAL 13 6.711 -1.836 8.564 99 HA VAL 13 HA VAL 13 7.618 -3.753 6.660 100 HB VAL 13 HB VAL 13 9.450 -4.304 8.113 101 HG11 VAL 13 HG11 VAL 13 10.538 -2.088 8.185 102 HG12 VAL 13 HG12 VAL 13 9.607 -2.318 6.692 103 HG13 VAL 13 HG13 VAL 13 8.952 -1.312 8.006 104 HG21 VAL 13 HG21 VAL 13 9.857 -3.228 10.286 105 HG22 VAL 13 HG22 VAL 13 8.244 -2.492 10.210 106 HG23 VAL 13 HG23 VAL 13 8.415 -4.262 10.312 107 H THR 14 H THR 14 5.672 -4.154 9.573 108 HA THR 14 HA THR 14 6.014 -7.009 9.791 109 HB THR 14 HB THR 14 3.833 -5.179 10.848 110 HG1 THR 14 HG1 THR 14 5.126 -5.449 12.739 111 HG21 THR 14 HG21 THR 14 3.401 -6.996 12.489 112 HG22 THR 14 HG22 THR 14 3.090 -7.549 10.829 113 HG23 THR 14 HG23 THR 14 4.591 -8.021 11.659 114 H THR 15 H THR 15 3.366 -4.979 8.414 115 HA THR 15 HA THR 15 1.823 -7.166 7.453 116 HB THR 15 HB THR 15 0.768 -5.384 5.949 117 HG1 THR 15 HG1 THR 15 1.292 -3.247 6.598 118 HG21 THR 15 HG21 THR 15 -0.395 -4.307 7.852 119 HG22 THR 15 HG22 THR 15 -0.187 -6.051 8.124 120 HG23 THR 15 HG23 THR 15 0.877 -4.887 8.950 121 H PHE 16 H PHE 16 4.295 -5.147 5.787 122 HA PHE 16 HA PHE 16 4.080 -6.417 3.242 123 HB2 PHE 16 HB1 PHE 16 5.153 -4.268 3.708 124 HB3 PHE 16 HB2 PHE 16 6.383 -5.074 4.697 125 HD1 PHE 16 HD2 PHE 16 8.127 -6.485 3.629 126 HD2 PHE 16 HD1 PHE 16 5.366 -4.118 1.321 127 HE1 PHE 16 HE2 PHE 16 9.624 -6.654 1.655 128 HE2 PHE 16 HE1 PHE 16 6.910 -4.221 -0.626 129 HZ PHE 16 HZ PHE 16 9.002 -5.557 -0.477 130 H HIS 17 H HIS 17 6.194 -7.180 6.054 131 HA HIS 17 HA HIS 17 7.554 -9.403 4.941 132 HB2 HIS 17 HB1 HIS 17 8.359 -8.298 6.901 133 HB3 HIS 17 HB2 HIS 17 6.843 -8.598 7.772 134 HD1 HIS 17 HD1 HIS 17 7.423 -10.223 9.650 135 HD2 HIS 17 HD2 HIS 17 9.266 -11.155 5.991 136 HE1 HIS 17 HE1 HIS 17 8.699 -12.405 10.012 137 HE2 HIS 17 HE2 HIS 17 9.870 -12.977 7.805 138 H LYS 18 H LYS 18 4.344 -9.234 6.491 139 HA LYS 18 HA LYS 18 3.884 -11.980 6.965 140 HB2 LYS 18 HB1 LYS 18 2.667 -9.952 7.818 141 HB3 LYS 18 HB2 LYS 18 1.894 -9.814 6.219 142 HG2 LYS 18 HG1 LYS 18 1.556 -12.444 7.508 143 HG3 LYS 18 HG2 LYS 18 0.823 -11.085 8.394 144 HD2 LYS 18 HD1 LYS 18 -0.209 -10.398 6.136 145 HD3 LYS 18 HD2 LYS 18 0.263 -12.016 5.564 146 HE2 LYS 18 HE1 LYS 18 -2.002 -12.216 6.236 147 HE3 LYS 18 HE2 LYS 18 -1.053 -12.943 7.552 148 HZ1 LYS 18 HZ1 LYS 18 -2.754 -11.479 8.384 149 HZ2 LYS 18 HZ2 LYS 18 -1.261 -10.880 8.754 150 HZ3 LYS 18 HZ3 LYS 18 -2.140 -10.206 7.533 151 H TYR 19 H TYR 19 3.772 -10.218 3.921 152 HA TYR 19 HA TYR 19 2.711 -12.606 2.517 153 HB2 TYR 19 HB1 TYR 19 3.065 -9.705 1.704 154 HB3 TYR 19 HB2 TYR 19 2.605 -10.985 0.568 155 HD1 TYR 19 HD2 TYR 19 1.589 -9.223 3.676 156 HD2 TYR 19 HD1 TYR 19 0.320 -11.758 0.447 157 HE1 TYR 19 HE2 TYR 19 -0.747 -9.055 4.484 158 HE2 TYR 19 HE1 TYR 19 -2.043 -11.526 1.189 159 HH TYR 19 HH TYR 19 -2.939 -9.604 4.085 160 H SER 20 H SER 20 5.569 -10.435 2.659 161 HA SER 20 HA SER 20 7.076 -11.639 0.572 162 HB2 SER 20 HB1 SER 20 8.118 -10.430 3.155 163 HB3 SER 20 HB2 SER 20 9.016 -10.628 1.631 164 HG SER 20 HG SER 20 8.218 -8.490 1.923 165 H GLY 21 H GLY 21 6.573 -12.709 3.939 166 HA2 GLY 21 HA2 GLY 21 8.121 -14.703 3.164 167 H ARG 22 H ARG 22 6.025 -14.658 1.796 168 HA ARG 22 HA ARG 22 5.817 -17.625 1.562 169 HB2 ARG 22 HB1 ARG 22 4.087 -15.345 0.527 170 HB3 ARG 22 HB2 ARG 22 3.921 -17.027 -0.035 171 HG2 ARG 22 HG1 ARG 22 2.820 -17.679 1.832 172 HG3 ARG 22 HG2 ARG 22 3.840 -16.692 2.906 173 HD2 ARG 22 HD1 ARG 22 1.375 -16.058 2.785 174 HD3 ARG 22 HD2 ARG 22 2.545 -14.745 2.529 175 HE ARG 22 HE ARG 22 1.730 -14.427 0.464 176 HH11 ARG 22 HH12 ARG 22 0.515 -17.630 1.295 177 HH12 ARG 22 HH11 ARG 22 -0.419 -17.731 -0.174 178 HH21 ARG 22 HH22 ARG 22 0.598 -14.600 -1.349 179 HH22 ARG 22 HH21 ARG 22 -0.371 -16.025 -1.661 180 H GLU 23 H GLU 23 7.609 -15.059 0.343 181 HA GLU 23 HA GLU 23 7.339 -15.784 -2.529 182 HB2 GLU 23 HB1 GLU 23 7.805 -13.224 -0.996 183 HB3 GLU 23 HB2 GLU 23 8.351 -13.353 -2.687 184 HG2 GLU 23 HG1 GLU 23 5.553 -14.231 -2.031 185 HG3 GLU 23 HG2 GLU 23 5.895 -12.488 -2.057 186 H GLY 24 H GLY 24 9.520 -14.706 -3.672 187 HA2 GLY 24 HA2 GLY 24 11.210 -16.394 -2.554 188 H SER 25 H SER 25 11.195 -13.855 -1.538 189 HA SER 25 HA SER 25 13.495 -14.580 0.077 190 HB2 SER 25 HB1 SER 25 14.567 -13.198 -1.666 191 HB3 SER 25 HB2 SER 25 13.397 -11.894 -1.356 192 HG SER 25 HG SER 25 15.383 -11.592 -0.238 193 H LYS 26 H LYS 26 13.326 -13.409 2.276 194 HA LYS 26 HA LYS 26 10.500 -12.932 2.788 195 HB2 LYS 26 HB1 LYS 26 11.104 -12.919 5.096 196 HB3 LYS 26 HB2 LYS 26 12.014 -14.212 4.277 197 HG2 LYS 26 HG1 LYS 26 13.894 -12.385 4.107 198 HG3 LYS 26 HG2 LYS 26 12.995 -11.614 5.436 199 HD2 LYS 26 HD1 LYS 26 14.297 -14.353 5.421 200 HD3 LYS 26 HD2 LYS 26 14.763 -12.930 6.385 201 HE2 LYS 26 HE1 LYS 26 12.458 -13.088 7.480 202 HE3 LYS 26 HE2 LYS 26 12.300 -14.675 6.698 203 HZ1 LYS 26 HZ1 LYS 26 13.181 -14.859 8.911 204 HZ2 LYS 26 HZ2 LYS 26 14.308 -15.354 7.812 205 HZ3 LYS 26 HZ3 LYS 26 14.456 -13.880 8.538 206 H LEU 27 H LEU 27 12.425 -11.016 1.254 207 HA LEU 27 HA LEU 27 12.179 -8.455 2.729 208 HB2 LEU 27 HB1 LEU 27 14.171 -9.224 0.564 209 HB3 LEU 27 HB2 LEU 27 14.273 -7.875 1.721 210 HG LEU 27 HG LEU 27 14.616 -10.824 2.332 211 HD11 LEU 27 HD11 LEU 27 16.950 -10.176 2.859 212 HD12 LEU 27 HD12 LEU 27 16.536 -9.790 1.172 213 HD13 LEU 27 HD13 LEU 27 16.585 -8.498 2.395 214 HD21 LEU 27 HD21 LEU 27 15.189 -10.113 4.624 215 HD22 LEU 27 HD22 LEU 27 14.800 -8.432 4.197 216 HD23 LEU 27 HD23 LEU 27 13.519 -9.670 4.203 217 H THR 28 H THR 28 10.992 -10.126 0.068 218 HA THR 28 HA THR 28 10.162 -7.714 -1.392 219 HB THR 28 HB THR 28 10.742 -8.918 -3.554 220 HG1 THR 28 HG1 THR 28 12.468 -10.419 -3.365 221 HG21 THR 28 HG21 THR 28 13.098 -8.166 -3.601 222 HG22 THR 28 HG22 THR 28 12.052 -6.976 -2.797 223 HG23 THR 28 HG23 THR 28 13.087 -8.051 -1.829 224 H LEU 29 H LEU 29 8.512 -8.275 -2.977 225 HA LEU 29 HA LEU 29 7.255 -10.882 -2.939 226 HB2 LEU 29 HB1 LEU 29 5.194 -10.384 -2.005 227 HB3 LEU 29 HB2 LEU 29 6.380 -9.695 -0.868 228 HG LEU 29 HG LEU 29 4.684 -8.148 -2.849 229 HD11 LEU 29 HD11 LEU 29 3.560 -7.295 -0.798 230 HD12 LEU 29 HD12 LEU 29 3.426 -9.065 -0.912 231 HD13 LEU 29 HD13 LEU 29 4.606 -8.331 0.199 232 HD21 LEU 29 HD21 LEU 29 5.516 -6.118 -1.700 233 HD22 LEU 29 HD22 LEU 29 6.578 -7.131 -0.697 234 HD23 LEU 29 HD23 LEU 29 6.845 -7.024 -2.455 235 H SER 30 H SER 30 5.535 -11.000 -4.629 236 HA SER 30 HA SER 30 6.378 -9.490 -6.908 237 HB2 SER 30 HB1 SER 30 4.480 -10.656 -8.060 238 HB3 SER 30 HB2 SER 30 5.636 -11.733 -7.240 239 HG SER 30 HG SER 30 3.447 -12.303 -6.833 240 H ARG 31 H ARG 31 5.278 -7.868 -8.171 241 HA ARG 31 HA ARG 31 3.564 -6.109 -6.751 242 HB2 ARG 31 HB1 ARG 31 3.100 -5.881 -9.595 243 HB3 ARG 31 HB2 ARG 31 3.717 -4.701 -8.417 244 HG2 ARG 31 HG1 ARG 31 5.960 -6.114 -8.787 245 HG3 ARG 31 HG2 ARG 31 5.177 -6.421 -10.356 246 HD2 ARG 31 HD1 ARG 31 5.531 -3.650 -9.185 247 HD3 ARG 31 HD2 ARG 31 6.734 -4.418 -10.243 248 HE ARG 31 HE ARG 31 4.306 -4.489 -11.635 249 HH11 ARG 31 HH12 ARG 31 5.891 -1.795 -10.008 250 HH12 ARG 31 HH11 ARG 31 5.729 -0.721 -11.370 251 HH21 ARG 31 HH22 ARG 31 4.397 -3.119 -13.488 252 HH22 ARG 31 HH21 ARG 31 4.900 -1.456 -13.298 253 H LYS 32 H LYS 32 2.784 -9.090 -8.389 254 HA LYS 32 HA LYS 32 -0.071 -8.725 -8.412 255 HB2 LYS 32 HB1 LYS 32 1.544 -10.493 -9.551 256 HB3 LYS 32 HB2 LYS 32 1.225 -11.409 -8.059 257 HG2 LYS 32 HG1 LYS 32 -0.439 -12.217 -9.427 258 HG3 LYS 32 HG2 LYS 32 -1.288 -10.882 -8.611 259 HD2 LYS 32 HD1 LYS 32 -1.872 -10.904 -10.979 260 HD3 LYS 32 HD2 LYS 32 -0.904 -9.452 -10.622 261 HE2 LYS 32 HE1 LYS 32 1.084 -10.466 -11.524 262 HE3 LYS 32 HE2 LYS 32 0.278 -12.041 -11.675 263 HZ1 LYS 32 HZ1 LYS 32 0.514 -10.956 -13.790 264 HZ2 LYS 32 HZ2 LYS 32 -1.076 -11.110 -13.400 265 HZ3 LYS 32 HZ3 LYS 32 -0.328 -9.647 -13.259 266 H GLU 33 H GLU 33 2.089 -10.412 -6.033 267 HA GLU 33 HA GLU 33 0.148 -10.952 -4.067 268 HB2 GLU 33 HB1 GLU 33 2.381 -11.948 -4.191 269 HB3 GLU 33 HB2 GLU 33 3.121 -10.371 -3.825 270 HG2 GLU 33 HG1 GLU 33 3.229 -11.376 -1.779 271 HG3 GLU 33 HG2 GLU 33 1.672 -10.528 -1.650 272 H LEU 34 H LEU 34 2.312 -7.982 -4.284 273 HA LEU 34 HA LEU 34 1.395 -6.860 -1.859 274 HB2 LEU 34 HB1 LEU 34 3.334 -5.940 -2.926 275 HB3 LEU 34 HB2 LEU 34 2.414 -5.543 -4.397 276 HG LEU 34 HG LEU 34 1.097 -3.895 -3.148 277 HD11 LEU 34 HD11 LEU 34 1.679 -3.203 -0.847 278 HD12 LEU 34 HD12 LEU 34 1.149 -4.898 -0.908 279 HD13 LEU 34 HD13 LEU 34 2.881 -4.508 -0.766 280 HD21 LEU 34 HD21 LEU 34 2.842 -2.186 -2.782 281 HD22 LEU 34 HD22 LEU 34 4.078 -3.462 -2.762 282 HD23 LEU 34 HD23 LEU 34 3.155 -3.138 -4.250 283 H LYS 35 H LYS 35 -0.040 -6.613 -5.151 284 HA LYS 35 HA LYS 35 -1.930 -4.616 -4.290 285 HB2 LYS 35 HB1 LYS 35 -2.379 -4.369 -6.442 286 HB3 LYS 35 HB2 LYS 35 -0.915 -5.361 -6.656 287 HG2 LYS 35 HG1 LYS 35 -2.324 -7.372 -6.874 288 HG3 LYS 35 HG2 LYS 35 -3.779 -6.363 -6.692 289 HD2 LYS 35 HD1 LYS 35 -3.161 -6.992 -9.069 290 HD3 LYS 35 HD2 LYS 35 -3.383 -5.253 -8.761 291 HE2 LYS 35 HE1 LYS 35 -0.930 -4.985 -8.552 292 HE3 LYS 35 HE2 LYS 35 -0.715 -6.719 -8.877 293 HZ1 LYS 35 HZ1 LYS 35 -0.379 -5.400 -10.824 294 HZ2 LYS 35 HZ2 LYS 35 -1.696 -6.372 -11.016 295 HZ3 LYS 35 HZ3 LYS 35 -1.895 -4.763 -10.714 296 H GLU 36 H GLU 36 -2.075 -8.161 -4.434 297 HA GLU 36 HA GLU 36 -4.732 -8.500 -3.555 298 HB2 GLU 36 HB1 GLU 36 -3.236 -10.360 -4.231 299 HB3 GLU 36 HB2 GLU 36 -2.257 -10.095 -2.768 300 HG2 GLU 36 HG1 GLU 36 -3.639 -11.820 -2.082 301 HG3 GLU 36 HG2 GLU 36 -4.544 -10.399 -1.519 302 H LEU 37 H LEU 37 -1.719 -7.990 -1.536 303 HA LEU 37 HA LEU 37 -2.935 -8.039 0.967 304 HB2 LEU 37 HB1 LEU 37 -0.678 -8.099 1.098 305 HB3 LEU 37 HB2 LEU 37 -0.453 -6.874 -0.175 306 HG LEU 37 HG LEU 37 -0.946 -5.105 1.421 307 HD11 LEU 37 HD11 LEU 37 -1.034 -5.489 3.869 308 HD12 LEU 37 HD12 LEU 37 -2.402 -6.255 3.038 309 HD13 LEU 37 HD13 LEU 37 -1.022 -7.239 3.582 310 HD21 LEU 37 HD21 LEU 37 1.138 -5.279 2.773 311 HD22 LEU 37 HD22 LEU 37 1.196 -7.023 2.440 312 HD23 LEU 37 HD23 LEU 37 1.394 -5.854 1.111 313 H ILE 38 H ILE 38 -2.599 -5.202 -1.170 314 HA ILE 38 HA ILE 38 -3.841 -3.301 0.533 315 HB ILE 38 HB ILE 38 -3.374 -3.448 -2.453 316 HG12 ILE 38 HG13 ILE 38 -2.039 -1.788 -0.277 317 HG13 ILE 38 HG12 ILE 38 -1.435 -3.366 -0.839 318 HG21 ILE 38 HG21 ILE 38 -3.835 -1.018 -2.584 319 HG22 ILE 38 HG22 ILE 38 -5.281 -1.929 -2.096 320 HG23 ILE 38 HG23 ILE 38 -4.343 -1.027 -0.881 321 HD11 ILE 38 HD11 ILE 38 -0.199 -1.508 -1.903 322 HD12 ILE 38 HD12 ILE 38 -1.123 -2.441 -3.100 323 HD13 ILE 38 HD13 ILE 38 -1.727 -0.864 -2.539 324 H LYS 39 H LYS 39 -5.374 -5.593 -1.770 325 HA LYS 39 HA LYS 39 -8.033 -4.530 -1.146 326 HB2 LYS 39 HB1 LYS 39 -6.779 -6.464 -3.003 327 HB3 LYS 39 HB2 LYS 39 -8.414 -6.908 -2.454 328 HG2 LYS 39 HG1 LYS 39 -8.448 -5.656 -4.564 329 HG3 LYS 39 HG2 LYS 39 -9.302 -4.805 -3.254 330 HD2 LYS 39 HD1 LYS 39 -7.350 -3.305 -2.988 331 HD3 LYS 39 HD2 LYS 39 -6.550 -4.134 -4.343 332 HE2 LYS 39 HE1 LYS 39 -9.251 -2.756 -4.576 333 HE3 LYS 39 HE2 LYS 39 -7.707 -1.948 -4.923 334 HZ1 LYS 39 HZ1 LYS 39 -8.746 -2.771 -6.911 335 HZ2 LYS 39 HZ2 LYS 39 -7.324 -3.558 -6.645 336 HZ3 LYS 39 HZ3 LYS 39 -8.758 -4.308 -6.322 337 H LYS 40 H LYS 40 -5.938 -6.586 0.572 338 HA LYS 40 HA LYS 40 -8.066 -8.362 1.629 339 HB2 LYS 40 HB1 LYS 40 -5.028 -8.326 1.827 340 HB3 LYS 40 HB2 LYS 40 -6.051 -9.480 2.715 341 HG2 LYS 40 HG1 LYS 40 -6.394 -9.281 -0.250 342 HG3 LYS 40 HG2 LYS 40 -4.947 -10.102 0.383 343 HD2 LYS 40 HD1 LYS 40 -6.374 -11.530 1.788 344 HD3 LYS 40 HD2 LYS 40 -7.820 -10.713 1.150 345 HE2 LYS 40 HE1 LYS 40 -5.819 -12.188 -0.572 346 HE3 LYS 40 HE2 LYS 40 -7.274 -12.942 0.111 347 HZ1 LYS 40 HZ1 LYS 40 -7.612 -12.247 -2.151 348 HZ2 LYS 40 HZ2 LYS 40 -8.586 -11.391 -1.139 349 HZ3 LYS 40 HZ3 LYS 40 -7.236 -10.690 -1.773 350 H GLU 41 H GLU 41 -5.478 -6.202 2.785 351 HA GLU 41 HA GLU 41 -6.655 -6.179 5.488 352 HB2 GLU 41 HB1 GLU 41 -3.834 -5.435 4.670 353 HB3 GLU 41 HB2 GLU 41 -4.478 -5.473 6.330 354 HG2 GLU 41 HG1 GLU 41 -5.106 -7.955 5.714 355 HG3 GLU 41 HG2 GLU 41 -3.868 -7.752 4.456 356 H LEU 42 H LEU 42 -7.515 -4.457 3.117 357 HA LEU 42 HA LEU 42 -8.156 -2.187 4.839 358 HB2 LEU 42 HB1 LEU 42 -6.150 -1.971 2.768 359 HB3 LEU 42 HB2 LEU 42 -7.579 -1.012 2.312 360 HG LEU 42 HG LEU 42 -6.125 -0.776 4.974 361 HD11 LEU 42 HD11 LEU 42 -5.195 1.333 4.054 362 HD12 LEU 42 HD12 LEU 42 -4.682 -0.069 3.087 363 HD13 LEU 42 HD13 LEU 42 -5.979 0.996 2.492 364 HD21 LEU 42 HD21 LEU 42 -7.417 1.326 5.204 365 HD22 LEU 42 HD22 LEU 42 -8.223 0.997 3.653 366 HD23 LEU 42 HD23 LEU 42 -8.496 -0.079 5.045 367 H CYS 43 H CYS 43 -10.198 -1.279 4.260 368 HA CYS 43 HA CYS 43 -11.636 -2.687 2.057 369 HB2 CYS 43 HB1 CYS 43 -12.329 -3.495 4.253 370 HB3 CYS 43 HB2 CYS 43 -12.649 -1.829 4.794 371 HG CYS 43 HG CYS 43 -14.912 -3.070 4.345 372 H LEU 44 H LEU 44 -12.074 0.201 4.103 373 HA LEU 44 HA LEU 44 -11.999 2.353 3.678 374 HB2 LEU 44 HB1 LEU 44 -10.075 1.519 2.174 375 HB3 LEU 44 HB2 LEU 44 -11.164 1.924 0.825 376 HG LEU 44 HG LEU 44 -11.425 4.128 2.463 377 HD11 LEU 44 HD11 LEU 44 -9.167 4.843 3.115 378 HD12 LEU 44 HD12 LEU 44 -9.654 3.354 3.960 379 HD13 LEU 44 HD13 LEU 44 -8.517 3.270 2.594 380 HD21 LEU 44 HD21 LEU 44 -10.096 5.288 0.758 381 HD22 LEU 44 HD22 LEU 44 -9.472 3.726 0.175 382 HD23 LEU 44 HD23 LEU 44 -11.206 4.105 0.028 383 H GLY 45 H GLY 45 -14.444 0.882 3.250 384 HA2 GLY 45 HA2 GLY 45 -15.735 0.699 1.685 385 H GLU 46 H GLU 46 -15.531 3.970 0.952 386 HA GLU 46 HA GLU 46 -16.928 3.302 -1.540 387 HB2 GLU 46 HB1 GLU 46 -18.976 4.380 -0.800 388 HB3 GLU 46 HB2 GLU 46 -18.538 3.093 0.350 389 HG2 GLU 46 HG1 GLU 46 -17.450 5.006 1.739 390 HG3 GLU 46 HG2 GLU 46 -18.422 6.093 0.724 391 H MET 47 H MET 47 -14.972 5.371 0.375 392 HA MET 47 HA MET 47 -15.575 7.909 -0.818 393 HB2 MET 47 HB1 MET 47 -13.714 8.695 0.540 394 HB3 MET 47 HB2 MET 47 -14.736 7.577 1.474 395 HG2 MET 47 HG1 MET 47 -13.080 5.749 0.923 396 HG3 MET 47 HG2 MET 47 -12.031 6.993 0.223 397 HE1 MET 47 HE1 MET 47 -12.973 6.212 4.651 398 HE2 MET 47 HE2 MET 47 -14.263 6.487 3.454 399 HE3 MET 47 HE3 MET 47 -13.173 5.090 3.283 400 H LYS 48 H LYS 48 -14.036 5.447 -2.347 401 HA LYS 48 HA LYS 48 -11.757 6.948 -3.415 402 HB2 LYS 48 HB1 LYS 48 -11.067 4.802 -4.383 403 HB3 LYS 48 HB2 LYS 48 -11.328 4.702 -2.626 404 HG2 LYS 48 HG1 LYS 48 -13.549 3.885 -4.475 405 HG3 LYS 48 HG2 LYS 48 -12.163 2.792 -4.250 406 HD2 LYS 48 HD1 LYS 48 -13.341 3.887 -1.751 407 HD3 LYS 48 HD2 LYS 48 -14.389 2.782 -2.674 408 HE2 LYS 48 HE1 LYS 48 -12.491 1.135 -2.747 409 HE3 LYS 48 HE2 LYS 48 -11.556 2.220 -1.697 410 HZ1 LYS 48 HZ1 LYS 48 -12.683 0.527 -0.447 411 HZ2 LYS 48 HZ2 LYS 48 -13.282 2.012 -0.052 412 HZ3 LYS 48 HZ3 LYS 48 -14.151 1.004 -1.028 413 H GLU 49 H GLU 49 -11.524 7.662 -5.569 414 HA GLU 49 HA GLU 49 -13.565 6.978 -7.524 415 HB2 GLU 49 HB1 GLU 49 -10.801 8.186 -7.708 416 HB3 GLU 49 HB2 GLU 49 -11.701 7.704 -9.165 417 HG2 GLU 49 HG1 GLU 49 -13.633 9.155 -8.168 418 HG3 GLU 49 HG2 GLU 49 -12.360 9.868 -7.154 419 H SER 50 H SER 50 -13.303 5.534 -9.336 420 HA SER 50 HA SER 50 -11.933 3.083 -9.078 421 HB2 SER 50 HB1 SER 50 -13.791 3.769 -10.701 422 HB3 SER 50 HB2 SER 50 -12.514 4.499 -11.701 423 HG SER 50 HG SER 50 -12.995 2.342 -12.309 424 H SER 51 H SER 51 -10.481 6.196 -9.666 425 HA SER 51 HA SER 51 -8.173 5.448 -11.103 426 HB2 SER 51 HB1 SER 51 -8.813 7.783 -10.505 427 HB3 SER 51 HB2 SER 51 -8.372 7.446 -8.814 428 HG SER 51 HG SER 51 -6.659 8.417 -10.002 429 H ILE 52 H ILE 52 -9.013 4.617 -7.717 430 HA ILE 52 HA ILE 52 -6.341 3.906 -6.953 431 HB ILE 52 HB ILE 52 -7.276 2.667 -5.153 432 HG12 ILE 52 HG13 ILE 52 -9.957 2.770 -5.016 433 HG13 ILE 52 HG12 ILE 52 -9.757 2.502 -6.764 434 HG21 ILE 52 HG21 ILE 52 -8.629 4.433 -4.086 435 HG22 ILE 52 HG22 ILE 52 -7.268 5.111 -5.006 436 HG23 ILE 52 HG23 ILE 52 -8.915 5.169 -5.679 437 HD11 ILE 52 HD11 ILE 52 -9.992 0.346 -5.555 438 HD12 ILE 52 HD12 ILE 52 -8.385 0.495 -6.302 439 HD13 ILE 52 HD13 ILE 52 -8.584 0.761 -4.554 440 H ASP 53 H ASP 53 -8.735 2.302 -8.894 441 HA ASP 53 HA ASP 53 -7.159 -0.174 -8.974 442 HB2 ASP 53 HB1 ASP 53 -9.967 0.480 -9.216 443 HB3 ASP 53 HB2 ASP 53 -9.415 -0.495 -10.596 444 H ASP 54 H ASP 54 -7.527 2.775 -10.888 445 HA ASP 54 HA ASP 54 -6.046 1.654 -13.076 446 HB2 ASP 54 HB1 ASP 54 -7.128 4.035 -12.863 447 HB3 ASP 54 HB2 ASP 54 -5.539 4.476 -12.202 448 H LEU 55 H LEU 55 -4.943 3.079 -9.903 449 HA LEU 55 HA LEU 55 -2.183 2.703 -10.303 450 HB2 LEU 55 HB1 LEU 55 -3.751 2.313 -7.739 451 HB3 LEU 55 HB2 LEU 55 -1.985 2.513 -7.863 452 HG LEU 55 HG LEU 55 -4.070 4.600 -8.560 453 HD11 LEU 55 HD11 LEU 55 -3.226 5.751 -6.530 454 HD12 LEU 55 HD12 LEU 55 -3.887 4.146 -6.135 455 HD13 LEU 55 HD13 LEU 55 -2.126 4.388 -6.219 456 HD21 LEU 55 HD21 LEU 55 -2.160 6.163 -8.759 457 HD22 LEU 55 HD22 LEU 55 -1.035 4.818 -8.475 458 HD23 LEU 55 HD23 LEU 55 -2.042 4.843 -9.942 459 H MET 56 H MET 56 -4.560 0.328 -9.001 460 HA MET 56 HA MET 56 -2.928 -1.933 -8.696 461 HB2 MET 56 HB1 MET 56 -5.818 -1.670 -9.617 462 HB3 MET 56 HB2 MET 56 -5.064 -3.195 -9.095 463 HG2 MET 56 HG1 MET 56 -4.914 -0.897 -7.208 464 HG3 MET 56 HG2 MET 56 -6.510 -1.623 -7.462 465 HE1 MET 56 HE1 MET 56 -3.234 -2.998 -4.808 466 HE2 MET 56 HE2 MET 56 -2.872 -2.071 -6.287 467 HE3 MET 56 HE3 MET 56 -4.001 -1.412 -5.079 468 H LYS 57 H LYS 57 -4.821 -1.004 -11.608 469 HA LYS 57 HA LYS 57 -3.808 -3.025 -13.344 470 HB2 LYS 57 HB1 LYS 57 -5.942 -1.963 -13.604 471 HB3 LYS 57 HB2 LYS 57 -5.176 -0.367 -13.787 472 HG2 LYS 57 HG1 LYS 57 -4.363 -2.451 -15.753 473 HG3 LYS 57 HG2 LYS 57 -6.039 -1.861 -15.867 474 HD2 LYS 57 HD1 LYS 57 -3.640 0.005 -15.727 475 HD3 LYS 57 HD2 LYS 57 -4.319 -0.585 -17.263 476 HE2 LYS 57 HE1 LYS 57 -6.477 0.406 -16.761 477 HE3 LYS 57 HE2 LYS 57 -5.952 0.833 -15.119 478 HZ1 LYS 57 HZ1 LYS 57 -5.913 2.718 -16.584 479 HZ2 LYS 57 HZ2 LYS 57 -4.385 2.355 -16.084 480 HZ3 LYS 57 HZ3 LYS 57 -4.871 1.958 -17.610 481 H SER 58 H SER 58 -2.412 0.068 -12.409 482 HA SER 58 HA SER 58 -0.554 0.211 -14.607 483 HB2 SER 58 HB1 SER 58 -1.520 2.113 -13.154 484 HB3 SER 58 HB2 SER 58 -0.261 1.660 -11.979 485 HG SER 58 HG SER 58 0.426 3.314 -13.427 486 H LEU 59 H LEU 59 -0.478 -1.510 -11.541 487 HA LEU 59 HA LEU 59 2.369 -2.148 -11.751 488 HB2 LEU 59 HB1 LEU 59 0.079 -3.430 -10.218 489 HB3 LEU 59 HB2 LEU 59 1.795 -3.871 -10.051 490 HG LEU 59 HG LEU 59 0.566 -1.188 -9.346 491 HD11 LEU 59 HD11 LEU 59 0.986 -1.904 -7.008 492 HD12 LEU 59 HD12 LEU 59 -0.115 -3.029 -7.839 493 HD13 LEU 59 HD13 LEU 59 1.592 -3.471 -7.597 494 HD21 LEU 59 HD21 LEU 59 2.749 -0.670 -8.309 495 HD22 LEU 59 HD22 LEU 59 3.395 -2.216 -8.904 496 HD23 LEU 59 HD23 LEU 59 2.912 -0.950 -10.057 497 H ASP 60 H ASP 60 -0.743 -3.600 -12.646 498 HA ASP 60 HA ASP 60 0.234 -6.067 -13.663 499 HB2 ASP 60 HB1 ASP 60 -2.300 -4.784 -13.244 500 HB3 ASP 60 HB2 ASP 60 -2.262 -5.531 -14.856 501 H LYS 61 H LYS 61 0.175 -2.942 -15.185 502 HA LYS 61 HA LYS 61 1.060 -3.233 -17.702 503 HB2 LYS 61 HB1 LYS 61 1.274 -1.406 -15.943 504 HB3 LYS 61 HB2 LYS 61 2.725 -2.249 -15.350 505 HG2 LYS 61 HG1 LYS 61 3.835 -0.815 -16.638 506 HG3 LYS 61 HG2 LYS 61 3.349 -1.880 -17.977 507 HD2 LYS 61 HD1 LYS 61 2.985 0.541 -18.422 508 HD3 LYS 61 HD2 LYS 61 1.515 -0.453 -18.549 509 HE2 LYS 61 HE1 LYS 61 1.287 1.834 -17.442 510 HE3 LYS 61 HE2 LYS 61 0.596 0.441 -16.580 511 HZ1 LYS 61 HZ1 LYS 61 1.768 1.908 -15.100 512 HZ2 LYS 61 HZ2 LYS 61 2.517 0.443 -15.163 513 HZ3 LYS 61 HZ3 LYS 61 3.160 1.735 -15.962 514 H ASN 62 H ASN 62 2.589 -4.923 -14.955 515 HA ASN 62 HA ASN 62 4.208 -6.599 -16.736 516 HB2 ASN 62 HB1 ASN 62 5.460 -4.904 -14.539 517 HB3 ASN 62 HB2 ASN 62 6.299 -6.105 -15.544 518 HD21 ASN 62 HD21 ASN 62 6.411 -5.652 -17.909 519 HD22 ASN 62 HD22 ASN 62 6.460 -3.981 -18.440 520 H SER 63 H SER 63 3.992 -5.734 -13.229 521 HA SER 63 HA SER 63 2.824 -6.617 -11.557 522 HB2 SER 63 HB1 SER 63 1.505 -7.653 -13.774 523 HB3 SER 63 HB2 SER 63 1.809 -9.077 -12.750 524 HG SER 63 HG SER 63 -0.162 -8.009 -12.225 525 H ASP 64 H ASP 64 4.640 -9.113 -13.322 526 HA ASP 64 HA ASP 64 4.372 -10.963 -11.027 527 HB2 ASP 64 HB1 ASP 64 4.976 -11.344 -13.978 528 HB3 ASP 64 HB2 ASP 64 5.002 -12.655 -12.780 529 H GLN 65 H GLN 65 5.998 -8.773 -10.717 530 HA GLN 65 HA GLN 65 8.793 -9.770 -10.989 531 HB2 GLN 65 HB1 GLN 65 8.359 -6.883 -10.620 532 HB3 GLN 65 HB2 GLN 65 9.435 -7.741 -11.751 533 HG2 GLN 65 HG1 GLN 65 7.642 -7.948 -13.369 534 HG3 GLN 65 HG2 GLN 65 6.480 -7.238 -12.228 535 HE21 GLN 65 HE12 GLN 65 9.656 -6.427 -13.830 536 HE22 GLN 65 HE22 GLN 65 9.280 -4.731 -14.009 537 H GLU 66 H GLU 66 10.125 -9.421 -9.101 538 HA GLU 66 HA GLU 66 8.744 -8.980 -6.625 539 HB2 GLU 66 HB1 GLU 66 11.705 -8.857 -7.263 540 HB3 GLU 66 HB2 GLU 66 11.008 -8.803 -5.625 541 HG2 GLU 66 HG1 GLU 66 10.199 -11.068 -5.823 542 HG3 GLU 66 HG2 GLU 66 10.648 -11.133 -7.541 543 H ILE 67 H ILE 67 8.489 -7.229 -5.404 544 HA ILE 67 HA ILE 67 10.024 -4.776 -6.023 545 HB ILE 67 HB ILE 67 8.003 -3.547 -4.994 546 HG12 ILE 67 HG13 ILE 67 6.538 -6.012 -5.975 547 HG13 ILE 67 HG12 ILE 67 6.738 -5.540 -4.270 548 HG21 ILE 67 HG21 ILE 67 7.038 -3.280 -7.243 549 HG22 ILE 67 HG22 ILE 67 8.817 -3.336 -7.295 550 HG23 ILE 67 HG23 ILE 67 7.867 -4.763 -7.773 551 HD11 ILE 67 HD11 ILE 67 4.509 -4.885 -5.122 552 HD12 ILE 67 HD12 ILE 67 5.482 -3.462 -4.698 553 HD13 ILE 67 HD13 ILE 67 5.284 -3.931 -6.403 554 H ASP 68 H ASP 68 10.532 -3.454 -4.312 555 HA ASP 68 HA ASP 68 10.416 -4.671 -1.613 556 HB2 ASP 68 HB1 ASP 68 12.439 -3.712 -1.118 557 HB3 ASP 68 HB2 ASP 68 12.635 -4.027 -2.856 558 H PHE 69 H PHE 69 10.828 -2.542 -0.042 559 HA PHE 69 HA PHE 69 8.337 -1.417 0.422 560 HB2 PHE 69 HB1 PHE 69 11.084 -0.392 1.205 561 HB3 PHE 69 HB2 PHE 69 9.556 0.054 1.983 562 HD1 PHE 69 HD2 PHE 69 8.223 -1.708 3.181 563 HD2 PHE 69 HD1 PHE 69 12.257 -2.375 1.824 564 HE1 PHE 69 HE2 PHE 69 8.428 -3.630 4.734 565 HE2 PHE 69 HE1 PHE 69 12.459 -4.297 3.389 566 HZ PHE 69 HZ PHE 69 10.548 -4.908 4.855 567 H LYS 70 H LYS 70 10.400 -0.281 -2.152 568 HA LYS 70 HA LYS 70 9.965 2.560 -1.724 569 HB2 LYS 70 HB1 LYS 70 11.060 0.936 -4.044 570 HB3 LYS 70 HB2 LYS 70 11.027 2.715 -3.997 571 HG2 LYS 70 HG1 LYS 70 12.496 2.757 -2.081 572 HG3 LYS 70 HG2 LYS 70 12.395 0.989 -1.902 573 HD2 LYS 70 HD1 LYS 70 13.480 0.675 -4.097 574 HD3 LYS 70 HD2 LYS 70 13.509 2.435 -4.359 575 HE2 LYS 70 HE1 LYS 70 15.642 2.000 -3.456 576 HE3 LYS 70 HE2 LYS 70 14.699 2.536 -2.048 577 HZ1 LYS 70 HZ1 LYS 70 15.978 0.575 -1.566 578 HZ2 LYS 70 HZ2 LYS 70 14.367 0.237 -1.476 579 HZ3 LYS 70 HZ3 LYS 70 15.243 -0.260 -2.782 580 H GLU 71 H GLU 71 9.005 0.401 -4.456 581 HA GLU 71 HA GLU 71 6.818 1.812 -5.449 582 HB2 GLU 71 HB1 GLU 71 7.250 -1.172 -5.058 583 HB3 GLU 71 HB2 GLU 71 5.832 -0.510 -5.905 584 HG2 GLU 71 HG1 GLU 71 8.229 0.665 -6.994 585 HG3 GLU 71 HG2 GLU 71 8.399 -1.103 -6.969 586 H TYR 72 H TYR 72 6.942 -0.462 -2.659 587 HA TYR 72 HA TYR 72 4.154 -0.553 -2.189 588 HB2 TYR 72 HB1 TYR 72 5.494 -2.246 -1.329 589 HB3 TYR 72 HB2 TYR 72 6.646 -1.109 -0.610 590 HD1 TYR 72 HD1 TYR 72 2.988 -1.928 -0.307 591 HD2 TYR 72 HD2 TYR 72 6.639 -0.922 1.720 592 HE1 TYR 72 HE1 TYR 72 1.911 -2.473 1.864 593 HE2 TYR 72 HE2 TYR 72 5.531 -1.309 3.909 594 HH TYR 72 HH TYR 72 3.652 -2.003 4.993 595 H SER 73 H SER 73 6.613 1.565 -0.610 596 HA SER 73 HA SER 73 4.667 2.838 1.081 597 HB2 SER 73 HB1 SER 73 6.496 4.256 1.751 598 HB3 SER 73 HB2 SER 73 7.080 2.581 1.606 599 HG SER 73 HG SER 73 8.496 4.106 0.628 600 H VAL 74 H VAL 74 6.204 3.876 -2.072 601 HA VAL 74 HA VAL 74 4.715 6.321 -2.057 602 HB VAL 74 HB VAL 74 5.287 6.686 -4.311 603 HG11 VAL 74 HG11 VAL 74 7.741 6.665 -4.143 604 HG12 VAL 74 HG12 VAL 74 6.970 7.123 -2.610 605 HG13 VAL 74 HG13 VAL 74 7.632 5.484 -2.820 606 HG21 VAL 74 HG21 VAL 74 6.541 5.152 -5.761 607 HG22 VAL 74 HG22 VAL 74 6.388 3.885 -4.531 608 HG23 VAL 74 HG23 VAL 74 4.937 4.522 -5.340 609 H PHE 75 H PHE 75 3.874 3.056 -3.190 610 HA PHE 75 HA PHE 75 1.550 3.854 -4.666 611 HB2 PHE 75 HB1 PHE 75 2.813 1.668 -4.833 612 HB3 PHE 75 HB2 PHE 75 2.029 1.190 -3.318 613 HD1 PHE 75 HD2 PHE 75 -0.589 1.169 -3.280 614 HD2 PHE 75 HD1 PHE 75 1.753 1.387 -6.887 615 HE1 PHE 75 HE2 PHE 75 -2.523 0.321 -4.589 616 HE2 PHE 75 HE1 PHE 75 -0.168 0.506 -8.183 617 HZ PHE 75 HZ PHE 75 -2.285 -0.084 -7.032 618 H LEU 76 H LEU 76 1.930 2.621 -1.251 619 HA LEU 76 HA LEU 76 -0.780 2.985 -0.500 620 HB2 LEU 76 HB1 LEU 76 1.814 3.087 1.061 621 HB3 LEU 76 HB2 LEU 76 0.219 3.239 1.837 622 HG LEU 76 HG LEU 76 1.181 0.836 0.239 623 HD11 LEU 76 HD11 LEU 76 1.315 -0.258 2.464 624 HD12 LEU 76 HD12 LEU 76 2.392 1.155 2.379 625 HD13 LEU 76 HD13 LEU 76 0.841 1.270 3.244 626 HD21 LEU 76 HD21 LEU 76 -0.817 -0.302 1.161 627 HD22 LEU 76 HD22 LEU 76 -1.317 1.213 1.943 628 HD23 LEU 76 HD23 LEU 76 -1.276 1.099 0.166 629 H THR 77 H THR 77 1.899 5.315 -0.676 630 HA THR 77 HA THR 77 0.515 7.457 0.659 631 HB THR 77 HB THR 77 2.977 7.399 -1.112 632 HG1 THR 77 HG1 THR 77 3.913 7.579 0.986 633 HG21 THR 77 HG21 THR 77 3.488 9.606 -0.092 634 HG22 THR 77 HG22 THR 77 1.987 9.679 -1.040 635 HG23 THR 77 HG23 THR 77 1.914 9.585 0.736 636 H MET 78 H MET 78 1.151 6.862 -2.878 637 HA MET 78 HA MET 78 -0.483 9.061 -3.708 638 HB2 MET 78 HB1 MET 78 0.301 6.537 -5.209 639 HB3 MET 78 HB2 MET 78 -0.460 7.970 -5.940 640 HG2 MET 78 HG1 MET 78 1.607 9.103 -4.558 641 HG3 MET 78 HG2 MET 78 2.316 7.543 -5.004 642 HE1 MET 78 HE1 MET 78 1.993 7.606 -8.916 643 HE2 MET 78 HE2 MET 78 2.484 6.658 -7.492 644 HE3 MET 78 HE3 MET 78 0.765 7.028 -7.763 645 H LEU 79 H LEU 79 -1.222 5.662 -3.039 646 HA LEU 79 HA LEU 79 -3.946 5.676 -3.828 647 HB2 LEU 79 HB1 LEU 79 -2.775 3.625 -3.387 648 HB3 LEU 79 HB2 LEU 79 -2.481 4.104 -1.698 649 HG LEU 79 HG LEU 79 -4.848 3.914 -1.186 650 HD11 LEU 79 HD11 LEU 79 -6.477 3.041 -2.836 651 HD12 LEU 79 HD12 LEU 79 -5.798 4.598 -3.362 652 HD13 LEU 79 HD13 LEU 79 -5.220 3.082 -4.092 653 HD21 LEU 79 HD21 LEU 79 -5.081 1.462 -1.490 654 HD22 LEU 79 HD22 LEU 79 -3.803 1.495 -2.727 655 HD23 LEU 79 HD23 LEU 79 -3.416 1.897 -1.037 656 H CYS 80 H CYS 80 -2.499 6.510 -0.574 657 HA CYS 80 HA CYS 80 -4.931 7.311 0.627 658 HB2 CYS 80 HB1 CYS 80 -2.749 6.969 1.761 659 HB3 CYS 80 HB2 CYS 80 -2.143 8.464 1.007 660 HG CYS 80 HG CYS 80 -2.710 8.905 3.528 661 H MET 81 H MET 81 -2.763 9.141 -1.552 662 HA MET 81 HA MET 81 -4.161 11.617 -1.440 663 HB2 MET 81 HB1 MET 81 -1.762 10.931 -2.318 664 HB3 MET 81 HB2 MET 81 -2.615 10.796 -3.873 665 HG2 MET 81 HG1 MET 81 -1.769 13.009 -3.783 666 HG3 MET 81 HG2 MET 81 -3.507 13.128 -3.467 667 HE1 MET 81 HE1 MET 81 -0.036 14.143 -0.612 668 HE2 MET 81 HE2 MET 81 -0.105 12.571 -1.445 669 HE3 MET 81 HE3 MET 81 0.003 14.076 -2.390 670 H ALA 82 H ALA 82 -5.202 8.675 -2.835 671 HA ALA 82 HA ALA 82 -6.839 9.934 -4.894 672 HB1 ALA 82 HB1 ALA 82 -7.536 7.625 -5.390 673 HB2 ALA 82 HB2 ALA 82 -5.765 7.773 -5.308 674 HB3 ALA 82 HB3 ALA 82 -6.661 7.052 -3.950 675 H TYR 83 H TYR 83 -7.237 10.197 -1.734 676 HA TYR 83 HA TYR 83 -10.026 10.706 -1.818 677 HB2 TYR 83 HB1 TYR 83 -10.742 8.997 -0.109 678 HB3 TYR 83 HB2 TYR 83 -10.423 8.389 -1.742 679 HD1 TYR 83 HD1 TYR 83 -9.151 8.511 1.746 680 HD2 TYR 83 HD2 TYR 83 -8.691 6.775 -2.170 681 HE1 TYR 83 HE1 TYR 83 -7.652 6.768 2.698 682 HE2 TYR 83 HE2 TYR 83 -7.239 5.000 -1.219 683 HH TYR 83 HH TYR 83 -6.231 4.167 0.650 684 H ASN 84 H ASN 84 -7.111 11.407 -0.419 685 HA ASN 84 HA ASN 84 -8.000 11.653 2.321 686 HB2 ASN 84 HB1 ASN 84 -5.769 12.391 2.855 687 HB3 ASN 84 HB2 ASN 84 -5.781 10.892 1.903 688 HD21 ASN 84 HD21 ASN 84 -3.433 11.652 1.771 689 HD22 ASN 84 HD22 ASN 84 -3.026 12.656 0.392 690 H ASP 85 H ASP 85 -8.740 13.759 -0.150 691 HA ASP 85 HA ASP 85 -9.038 16.102 1.413 692 HB2 ASP 85 HB1 ASP 85 -10.829 14.843 -0.679 693 HB3 ASP 85 HB2 ASP 85 -11.146 16.430 0.054 694 H PHE 86 H PHE 86 -10.367 12.947 2.049 695 HA PHE 86 HA PHE 86 -12.516 13.574 3.752 696 HB2 PHE 86 HB1 PHE 86 -11.673 11.340 2.931 697 HB3 PHE 86 HB2 PHE 86 -10.384 11.448 4.142 698 HD1 PHE 86 HD2 PHE 86 -14.076 11.215 3.686 699 HD2 PHE 86 HD1 PHE 86 -10.775 10.843 6.425 700 HE1 PHE 86 HE2 PHE 86 -15.572 10.123 5.343 701 HE2 PHE 86 HE1 PHE 86 -12.279 9.775 8.092 702 HZ PHE 86 HZ PHE 86 -14.674 9.403 7.544 703 H PHE 87 H PHE 87 -9.198 14.459 4.164 704 HA PHE 87 HA PHE 87 -9.629 15.190 7.004 705 HB2 PHE 87 HB1 PHE 87 -7.043 15.228 5.424 706 HB3 PHE 87 HB2 PHE 87 -7.242 15.345 7.180 707 HD1 PHE 87 HD2 PHE 87 -8.930 13.153 7.975 708 HD2 PHE 87 HD1 PHE 87 -5.965 13.264 4.858 709 HE1 PHE 87 HE2 PHE 87 -8.740 10.678 8.064 710 HE2 PHE 87 HE1 PHE 87 -5.824 10.786 4.899 711 HZ PHE 87 HZ PHE 87 -7.214 9.486 6.502 712 H LEU 88 H LEU 88 -10.597 16.610 4.398 713 HA LEU 88 HA LEU 88 -9.812 19.347 5.235 714 HB2 LEU 88 HB1 LEU 88 -9.865 18.100 2.493 715 HB3 LEU 88 HB2 LEU 88 -10.299 19.816 2.665 716 HG LEU 88 HG LEU 88 -7.751 18.693 3.837 717 HD11 LEU 88 HD11 LEU 88 -6.553 19.441 1.803 718 HD12 LEU 88 HD12 LEU 88 -7.732 18.165 1.428 719 HD13 LEU 88 HD13 LEU 88 -8.106 19.862 1.049 720 HD21 LEU 88 HD21 LEU 88 -6.980 21.043 3.660 721 HD22 LEU 88 HD22 LEU 88 -8.539 21.494 2.936 722 HD23 LEU 88 HD23 LEU 88 -8.471 20.922 4.620 723 H GLU 89 H GLU 89 -11.312 20.959 4.610 724 HA GLU 89 HA GLU 89 -14.128 20.210 5.089 725 HB2 GLU 89 HB1 GLU 89 -12.683 22.891 5.118 726 HB3 GLU 89 HB2 GLU 89 -14.332 22.573 5.709 727 HG2 GLU 89 HG1 GLU 89 -13.104 22.684 7.670 728 HG3 GLU 89 HG2 GLU 89 -13.183 20.936 7.362 729 H ASP 90 H ASP 90 -12.259 20.695 2.481 730 HA ASP 90 HA ASP 90 -12.270 21.432 0.408 731 HB2 ASP 90 HB1 ASP 90 -14.399 20.050 0.387 732 HB3 ASP 90 HB2 ASP 90 -15.284 21.592 0.434 733 H ASN 91 H ASN 91 -13.083 23.509 2.811 734 HA ASN 91 HA ASN 91 -13.931 25.851 1.432 735 HB2 ASN 91 HB1 ASN 91 -12.723 25.219 4.110 736 HB3 ASN 91 HB2 ASN 91 -12.867 26.913 3.592 737 HD21 ASN 91 HD21 ASN 91 -15.023 23.980 3.489 738 HD22 ASN 91 HD22 ASN 91 -16.427 24.820 4.137 739 H LYS 92 H LYS 92 -10.879 24.340 1.537 740 HA LYS 92 HA LYS 92 -9.257 24.491 -0.004 741 HB2 LYS 92 HB1 LYS 92 -9.768 27.423 -0.435 742 HB3 LYS 92 HB2 LYS 92 -8.697 26.351 -1.369 743 HG2 LYS 92 HG1 LYS 92 -11.721 26.365 -1.297 744 HG3 LYS 92 HG2 LYS 92 -10.652 26.763 -2.664 745 HD2 LYS 92 HD1 LYS 92 -10.091 24.467 -3.015 746 HD3 LYS 92 HD2 LYS 92 -10.802 23.978 -1.457 747 HE2 LYS 92 HE1 LYS 92 -13.020 24.945 -2.356 748 HE3 LYS 92 HE2 LYS 92 -12.232 24.982 -3.949 749 HZ1 LYS 92 HZ1 LYS 92 -13.497 22.983 -3.630 750 HZ2 LYS 92 HZ2 LYS 92 -11.894 22.624 -3.765 751 HZ3 LYS 92 HZ3 LYS 92 -12.626 22.589 -2.288 752 HA MET 1 HA MET 1 -11.566 2.948 12.639 753 HB2 MET 1 HB1 MET 1 -8.795 1.720 12.453 754 HB3 MET 1 HB2 MET 1 -9.426 3.118 11.548 755 HG2 MET 1 HG1 MET 1 -8.647 2.927 14.454 756 HG3 MET 1 HG2 MET 1 -8.059 4.047 13.214 757 HE1 MET 1 HE1 MET 1 -10.293 7.037 13.323 758 HE2 MET 1 HE2 MET 1 -8.617 6.446 13.321 759 HE3 MET 1 HE3 MET 1 -9.752 5.911 12.059 760 H GLU 2 H GLU 2 -10.522 1.864 10.086 761 HA GLU 2 HA GLU 2 -11.237 -0.965 10.093 762 HB2 GLU 2 HB1 GLU 2 -9.643 0.739 8.154 763 HB3 GLU 2 HB2 GLU 2 -10.040 -0.977 7.899 764 HG2 GLU 2 HG1 GLU 2 -12.459 -0.417 8.087 765 HG3 GLU 2 HG2 GLU 2 -12.030 1.299 8.261 766 H THR 3 H THR 3 -8.150 -0.768 8.767 767 HA THR 3 HA THR 3 -7.505 -2.947 10.612 768 HB THR 3 HB THR 3 -6.001 -3.601 8.728 769 HG1 THR 3 HG1 THR 3 -6.120 -2.292 6.852 770 HG21 THR 3 HG21 THR 3 -7.763 -4.019 7.035 771 HG22 THR 3 HG22 THR 3 -8.368 -4.326 8.679 772 HG23 THR 3 HG23 THR 3 -8.811 -2.825 7.834 773 HA PRO 4 HA PRO 4 -3.778 -1.129 12.204 774 HB2 PRO 4 HB1 PRO 4 -1.933 -3.161 12.267 775 HB3 PRO 4 HB2 PRO 4 -3.355 -3.075 13.359 776 HG2 PRO 4 HG1 PRO 4 -3.102 -4.620 10.773 777 HG3 PRO 4 HG2 PRO 4 -3.694 -5.221 12.356 778 HD2 PRO 4 HD1 PRO 4 -5.411 -4.396 10.404 779 HD3 PRO 4 HD2 PRO 4 -5.734 -4.021 12.124 780 H LEU 5 H LEU 5 -3.402 -2.846 9.033 781 HA LEU 5 HA LEU 5 -1.093 -1.565 8.077 782 HB2 LEU 5 HB1 LEU 5 -2.284 -3.245 6.796 783 HB3 LEU 5 HB2 LEU 5 -3.728 -2.210 6.697 784 HG LEU 5 HG LEU 5 -2.413 -0.577 5.340 785 HD11 LEU 5 HD11 LEU 5 -0.270 -1.275 4.314 786 HD12 LEU 5 HD12 LEU 5 -0.138 -1.170 6.083 787 HD13 LEU 5 HD13 LEU 5 -0.290 -2.757 5.294 788 HD21 LEU 5 HD21 LEU 5 -2.436 -1.923 3.260 789 HD22 LEU 5 HD22 LEU 5 -2.497 -3.413 4.227 790 HD23 LEU 5 HD23 LEU 5 -3.860 -2.270 4.267 791 H GLU 6 H GLU 6 -4.476 -0.366 7.821 792 HA GLU 6 HA GLU 6 -3.929 2.289 7.102 793 HB2 GLU 6 HB1 GLU 6 -6.110 1.665 6.867 794 HB3 GLU 6 HB2 GLU 6 -6.155 0.808 8.425 795 HG2 GLU 6 HG1 GLU 6 -7.617 2.849 8.225 796 HG3 GLU 6 HG2 GLU 6 -6.530 2.792 9.630 797 H LYS 7 H LYS 7 -3.899 0.843 10.475 798 HA LYS 7 HA LYS 7 -3.576 3.355 11.679 799 HB2 LYS 7 HB1 LYS 7 -2.678 0.662 12.634 800 HB3 LYS 7 HB2 LYS 7 -2.357 2.152 13.554 801 HG2 LYS 7 HG1 LYS 7 -5.048 0.996 12.791 802 HG3 LYS 7 HG2 LYS 7 -4.337 1.103 14.418 803 HD2 LYS 7 HD1 LYS 7 -5.330 3.378 12.688 804 HD3 LYS 7 HD2 LYS 7 -6.063 2.756 14.187 805 HE2 LYS 7 HE1 LYS 7 -5.066 4.682 14.948 806 HE3 LYS 7 HE2 LYS 7 -3.786 3.493 15.268 807 HZ1 LYS 7 HZ1 LYS 7 -2.918 5.489 14.273 808 HZ2 LYS 7 HZ2 LYS 7 -2.707 4.209 13.257 809 HZ3 LYS 7 HZ3 LYS 7 -3.895 5.314 12.960 810 H ALA 8 H ALA 8 -1.065 1.663 9.831 811 HA ALA 8 HA ALA 8 1.035 3.417 10.701 812 HB1 ALA 8 HB1 ALA 8 2.146 2.725 8.615 813 HB2 ALA 8 HB2 ALA 8 1.458 1.331 9.481 814 HB3 ALA 8 HB3 ALA 8 0.628 1.987 8.050 815 H LEU 9 H LEU 9 -1.144 3.567 7.834 816 HA LEU 9 HA LEU 9 -0.292 6.035 6.823 817 HB2 LEU 9 HB1 LEU 9 -2.840 4.455 6.606 818 HB3 LEU 9 HB2 LEU 9 -2.709 6.068 5.863 819 HG LEU 9 HG LEU 9 -2.363 4.339 4.229 820 HD11 LEU 9 HD11 LEU 9 -0.208 5.065 3.266 821 HD12 LEU 9 HD12 LEU 9 -1.126 6.431 3.932 822 HD13 LEU 9 HD13 LEU 9 0.251 5.757 4.836 823 HD21 LEU 9 HD21 LEU 9 -0.450 2.785 4.257 824 HD22 LEU 9 HD22 LEU 9 0.006 3.389 5.862 825 HD23 LEU 9 HD23 LEU 9 -1.533 2.524 5.640 826 H THR 10 H THR 10 -3.080 5.445 9.133 827 HA THR 10 HA THR 10 -3.850 8.105 9.425 828 HB THR 10 HB THR 10 -3.778 7.058 12.076 829 HG1 THR 10 HG1 THR 10 -5.093 5.238 11.792 830 HG21 THR 10 HG21 THR 10 -6.213 7.327 11.846 831 HG22 THR 10 HG22 THR 10 -5.331 8.710 11.159 832 HG23 THR 10 HG23 THR 10 -6.025 7.474 10.084 833 H THR 11 H THR 11 -1.296 6.369 11.271 834 HA THR 11 HA THR 11 -0.574 8.524 12.958 835 HB THR 11 HB THR 11 1.243 6.344 11.880 836 HG1 THR 11 HG1 THR 11 0.496 5.242 13.756 837 HG21 THR 11 HG21 THR 11 2.405 6.579 14.058 838 HG22 THR 11 HG22 THR 11 2.438 8.103 13.145 839 HG23 THR 11 HG23 THR 11 1.300 7.900 14.499 840 H MET 12 H MET 12 0.433 7.725 9.643 841 HA MET 12 HA MET 12 2.574 9.658 9.547 842 HB2 MET 12 HB1 MET 12 1.137 8.049 7.411 843 HB3 MET 12 HB2 MET 12 2.530 9.106 7.086 844 HG2 MET 12 HG1 MET 12 3.973 7.795 8.459 845 HG3 MET 12 HG2 MET 12 2.615 6.914 9.180 846 HE1 MET 12 HE1 MET 12 5.257 5.441 6.001 847 HE2 MET 12 HE2 MET 12 5.212 7.175 6.396 848 HE3 MET 12 HE3 MET 12 5.478 5.976 7.683 849 H VAL 13 H VAL 13 -0.838 9.668 8.346 850 HA VAL 13 HA VAL 13 -0.564 12.327 7.286 851 HB VAL 13 HB VAL 13 -2.969 12.432 7.051 852 HG11 VAL 13 HG11 VAL 13 -3.211 10.608 5.394 853 HG12 VAL 13 HG12 VAL 13 -1.609 11.366 5.303 854 HG13 VAL 13 HG13 VAL 13 -1.803 9.788 6.102 855 HG21 VAL 13 HG21 VAL 13 -4.448 10.521 7.543 856 HG22 VAL 13 HG22 VAL 13 -3.091 9.686 8.325 857 HG23 VAL 13 HG23 VAL 13 -3.728 11.197 9.017 858 H THR 14 H THR 14 -1.589 11.116 10.507 859 HA THR 14 HA THR 14 -2.456 13.670 11.486 860 HB THR 14 HB THR 14 -1.426 11.255 13.011 861 HG1 THR 14 HG1 THR 14 -3.689 10.889 13.220 862 HG21 THR 14 HG21 THR 14 -2.725 12.173 14.919 863 HG22 THR 14 HG22 THR 14 -1.445 13.297 14.415 864 HG23 THR 14 HG23 THR 14 -3.134 13.601 13.945 865 H THR 15 H THR 15 0.752 11.996 11.619 866 HA THR 15 HA THR 15 1.975 14.091 13.145 867 HB THR 15 HB THR 15 4.156 13.098 12.266 868 HG1 THR 15 HG1 THR 15 3.880 10.998 11.394 869 HG21 THR 15 HG21 THR 15 3.929 11.127 13.745 870 HG22 THR 15 HG22 THR 15 3.171 12.564 14.466 871 HG23 THR 15 HG23 THR 15 2.161 11.308 13.710 872 H PHE 16 H PHE 16 1.881 13.503 9.576 873 HA PHE 16 HA PHE 16 3.471 15.835 8.997 874 HB2 PHE 16 HB1 PHE 16 3.128 13.784 7.611 875 HB3 PHE 16 HB2 PHE 16 1.477 14.337 7.280 876 HD1 PHE 16 HD2 PHE 16 1.151 16.507 5.990 877 HD2 PHE 16 HD1 PHE 16 4.966 14.533 6.297 878 HE1 PHE 16 HE2 PHE 16 1.905 17.602 3.901 879 HE2 PHE 16 HE1 PHE 16 5.665 15.540 4.130 880 HZ PHE 16 HZ PHE 16 4.106 17.041 2.905 881 H HIS 17 H HIS 17 -0.076 15.372 9.382 882 HA HIS 17 HA HIS 17 -0.920 17.993 8.771 883 HB2 HIS 17 HB1 HIS 17 -2.502 16.197 9.182 884 HB3 HIS 17 HB2 HIS 17 -1.959 16.058 10.865 885 HD1 HIS 17 HD1 HIS 17 -2.347 18.655 12.219 886 HD2 HIS 17 HD2 HIS 17 -4.727 17.517 8.954 887 HE1 HIS 17 HE1 HIS 17 -4.393 20.177 12.258 888 HE2 HIS 17 HE2 HIS 17 -5.867 19.497 10.274 889 H LYS 18 H LYS 18 0.319 16.678 11.884 890 HA LYS 18 HA LYS 18 -0.072 18.933 13.493 891 HB2 LYS 18 HB1 LYS 18 0.422 16.561 14.108 892 HB3 LYS 18 HB2 LYS 18 2.128 16.864 13.691 893 HG2 LYS 18 HG1 LYS 18 1.236 18.847 15.594 894 HG3 LYS 18 HG2 LYS 18 0.856 17.216 16.199 895 HD2 LYS 18 HD1 LYS 18 3.238 16.564 15.563 896 HD3 LYS 18 HD2 LYS 18 3.551 18.298 15.305 897 HE2 LYS 18 HE1 LYS 18 3.185 18.797 17.618 898 HE3 LYS 18 HE2 LYS 18 2.521 17.179 17.933 899 HZ1 LYS 18 HZ1 LYS 18 4.800 17.356 18.636 900 HZ2 LYS 18 HZ2 LYS 18 4.675 16.263 17.408 901 HZ3 LYS 18 HZ3 LYS 18 5.290 17.764 17.115 902 H TYR 19 H TYR 19 2.341 18.663 10.980 903 HA TYR 19 HA TYR 19 3.564 21.182 11.977 904 HB2 TYR 19 HB1 TYR 19 4.739 18.997 10.241 905 HB3 TYR 19 HB2 TYR 19 5.516 20.566 10.519 906 HD1 TYR 19 HD2 TYR 19 4.356 17.448 12.162 907 HD2 TYR 19 HD1 TYR 19 6.843 20.944 12.487 908 HE1 TYR 19 HE2 TYR 19 5.291 16.564 14.282 909 HE2 TYR 19 HE1 TYR 19 7.764 20.088 14.635 910 HH TYR 19 HH TYR 19 6.616 17.036 16.109 911 H SER 20 H SER 20 1.539 19.966 9.437 912 HA SER 20 HA SER 20 2.163 22.221 7.632 913 HB2 SER 20 HB1 SER 20 0.219 21.200 6.288 914 HB3 SER 20 HB2 SER 20 1.733 20.271 6.401 915 HG SER 20 HG SER 20 -0.129 18.981 6.733 916 H GLY 21 H GLY 21 -0.685 20.999 9.492 917 HA2 GLY 21 HA2 GLY 21 -1.379 23.543 9.379 918 H ARG 22 H ARG 22 0.785 23.082 10.746 919 HA ARG 22 HA ARG 22 0.862 24.946 12.827 920 HB2 ARG 22 HB1 ARG 22 2.708 23.562 11.755 921 HB3 ARG 22 HB2 ARG 22 2.747 24.775 10.454 922 HG2 ARG 22 HG1 ARG 22 3.246 26.533 12.147 923 HG3 ARG 22 HG2 ARG 22 3.284 25.277 13.407 924 HD2 ARG 22 HD1 ARG 22 5.562 25.794 12.683 925 HD3 ARG 22 HD2 ARG 22 5.132 24.140 12.194 926 HE ARG 22 HE ARG 22 5.505 24.739 10.040 927 HH11 ARG 22 HH12 ARG 22 4.919 27.804 11.733 928 HH12 ARG 22 HH11 ARG 22 5.105 28.739 10.277 929 HH21 ARG 22 HH22 ARG 22 5.619 26.018 8.224 930 HH22 ARG 22 HH21 ARG 22 5.489 27.754 8.350 931 H GLU 23 H GLU 23 0.416 25.500 9.321 932 HA GLU 23 HA GLU 23 -0.587 28.204 9.943 933 HB2 GLU 23 HB1 GLU 23 1.579 27.551 7.926 934 HB3 GLU 23 HB2 GLU 23 0.562 29.004 7.778 935 HG2 GLU 23 HG1 GLU 23 1.328 29.737 10.023 936 HG3 GLU 23 HG2 GLU 23 2.388 28.314 10.108 937 H GLY 24 H GLY 24 -0.517 25.477 7.505 938 HA2 GLY 24 HA2 GLY 24 -2.689 26.244 6.638 939 H SER 25 H SER 25 -1.714 25.203 3.687 940 HA SER 25 HA SER 25 -3.878 23.431 3.639 941 HB2 SER 25 HB1 SER 25 -2.328 22.371 1.744 942 HB3 SER 25 HB2 SER 25 -3.089 23.967 1.537 943 HG SER 25 HG SER 25 -0.847 23.973 0.994 944 H LYS 26 H LYS 26 -4.200 21.718 4.960 945 HA LYS 26 HA LYS 26 -2.184 20.593 6.607 946 HB2 LYS 26 HB1 LYS 26 -5.078 19.926 6.007 947 HB3 LYS 26 HB2 LYS 26 -4.132 19.057 7.238 948 HG2 LYS 26 HG1 LYS 26 -3.936 20.944 8.612 949 HG3 LYS 26 HG2 LYS 26 -4.268 22.074 7.276 950 HD2 LYS 26 HD1 LYS 26 -6.338 20.213 8.502 951 HD3 LYS 26 HD2 LYS 26 -6.115 21.917 8.961 952 HE2 LYS 26 HE1 LYS 26 -6.390 22.422 6.429 953 HE3 LYS 26 HE2 LYS 26 -7.045 20.773 6.314 954 HZ1 LYS 26 HZ1 LYS 26 -8.768 22.395 6.610 955 HZ2 LYS 26 HZ2 LYS 26 -8.705 21.390 7.913 956 HZ3 LYS 26 HZ3 LYS 26 -8.096 22.920 8.021 957 H LEU 27 H LEU 27 -2.170 20.000 3.489 958 HA LEU 27 HA LEU 27 -1.223 17.206 3.727 959 HB2 LEU 27 HB1 LEU 27 -2.648 18.566 1.418 960 HB3 LEU 27 HB2 LEU 27 -1.901 16.953 1.336 961 HG LEU 27 HG LEU 27 -4.196 17.716 3.178 962 HD11 LEU 27 HD11 LEU 27 -5.591 16.416 1.593 963 HD12 LEU 27 HD12 LEU 27 -4.819 17.801 0.784 964 HD13 LEU 27 HD13 LEU 27 -4.169 16.160 0.553 965 HD21 LEU 27 HD21 LEU 27 -4.457 15.275 3.509 966 HD22 LEU 27 HD22 LEU 27 -3.031 14.986 2.488 967 HD23 LEU 27 HD23 LEU 27 -2.856 15.831 4.045 968 H THR 28 H THR 28 -0.185 20.433 3.054 969 HA THR 28 HA THR 28 2.404 19.283 2.160 970 HB THR 28 HB THR 28 2.885 21.267 0.811 971 HG1 THR 28 HG1 THR 28 1.152 22.666 0.268 972 HG21 THR 28 HG21 THR 28 1.416 20.776 -1.120 973 HG22 THR 28 HG22 THR 28 1.958 19.287 -0.319 974 HG23 THR 28 HG23 THR 28 0.309 19.897 -0.044 975 H LEU 29 H LEU 29 4.305 20.507 2.824 976 HA LEU 29 HA LEU 29 4.082 22.904 4.407 977 HB2 LEU 29 HB1 LEU 29 4.797 22.244 6.512 978 HB3 LEU 29 HB2 LEU 29 3.549 21.048 6.083 979 HG LEU 29 HG LEU 29 6.552 20.613 6.013 980 HD11 LEU 29 HD11 LEU 29 6.088 19.111 7.935 981 HD12 LEU 29 HD12 LEU 29 5.568 20.776 8.283 982 HD13 LEU 29 HD13 LEU 29 4.362 19.542 7.849 983 HD21 LEU 29 HD21 LEU 29 6.036 18.220 5.656 984 HD22 LEU 29 HD22 LEU 29 4.307 18.615 5.559 985 HD23 LEU 29 HD23 LEU 29 5.432 19.218 4.316 986 H SER 30 H SER 30 6.402 23.490 5.355 987 HA SER 30 HA SER 30 8.130 23.327 3.100 988 HB2 SER 30 HB1 SER 30 9.668 24.219 5.311 989 HB3 SER 30 HB2 SER 30 9.010 25.144 3.938 990 HG SER 30 HG SER 30 8.331 25.959 5.969 991 H ARG 31 H ARG 31 9.857 22.240 2.579 992 HA ARG 31 HA ARG 31 10.850 19.852 3.557 993 HB2 ARG 31 HB1 ARG 31 11.311 21.106 1.411 994 HB3 ARG 31 HB2 ARG 31 12.440 22.134 2.326 995 HG2 ARG 31 HG1 ARG 31 13.886 20.258 2.775 996 HG3 ARG 31 HG2 ARG 31 12.709 19.122 2.072 997 HD2 ARG 31 HD1 ARG 31 13.014 20.702 -0.063 998 HD3 ARG 31 HD2 ARG 31 14.577 21.041 0.711 999 HE ARG 31 HE ARG 31 15.260 18.823 0.330 1000 HH11 ARG 31 HH12 ARG 31 12.144 19.481 -1.109 1001 HH12 ARG 31 HH11 ARG 31 12.024 17.911 -1.863 1002 HH21 ARG 31 HH22 ARG 31 14.980 16.709 -0.504 1003 HH22 ARG 31 HH21 ARG 31 13.605 16.365 -1.526 1004 H LYS 32 H LYS 32 11.548 23.110 4.821 1005 HA LYS 32 HA LYS 32 13.512 22.408 6.735 1006 HB2 LYS 32 HB1 LYS 32 11.878 24.685 6.021 1007 HB3 LYS 32 HB2 LYS 32 11.978 24.522 7.791 1008 HG2 LYS 32 HG1 LYS 32 14.260 24.865 7.837 1009 HG3 LYS 32 HG2 LYS 32 14.505 24.184 6.211 1010 HD2 LYS 32 HD1 LYS 32 13.691 26.227 5.174 1011 HD3 LYS 32 HD2 LYS 32 13.238 26.900 6.758 1012 HE2 LYS 32 HE1 LYS 32 15.478 27.187 7.421 1013 HE3 LYS 32 HE2 LYS 32 16.082 26.008 6.238 1014 HZ1 LYS 32 HZ1 LYS 32 16.594 28.249 5.597 1015 HZ2 LYS 32 HZ2 LYS 32 15.558 27.571 4.508 1016 HZ3 LYS 32 HZ3 LYS 32 14.998 28.666 5.607 1017 H GLU 33 H GLU 33 9.902 22.698 7.424 1018 HA GLU 33 HA GLU 33 10.098 21.552 9.983 1019 HB2 GLU 33 HB1 GLU 33 7.843 21.526 7.967 1020 HB3 GLU 33 HB2 GLU 33 7.696 20.759 9.567 1021 HG2 GLU 33 HG1 GLU 33 6.829 22.801 10.089 1022 HG3 GLU 33 HG2 GLU 33 8.546 23.177 10.351 1023 H LEU 34 H LEU 34 9.838 19.821 6.788 1024 HA LEU 34 HA LEU 34 9.382 17.262 7.891 1025 HB2 LEU 34 HB1 LEU 34 9.233 17.676 5.508 1026 HB3 LEU 34 HB2 LEU 34 10.975 18.033 5.427 1027 HG LEU 34 HG LEU 34 11.479 15.717 6.116 1028 HD11 LEU 34 HD11 LEU 34 9.724 13.968 6.136 1029 HD12 LEU 34 HD12 LEU 34 9.436 15.191 7.392 1030 HD13 LEU 34 HD13 LEU 34 8.486 15.217 5.887 1031 HD21 LEU 34 HD21 LEU 34 10.807 14.588 4.016 1032 HD22 LEU 34 HD22 LEU 34 9.595 15.856 3.729 1033 HD23 LEU 34 HD23 LEU 34 11.330 16.259 3.715 1034 H LYS 35 H LYS 35 12.546 19.030 7.523 1035 HA LYS 35 HA LYS 35 14.007 16.777 8.541 1036 HB2 LYS 35 HB1 LYS 35 15.846 17.912 8.095 1037 HB3 LYS 35 HB2 LYS 35 14.725 18.973 7.209 1038 HG2 LYS 35 HG1 LYS 35 14.716 20.558 9.077 1039 HG3 LYS 35 HG2 LYS 35 15.787 19.485 10.011 1040 HD2 LYS 35 HD1 LYS 35 16.543 20.521 7.260 1041 HD3 LYS 35 HD2 LYS 35 16.898 21.438 8.743 1042 HE2 LYS 35 HE1 LYS 35 18.403 19.824 9.541 1043 HE3 LYS 35 HE2 LYS 35 17.700 18.532 8.543 1044 HZ1 LYS 35 HZ1 LYS 35 19.827 19.232 7.723 1045 HZ2 LYS 35 HZ2 LYS 35 18.651 19.585 6.625 1046 HZ3 LYS 35 HZ3 LYS 35 19.301 20.785 7.550 1047 H GLU 36 H GLU 36 12.434 19.520 10.197 1048 HA GLU 36 HA GLU 36 13.374 18.812 12.788 1049 HB2 GLU 36 HB1 GLU 36 12.341 20.971 12.472 1050 HB3 GLU 36 HB2 GLU 36 10.813 20.222 11.946 1051 HG2 GLU 36 HG1 GLU 36 10.362 19.336 14.063 1052 HG3 GLU 36 HG2 GLU 36 12.060 19.445 14.575 1053 H LEU 37 H LEU 37 10.546 17.620 10.916 1054 HA LEU 37 HA LEU 37 9.182 16.170 12.863 1055 HB2 LEU 37 HB1 LEU 37 8.543 16.686 10.481 1056 HB3 LEU 37 HB2 LEU 37 9.650 15.393 9.960 1057 HG LEU 37 HG LEU 37 8.217 13.807 11.376 1058 HD11 LEU 37 HD11 LEU 37 5.881 14.540 11.749 1059 HD12 LEU 37 HD12 LEU 37 7.019 15.542 12.675 1060 HD13 LEU 37 HD13 LEU 37 6.302 16.170 11.173 1061 HD21 LEU 37 HD21 LEU 37 6.536 13.608 9.556 1062 HD22 LEU 37 HD22 LEU 37 6.965 15.237 8.983 1063 HD23 LEU 37 HD23 LEU 37 8.158 13.920 8.892 1064 H ILE 38 H ILE 38 12.008 15.186 10.961 1065 HA ILE 38 HA ILE 38 12.087 12.448 11.786 1066 HB ILE 38 HB ILE 38 14.089 14.267 10.431 1067 HG12 ILE 38 HG13 ILE 38 12.614 11.973 9.134 1068 HG13 ILE 38 HG12 ILE 38 11.756 13.505 9.418 1069 HG21 ILE 38 HG21 ILE 38 15.314 12.233 9.719 1070 HG22 ILE 38 HG22 ILE 38 15.321 12.409 11.487 1071 HG23 ILE 38 HG23 ILE 38 14.226 11.239 10.712 1072 HD11 ILE 38 HD11 ILE 38 12.728 13.438 7.144 1073 HD12 ILE 38 HD12 ILE 38 13.480 14.714 8.130 1074 HD13 ILE 38 HD13 ILE 38 14.342 13.183 7.845 1075 H LYS 39 H LYS 39 13.440 15.358 13.306 1076 HA LYS 39 HA LYS 39 14.603 13.653 15.423 1077 HB2 LYS 39 HB1 LYS 39 15.262 16.246 14.197 1078 HB3 LYS 39 HB2 LYS 39 15.321 16.271 15.976 1079 HG2 LYS 39 HG1 LYS 39 17.469 15.618 15.426 1080 HG3 LYS 39 HG2 LYS 39 16.657 14.064 15.733 1081 HD2 LYS 39 HD1 LYS 39 16.327 14.114 13.110 1082 HD3 LYS 39 HD2 LYS 39 17.730 15.207 13.192 1083 HE2 LYS 39 HE1 LYS 39 17.561 12.301 14.019 1084 HE3 LYS 39 HE2 LYS 39 18.562 13.027 12.744 1085 HZ1 LYS 39 HZ1 LYS 39 19.860 12.430 14.659 1086 HZ2 LYS 39 HZ2 LYS 39 19.870 14.061 14.446 1087 HZ3 LYS 39 HZ3 LYS 39 18.942 13.388 15.631 1088 H LYS 40 H LYS 40 11.618 15.111 14.902 1089 HA LYS 40 HA LYS 40 11.190 15.537 17.814 1090 HB2 LYS 40 HB1 LYS 40 9.636 16.368 15.350 1091 HB3 LYS 40 HB2 LYS 40 8.952 16.463 16.990 1092 HG2 LYS 40 HG1 LYS 40 11.406 17.942 16.000 1093 HG3 LYS 40 HG2 LYS 40 9.780 18.633 16.213 1094 HD2 LYS 40 HD1 LYS 40 10.142 17.631 18.675 1095 HD3 LYS 40 HD2 LYS 40 11.843 17.908 18.233 1096 HE2 LYS 40 HE1 LYS 40 9.632 19.990 18.241 1097 HE3 LYS 40 HE2 LYS 40 10.903 19.808 19.470 1098 HZ1 LYS 40 HZ1 LYS 40 11.393 21.570 17.939 1099 HZ2 LYS 40 HZ2 LYS 40 12.508 20.366 17.801 1100 HZ3 LYS 40 HZ3 LYS 40 11.329 20.535 16.660 1101 H GLU 41 H GLU 41 9.370 14.180 15.048 1102 HA GLU 41 HA GLU 41 7.810 12.394 16.762 1103 HB2 GLU 41 HB1 GLU 41 7.854 12.797 13.750 1104 HB3 GLU 41 HB2 GLU 41 6.715 11.745 14.624 1105 HG2 GLU 41 HG1 GLU 41 6.947 14.750 14.942 1106 HG3 GLU 41 HG2 GLU 41 5.716 13.900 13.983 1107 H LEU 42 H LEU 42 10.452 12.028 14.298 1108 HA LEU 42 HA LEU 42 11.026 9.422 15.618 1109 HB2 LEU 42 HB1 LEU 42 11.456 10.606 12.971 1110 HB3 LEU 42 HB2 LEU 42 12.947 9.928 13.666 1111 HG LEU 42 HG LEU 42 11.727 8.402 12.173 1112 HD11 LEU 42 HD11 LEU 42 11.910 6.400 13.610 1113 HD12 LEU 42 HD12 LEU 42 13.255 7.528 13.876 1114 HD13 LEU 42 HD13 LEU 42 11.919 7.444 15.047 1115 HD21 LEU 42 HD21 LEU 42 9.673 7.253 12.903 1116 HD22 LEU 42 HD22 LEU 42 9.590 8.321 14.319 1117 HD23 LEU 42 HD23 LEU 42 9.415 8.995 12.682 1118 H CYS 43 H CYS 43 13.635 9.261 15.828 1119 HA CYS 43 HA CYS 43 14.597 11.776 17.101 1120 HB2 CYS 43 HB1 CYS 43 13.918 9.952 18.706 1121 HB3 CYS 43 HB2 CYS 43 15.239 8.959 18.040 1122 HG CYS 43 HG CYS 43 15.978 10.011 20.320 1123 H LEU 44 H LEU 44 15.625 8.809 15.450 1124 HA LEU 44 HA LEU 44 17.827 8.095 15.450 1125 HB2 LEU 44 HB1 LEU 44 17.668 9.621 12.892 1126 HB3 LEU 44 HB2 LEU 44 18.483 8.076 13.237 1127 HG LEU 44 HG LEU 44 15.878 7.490 13.884 1128 HD11 LEU 44 HD11 LEU 44 14.473 8.358 12.042 1129 HD12 LEU 44 HD12 LEU 44 15.097 9.680 13.056 1130 HD13 LEU 44 HD13 LEU 44 15.835 9.350 11.471 1131 HD21 LEU 44 HD21 LEU 44 15.832 6.265 11.737 1132 HD22 LEU 44 HD22 LEU 44 17.211 7.231 11.159 1133 HD23 LEU 44 HD23 LEU 44 17.418 6.117 12.531 1134 H GLY 45 H GLY 45 18.390 9.454 17.268 1135 HA2 GLY 45 HA2 GLY 45 20.803 9.988 16.637 1136 H GLU 46 H GLU 46 20.014 7.926 17.364 1137 HA GLU 46 HA GLU 46 21.802 7.142 19.506 1138 HB2 GLU 46 HB1 GLU 46 19.609 6.021 20.579 1139 HB3 GLU 46 HB2 GLU 46 20.303 7.568 21.119 1140 HG2 GLU 46 HG1 GLU 46 17.851 7.586 21.048 1141 HG3 GLU 46 HG2 GLU 46 18.579 8.802 19.977 1142 H MET 47 H MET 47 18.947 6.125 17.532 1143 HA MET 47 HA MET 47 19.777 3.354 17.418 1144 HB2 MET 47 HB1 MET 47 17.861 3.130 15.900 1145 HB3 MET 47 HB2 MET 47 17.449 3.979 17.409 1146 HG2 MET 47 HG1 MET 47 17.928 6.127 15.945 1147 HG3 MET 47 HG2 MET 47 17.598 5.022 14.601 1148 HE1 MET 47 HE1 MET 47 14.033 3.903 15.093 1149 HE2 MET 47 HE2 MET 47 15.471 3.955 14.036 1150 HE3 MET 47 HE3 MET 47 15.544 3.095 15.593 1151 H LYS 48 H LYS 48 19.884 6.057 15.128 1152 HA LYS 48 HA LYS 48 22.293 5.006 13.797 1153 HB2 LYS 48 HB1 LYS 48 19.792 6.043 12.392 1154 HB3 LYS 48 HB2 LYS 48 21.317 5.565 11.608 1155 HG2 LYS 48 HG1 LYS 48 19.493 3.695 13.111 1156 HG3 LYS 48 HG2 LYS 48 19.456 3.955 11.350 1157 HD2 LYS 48 HD1 LYS 48 21.911 2.940 12.797 1158 HD3 LYS 48 HD2 LYS 48 20.634 1.862 12.182 1159 HE2 LYS 48 HE1 LYS 48 20.994 3.164 9.930 1160 HE3 LYS 48 HE2 LYS 48 22.555 3.617 10.652 1161 HZ1 LYS 48 HZ1 LYS 48 22.728 1.627 9.334 1162 HZ2 LYS 48 HZ2 LYS 48 23.036 1.285 10.918 1163 HZ3 LYS 48 HZ3 LYS 48 21.589 0.865 10.248 1164 H GLU 49 H GLU 49 23.546 6.748 13.035 1165 HA GLU 49 HA GLU 49 22.455 9.452 12.805 1166 HB2 GLU 49 HB1 GLU 49 24.284 8.561 14.950 1167 HB3 GLU 49 HB2 GLU 49 24.852 9.992 14.056 1168 HG2 GLU 49 HG1 GLU 49 22.059 9.708 15.200 1169 HG3 GLU 49 HG2 GLU 49 23.406 10.478 16.068 1170 H SER 50 H SER 50 23.999 10.941 11.855 1171 HA SER 50 HA SER 50 25.565 11.769 10.497 1172 HB2 SER 50 HB1 SER 50 27.159 10.539 11.939 1173 HB3 SER 50 HB2 SER 50 27.054 9.147 10.836 1174 HG SER 50 HG SER 50 28.856 10.502 10.392 1175 H SER 51 H SER 51 25.480 8.289 9.468 1176 HA SER 51 HA SER 51 24.797 8.913 6.734 1177 HB2 SER 51 HB1 SER 51 25.896 6.824 7.429 1178 HB3 SER 51 HB2 SER 51 24.469 6.380 8.394 1179 HG SER 51 HG SER 51 24.497 5.373 6.332 1180 H ILE 52 H ILE 52 22.990 9.690 9.347 1181 HA ILE 52 HA ILE 52 20.496 9.447 7.769 1182 HB ILE 52 HB ILE 52 19.286 10.150 9.668 1183 HG12 ILE 52 HG13 ILE 52 20.596 10.432 11.932 1184 HG13 ILE 52 HG12 ILE 52 21.900 11.008 10.865 1185 HG21 ILE 52 HG21 ILE 52 19.876 8.384 11.315 1186 HG22 ILE 52 HG22 ILE 52 20.038 7.794 9.647 1187 HG23 ILE 52 HG23 ILE 52 21.486 8.244 10.578 1188 HD11 ILE 52 HD11 ILE 52 20.570 12.901 11.749 1189 HD12 ILE 52 HD12 ILE 52 20.407 12.761 9.986 1190 HD13 ILE 52 HD13 ILE 52 19.103 12.184 11.052 1191 H ASP 53 H ASP 53 23.113 11.681 8.381 1192 HA ASP 53 HA ASP 53 21.371 14.007 8.157 1193 HB2 ASP 53 HB1 ASP 53 23.257 13.996 9.766 1194 HB3 ASP 53 HB2 ASP 53 24.389 13.985 8.395 1195 H ASP 54 H ASP 54 23.582 12.263 5.914 1196 HA ASP 54 HA ASP 54 23.688 14.188 3.860 1197 HB2 ASP 54 HB1 ASP 54 24.851 12.028 3.728 1198 HB3 ASP 54 HB2 ASP 54 23.296 11.172 3.639 1199 H LEU 55 H LEU 55 21.073 11.912 4.678 1200 HA LEU 55 HA LEU 55 19.249 12.654 2.622 1201 HB2 LEU 55 HB1 LEU 55 18.595 11.641 5.397 1202 HB3 LEU 55 HB2 LEU 55 17.629 11.467 3.912 1203 HG LEU 55 HG LEU 55 20.265 10.094 4.545 1204 HD11 LEU 55 HD11 LEU 55 18.871 8.044 4.525 1205 HD12 LEU 55 HD12 LEU 55 18.295 9.202 5.744 1206 HD13 LEU 55 HD13 LEU 55 17.426 9.030 4.200 1207 HD21 LEU 55 HD21 LEU 55 19.969 8.863 2.423 1208 HD22 LEU 55 HD22 LEU 55 18.535 9.848 2.056 1209 HD23 LEU 55 HD23 LEU 55 20.142 10.609 2.140 1210 H MET 56 H MET 56 19.580 13.817 6.027 1211 HA MET 56 HA MET 56 17.709 15.935 5.879 1212 HB2 MET 56 HB1 MET 56 20.237 15.683 7.548 1213 HB3 MET 56 HB2 MET 56 18.905 16.824 7.851 1214 HG2 MET 56 HG1 MET 56 18.478 13.833 7.762 1215 HG3 MET 56 HG2 MET 56 18.980 14.668 9.242 1216 HE1 MET 56 HE1 MET 56 15.935 16.006 10.777 1217 HE2 MET 56 HE2 MET 56 17.323 14.909 10.975 1218 HE3 MET 56 HE3 MET 56 17.579 16.578 10.410 1219 H LYS 57 H LYS 57 21.052 15.835 4.707 1220 HA LYS 57 HA LYS 57 21.239 18.643 4.069 1221 HB2 LYS 57 HB1 LYS 57 22.913 16.251 3.291 1222 HB3 LYS 57 HB2 LYS 57 23.249 17.911 2.745 1223 HG2 LYS 57 HG1 LYS 57 23.539 16.704 5.488 1224 HG3 LYS 57 HG2 LYS 57 24.684 17.702 4.560 1225 HD2 LYS 57 HD1 LYS 57 23.190 19.659 4.874 1226 HD3 LYS 57 HD2 LYS 57 22.108 18.650 5.863 1227 HE2 LYS 57 HE1 LYS 57 23.662 18.490 7.620 1228 HE3 LYS 57 HE2 LYS 57 25.023 18.973 6.585 1229 HZ1 LYS 57 HZ1 LYS 57 24.319 20.754 8.015 1230 HZ2 LYS 57 HZ2 LYS 57 24.054 21.157 6.437 1231 HZ3 LYS 57 HZ3 LYS 57 22.788 20.709 7.396 1232 H SER 58 H SER 58 20.127 15.762 2.426 1233 HA SER 58 HA SER 58 19.405 17.214 0.048 1234 HB2 SER 58 HB1 SER 58 18.615 14.477 1.036 1235 HB3 SER 58 HB2 SER 58 18.153 15.161 -0.542 1236 HG SER 58 HG SER 58 20.125 13.956 -0.637 1237 H LEU 59 H LEU 59 17.947 17.144 3.216 1238 HA LEU 59 HA LEU 59 15.605 18.560 2.156 1239 HB2 LEU 59 HB1 LEU 59 16.483 18.170 5.030 1240 HB3 LEU 59 HB2 LEU 59 14.928 18.840 4.479 1241 HG LEU 59 HG LEU 59 15.950 16.017 4.029 1242 HD11 LEU 59 HD11 LEU 59 14.093 15.343 5.522 1243 HD12 LEU 59 HD12 LEU 59 15.218 16.450 6.340 1244 HD13 LEU 59 HD13 LEU 59 13.654 17.051 5.739 1245 HD21 LEU 59 HD21 LEU 59 13.729 15.496 3.071 1246 HD22 LEU 59 HD22 LEU 59 13.269 17.203 3.228 1247 HD23 LEU 59 HD23 LEU 59 14.577 16.732 2.119 1248 H ASP 60 H ASP 60 18.536 19.407 4.013 1249 HA ASP 60 HA ASP 60 18.286 22.216 4.091 1250 HB2 ASP 60 HB1 ASP 60 20.260 20.133 4.570 1251 HB3 ASP 60 HB2 ASP 60 21.020 21.553 3.818 1252 H LYS 61 H LYS 61 18.723 20.280 1.303 1253 HA LYS 61 HA LYS 61 20.775 21.417 -0.179 1254 HB2 LYS 61 HB1 LYS 61 19.339 19.297 -0.468 1255 HB3 LYS 61 HB2 LYS 61 18.193 20.343 -1.341 1256 HG2 LYS 61 HG1 LYS 61 19.513 19.164 -2.940 1257 HG3 LYS 61 HG2 LYS 61 19.991 20.879 -2.968 1258 HD2 LYS 61 HD1 LYS 61 21.908 19.362 -3.220 1259 HD3 LYS 61 HD2 LYS 61 22.029 20.381 -1.766 1260 HE2 LYS 61 HE1 LYS 61 22.818 18.182 -1.218 1261 HE3 LYS 61 HE2 LYS 61 21.262 18.438 -0.400 1262 HZ1 LYS 61 HZ1 LYS 61 21.415 16.251 -1.353 1263 HZ2 LYS 61 HZ2 LYS 61 20.226 17.112 -2.095 1264 HZ3 LYS 61 HZ3 LYS 61 21.670 16.876 -2.856 1265 H ASN 62 H ASN 62 17.445 22.576 0.092 1266 HA ASN 62 HA ASN 62 18.354 25.227 -0.764 1267 HB2 ASN 62 HB1 ASN 62 15.648 24.543 -1.764 1268 HB3 ASN 62 HB2 ASN 62 16.886 25.625 -2.441 1269 HD21 ASN 62 HD21 ASN 62 15.782 22.230 -2.306 1270 HD22 ASN 62 HD22 ASN 62 16.612 21.734 -3.774 1271 H SER 63 H SER 63 15.549 23.257 0.396 1272 HA SER 63 HA SER 63 14.730 23.078 2.468 1273 HB2 SER 63 HB1 SER 63 15.721 23.989 4.347 1274 HB3 SER 63 HB2 SER 63 17.048 23.921 3.161 1275 HG SER 63 HG SER 63 16.989 25.901 4.319 1276 H ASP 64 H ASP 64 14.557 26.240 0.982 1277 HA ASP 64 HA ASP 64 12.366 27.171 2.728 1278 HB2 ASP 64 HB1 ASP 64 14.160 28.549 0.705 1279 HB3 ASP 64 HB2 ASP 64 12.800 29.351 1.522 1280 H GLN 65 H GLN 65 11.377 25.206 1.549 1281 HA GLN 65 HA GLN 65 9.815 25.984 -0.830 1282 HB2 GLN 65 HB1 GLN 65 10.851 23.283 -1.100 1283 HB3 GLN 65 HB2 GLN 65 10.900 24.628 -2.265 1284 HG2 GLN 65 HG1 GLN 65 13.009 25.389 -1.386 1285 HG3 GLN 65 HG2 GLN 65 12.938 24.203 -0.064 1286 HE21 GLN 65 HE12 GLN 65 12.844 24.235 -3.709 1287 HE22 GLN 65 HE22 GLN 65 13.914 22.862 -3.869 1288 H GLU 66 H GLU 66 7.811 24.760 -0.900 1289 HA GLU 66 HA GLU 66 7.156 23.069 1.333 1290 HB2 GLU 66 HB1 GLU 66 5.784 23.577 -1.314 1291 HB3 GLU 66 HB2 GLU 66 5.160 22.417 -0.117 1292 HG2 GLU 66 HG1 GLU 66 4.915 24.197 1.536 1293 HG3 GLU 66 HG2 GLU 66 5.653 25.371 0.426 1294 H ILE 67 H ILE 67 6.439 20.847 1.149 1295 HA ILE 67 HA ILE 67 7.726 19.157 -0.893 1296 HB ILE 67 HB ILE 67 8.877 19.532 1.576 1297 HG12 ILE 67 HG13 ILE 67 8.955 17.204 -0.358 1298 HG13 ILE 67 HG12 ILE 67 9.966 18.669 -0.369 1299 HG21 ILE 67 HG21 ILE 67 8.639 17.448 2.875 1300 HG22 ILE 67 HG22 ILE 67 7.113 18.353 2.800 1301 HG23 ILE 67 HG23 ILE 67 7.350 16.916 1.777 1302 HD11 ILE 67 HD11 ILE 67 11.242 16.716 0.456 1303 HD12 ILE 67 HD12 ILE 67 11.046 17.944 1.723 1304 HD13 ILE 67 HD13 ILE 67 10.035 16.478 1.736 1305 H ASP 68 H ASP 68 6.829 17.072 -1.079 1306 HA ASP 68 HA ASP 68 4.011 16.839 -0.180 1307 HB2 ASP 68 HB1 ASP 68 4.347 16.879 -2.605 1308 HB3 ASP 68 HB2 ASP 68 5.547 15.573 -2.489 1309 H PHE 69 H PHE 69 3.205 14.930 0.569 1310 HA PHE 69 HA PHE 69 4.363 13.254 2.351 1311 HB2 PHE 69 HB1 PHE 69 2.085 13.084 0.427 1312 HB3 PHE 69 HB2 PHE 69 2.571 11.574 1.215 1313 HD1 PHE 69 HD2 PHE 69 2.522 11.397 3.706 1314 HD2 PHE 69 HD1 PHE 69 0.832 14.756 1.601 1315 HE1 PHE 69 HE2 PHE 69 1.122 11.927 5.689 1316 HE2 PHE 69 HE1 PHE 69 -0.617 15.238 3.559 1317 HZ PHE 69 HZ PHE 69 -0.479 13.832 5.593 1318 H LYS 70 H LYS 70 4.774 12.881 -1.188 1319 HA LYS 70 HA LYS 70 5.631 10.138 -1.106 1320 HB2 LYS 70 HB1 LYS 70 5.902 12.432 -3.069 1321 HB3 LYS 70 HB2 LYS 70 6.579 10.818 -3.391 1322 HG2 LYS 70 HG1 LYS 70 4.446 9.794 -3.414 1323 HG3 LYS 70 HG2 LYS 70 3.678 11.172 -2.588 1324 HD2 LYS 70 HD1 LYS 70 2.925 11.310 -4.811 1325 HD3 LYS 70 HD2 LYS 70 4.219 12.526 -4.695 1326 HE2 LYS 70 HE1 LYS 70 5.787 11.000 -5.792 1327 HE3 LYS 70 HE2 LYS 70 4.549 9.729 -5.845 1328 HZ1 LYS 70 HZ1 LYS 70 4.707 10.900 -7.924 1329 HZ2 LYS 70 HZ2 LYS 70 3.229 11.162 -7.241 1330 HZ3 LYS 70 HZ3 LYS 70 4.378 12.341 -7.193 1331 H GLU 71 H GLU 71 7.443 13.286 -1.239 1332 HA GLU 71 HA GLU 71 10.037 12.188 -1.069 1333 HB2 GLU 71 HB1 GLU 71 8.986 14.772 0.136 1334 HB3 GLU 71 HB2 GLU 71 10.705 14.334 -0.002 1335 HG2 GLU 71 HG1 GLU 71 9.797 13.997 -2.587 1336 HG3 GLU 71 HG2 GLU 71 8.847 15.391 -2.028 1337 H TYR 72 H TYR 72 7.610 12.878 1.413 1338 HA TYR 72 HA TYR 72 9.249 12.318 3.704 1339 HB2 TYR 72 HB1 TYR 72 7.378 13.701 3.936 1340 HB3 TYR 72 HB2 TYR 72 6.310 12.554 3.110 1341 HD1 TYR 72 HD2 TYR 72 8.588 11.981 6.067 1342 HD2 TYR 72 HD1 TYR 72 4.565 12.129 4.540 1343 HE1 TYR 72 HE2 TYR 72 7.703 11.464 8.332 1344 HE2 TYR 72 HE1 TYR 72 3.673 11.614 6.801 1345 HH TYR 72 HH TYR 72 5.857 11.295 9.649 1346 H SER 73 H SER 73 6.912 10.297 1.896 1347 HA SER 73 HA SER 73 7.213 7.893 3.354 1348 HB2 SER 73 HB1 SER 73 5.369 8.411 1.806 1349 HB3 SER 73 HB2 SER 73 6.506 8.393 0.436 1350 HG SER 73 HG SER 73 5.371 6.415 0.675 1351 H VAL 74 H VAL 74 9.006 9.001 0.363 1352 HA VAL 74 HA VAL 74 10.511 6.542 0.315 1353 HB VAL 74 HB VAL 74 11.928 7.470 -1.371 1354 HG11 VAL 74 HG11 VAL 74 10.240 7.840 -3.129 1355 HG12 VAL 74 HG12 VAL 74 9.763 6.538 -2.021 1356 HG13 VAL 74 HG13 VAL 74 9.015 8.147 -1.879 1357 HG21 VAL 74 HG21 VAL 74 11.676 9.718 -2.334 1358 HG22 VAL 74 HG22 VAL 74 10.505 10.118 -1.062 1359 HG23 VAL 74 HG23 VAL 74 12.199 9.773 -0.640 1360 H PHE 75 H PHE 75 11.100 9.749 1.801 1361 HA PHE 75 HA PHE 75 13.826 9.266 2.531 1362 HB2 PHE 75 HB1 PHE 75 12.501 11.436 2.536 1363 HB3 PHE 75 HB2 PHE 75 11.752 10.878 4.041 1364 HD1 PHE 75 HD2 PHE 75 13.555 10.189 5.974 1365 HD2 PHE 75 HD1 PHE 75 14.279 12.814 2.636 1366 HE1 PHE 75 HE2 PHE 75 15.433 11.250 7.211 1367 HE2 PHE 75 HE1 PHE 75 16.094 13.916 3.908 1368 HZ PHE 75 HZ PHE 75 16.650 13.177 6.209 1369 H LEU 76 H LEU 76 10.748 8.780 4.381 1370 HA LEU 76 HA LEU 76 11.875 7.571 6.659 1371 HB2 LEU 76 HB1 LEU 76 9.201 7.276 5.288 1372 HB3 LEU 76 HB2 LEU 76 9.602 6.381 6.774 1373 HG LEU 76 HG LEU 76 9.490 9.404 6.503 1374 HD11 LEU 76 HD11 LEU 76 7.418 9.156 7.848 1375 HD12 LEU 76 HD12 LEU 76 7.290 8.275 6.305 1376 HD13 LEU 76 HD13 LEU 76 7.608 7.386 7.815 1377 HD21 LEU 76 HD21 LEU 76 9.645 9.423 8.974 1378 HD22 LEU 76 HD22 LEU 76 9.842 7.657 8.973 1379 HD23 LEU 76 HD23 LEU 76 11.092 8.694 8.245 1380 H THR 77 H THR 77 10.782 6.044 3.566 1381 HA THR 77 HA THR 77 11.344 3.368 4.441 1382 HB THR 77 HB THR 77 10.933 4.553 1.678 1383 HG1 THR 77 HG1 THR 77 8.850 3.663 2.100 1384 HG21 THR 77 HG21 THR 77 10.372 2.226 1.025 1385 HG22 THR 77 HG22 THR 77 12.061 2.342 1.570 1386 HG23 THR 77 HG23 THR 77 10.821 1.664 2.653 1387 H MET 78 H MET 78 13.178 5.644 2.387 1388 HA MET 78 HA MET 78 15.440 4.104 1.770 1389 HB2 MET 78 HB1 MET 78 14.971 6.223 0.739 1390 HB3 MET 78 HB2 MET 78 15.040 7.062 2.308 1391 HG2 MET 78 HG1 MET 78 17.376 6.926 2.407 1392 HG3 MET 78 HG2 MET 78 17.451 5.667 1.164 1393 HE1 MET 78 HE1 MET 78 16.199 10.041 0.129 1394 HE2 MET 78 HE2 MET 78 15.113 8.829 0.843 1395 HE3 MET 78 HE3 MET 78 16.465 9.487 1.797 1396 H LEU 79 H LEU 79 14.813 6.144 4.646 1397 HA LEU 79 HA LEU 79 17.333 5.482 5.892 1398 HB2 LEU 79 HB1 LEU 79 16.175 7.612 6.164 1399 HB3 LEU 79 HB2 LEU 79 14.809 6.777 6.943 1400 HG LEU 79 HG LEU 79 16.061 6.301 8.879 1401 HD11 LEU 79 HD11 LEU 79 18.471 6.784 9.185 1402 HD12 LEU 79 HD12 LEU 79 18.206 5.595 7.893 1403 HD13 LEU 79 HD13 LEU 79 18.579 7.287 7.485 1404 HD21 LEU 79 HD21 LEU 79 16.774 8.569 9.595 1405 HD22 LEU 79 HD22 LEU 79 16.834 9.084 7.892 1406 HD23 LEU 79 HD23 LEU 79 15.278 8.638 8.633 1407 H CYS 80 H CYS 80 13.958 4.226 6.310 1408 HA CYS 80 HA CYS 80 14.606 2.514 8.495 1409 HB2 CYS 80 HB1 CYS 80 12.316 3.294 7.730 1410 HB3 CYS 80 HB2 CYS 80 12.420 2.080 6.431 1411 HG CYS 80 HG CYS 80 10.933 1.167 8.383 1412 H MET 81 H MET 81 15.004 1.990 4.952 1413 HA MET 81 HA MET 81 15.601 -0.801 5.320 1414 HB2 MET 81 HB1 MET 81 16.169 -0.897 3.034 1415 HB3 MET 81 HB2 MET 81 14.715 0.107 3.233 1416 HG2 MET 81 HG1 MET 81 15.858 2.083 2.707 1417 HG3 MET 81 HG2 MET 81 17.446 1.355 2.993 1418 HE1 MET 81 HE1 MET 81 17.819 -1.043 -0.067 1419 HE2 MET 81 HE2 MET 81 18.548 -0.447 1.445 1420 HE3 MET 81 HE3 MET 81 17.063 -1.426 1.499 1421 H ALA 82 H ALA 82 17.475 1.993 5.983 1422 HA ALA 82 HA ALA 82 20.033 0.647 5.870 1423 HB1 ALA 82 HB1 ALA 82 20.866 2.695 6.965 1424 HB2 ALA 82 HB2 ALA 82 19.831 3.073 5.569 1425 HB3 ALA 82 HB3 ALA 82 19.192 3.237 7.222 1426 H TYR 83 H TYR 83 17.454 0.213 7.969 1427 HA TYR 83 HA TYR 83 18.970 -1.496 9.703 1428 HB2 TYR 83 HB1 TYR 83 18.543 -0.424 11.820 1429 HB3 TYR 83 HB2 TYR 83 19.461 0.669 10.773 1430 HD1 TYR 83 HD1 TYR 83 18.263 2.665 9.708 1431 HD2 TYR 83 HD2 TYR 83 16.494 0.237 12.784 1432 HE1 TYR 83 HE1 TYR 83 16.470 4.358 10.016 1433 HE2 TYR 83 HE2 TYR 83 14.560 1.785 12.910 1434 HH TYR 83 HH TYR 83 13.656 3.768 12.180 1435 H ASN 84 H ASN 84 17.591 -3.232 9.346 1436 HA ASN 84 HA ASN 84 15.176 -3.250 10.813 1437 HB2 ASN 84 HB1 ASN 84 13.570 -3.843 9.010 1438 HB3 ASN 84 HB2 ASN 84 14.025 -2.135 9.195 1439 HD21 ASN 84 HD21 ASN 84 12.906 -2.068 7.079 1440 HD22 ASN 84 HD22 ASN 84 13.860 -2.355 5.637 1441 H ASP 85 H ASP 85 17.162 -4.622 11.330 1442 HA ASP 85 HA ASP 85 17.488 -7.197 10.193 1443 HB2 ASP 85 HB1 ASP 85 18.738 -7.608 12.329 1444 HB3 ASP 85 HB2 ASP 85 19.228 -6.135 11.464 1445 H PHE 86 H PHE 86 15.031 -6.019 12.350 1446 HA PHE 86 HA PHE 86 14.509 -8.282 13.940 1447 HB2 PHE 86 HB1 PHE 86 13.045 -5.793 13.131 1448 HB3 PHE 86 HB2 PHE 86 12.147 -7.061 13.980 1449 HD1 PHE 86 HD2 PHE 86 15.413 -5.167 14.326 1450 HD2 PHE 86 HD1 PHE 86 12.002 -6.929 16.281 1451 HE1 PHE 86 HE2 PHE 86 16.226 -4.323 16.514 1452 HE2 PHE 86 HE1 PHE 86 12.807 -6.063 18.464 1453 HZ PHE 86 HZ PHE 86 14.918 -4.756 18.583 1454 H PHE 87 H PHE 87 13.812 -7.983 10.553 1455 HA PHE 87 HA PHE 87 12.235 -10.480 10.782 1456 HB2 PHE 87 HB1 PHE 87 10.774 -9.893 9.072 1457 HB3 PHE 87 HB2 PHE 87 10.879 -8.475 10.128 1458 HD1 PHE 87 HD2 PHE 87 12.283 -6.464 9.354 1459 HD2 PHE 87 HD1 PHE 87 11.203 -9.740 6.772 1460 HE1 PHE 87 HE2 PHE 87 12.813 -5.081 7.360 1461 HE2 PHE 87 HE1 PHE 87 11.656 -8.320 4.789 1462 HZ PHE 87 HZ PHE 87 12.549 -6.023 5.079 1463 H LEU 88 H LEU 88 15.193 -9.667 10.170 1464 HA LEU 88 HA LEU 88 15.608 -11.048 7.593 1465 HB2 LEU 88 HB1 LEU 88 17.219 -9.147 9.274 1466 HB3 LEU 88 HB2 LEU 88 17.998 -10.150 8.026 1467 HG LEU 88 HG LEU 88 17.127 -7.655 7.608 1468 HD11 LEU 88 HD11 LEU 88 17.211 -8.177 5.182 1469 HD12 LEU 88 HD12 LEU 88 18.479 -9.041 6.077 1470 HD13 LEU 88 HD13 LEU 88 17.012 -9.903 5.554 1471 HD21 LEU 88 HD21 LEU 88 15.064 -7.604 6.247 1472 HD22 LEU 88 HD22 LEU 88 14.785 -9.313 6.627 1473 HD23 LEU 88 HD23 LEU 88 14.735 -8.091 7.921 1474 H GLU 89 H GLU 89 18.365 -11.352 9.332 1475 HA GLU 89 HA GLU 89 18.410 -13.736 10.721 1476 HB2 GLU 89 HB1 GLU 89 17.793 -14.172 7.883 1477 HB3 GLU 89 HB2 GLU 89 19.293 -14.987 8.390 1478 HG2 GLU 89 HG1 GLU 89 18.174 -16.298 10.009 1479 HG3 GLU 89 HG2 GLU 89 16.747 -15.239 10.012 1480 H ASP 90 H ASP 90 19.781 -11.925 8.008 1481 HA ASP 90 HA ASP 90 22.168 -11.214 9.489 1482 HB2 ASP 90 HB1 ASP 90 22.919 -13.339 8.521 1483 HB3 ASP 90 HB2 ASP 90 22.385 -12.819 6.907 1484 H ASN 91 H ASN 91 23.402 -9.585 8.215 1485 HA ASN 91 HA ASN 91 23.889 -8.242 6.421 1486 HB2 ASN 91 HB1 ASN 91 20.953 -8.151 5.757 1487 HB3 ASN 91 HB2 ASN 91 22.188 -7.112 5.014 1488 HD21 ASN 91 HD21 ASN 91 23.481 -10.256 5.531 1489 HD22 ASN 91 HD22 ASN 91 23.235 -10.856 3.894 1490 H LYS 92 H LYS 92 20.787 -6.731 7.252 1491 HA LYS 92 HA LYS 92 21.635 -5.192 9.490 1492 HB2 LYS 92 HB1 LYS 92 22.084 -3.117 8.642 1493 HB3 LYS 92 HB2 LYS 92 22.919 -4.200 7.502 1494 HG2 LYS 92 HG1 LYS 92 20.434 -2.572 7.088 1495 HG3 LYS 92 HG2 LYS 92 22.012 -2.429 6.279 1496 HD2 LYS 92 HD1 LYS 92 20.724 -3.217 4.603 1497 HD3 LYS 92 HD2 LYS 92 21.402 -4.729 5.256 1498 HE2 LYS 92 HE1 LYS 92 18.919 -4.673 4.558 1499 HE3 LYS 92 HE2 LYS 92 19.356 -5.436 6.104 1500 HZ1 LYS 92 HZ1 LYS 92 17.433 -4.031 6.318 1501 HZ2 LYS 92 HZ2 LYS 92 18.678 -3.429 7.212 1502 HZ3 LYS 92 HZ3 LYS 92 18.274 -2.721 5.779 Start of MODEL 4 1 HA MET 1 HA MET 1 12.882 3.148 22.104 2 HB2 MET 1 HB1 MET 1 12.897 5.688 22.070 3 HB3 MET 1 HB2 MET 1 11.154 5.603 21.719 4 HG2 MET 1 HG1 MET 1 10.805 4.318 23.802 5 HG3 MET 1 HG2 MET 1 12.539 4.420 24.153 6 HE1 MET 1 HE1 MET 1 9.339 7.703 24.674 7 HE2 MET 1 HE2 MET 1 9.513 6.833 23.134 8 HE3 MET 1 HE3 MET 1 9.091 5.943 24.617 9 H GLU 2 H GLU 2 9.624 3.709 22.612 10 HA GLU 2 HA GLU 2 9.015 3.225 19.734 11 HB2 GLU 2 HB1 GLU 2 8.030 1.338 20.934 12 HB3 GLU 2 HB2 GLU 2 7.206 2.449 22.053 13 HG2 GLU 2 HG1 GLU 2 5.780 3.289 20.360 14 HG3 GLU 2 HG2 GLU 2 6.817 2.671 19.056 15 H THR 3 H THR 3 8.113 4.931 18.792 16 HA THR 3 HA THR 3 6.327 6.778 20.306 17 HB THR 3 HB THR 3 7.053 8.622 18.994 18 HG1 THR 3 HG1 THR 3 8.610 8.329 17.339 19 HG21 THR 3 HG21 THR 3 9.470 8.864 19.471 20 HG22 THR 3 HG22 THR 3 8.602 8.159 20.850 21 HG23 THR 3 HG23 THR 3 9.575 7.119 19.782 22 HA PRO 4 HA PRO 4 3.304 5.345 17.529 23 HB2 PRO 4 HB1 PRO 4 1.989 7.547 16.437 24 HB3 PRO 4 HB2 PRO 4 1.754 6.900 18.092 25 HG2 PRO 4 HG1 PRO 4 3.550 9.169 17.230 26 HG3 PRO 4 HG2 PRO 4 2.397 9.137 18.605 27 HD2 PRO 4 HD1 PRO 4 5.029 8.684 19.018 28 HD3 PRO 4 HD2 PRO 4 3.820 7.652 19.840 29 H LEU 5 H LEU 5 5.324 7.889 15.794 30 HA LEU 5 HA LEU 5 4.667 6.685 13.247 31 HB2 LEU 5 HB1 LEU 5 5.455 9.046 13.477 32 HB3 LEU 5 HB2 LEU 5 7.077 8.423 13.866 33 HG LEU 5 HG LEU 5 6.734 7.016 11.674 34 HD11 LEU 5 HD11 LEU 5 5.424 8.110 9.903 35 HD12 LEU 5 HD12 LEU 5 4.408 7.614 11.273 36 HD13 LEU 5 HD13 LEU 5 4.865 9.323 11.074 37 HD21 LEU 5 HD21 LEU 5 7.851 8.702 10.296 38 HD22 LEU 5 HD22 LEU 5 7.415 9.949 11.481 39 HD23 LEU 5 HD23 LEU 5 8.518 8.630 11.940 40 H GLU 6 H GLU 6 7.565 6.391 15.387 41 HA GLU 6 HA GLU 6 8.944 4.365 14.016 42 HB2 GLU 6 HB1 GLU 6 9.623 5.661 16.031 43 HB3 GLU 6 HB2 GLU 6 8.493 4.687 17.001 44 HG2 GLU 6 HG1 GLU 6 9.814 2.711 16.683 45 HG3 GLU 6 HG2 GLU 6 10.862 3.536 15.507 46 H LYS 7 H LYS 7 5.932 4.179 15.853 47 HA LYS 7 HA LYS 7 5.638 1.294 15.800 48 HB2 LYS 7 HB1 LYS 7 4.577 2.046 17.611 49 HB3 LYS 7 HB2 LYS 7 4.509 3.709 16.980 50 HG2 LYS 7 HG1 LYS 7 2.296 3.132 17.451 51 HG3 LYS 7 HG2 LYS 7 2.442 2.957 15.686 52 HD2 LYS 7 HD1 LYS 7 1.383 0.977 16.263 53 HD3 LYS 7 HD2 LYS 7 3.095 0.486 16.267 54 HE2 LYS 7 HE1 LYS 7 2.261 1.544 18.863 55 HE3 LYS 7 HE2 LYS 7 1.245 0.177 18.356 56 HZ1 LYS 7 HZ1 LYS 7 3.131 -0.540 19.627 57 HZ2 LYS 7 HZ2 LYS 7 3.229 -1.116 18.088 58 HZ3 LYS 7 HZ3 LYS 7 4.173 0.152 18.557 59 H ALA 8 H ALA 8 4.510 4.019 13.781 60 HA ALA 8 HA ALA 8 2.602 2.605 12.218 61 HB1 ALA 8 HB1 ALA 8 2.818 4.535 10.690 62 HB2 ALA 8 HB2 ALA 8 2.698 5.064 12.385 63 HB3 ALA 8 HB3 ALA 8 4.278 5.064 11.562 64 H LEU 9 H LEU 9 6.063 3.437 11.501 65 HA LEU 9 HA LEU 9 6.250 1.947 9.098 66 HB2 LEU 9 HB1 LEU 9 8.185 2.975 11.149 67 HB3 LEU 9 HB2 LEU 9 8.765 1.869 9.880 68 HG LEU 9 HG LEU 9 9.122 4.313 9.461 69 HD11 LEU 9 HD11 LEU 9 8.526 4.201 7.060 70 HD12 LEU 9 HD12 LEU 9 9.184 2.658 7.643 71 HD13 LEU 9 HD13 LEU 9 7.431 2.845 7.404 72 HD21 LEU 9 HD21 LEU 9 7.273 5.703 8.591 73 HD22 LEU 9 HD22 LEU 9 6.128 4.403 8.974 74 HD23 LEU 9 HD23 LEU 9 7.004 5.235 10.281 75 H THR 10 H THR 10 6.838 0.961 12.501 76 HA THR 10 HA THR 10 7.570 -1.729 12.104 77 HB THR 10 HB THR 10 6.043 -0.411 14.378 78 HG1 THR 10 HG1 THR 10 8.185 -0.432 15.219 79 HG21 THR 10 HG21 THR 10 6.869 -2.304 15.756 80 HG22 THR 10 HG22 THR 10 5.788 -2.880 14.466 81 HG23 THR 10 HG23 THR 10 7.552 -3.062 14.300 82 H THR 11 H THR 11 4.288 -0.324 12.467 83 HA THR 11 HA THR 11 2.804 -2.734 12.190 84 HB THR 11 HB THR 11 2.041 0.114 11.463 85 HG1 THR 11 HG1 THR 11 1.183 0.030 13.601 86 HG21 THR 11 HG21 THR 11 -0.291 -0.612 11.890 87 HG22 THR 11 HG22 THR 11 0.432 -1.523 10.547 88 HG23 THR 11 HG23 THR 11 0.283 -2.273 12.156 89 H MET 12 H MET 12 3.816 -0.301 9.735 90 HA MET 12 HA MET 12 2.704 -1.545 7.475 91 HB2 MET 12 HB1 MET 12 5.190 0.179 7.730 92 HB3 MET 12 HB2 MET 12 4.470 -0.311 6.178 93 HG2 MET 12 HG1 MET 12 2.436 0.881 6.673 94 HG3 MET 12 HG2 MET 12 2.979 1.224 8.325 95 HE1 MET 12 HE1 MET 12 3.211 4.048 4.947 96 HE2 MET 12 HE2 MET 12 2.881 2.326 4.648 97 HE3 MET 12 HE3 MET 12 1.898 3.230 5.827 98 H VAL 13 H VAL 13 6.056 -1.985 8.822 99 HA VAL 13 HA VAL 13 6.738 -3.937 6.839 100 HB VAL 13 HB VAL 13 8.672 -4.544 8.166 101 HG11 VAL 13 HG11 VAL 13 9.862 -2.377 8.102 102 HG12 VAL 13 HG12 VAL 13 8.821 -2.599 6.680 103 HG13 VAL 13 HG13 VAL 13 8.301 -1.534 8.008 104 HG21 VAL 13 HG21 VAL 13 9.258 -3.406 10.272 105 HG22 VAL 13 HG22 VAL 13 7.678 -2.599 10.265 106 HG23 VAL 13 HG23 VAL 13 7.777 -4.370 10.432 107 H THR 14 H THR 14 5.224 -4.251 10.055 108 HA THR 14 HA THR 14 5.287 -7.090 10.223 109 HB THR 14 HB THR 14 3.182 -5.166 11.270 110 HG1 THR 14 HG1 THR 14 4.479 -5.402 13.157 111 HG21 THR 14 HG21 THR 14 2.741 -6.937 12.955 112 HG22 THR 14 HG22 THR 14 2.409 -7.525 11.311 113 HG23 THR 14 HG23 THR 14 3.912 -7.997 12.140 114 H THR 15 H THR 15 2.747 -4.899 8.863 115 HA THR 15 HA THR 15 1.154 -6.966 7.777 116 HB THR 15 HB THR 15 0.331 -5.130 6.196 117 HG1 THR 15 HG1 THR 15 0.883 -3.030 6.928 118 HG21 THR 15 HG21 THR 15 -0.888 -4.045 8.062 119 HG22 THR 15 HG22 THR 15 -0.769 -5.802 8.310 120 HG23 THR 15 HG23 THR 15 0.299 -4.701 9.214 121 H PHE 16 H PHE 16 3.933 -5.224 6.304 122 HA PHE 16 HA PHE 16 3.641 -6.378 3.711 123 HB2 PHE 16 HB1 PHE 16 4.981 -4.361 4.381 124 HB3 PHE 16 HB2 PHE 16 6.171 -5.456 5.106 125 HD1 PHE 16 HD1 PHE 16 4.740 -4.189 1.937 126 HD2 PHE 16 HD2 PHE 16 7.701 -6.762 3.714 127 HE1 PHE 16 HE1 PHE 16 6.015 -4.197 -0.197 128 HE2 PHE 16 HE2 PHE 16 8.889 -6.884 1.543 129 HZ PHE 16 HZ PHE 16 8.098 -5.544 -0.398 130 H HIS 17 H HIS 17 5.188 -7.634 6.693 131 HA HIS 17 HA HIS 17 6.689 -9.667 5.346 132 HB2 HIS 17 HB1 HIS 17 7.068 -8.642 7.667 133 HB3 HIS 17 HB2 HIS 17 5.835 -9.782 8.236 134 HD1 HIS 17 HD1 HIS 17 6.670 -12.437 6.835 135 HD2 HIS 17 HD2 HIS 17 9.379 -9.607 8.342 136 HE1 HIS 17 HE1 HIS 17 8.881 -13.661 7.174 137 HE2 HIS 17 HE2 HIS 17 10.553 -11.955 8.107 138 H LYS 18 H LYS 18 3.301 -9.572 6.398 139 HA LYS 18 HA LYS 18 2.740 -12.341 6.395 140 HB2 LYS 18 HB1 LYS 18 1.112 -9.944 5.486 141 HB3 LYS 18 HB2 LYS 18 0.442 -11.584 5.673 142 HG2 LYS 18 HG1 LYS 18 0.785 -11.511 8.072 143 HG3 LYS 18 HG2 LYS 18 1.651 -9.959 7.945 144 HD2 LYS 18 HD1 LYS 18 -0.318 -8.826 7.143 145 HD3 LYS 18 HD2 LYS 18 -1.183 -10.363 6.910 146 HE2 LYS 18 HE1 LYS 18 -1.203 -10.706 9.367 147 HE3 LYS 18 HE2 LYS 18 -0.375 -9.150 9.582 148 HZ1 LYS 18 HZ1 LYS 18 -2.746 -8.936 9.819 149 HZ2 LYS 18 HZ2 LYS 18 -2.234 -8.085 8.501 150 HZ3 LYS 18 HZ3 LYS 18 -3.002 -9.530 8.301 151 H TYR 19 H TYR 19 3.378 -10.173 3.685 152 HA TYR 19 HA TYR 19 2.309 -12.137 1.711 153 HB2 TYR 19 HB1 TYR 19 2.467 -9.102 1.564 154 HB3 TYR 19 HB2 TYR 19 1.794 -10.166 0.318 155 HD1 TYR 19 HD2 TYR 19 -0.399 -11.352 0.728 156 HD2 TYR 19 HD1 TYR 19 1.232 -8.497 3.496 157 HE1 TYR 19 HE2 TYR 19 -2.626 -11.131 1.814 158 HE2 TYR 19 HE1 TYR 19 -0.982 -8.258 4.579 159 HH TYR 19 HH TYR 19 -3.813 -10.214 3.578 160 H SER 20 H SER 20 5.113 -10.139 2.545 161 HA SER 20 HA SER 20 6.568 -10.908 0.125 162 HB2 SER 20 HB1 SER 20 8.538 -9.964 1.402 163 HB3 SER 20 HB2 SER 20 7.201 -8.830 1.090 164 HG SER 20 HG SER 20 7.993 -8.700 3.247 165 H GLY 21 H GLY 21 7.012 -11.709 3.620 166 HA2 GLY 21 HA2 GLY 21 8.319 -13.754 2.568 167 H ARG 22 H ARG 22 6.096 -14.271 2.248 168 HA ARG 22 HA ARG 22 6.138 -17.118 2.954 169 HB2 ARG 22 HB1 ARG 22 4.338 -17.176 1.159 170 HB3 ARG 22 HB2 ARG 22 3.981 -16.226 2.622 171 HG2 ARG 22 HG1 ARG 22 4.530 -14.145 1.389 172 HG3 ARG 22 HG2 ARG 22 4.844 -15.105 -0.076 173 HD2 ARG 22 HD1 ARG 22 2.598 -14.172 -0.199 174 HD3 ARG 22 HD2 ARG 22 2.483 -15.932 0.015 175 HE ARG 22 HE ARG 22 2.471 -14.384 2.499 176 HH11 ARG 22 HH12 ARG 22 0.277 -15.434 -0.036 177 HH12 ARG 22 HH11 ARG 22 -1.061 -15.618 1.071 178 HH21 ARG 22 HH22 ARG 22 0.808 -14.776 3.896 179 HH22 ARG 22 HH21 ARG 22 -0.762 -15.247 3.280 180 H GLU 23 H GLU 23 7.159 -14.968 0.362 181 HA GLU 23 HA GLU 23 8.488 -17.117 -1.162 182 HB2 GLU 23 HB1 GLU 23 8.508 -14.123 -1.677 183 HB3 GLU 23 HB2 GLU 23 8.913 -15.432 -2.812 184 HG2 GLU 23 HG1 GLU 23 6.197 -14.524 -1.856 185 HG3 GLU 23 HG2 GLU 23 6.812 -14.654 -3.517 186 H GLY 24 H GLY 24 10.790 -16.207 -1.978 187 HA2 GLY 24 HA2 GLY 24 11.877 -15.626 0.364 188 H SER 25 H SER 25 11.065 -13.760 0.454 189 HA SER 25 HA SER 25 13.380 -12.021 0.736 190 HB2 SER 25 HB1 SER 25 12.746 -11.682 -1.648 191 HB3 SER 25 HB2 SER 25 11.129 -11.162 -1.115 192 HG SER 25 HG SER 25 12.559 -9.394 -1.474 193 H LYS 26 H LYS 26 13.083 -10.367 2.241 194 HA LYS 26 HA LYS 26 10.386 -10.198 3.500 195 HB2 LYS 26 HB1 LYS 26 13.146 -9.782 4.689 196 HB3 LYS 26 HB2 LYS 26 11.609 -9.571 5.561 197 HG2 LYS 26 HG1 LYS 26 11.079 -11.976 5.125 198 HG3 LYS 26 HG2 LYS 26 12.680 -12.160 4.369 199 HD2 LYS 26 HD1 LYS 26 12.230 -11.258 7.234 200 HD3 LYS 26 HD2 LYS 26 12.550 -12.942 6.754 201 HE2 LYS 26 HE1 LYS 26 14.466 -10.722 6.046 202 HE3 LYS 26 HE2 LYS 26 14.503 -11.497 7.645 203 HZ1 LYS 26 HZ1 LYS 26 16.057 -12.499 6.135 204 HZ2 LYS 26 HZ2 LYS 26 14.890 -13.581 6.555 205 HZ3 LYS 26 HZ3 LYS 26 14.856 -12.862 5.070 206 H LEU 27 H LEU 27 12.440 -8.445 1.495 207 HA LEU 27 HA LEU 27 11.093 -5.890 2.200 208 HB2 LEU 27 HB1 LEU 27 13.806 -6.439 0.985 209 HB3 LEU 27 HB2 LEU 27 13.012 -4.851 0.848 210 HG LEU 27 HG LEU 27 13.876 -6.236 3.407 211 HD11 LEU 27 HD11 LEU 27 15.463 -4.330 3.540 212 HD12 LEU 27 HD12 LEU 27 15.704 -5.261 2.043 213 HD13 LEU 27 HD13 LEU 27 14.838 -3.706 1.996 214 HD21 LEU 27 HD21 LEU 27 13.213 -4.150 4.575 215 HD22 LEU 27 HD22 LEU 27 12.572 -3.505 3.049 216 HD23 LEU 27 HD23 LEU 27 11.814 -4.928 3.802 217 H THR 28 H THR 28 11.277 -8.329 -0.254 218 HA THR 28 HA THR 28 9.717 -6.535 -2.021 219 HB THR 28 HB THR 28 10.569 -7.723 -4.003 220 HG1 THR 28 HG1 THR 28 12.475 -8.971 -3.709 221 HG21 THR 28 HG21 THR 28 12.818 -6.686 -4.084 222 HG22 THR 28 HG22 THR 28 11.624 -5.590 -3.361 223 HG23 THR 28 HG23 THR 28 12.771 -6.470 -2.323 224 H LEU 29 H LEU 29 8.286 -7.683 -3.572 225 HA LEU 29 HA LEU 29 7.503 -10.422 -3.175 226 HB2 LEU 29 HB1 LEU 29 5.407 -10.239 -2.199 227 HB3 LEU 29 HB2 LEU 29 6.431 -9.161 -1.219 228 HG LEU 29 HG LEU 29 4.435 -8.294 -3.333 229 HD11 LEU 29 HD11 LEU 29 3.141 -7.457 -1.386 230 HD12 LEU 29 HD12 LEU 29 3.401 -9.214 -1.278 231 HD13 LEU 29 HD13 LEU 29 4.380 -8.105 -0.286 232 HD21 LEU 29 HD21 LEU 29 4.816 -5.995 -2.499 233 HD22 LEU 29 HD22 LEU 29 6.074 -6.608 -1.403 234 HD23 LEU 29 HD23 LEU 29 6.307 -6.697 -3.164 235 H SER 30 H SER 30 5.560 -11.024 -4.626 236 HA SER 30 HA SER 30 5.855 -9.940 -7.236 237 HB2 SER 30 HB1 SER 30 3.767 -11.735 -5.964 238 HB3 SER 30 HB2 SER 30 3.658 -11.230 -7.668 239 HG SER 30 HG SER 30 4.732 -13.231 -7.400 240 H ARG 31 H ARG 31 4.600 -8.668 -8.536 241 HA ARG 31 HA ARG 31 3.243 -6.468 -7.475 242 HB2 ARG 31 HB1 ARG 31 2.673 -7.430 -10.261 243 HB3 ARG 31 HB2 ARG 31 2.856 -5.769 -9.647 244 HG2 ARG 31 HG1 ARG 31 5.363 -6.814 -9.214 245 HG3 ARG 31 HG2 ARG 31 4.871 -7.640 -10.711 246 HD2 ARG 31 HD1 ARG 31 5.044 -5.757 -11.956 247 HD3 ARG 31 HD2 ARG 31 4.332 -4.733 -10.691 248 HE ARG 31 HE ARG 31 7.167 -5.675 -10.606 249 HH11 ARG 31 HH12 ARG 31 4.936 -2.915 -10.402 250 HH12 ARG 31 HH11 ARG 31 6.179 -1.852 -9.802 251 HH21 ARG 31 HH22 ARG 31 8.639 -4.299 -9.715 252 HH22 ARG 31 HH21 ARG 31 8.233 -2.624 -9.421 253 H LYS 32 H LYS 32 1.830 -9.597 -8.456 254 HA LYS 32 HA LYS 32 -0.910 -8.814 -8.224 255 HB2 LYS 32 HB1 LYS 32 0.573 -11.444 -8.002 256 HB3 LYS 32 HB2 LYS 32 -1.185 -11.342 -7.748 257 HG2 LYS 32 HG1 LYS 32 0.227 -10.385 -10.248 258 HG3 LYS 32 HG2 LYS 32 -0.458 -12.016 -10.057 259 HD2 LYS 32 HD1 LYS 32 -2.226 -9.635 -9.634 260 HD3 LYS 32 HD2 LYS 32 -1.775 -10.096 -11.294 261 HE2 LYS 32 HE1 LYS 32 -3.930 -11.045 -10.717 262 HE3 LYS 32 HE2 LYS 32 -2.727 -12.337 -10.920 263 HZ1 LYS 32 HZ1 LYS 32 -4.129 -12.720 -9.020 264 HZ2 LYS 32 HZ2 LYS 32 -2.572 -12.481 -8.539 265 HZ3 LYS 32 HZ3 LYS 32 -3.687 -11.282 -8.349 266 H GLU 33 H GLU 33 1.305 -10.334 -5.814 267 HA GLU 33 HA GLU 33 -0.719 -10.660 -3.824 268 HB2 GLU 33 HB1 GLU 33 1.493 -11.902 -4.117 269 HB3 GLU 33 HB2 GLU 33 2.266 -10.497 -3.346 270 HG2 GLU 33 HG1 GLU 33 1.993 -11.982 -1.579 271 HG3 GLU 33 HG2 GLU 33 0.593 -10.901 -1.415 272 H LEU 34 H LEU 34 1.648 -8.007 -4.421 273 HA LEU 34 HA LEU 34 1.113 -6.429 -2.156 274 HB2 LEU 34 HB1 LEU 34 2.886 -5.960 -3.796 275 HB3 LEU 34 HB2 LEU 34 1.658 -5.566 -5.024 276 HG LEU 34 HG LEU 34 0.875 -3.675 -3.627 277 HD11 LEU 34 HD11 LEU 34 2.201 -2.911 -1.682 278 HD12 LEU 34 HD12 LEU 34 1.511 -4.524 -1.398 279 HD13 LEU 34 HD13 LEU 34 3.231 -4.350 -1.823 280 HD21 LEU 34 HD21 LEU 34 2.840 -2.221 -3.965 281 HD22 LEU 34 HD22 LEU 34 3.873 -3.660 -4.140 282 HD23 LEU 34 HD23 LEU 34 2.606 -3.320 -5.344 283 H LYS 35 H LYS 35 -0.784 -6.670 -5.209 284 HA LYS 35 HA LYS 35 -2.578 -4.545 -4.690 285 HB2 LYS 35 HB1 LYS 35 -3.283 -5.136 -6.712 286 HB3 LYS 35 HB2 LYS 35 -2.219 -6.562 -6.642 287 HG2 LYS 35 HG1 LYS 35 -4.066 -7.840 -5.571 288 HG3 LYS 35 HG2 LYS 35 -5.122 -6.421 -5.753 289 HD2 LYS 35 HD1 LYS 35 -3.854 -7.959 -8.042 290 HD3 LYS 35 HD2 LYS 35 -5.527 -8.159 -7.470 291 HE2 LYS 35 HE1 LYS 35 -5.886 -5.704 -7.922 292 HE3 LYS 35 HE2 LYS 35 -4.278 -5.667 -8.678 293 HZ1 LYS 35 HZ1 LYS 35 -6.012 -5.962 -10.294 294 HZ2 LYS 35 HZ2 LYS 35 -5.047 -7.297 -10.247 295 HZ3 LYS 35 HZ3 LYS 35 -6.540 -7.332 -9.547 296 H GLU 36 H GLU 36 -2.439 -7.796 -3.459 297 HA GLU 36 HA GLU 36 -5.110 -7.847 -2.325 298 HB2 GLU 36 HB1 GLU 36 -3.345 -9.696 -3.310 299 HB3 GLU 36 HB2 GLU 36 -3.094 -9.880 -1.558 300 HG2 GLU 36 HG1 GLU 36 -4.824 -11.419 -2.374 301 HG3 GLU 36 HG2 GLU 36 -5.500 -10.236 -1.236 302 H LEU 37 H LEU 37 -1.748 -7.788 -0.970 303 HA LEU 37 HA LEU 37 -2.212 -7.351 1.720 304 HB2 LEU 37 HB1 LEU 37 -0.016 -7.577 1.005 305 HB3 LEU 37 HB2 LEU 37 -0.200 -6.362 -0.283 306 HG LEU 37 HG LEU 37 0.020 -4.579 1.250 307 HD11 LEU 37 HD11 LEU 37 0.522 -4.768 3.657 308 HD12 LEU 37 HD12 LEU 37 -1.089 -5.390 3.265 309 HD13 LEU 37 HD13 LEU 37 0.255 -6.517 3.559 310 HD21 LEU 37 HD21 LEU 37 2.344 -4.944 2.032 311 HD22 LEU 37 HD22 LEU 37 2.120 -6.697 1.850 312 HD23 LEU 37 HD23 LEU 37 2.081 -5.640 0.418 313 H ILE 38 H ILE 38 -2.166 -4.784 -0.824 314 HA ILE 38 HA ILE 38 -2.763 -2.651 0.958 315 HB ILE 38 HB ILE 38 -2.940 -2.959 -2.045 316 HG12 ILE 38 HG13 ILE 38 -1.036 -1.438 -0.213 317 HG13 ILE 38 HG12 ILE 38 -0.724 -3.052 -0.895 318 HG21 ILE 38 HG21 ILE 38 -3.166 -0.496 -2.221 319 HG22 ILE 38 HG22 ILE 38 -4.575 -1.220 -1.412 320 HG23 ILE 38 HG23 ILE 38 -3.326 -0.388 -0.454 321 HD11 ILE 38 HD11 ILE 38 0.453 -1.297 -2.184 322 HD12 ILE 38 HD12 ILE 38 -0.785 -2.104 -3.170 323 HD13 ILE 38 HD13 ILE 38 -1.100 -0.489 -2.489 324 H LYS 39 H LYS 39 -4.949 -4.865 -0.739 325 HA LYS 39 HA LYS 39 -7.301 -3.302 0.075 326 HB2 LYS 39 HB1 LYS 39 -6.719 -5.554 -1.843 327 HB3 LYS 39 HB2 LYS 39 -8.393 -5.188 -1.360 328 HG2 LYS 39 HG1 LYS 39 -7.662 -2.684 -1.901 329 HG3 LYS 39 HG2 LYS 39 -6.426 -3.485 -2.900 330 HD2 LYS 39 HD1 LYS 39 -8.097 -4.595 -4.224 331 HD3 LYS 39 HD2 LYS 39 -9.393 -4.115 -3.103 332 HE2 LYS 39 HE1 LYS 39 -8.937 -1.727 -3.620 333 HE3 LYS 39 HE2 LYS 39 -7.669 -2.223 -4.760 334 HZ1 LYS 39 HZ1 LYS 39 -9.717 -1.714 -5.874 335 HZ2 LYS 39 HZ2 LYS 39 -9.351 -3.310 -6.058 336 HZ3 LYS 39 HZ3 LYS 39 -10.528 -2.851 -5.000 337 H LYS 40 H LYS 40 -5.554 -6.011 1.355 338 HA LYS 40 HA LYS 40 -7.836 -7.009 2.931 339 HB2 LYS 40 HB1 LYS 40 -5.071 -7.884 2.270 340 HB3 LYS 40 HB2 LYS 40 -5.601 -8.248 3.931 341 HG2 LYS 40 HG1 LYS 40 -5.963 -10.109 2.374 342 HG3 LYS 40 HG2 LYS 40 -7.470 -9.514 3.114 343 HD2 LYS 40 HD1 LYS 40 -8.111 -8.416 1.042 344 HD3 LYS 40 HD2 LYS 40 -6.549 -8.828 0.295 345 HE2 LYS 40 HE1 LYS 40 -7.003 -11.226 0.582 346 HE3 LYS 40 HE2 LYS 40 -8.515 -10.864 1.443 347 HZ1 LYS 40 HZ1 LYS 40 -8.907 -11.439 -0.837 348 HZ2 LYS 40 HZ2 LYS 40 -9.347 -9.873 -0.564 349 HZ3 LYS 40 HZ3 LYS 40 -7.943 -10.210 -1.364 350 H GLU 41 H GLU 41 -4.632 -5.425 3.505 351 HA GLU 41 HA GLU 41 -5.145 -5.316 6.379 352 HB2 GLU 41 HB1 GLU 41 -2.890 -4.103 4.757 353 HB3 GLU 41 HB2 GLU 41 -2.943 -4.293 6.526 354 HG2 GLU 41 HG1 GLU 41 -2.932 -6.555 4.505 355 HG3 GLU 41 HG2 GLU 41 -1.524 -5.984 5.426 356 H LEU 42 H LEU 42 -5.894 -3.353 3.715 357 HA LEU 42 HA LEU 42 -7.017 -1.283 5.506 358 HB2 LEU 42 HB1 LEU 42 -4.756 -0.853 3.949 359 HB3 LEU 42 HB2 LEU 42 -6.080 -0.258 2.917 360 HG LEU 42 HG LEU 42 -5.660 0.576 5.802 361 HD11 LEU 42 HD11 LEU 42 -4.712 2.681 4.907 362 HD12 LEU 42 HD12 LEU 42 -3.739 1.273 4.425 363 HD13 LEU 42 HD13 LEU 42 -4.844 2.034 3.256 364 HD21 LEU 42 HD21 LEU 42 -7.185 2.442 5.263 365 HD22 LEU 42 HD22 LEU 42 -7.377 1.802 3.616 366 HD23 LEU 42 HD23 LEU 42 -7.966 0.866 5.011 367 H CYS 43 H CYS 43 -9.216 -1.283 5.189 368 HA CYS 43 HA CYS 43 -10.379 -2.919 3.127 369 HB2 CYS 43 HB1 CYS 43 -11.329 -2.405 5.449 370 HB3 CYS 43 HB2 CYS 43 -11.828 -0.828 4.788 371 HG CYS 43 HG CYS 43 -13.868 -2.472 4.803 372 H LEU 44 H LEU 44 -10.068 -2.328 1.028 373 HA LEU 44 HA LEU 44 -10.722 0.430 0.231 374 HB2 LEU 44 HB1 LEU 44 -8.041 -0.901 -0.127 375 HB3 LEU 44 HB2 LEU 44 -8.569 0.483 -1.116 376 HG LEU 44 HG LEU 44 -8.410 0.493 1.924 377 HD11 LEU 44 HD11 LEU 44 -6.341 1.790 1.503 378 HD12 LEU 44 HD12 LEU 44 -6.231 0.163 0.781 379 HD13 LEU 44 HD13 LEU 44 -6.561 1.574 -0.254 380 HD21 LEU 44 HD21 LEU 44 -8.527 2.957 1.688 381 HD22 LEU 44 HD22 LEU 44 -8.723 2.777 -0.069 382 HD23 LEU 44 HD23 LEU 44 -9.985 2.181 1.035 383 H GLY 45 H GLY 45 -11.539 -2.538 -0.348 384 HA2 GLY 45 HA2 GLY 45 -11.492 -2.005 -2.934 385 H GLU 46 H GLU 46 -12.957 -0.174 -2.160 386 HA GLU 46 HA GLU 46 -15.527 -0.799 -3.397 387 HB2 GLU 46 HB1 GLU 46 -16.806 -0.856 -1.365 388 HB3 GLU 46 HB2 GLU 46 -15.516 -2.082 -1.306 389 HG2 GLU 46 HG1 GLU 46 -15.669 0.531 0.213 390 HG3 GLU 46 HG2 GLU 46 -15.742 -1.120 0.867 391 H MET 47 H MET 47 -13.797 1.701 -1.372 392 HA MET 47 HA MET 47 -16.153 3.366 -1.368 393 HB2 MET 47 HB1 MET 47 -13.312 3.814 -0.409 394 HB3 MET 47 HB2 MET 47 -14.612 5.015 -0.213 395 HG2 MET 47 HG1 MET 47 -15.915 3.417 1.095 396 HG3 MET 47 HG2 MET 47 -14.672 2.178 0.857 397 HE1 MET 47 HE1 MET 47 -11.679 3.360 2.887 398 HE2 MET 47 HE2 MET 47 -12.453 2.031 1.987 399 HE3 MET 47 HE3 MET 47 -11.995 3.528 1.141 400 H LYS 48 H LYS 48 -13.700 3.124 -3.721 401 HA LYS 48 HA LYS 48 -13.683 6.008 -4.382 402 HB2 LYS 48 HB1 LYS 48 -11.814 3.730 -5.070 403 HB3 LYS 48 HB2 LYS 48 -11.689 5.352 -5.793 404 HG2 LYS 48 HG1 LYS 48 -10.073 5.171 -4.051 405 HG3 LYS 48 HG2 LYS 48 -11.351 6.289 -3.522 406 HD2 LYS 48 HD1 LYS 48 -10.479 4.753 -1.741 407 HD3 LYS 48 HD2 LYS 48 -12.239 4.683 -1.993 408 HE2 LYS 48 HE1 LYS 48 -11.960 2.642 -3.353 409 HE3 LYS 48 HE2 LYS 48 -10.203 2.714 -3.105 410 HZ1 LYS 48 HZ1 LYS 48 -11.250 1.181 -1.611 411 HZ2 LYS 48 HZ2 LYS 48 -10.585 2.433 -0.769 412 HZ3 LYS 48 HZ3 LYS 48 -12.218 2.367 -0.999 413 H GLU 49 H GLU 49 -13.574 6.587 -6.739 414 HA GLU 49 HA GLU 49 -15.826 5.426 -8.156 415 HB2 GLU 49 HB1 GLU 49 -14.954 7.207 -9.925 416 HB3 GLU 49 HB2 GLU 49 -15.914 7.659 -8.496 417 HG2 GLU 49 HG1 GLU 49 -14.016 9.195 -9.056 418 HG3 GLU 49 HG2 GLU 49 -14.026 8.568 -7.393 419 H SER 50 H SER 50 -12.359 5.308 -8.452 420 HA SER 50 HA SER 50 -12.052 3.181 -10.254 421 HB2 SER 50 HB1 SER 50 -13.049 4.693 -11.947 422 HB3 SER 50 HB2 SER 50 -11.784 5.898 -11.603 423 HG SER 50 HG SER 50 -11.284 4.574 -13.419 424 H SER 51 H SER 51 -9.467 4.525 -11.371 425 HA SER 51 HA SER 51 -7.725 5.875 -10.922 426 HB2 SER 51 HB1 SER 51 -9.312 6.655 -8.459 427 HB3 SER 51 HB2 SER 51 -7.762 7.402 -8.915 428 HG SER 51 HG SER 51 -9.579 8.556 -9.729 429 H ILE 52 H ILE 52 -8.511 4.428 -7.662 430 HA ILE 52 HA ILE 52 -5.898 3.242 -7.421 431 HB ILE 52 HB ILE 52 -7.078 3.531 -5.472 432 HG12 ILE 52 HG13 ILE 52 -7.411 1.373 -4.404 433 HG13 ILE 52 HG12 ILE 52 -7.432 0.574 -5.995 434 HG21 ILE 52 HG21 ILE 52 -9.328 2.701 -4.888 435 HG22 ILE 52 HG22 ILE 52 -9.356 3.785 -6.289 436 HG23 ILE 52 HG23 ILE 52 -9.481 2.024 -6.517 437 HD11 ILE 52 HD11 ILE 52 -5.251 0.266 -4.870 438 HD12 ILE 52 HD12 ILE 52 -5.086 1.227 -6.353 439 HD13 ILE 52 HD13 ILE 52 -5.066 2.027 -4.764 440 H ASP 53 H ASP 53 -8.973 2.190 -8.969 441 HA ASP 53 HA ASP 53 -7.826 -0.473 -9.120 442 HB2 ASP 53 HB1 ASP 53 -10.560 0.577 -9.401 443 HB3 ASP 53 HB2 ASP 53 -10.167 -0.907 -10.295 444 H ASP 54 H ASP 54 -7.754 2.209 -11.282 445 HA ASP 54 HA ASP 54 -6.737 0.681 -13.503 446 HB2 ASP 54 HB1 ASP 54 -7.401 3.051 -13.698 447 HB3 ASP 54 HB2 ASP 54 -6.078 3.511 -12.606 448 H LEU 55 H LEU 55 -5.151 2.080 -10.557 449 HA LEU 55 HA LEU 55 -2.519 1.162 -11.202 450 HB2 LEU 55 HB1 LEU 55 -3.792 1.643 -8.495 451 HB3 LEU 55 HB2 LEU 55 -2.050 1.449 -8.810 452 HG LEU 55 HG LEU 55 -3.704 3.700 -9.987 453 HD11 LEU 55 HD11 LEU 55 -2.774 5.092 -8.144 454 HD12 LEU 55 HD12 LEU 55 -3.775 3.772 -7.499 455 HD13 LEU 55 HD13 LEU 55 -2.000 3.650 -7.446 456 HD21 LEU 55 HD21 LEU 55 -1.491 4.801 -10.242 457 HD22 LEU 55 HD22 LEU 55 -0.702 3.368 -9.545 458 HD23 LEU 55 HD23 LEU 55 -1.538 3.252 -11.112 459 H MET 56 H MET 56 -5.183 -0.340 -9.310 460 HA MET 56 HA MET 56 -4.044 -2.889 -8.892 461 HB2 MET 56 HB1 MET 56 -6.941 -2.163 -9.437 462 HB3 MET 56 HB2 MET 56 -6.375 -3.742 -8.842 463 HG2 MET 56 HG1 MET 56 -5.790 -1.218 -7.317 464 HG3 MET 56 HG2 MET 56 -7.366 -2.017 -7.181 465 HE1 MET 56 HE1 MET 56 -3.499 -3.048 -5.102 466 HE2 MET 56 HE2 MET 56 -3.483 -2.413 -6.766 467 HE3 MET 56 HE3 MET 56 -4.259 -1.479 -5.463 468 H LYS 57 H LYS 57 -5.357 -1.493 -11.919 469 HA LYS 57 HA LYS 57 -5.123 -4.067 -13.284 470 HB2 LYS 57 HB1 LYS 57 -6.508 -1.750 -13.787 471 HB3 LYS 57 HB2 LYS 57 -5.147 -1.626 -14.928 472 HG2 LYS 57 HG1 LYS 57 -7.095 -3.936 -14.721 473 HG3 LYS 57 HG2 LYS 57 -7.133 -2.642 -15.944 474 HD2 LYS 57 HD1 LYS 57 -6.175 -4.328 -17.145 475 HD3 LYS 57 HD2 LYS 57 -4.725 -3.513 -16.512 476 HE2 LYS 57 HE1 LYS 57 -4.506 -5.951 -16.430 477 HE3 LYS 57 HE2 LYS 57 -4.471 -5.237 -14.804 478 HZ1 LYS 57 HZ1 LYS 57 -5.808 -7.210 -14.878 479 HZ2 LYS 57 HZ2 LYS 57 -6.746 -5.901 -14.533 480 HZ3 LYS 57 HZ3 LYS 57 -6.778 -6.565 -16.042 481 H SER 58 H SER 58 -3.071 -1.149 -12.886 482 HA SER 58 HA SER 58 -1.144 -1.771 -14.864 483 HB2 SER 58 HB1 SER 58 -1.478 0.454 -13.807 484 HB3 SER 58 HB2 SER 58 -0.786 -0.182 -12.295 485 HG SER 58 HG SER 58 0.775 0.884 -13.608 486 H LEU 59 H LEU 59 -0.989 -2.451 -11.284 487 HA LEU 59 HA LEU 59 1.539 -3.760 -11.368 488 HB2 LEU 59 HB1 LEU 59 -0.827 -4.210 -9.513 489 HB3 LEU 59 HB2 LEU 59 0.848 -4.729 -9.206 490 HG LEU 59 HG LEU 59 -0.232 -1.898 -9.258 491 HD11 LEU 59 HD11 LEU 59 0.470 -1.941 -6.883 492 HD12 LEU 59 HD12 LEU 59 -0.699 -3.238 -7.234 493 HD13 LEU 59 HD13 LEU 59 1.035 -3.617 -7.080 494 HD21 LEU 59 HD21 LEU 59 2.045 -1.136 -8.676 495 HD22 LEU 59 HD22 LEU 59 2.651 -2.793 -8.886 496 HD23 LEU 59 HD23 LEU 59 2.006 -1.895 -10.282 497 H ASP 60 H ASP 60 -1.701 -4.877 -11.834 498 HA ASP 60 HA ASP 60 -1.396 -7.717 -11.888 499 HB2 ASP 60 HB1 ASP 60 -3.305 -6.193 -11.240 500 HB3 ASP 60 HB2 ASP 60 -3.536 -5.866 -12.971 501 H LYS 61 H LYS 61 -0.815 -5.287 -14.380 502 HA LYS 61 HA LYS 61 -0.995 -7.011 -16.660 503 HB2 LYS 61 HB1 LYS 61 0.832 -4.668 -16.069 504 HB3 LYS 61 HB2 LYS 61 0.611 -5.418 -17.668 505 HG2 LYS 61 HG1 LYS 61 -1.836 -4.751 -17.495 506 HG3 LYS 61 HG2 LYS 61 -1.370 -3.771 -16.084 507 HD2 LYS 61 HD1 LYS 61 -0.496 -3.461 -18.975 508 HD3 LYS 61 HD2 LYS 61 -1.249 -2.255 -17.906 509 HE2 LYS 61 HE1 LYS 61 0.796 -2.401 -16.431 510 HE3 LYS 61 HE2 LYS 61 1.547 -3.437 -17.664 511 HZ1 LYS 61 HZ1 LYS 61 2.243 -1.166 -17.870 512 HZ2 LYS 61 HZ2 LYS 61 1.383 -1.621 -19.199 513 HZ3 LYS 61 HZ3 LYS 61 0.685 -0.660 -18.054 514 H ASN 62 H ASN 62 1.569 -6.396 -14.283 515 HA ASN 62 HA ASN 62 3.579 -7.778 -15.998 516 HB2 ASN 62 HB1 ASN 62 3.741 -5.602 -13.894 517 HB3 ASN 62 HB2 ASN 62 5.174 -6.443 -14.523 518 HD21 ASN 62 HD21 ASN 62 6.087 -4.524 -15.190 519 HD22 ASN 62 HD22 ASN 62 5.514 -3.656 -16.599 520 H SER 63 H SER 63 2.572 -7.403 -12.505 521 HA SER 63 HA SER 63 1.474 -9.119 -11.524 522 HB2 SER 63 HB1 SER 63 1.319 -10.084 -13.881 523 HB3 SER 63 HB2 SER 63 2.726 -11.087 -13.452 524 HG SER 63 HG SER 63 0.729 -12.147 -13.074 525 H ASP 64 H ASP 64 4.787 -10.254 -12.437 526 HA ASP 64 HA ASP 64 5.189 -11.335 -9.742 527 HB2 ASP 64 HB1 ASP 64 4.624 -13.075 -12.145 528 HB3 ASP 64 HB2 ASP 64 5.572 -13.668 -10.765 529 H GLN 65 H GLN 65 6.479 -9.666 -12.325 530 HA GLN 65 HA GLN 65 9.105 -10.104 -11.230 531 HB2 GLN 65 HB1 GLN 65 8.913 -7.388 -11.374 532 HB3 GLN 65 HB2 GLN 65 9.427 -8.463 -12.697 533 HG2 GLN 65 HG1 GLN 65 7.326 -8.276 -13.791 534 HG3 GLN 65 HG2 GLN 65 6.572 -7.511 -12.375 535 HE21 GLN 65 HE12 GLN 65 9.818 -6.652 -13.684 536 HE22 GLN 65 HE22 GLN 65 9.364 -5.037 -14.172 537 H GLU 66 H GLU 66 10.071 -8.776 -9.527 538 HA GLU 66 HA GLU 66 8.404 -8.652 -7.163 539 HB2 GLU 66 HB1 GLU 66 11.317 -8.048 -7.742 540 HB3 GLU 66 HB2 GLU 66 10.586 -7.854 -6.131 541 HG2 GLU 66 HG1 GLU 66 10.064 -10.204 -5.999 542 HG3 GLU 66 HG2 GLU 66 10.484 -10.456 -7.708 543 H ILE 67 H ILE 67 8.037 -6.929 -5.858 544 HA ILE 67 HA ILE 67 8.543 -4.141 -6.777 545 HB ILE 67 HB ILE 67 6.210 -5.364 -5.238 546 HG12 ILE 67 HG13 ILE 67 6.415 -3.555 -7.668 547 HG13 ILE 67 HG12 ILE 67 6.160 -5.316 -7.709 548 HG21 ILE 67 HG21 ILE 67 5.407 -3.059 -4.814 549 HG22 ILE 67 HG22 ILE 67 6.963 -3.357 -4.004 550 HG23 ILE 67 HG23 ILE 67 6.909 -2.408 -5.509 551 HD11 ILE 67 HD11 ILE 67 4.053 -4.099 -8.134 552 HD12 ILE 67 HD12 ILE 67 3.980 -5.025 -6.624 553 HD13 ILE 67 HD13 ILE 67 4.235 -3.265 -6.580 554 H ASP 68 H ASP 68 9.603 -2.874 -5.419 555 HA ASP 68 HA ASP 68 10.598 -3.638 -2.779 556 HB2 ASP 68 HB1 ASP 68 12.026 -2.534 -4.349 557 HB3 ASP 68 HB2 ASP 68 10.808 -1.282 -4.676 558 H PHE 69 H PHE 69 9.956 -2.865 -0.842 559 HA PHE 69 HA PHE 69 7.607 -1.794 -0.003 560 HB2 PHE 69 HB1 PHE 69 9.835 -2.564 1.164 561 HB3 PHE 69 HB2 PHE 69 10.220 -0.835 1.163 562 HD1 PHE 69 HD2 PHE 69 8.574 0.773 2.384 563 HD2 PHE 69 HD1 PHE 69 8.443 -3.512 2.786 564 HE1 PHE 69 HE2 PHE 69 7.383 1.017 4.550 565 HE2 PHE 69 HE1 PHE 69 7.254 -3.264 4.948 566 HZ PHE 69 HZ PHE 69 6.760 -1.006 5.856 567 H LYS 70 H LYS 70 10.005 0.053 -1.764 568 HA LYS 70 HA LYS 70 9.321 2.728 -1.032 569 HB2 LYS 70 HB1 LYS 70 11.358 1.670 -2.191 570 HB3 LYS 70 HB2 LYS 70 10.361 1.631 -3.665 571 HG2 LYS 70 HG1 LYS 70 11.707 3.539 -3.895 572 HG3 LYS 70 HG2 LYS 70 10.128 4.167 -3.368 573 HD2 LYS 70 HD1 LYS 70 10.900 4.689 -1.220 574 HD3 LYS 70 HD2 LYS 70 12.214 3.489 -1.289 575 HE2 LYS 70 HE1 LYS 70 13.279 4.898 -3.108 576 HE3 LYS 70 HE2 LYS 70 12.049 6.138 -2.784 577 HZ1 LYS 70 HZ1 LYS 70 14.076 6.566 -1.594 578 HZ2 LYS 70 HZ2 LYS 70 12.853 6.256 -0.533 579 HZ3 LYS 70 HZ3 LYS 70 13.995 5.105 -0.834 580 H GLU 71 H GLU 71 8.382 0.647 -3.814 581 HA GLU 71 HA GLU 71 6.478 2.397 -4.967 582 HB2 GLU 71 HB1 GLU 71 6.185 -0.612 -4.939 583 HB3 GLU 71 HB2 GLU 71 5.590 0.549 -6.150 584 HG2 GLU 71 HG1 GLU 71 8.038 1.048 -6.666 585 HG3 GLU 71 HG2 GLU 71 8.436 -0.376 -5.679 586 H TYR 72 H TYR 72 6.266 -0.068 -2.391 587 HA TYR 72 HA TYR 72 3.447 0.003 -2.019 588 HB2 TYR 72 HB1 TYR 72 4.620 -1.848 -1.265 589 HB3 TYR 72 HB2 TYR 72 5.815 -0.866 -0.403 590 HD1 TYR 72 HD2 TYR 72 2.066 -1.450 -0.193 591 HD2 TYR 72 HD1 TYR 72 5.828 -1.050 1.857 592 HE1 TYR 72 HE2 TYR 72 1.013 -2.281 1.901 593 HE2 TYR 72 HE1 TYR 72 4.761 -1.781 3.977 594 HH TYR 72 HH TYR 72 1.329 -2.777 4.132 595 H SER 73 H SER 73 6.036 1.962 -0.407 596 HA SER 73 HA SER 73 4.121 3.352 1.225 597 HB2 SER 73 HB1 SER 73 5.962 4.770 1.874 598 HB3 SER 73 HB2 SER 73 6.429 3.053 1.908 599 HG SER 73 HG SER 73 8.043 4.395 0.990 600 H VAL 74 H VAL 74 5.630 4.251 -1.976 601 HA VAL 74 HA VAL 74 4.263 6.776 -1.982 602 HB VAL 74 HB VAL 74 4.649 6.956 -4.344 603 HG11 VAL 74 HG11 VAL 74 7.102 7.038 -4.300 604 HG12 VAL 74 HG12 VAL 74 6.386 7.622 -2.784 605 HG13 VAL 74 HG13 VAL 74 7.101 5.995 -2.863 606 HG21 VAL 74 HG21 VAL 74 5.935 5.351 -5.682 607 HG22 VAL 74 HG22 VAL 74 5.892 4.209 -4.327 608 HG23 VAL 74 HG23 VAL 74 4.384 4.685 -5.141 609 H PHE 75 H PHE 75 3.266 3.543 -2.973 610 HA PHE 75 HA PHE 75 0.946 4.344 -4.497 611 HB2 PHE 75 HB1 PHE 75 2.333 2.224 -4.660 612 HB3 PHE 75 HB2 PHE 75 1.545 1.699 -3.162 613 HD1 PHE 75 HD2 PHE 75 -1.171 1.823 -3.289 614 HD2 PHE 75 HD1 PHE 75 1.510 1.453 -6.635 615 HE1 PHE 75 HE2 PHE 75 -2.952 0.690 -4.593 616 HE2 PHE 75 HE1 PHE 75 -0.268 0.316 -7.936 617 HZ PHE 75 HZ PHE 75 -2.495 -0.092 -6.912 618 H LEU 76 H LEU 76 1.410 3.033 -1.127 619 HA LEU 76 HA LEU 76 -1.256 3.377 -0.267 620 HB2 LEU 76 HB1 LEU 76 1.409 3.497 1.158 621 HB3 LEU 76 HB2 LEU 76 -0.135 3.687 2.023 622 HG LEU 76 HG LEU 76 0.675 1.240 0.407 623 HD11 LEU 76 HD11 LEU 76 1.001 0.218 2.643 624 HD12 LEU 76 HD12 LEU 76 2.074 1.623 2.419 625 HD13 LEU 76 HD13 LEU 76 0.606 1.775 3.414 626 HD21 LEU 76 HD21 LEU 76 -1.249 0.145 1.516 627 HD22 LEU 76 HD22 LEU 76 -1.670 1.685 2.300 628 HD23 LEU 76 HD23 LEU 76 -1.775 1.527 0.531 629 H THR 77 H THR 77 1.481 5.733 -0.162 630 HA THR 77 HA THR 77 0.060 7.877 1.038 631 HB THR 77 HB THR 77 2.403 7.931 -0.893 632 HG1 THR 77 HG1 THR 77 3.529 8.125 1.096 633 HG21 THR 77 HG21 THR 77 2.887 10.161 0.077 634 HG22 THR 77 HG22 THR 77 1.309 10.147 -0.744 635 HG23 THR 77 HG23 THR 77 1.390 10.066 1.033 636 H MET 78 H MET 78 0.721 7.282 -2.449 637 HA MET 78 HA MET 78 -0.807 9.312 -3.603 638 HB2 MET 78 HB1 MET 78 0.777 7.853 -4.769 639 HB3 MET 78 HB2 MET 78 -0.299 6.457 -4.517 640 HG2 MET 78 HG1 MET 78 -1.790 7.142 -6.145 641 HG3 MET 78 HG2 MET 78 -1.287 8.839 -6.051 642 HE1 MET 78 HE1 MET 78 1.017 5.417 -8.192 643 HE2 MET 78 HE2 MET 78 0.772 5.446 -6.430 644 HE3 MET 78 HE3 MET 78 -0.626 5.290 -7.522 645 H LEU 79 H LEU 79 -1.875 6.106 -2.502 646 HA LEU 79 HA LEU 79 -4.548 6.278 -3.527 647 HB2 LEU 79 HB1 LEU 79 -3.305 4.196 -3.180 648 HB3 LEU 79 HB2 LEU 79 -3.232 4.518 -1.430 649 HG LEU 79 HG LEU 79 -5.592 4.179 -1.189 650 HD11 LEU 79 HD11 LEU 79 -7.057 3.675 -3.110 651 HD12 LEU 79 HD12 LEU 79 -6.324 5.289 -3.263 652 HD13 LEU 79 HD13 LEU 79 -5.688 3.930 -4.220 653 HD21 LEU 79 HD21 LEU 79 -5.777 1.835 -1.955 654 HD22 LEU 79 HD22 LEU 79 -4.396 2.081 -3.052 655 HD23 LEU 79 HD23 LEU 79 -4.159 2.168 -1.291 656 H CYS 80 H CYS 80 -3.223 6.653 -0.162 657 HA CYS 80 HA CYS 80 -5.633 7.383 1.094 658 HB2 CYS 80 HB1 CYS 80 -3.522 6.890 2.246 659 HB3 CYS 80 HB2 CYS 80 -2.784 8.358 1.558 660 HG CYS 80 HG CYS 80 -3.318 8.736 4.096 661 H MET 81 H MET 81 -3.383 9.355 -0.812 662 HA MET 81 HA MET 81 -4.744 11.856 -0.440 663 HB2 MET 81 HB1 MET 81 -2.250 11.221 -1.060 664 HB3 MET 81 HB2 MET 81 -2.870 11.358 -2.723 665 HG2 MET 81 HG1 MET 81 -3.874 13.624 -1.898 666 HG3 MET 81 HG2 MET 81 -2.713 13.471 -0.570 667 HE1 MET 81 HE1 MET 81 -1.935 14.180 -5.009 668 HE2 MET 81 HE2 MET 81 -2.853 12.771 -4.414 669 HE3 MET 81 HE3 MET 81 -3.457 14.418 -4.109 670 H ALA 82 H ALA 82 -5.788 9.204 -2.239 671 HA ALA 82 HA ALA 82 -6.927 10.772 -4.427 672 HB1 ALA 82 HB1 ALA 82 -7.790 8.595 -5.196 673 HB2 ALA 82 HB2 ALA 82 -6.049 8.521 -4.834 674 HB3 ALA 82 HB3 ALA 82 -7.227 7.839 -3.687 675 H TYR 83 H TYR 83 -7.799 10.760 -1.297 676 HA TYR 83 HA TYR 83 -10.528 11.468 -1.648 677 HB2 TYR 83 HB1 TYR 83 -11.533 9.524 -0.370 678 HB3 TYR 83 HB2 TYR 83 -11.065 9.224 -2.053 679 HD1 TYR 83 HD2 TYR 83 -10.063 8.622 1.505 680 HD2 TYR 83 HD1 TYR 83 -9.526 7.513 -2.617 681 HE1 TYR 83 HE2 TYR 83 -8.520 6.803 2.198 682 HE2 TYR 83 HE1 TYR 83 -8.195 5.546 -1.915 683 HH TYR 83 HH TYR 83 -7.151 5.100 1.493 684 H ASN 84 H ASN 84 -8.116 12.461 -0.217 685 HA ASN 84 HA ASN 84 -8.917 12.153 2.599 686 HB2 ASN 84 HB1 ASN 84 -6.726 12.891 3.228 687 HB3 ASN 84 HB2 ASN 84 -6.649 11.539 2.077 688 HD21 ASN 84 HD21 ASN 84 -4.439 13.228 2.674 689 HD22 ASN 84 HD22 ASN 84 -4.026 14.103 1.210 690 H ASP 85 H ASP 85 -10.714 13.749 1.336 691 HA ASP 85 HA ASP 85 -10.283 16.528 1.789 692 HB2 ASP 85 HB1 ASP 85 -12.674 16.745 1.576 693 HB3 ASP 85 HB2 ASP 85 -12.093 15.553 0.393 694 H PHE 86 H PHE 86 -11.026 13.926 3.987 695 HA PHE 86 HA PHE 86 -11.904 15.079 6.311 696 HB2 PHE 86 HB1 PHE 86 -10.234 12.771 5.504 697 HB3 PHE 86 HB2 PHE 86 -10.009 13.281 7.188 698 HD1 PHE 86 HD2 PHE 86 -12.852 12.640 4.779 699 HD2 PHE 86 HD1 PHE 86 -11.336 12.258 8.792 700 HE1 PHE 86 HE2 PHE 86 -14.896 11.395 5.434 701 HE2 PHE 86 HE1 PHE 86 -13.370 10.986 9.441 702 HZ PHE 86 HZ PHE 86 -15.161 10.567 7.762 703 H PHE 87 H PHE 87 -8.861 15.955 4.839 704 HA PHE 87 HA PHE 87 -8.046 17.259 7.385 705 HB2 PHE 87 HB1 PHE 87 -6.098 16.382 5.248 706 HB3 PHE 87 HB2 PHE 87 -5.765 16.843 6.925 707 HD1 PHE 87 HD1 PHE 87 -7.107 15.242 8.723 708 HD2 PHE 87 HD2 PHE 87 -5.873 14.163 4.746 709 HE1 PHE 87 HE1 PHE 87 -7.386 12.839 9.286 710 HE2 PHE 87 HE2 PHE 87 -6.162 11.761 5.302 711 HZ PHE 87 HZ PHE 87 -6.980 11.100 7.556 712 H LEU 88 H LEU 88 -9.633 18.265 4.843 713 HA LEU 88 HA LEU 88 -7.894 20.630 4.392 714 HB2 LEU 88 HB1 LEU 88 -9.233 18.876 2.340 715 HB3 LEU 88 HB2 LEU 88 -8.873 20.583 1.989 716 HG LEU 88 HG LEU 88 -6.768 18.655 3.010 717 HD11 LEU 88 HD11 LEU 88 -5.990 18.374 0.669 718 HD12 LEU 88 HD12 LEU 88 -7.642 17.755 0.877 719 HD13 LEU 88 HD13 LEU 88 -7.371 19.335 0.103 720 HD21 LEU 88 HD21 LEU 88 -5.176 20.258 1.966 721 HD22 LEU 88 HD22 LEU 88 -6.545 21.245 1.413 722 HD23 LEU 88 HD23 LEU 88 -6.217 21.068 3.154 723 H GLU 89 H GLU 89 -8.874 22.585 3.962 724 HA GLU 89 HA GLU 89 -11.795 22.820 4.578 725 HB2 GLU 89 HB1 GLU 89 -9.445 24.750 4.795 726 HB3 GLU 89 HB2 GLU 89 -11.144 25.245 4.994 727 HG2 GLU 89 HG1 GLU 89 -11.385 23.989 6.998 728 HG3 GLU 89 HG2 GLU 89 -9.889 23.076 6.702 729 H ASP 90 H ASP 90 -9.973 22.479 1.831 730 HA ASP 90 HA ASP 90 -10.616 25.080 0.599 731 HB2 ASP 90 HB1 ASP 90 -8.179 25.615 0.403 732 HB3 ASP 90 HB2 ASP 90 -8.806 25.648 2.067 733 H ASN 91 H ASN 91 -8.548 22.123 0.255 734 HA ASN 91 HA ASN 91 -8.319 20.656 -1.431 735 HB2 ASN 91 HB1 ASN 91 -11.183 21.475 -1.952 736 HB3 ASN 91 HB2 ASN 91 -10.400 20.034 -2.635 737 HD21 ASN 91 HD21 ASN 91 -11.878 21.426 0.220 738 HD22 ASN 91 HD22 ASN 91 -11.698 20.022 1.262 739 H LYS 92 H LYS 92 -7.475 23.368 -2.005 740 HA LYS 92 HA LYS 92 -7.636 23.612 -4.931 741 HB2 LYS 92 HB1 LYS 92 -6.505 25.796 -4.495 742 HB3 LYS 92 HB2 LYS 92 -8.127 25.598 -3.789 743 HG2 LYS 92 HG1 LYS 92 -6.863 26.815 -2.232 744 HG3 LYS 92 HG2 LYS 92 -7.010 25.166 -1.581 745 HD2 LYS 92 HD1 LYS 92 -4.534 25.952 -3.088 746 HD3 LYS 92 HD2 LYS 92 -4.753 26.482 -1.404 747 HE2 LYS 92 HE1 LYS 92 -4.159 24.463 -0.628 748 HE3 LYS 92 HE2 LYS 92 -5.369 23.659 -1.651 749 HZ1 LYS 92 HZ1 LYS 92 -3.151 22.922 -2.153 750 HZ2 LYS 92 HZ2 LYS 92 -3.792 23.713 -3.450 751 HZ3 LYS 92 HZ3 LYS 92 -2.669 24.460 -2.501 752 HA MET 1 HA MET 1 -8.611 0.253 15.377 753 HB2 MET 1 HB1 MET 1 -11.407 -0.835 15.031 754 HB3 MET 1 HB2 MET 1 -9.950 -1.823 14.765 755 HG2 MET 1 HG1 MET 1 -9.219 -1.378 17.071 756 HG3 MET 1 HG2 MET 1 -10.644 -0.363 17.341 757 HE1 MET 1 HE1 MET 1 -10.712 -4.055 19.260 758 HE2 MET 1 HE2 MET 1 -9.235 -3.384 18.529 759 HE3 MET 1 HE3 MET 1 -10.285 -2.349 19.528 760 H GLU 2 H GLU 2 -11.372 0.184 13.058 761 HA GLU 2 HA GLU 2 -11.491 0.384 10.819 762 HB2 GLU 2 HB1 GLU 2 -8.720 1.585 11.058 763 HB3 GLU 2 HB2 GLU 2 -9.726 1.601 9.589 764 HG2 GLU 2 HG1 GLU 2 -9.853 3.756 10.735 765 HG3 GLU 2 HG2 GLU 2 -11.432 2.941 10.772 766 H THR 3 H THR 3 -8.094 -0.208 10.590 767 HA THR 3 HA THR 3 -8.006 -3.084 10.540 768 HB THR 3 HB THR 3 -7.279 -3.392 8.282 769 HG1 THR 3 HG1 THR 3 -7.360 -1.636 6.831 770 HG21 THR 3 HG21 THR 3 -9.258 -2.991 6.872 771 HG22 THR 3 HG22 THR 3 -9.699 -3.631 8.465 772 HG23 THR 3 HG23 THR 3 -9.902 -1.899 8.111 773 HA PRO 4 HA PRO 4 -4.149 -1.899 11.917 774 HB2 PRO 4 HB1 PRO 4 -2.211 -3.675 11.137 775 HB3 PRO 4 HB2 PRO 4 -3.587 -4.107 12.202 776 HG2 PRO 4 HG1 PRO 4 -3.375 -4.494 9.213 777 HG3 PRO 4 HG2 PRO 4 -3.871 -5.701 10.442 778 HD2 PRO 4 HD1 PRO 4 -5.703 -4.280 9.001 779 HD3 PRO 4 HD2 PRO 4 -5.980 -4.642 10.730 780 H LEU 5 H LEU 5 -3.530 -2.445 8.363 781 HA LEU 5 HA LEU 5 -1.227 -0.750 8.316 782 HB2 LEU 5 HB1 LEU 5 -1.687 -2.453 6.646 783 HB3 LEU 5 HB2 LEU 5 -3.131 -1.559 6.111 784 HG LEU 5 HG LEU 5 -1.735 0.245 5.254 785 HD11 LEU 5 HD11 LEU 5 0.732 0.046 5.172 786 HD12 LEU 5 HD12 LEU 5 0.146 0.128 6.849 787 HD13 LEU 5 HD13 LEU 5 0.642 -1.434 6.153 788 HD21 LEU 5 HD21 LEU 5 -0.688 -1.053 3.413 789 HD22 LEU 5 HD22 LEU 5 -0.806 -2.537 4.389 790 HD23 LEU 5 HD23 LEU 5 -2.285 -1.718 3.835 791 H GLU 6 H GLU 6 -4.684 -0.020 8.079 792 HA GLU 6 HA GLU 6 -4.681 2.620 7.181 793 HB2 GLU 6 HB1 GLU 6 -6.616 1.092 7.889 794 HB3 GLU 6 HB2 GLU 6 -6.277 1.612 9.556 795 HG2 GLU 6 HG1 GLU 6 -6.885 3.532 7.306 796 HG3 GLU 6 HG2 GLU 6 -8.137 2.823 8.349 797 H LYS 7 H LYS 7 -4.162 1.439 10.557 798 HA LYS 7 HA LYS 7 -4.017 3.987 11.715 799 HB2 LYS 7 HB1 LYS 7 -2.586 1.527 12.724 800 HB3 LYS 7 HB2 LYS 7 -3.036 2.972 13.661 801 HG2 LYS 7 HG1 LYS 7 -4.743 0.711 12.687 802 HG3 LYS 7 HG2 LYS 7 -4.590 1.402 14.320 803 HD2 LYS 7 HD1 LYS 7 -6.101 2.514 11.955 804 HD3 LYS 7 HD2 LYS 7 -6.756 1.922 13.501 805 HE2 LYS 7 HE1 LYS 7 -5.998 3.853 14.672 806 HE3 LYS 7 HE2 LYS 7 -4.969 4.367 13.318 807 HZ1 LYS 7 HZ1 LYS 7 -7.009 5.609 13.406 808 HZ2 LYS 7 HZ2 LYS 7 -6.955 4.709 12.023 809 HZ3 LYS 7 HZ3 LYS 7 -7.910 4.232 13.280 810 H ALA 8 H ALA 8 -1.463 2.327 9.933 811 HA ALA 8 HA ALA 8 0.652 4.071 10.810 812 HB1 ALA 8 HB1 ALA 8 1.854 3.143 8.867 813 HB2 ALA 8 HB2 ALA 8 1.053 1.861 9.807 814 HB3 ALA 8 HB3 ALA 8 0.340 2.418 8.274 815 H LEU 9 H LEU 9 -1.531 4.173 7.918 816 HA LEU 9 HA LEU 9 -0.562 6.656 6.917 817 HB2 LEU 9 HB1 LEU 9 -3.148 5.145 6.594 818 HB3 LEU 9 HB2 LEU 9 -2.915 6.753 5.868 819 HG LEU 9 HG LEU 9 -2.595 5.104 4.201 820 HD11 LEU 9 HD11 LEU 9 -0.316 5.587 3.393 821 HD12 LEU 9 HD12 LEU 9 -1.099 7.032 4.065 822 HD13 LEU 9 HD13 LEU 9 0.129 6.161 5.015 823 HD21 LEU 9 HD21 LEU 9 -0.898 3.320 4.270 824 HD22 LEU 9 HD22 LEU 9 -0.473 3.799 5.926 825 HD23 LEU 9 HD23 LEU 9 -2.093 3.148 5.571 826 H THR 10 H THR 10 -3.282 5.948 9.266 827 HA THR 10 HA THR 10 -3.859 8.710 9.567 828 HB THR 10 HB THR 10 -4.601 7.765 12.021 829 HG1 THR 10 HG1 THR 10 -5.697 5.838 11.529 830 HG21 THR 10 HG21 THR 10 -6.830 7.827 10.951 831 HG22 THR 10 HG22 THR 10 -5.814 9.182 10.401 832 HG23 THR 10 HG23 THR 10 -6.061 7.770 9.346 833 H THR 11 H THR 11 -1.493 6.702 11.423 834 HA THR 11 HA THR 11 -0.598 8.743 13.146 835 HB THR 11 HB THR 11 1.083 6.668 11.703 836 HG1 THR 11 HG1 THR 11 0.759 5.566 13.704 837 HG21 THR 11 HG21 THR 11 2.654 6.908 13.616 838 HG22 THR 11 HG22 THR 11 2.491 8.436 12.726 839 HG23 THR 11 HG23 THR 11 1.641 8.212 14.273 840 H MET 12 H MET 12 0.138 8.234 9.665 841 HA MET 12 HA MET 12 2.339 10.091 9.690 842 HB2 MET 12 HB1 MET 12 0.812 8.661 7.509 843 HB3 MET 12 HB2 MET 12 2.065 9.865 7.127 844 HG2 MET 12 HG1 MET 12 3.759 8.588 8.225 845 HG3 MET 12 HG2 MET 12 2.566 7.515 8.976 846 HE1 MET 12 HE1 MET 12 5.044 5.908 5.984 847 HE2 MET 12 HE2 MET 12 5.300 7.544 6.634 848 HE3 MET 12 HE3 MET 12 5.009 6.179 7.741 849 H VAL 13 H VAL 13 -1.095 10.405 8.671 850 HA VAL 13 HA VAL 13 -0.763 13.202 8.005 851 HB VAL 13 HB VAL 13 -3.189 13.343 7.888 852 HG11 VAL 13 HG11 VAL 13 -3.573 11.704 6.066 853 HG12 VAL 13 HG12 VAL 13 -1.969 12.455 5.936 854 HG13 VAL 13 HG13 VAL 13 -2.130 10.805 6.581 855 HG21 VAL 13 HG21 VAL 13 -4.621 11.367 8.290 856 HG22 VAL 13 HG22 VAL 13 -3.201 10.461 8.855 857 HG23 VAL 13 HG23 VAL 13 -3.780 11.873 9.770 858 H THR 14 H THR 14 -1.557 11.474 11.008 859 HA THR 14 HA THR 14 -2.523 13.732 12.490 860 HB THR 14 HB THR 14 -1.374 11.065 13.368 861 HG1 THR 14 HG1 THR 14 -3.630 10.699 13.682 862 HG21 THR 14 HG21 THR 14 -2.499 11.447 15.548 863 HG22 THR 14 HG22 THR 14 -1.232 12.657 15.260 864 HG23 THR 14 HG23 THR 14 -2.945 13.082 15.022 865 H THR 15 H THR 15 0.753 12.479 11.898 866 HA THR 15 HA THR 15 1.943 14.474 13.674 867 HB THR 15 HB THR 15 4.094 13.600 12.638 868 HG1 THR 15 HG1 THR 15 3.833 11.577 11.609 869 HG21 THR 15 HG21 THR 15 3.974 11.519 13.976 870 HG22 THR 15 HG22 THR 15 3.205 12.876 14.830 871 HG23 THR 15 HG23 THR 15 2.200 11.651 14.021 872 H PHE 16 H PHE 16 2.102 13.917 10.072 873 HA PHE 16 HA PHE 16 3.570 16.211 9.470 874 HB2 PHE 16 HB1 PHE 16 3.109 14.287 7.993 875 HB3 PHE 16 HB2 PHE 16 1.435 14.838 7.811 876 HD1 PHE 16 HD1 PHE 16 1.084 17.206 6.737 877 HD2 PHE 16 HD2 PHE 16 4.762 14.983 6.478 878 HE1 PHE 16 HE1 PHE 16 1.702 18.460 4.685 879 HE2 PHE 16 HE2 PHE 16 5.298 16.124 4.336 880 HZ PHE 16 HZ PHE 16 3.745 17.831 3.414 881 H HIS 17 H HIS 17 -0.012 16.002 9.819 882 HA HIS 17 HA HIS 17 -0.635 18.561 8.804 883 HB2 HIS 17 HB1 HIS 17 -2.259 16.767 9.308 884 HB3 HIS 17 HB2 HIS 17 -1.988 17.018 11.043 885 HD1 HIS 17 HD1 HIS 17 -3.037 19.315 12.078 886 HD2 HIS 17 HD2 HIS 17 -3.807 18.543 8.023 887 HE1 HIS 17 HE1 HIS 17 -4.872 20.943 11.369 888 HE2 HIS 17 HE2 HIS 17 -5.347 20.498 8.891 889 H LYS 18 H LYS 18 0.699 17.689 11.989 890 HA LYS 18 HA LYS 18 0.005 20.027 13.430 891 HB2 LYS 18 HB1 LYS 18 2.438 18.218 13.709 892 HB3 LYS 18 HB2 LYS 18 1.811 19.324 14.953 893 HG2 LYS 18 HG1 LYS 18 -0.083 17.269 13.910 894 HG3 LYS 18 HG2 LYS 18 1.266 16.688 14.915 895 HD2 LYS 18 HD1 LYS 18 0.608 18.046 16.757 896 HD3 LYS 18 HD2 LYS 18 -0.524 18.984 15.753 897 HE2 LYS 18 HE1 LYS 18 -1.629 17.329 17.292 898 HE3 LYS 18 HE2 LYS 18 -2.033 17.117 15.575 899 HZ1 LYS 18 HZ1 LYS 18 -1.581 15.029 16.647 900 HZ2 LYS 18 HZ2 LYS 18 -0.448 15.329 15.490 901 HZ3 LYS 18 HZ3 LYS 18 -0.073 15.527 17.083 902 H TYR 19 H TYR 19 2.387 19.540 10.967 903 HA TYR 19 HA TYR 19 3.938 21.975 11.674 904 HB2 TYR 19 HB1 TYR 19 4.647 19.496 10.056 905 HB3 TYR 19 HB2 TYR 19 5.738 20.847 10.407 906 HD1 TYR 19 HD2 TYR 19 3.947 17.944 11.852 907 HD2 TYR 19 HD1 TYR 19 6.898 20.999 12.550 908 HE1 TYR 19 HE2 TYR 19 4.708 16.732 13.874 909 HE2 TYR 19 HE1 TYR 19 7.611 19.830 14.629 910 HH TYR 19 HH TYR 19 6.036 16.783 15.712 911 H SER 20 H SER 20 1.351 21.380 9.870 912 HA SER 20 HA SER 20 2.161 23.072 7.573 913 HB2 SER 20 HB1 SER 20 0.802 21.494 6.093 914 HB3 SER 20 HB2 SER 20 2.374 20.877 6.653 915 HG SER 20 HG SER 20 0.685 19.329 6.865 916 H GLY 21 H GLY 21 -0.626 21.390 9.150 917 HA2 GLY 21 HA2 GLY 21 -1.848 23.645 8.499 918 H ARG 22 H ARG 22 -0.317 23.511 10.857 919 HA ARG 22 HA ARG 22 -1.440 25.644 12.330 920 HB2 ARG 22 HB1 ARG 22 1.265 24.788 11.371 921 HB3 ARG 22 HB2 ARG 22 1.105 26.467 11.943 922 HG2 ARG 22 HG1 ARG 22 0.435 25.685 14.148 923 HG3 ARG 22 HG2 ARG 22 0.482 23.995 13.590 924 HD2 ARG 22 HD1 ARG 22 2.546 24.908 14.890 925 HD3 ARG 22 HD2 ARG 22 2.840 23.996 13.394 926 HE ARG 22 HE ARG 22 3.841 25.841 12.530 927 HH11 ARG 22 HH12 ARG 22 2.430 27.018 15.489 928 HH12 ARG 22 HH11 ARG 22 2.584 28.693 15.026 929 HH21 ARG 22 HH22 ARG 22 3.634 27.977 11.773 930 HH22 ARG 22 HH21 ARG 22 3.260 29.228 12.937 931 H GLU 23 H GLU 23 0.051 25.548 9.112 932 HA GLU 23 HA GLU 23 0.123 28.479 8.836 933 HB2 GLU 23 HB1 GLU 23 1.107 26.627 6.714 934 HB3 GLU 23 HB2 GLU 23 1.780 28.170 7.289 935 HG2 GLU 23 HG1 GLU 23 2.149 25.423 8.481 936 HG3 GLU 23 HG2 GLU 23 3.364 26.447 7.685 937 H GLY 24 H GLY 24 -1.308 25.595 7.352 938 HA2 GLY 24 HA2 GLY 24 -3.037 25.373 6.863 939 H SER 25 H SER 25 -0.920 25.479 5.030 940 HA SER 25 HA SER 25 -2.236 24.384 2.673 941 HB2 SER 25 HB1 SER 25 0.129 23.985 1.941 942 HB3 SER 25 HB2 SER 25 -0.210 25.675 2.389 943 HG SER 25 HG SER 25 1.769 24.900 3.264 944 H LYS 26 H LYS 26 -3.455 22.481 3.766 945 HA LYS 26 HA LYS 26 -1.965 21.190 5.840 946 HB2 LYS 26 HB1 LYS 26 -4.730 20.840 4.685 947 HB3 LYS 26 HB2 LYS 26 -4.125 19.793 5.991 948 HG2 LYS 26 HG1 LYS 26 -3.785 21.656 7.454 949 HG3 LYS 26 HG2 LYS 26 -4.030 22.823 6.133 950 HD2 LYS 26 HD1 LYS 26 -6.191 21.054 7.310 951 HD3 LYS 26 HD2 LYS 26 -5.893 22.750 7.763 952 HE2 LYS 26 HE1 LYS 26 -6.500 21.903 4.923 953 HE3 LYS 26 HE2 LYS 26 -7.777 22.289 6.098 954 HZ1 LYS 26 HZ1 LYS 26 -7.243 24.161 4.716 955 HZ2 LYS 26 HZ2 LYS 26 -6.853 24.479 6.284 956 HZ3 LYS 26 HZ3 LYS 26 -5.668 24.120 5.195 957 H LEU 27 H LEU 27 -1.681 20.448 2.574 958 HA LEU 27 HA LEU 27 -0.623 17.758 3.244 959 HB2 LEU 27 HB1 LEU 27 -1.554 18.855 0.574 960 HB3 LEU 27 HB2 LEU 27 -0.869 17.235 0.844 961 HG LEU 27 HG LEU 27 -3.491 18.295 1.948 962 HD11 LEU 27 HD11 LEU 27 -4.485 16.623 0.405 963 HD12 LEU 27 HD12 LEU 27 -3.495 17.806 -0.481 964 HD13 LEU 27 HD13 LEU 27 -2.856 16.177 -0.157 965 HD21 LEU 27 HD21 LEU 27 -3.915 15.986 2.743 966 HD22 LEU 27 HD22 LEU 27 -2.289 15.509 2.207 967 HD23 LEU 27 HD23 LEU 27 -2.484 16.688 3.529 968 H THR 28 H THR 28 0.482 20.937 2.343 969 HA THR 28 HA THR 28 3.153 19.760 1.797 970 HB THR 28 HB THR 28 3.743 21.556 0.312 971 HG1 THR 28 HG1 THR 28 2.132 22.993 -0.438 972 HG21 THR 28 HG21 THR 28 2.341 20.980 -1.641 973 HG22 THR 28 HG22 THR 28 2.760 19.540 -0.691 974 HG23 THR 28 HG23 THR 28 1.137 20.258 -0.553 975 H LEU 29 H LEU 29 5.008 20.979 2.529 976 HA LEU 29 HA LEU 29 4.489 23.077 4.495 977 HB2 LEU 29 HB1 LEU 29 4.751 21.972 6.419 978 HB3 LEU 29 HB2 LEU 29 4.016 20.675 5.447 979 HG LEU 29 HG LEU 29 6.910 20.940 6.269 980 HD11 LEU 29 HD11 LEU 29 6.402 18.863 7.539 981 HD12 LEU 29 HD12 LEU 29 5.322 20.191 8.020 982 HD13 LEU 29 HD13 LEU 29 4.729 18.909 6.938 983 HD21 LEU 29 HD21 LEU 29 7.295 18.724 5.251 984 HD22 LEU 29 HD22 LEU 29 5.638 18.737 4.614 985 HD23 LEU 29 HD23 LEU 29 6.827 19.928 4.033 986 H SER 30 H SER 30 6.629 23.633 5.739 987 HA SER 30 HA SER 30 8.653 24.133 3.792 988 HB2 SER 30 HB1 SER 30 9.927 24.578 6.163 989 HB3 SER 30 HB2 SER 30 8.844 25.742 5.363 990 HG SER 30 HG SER 30 8.314 25.413 7.578 991 H ARG 31 H ARG 31 10.476 23.041 3.201 992 HA ARG 31 HA ARG 31 11.058 20.389 4.013 993 HB2 ARG 31 HB1 ARG 31 11.657 21.422 1.871 994 HB3 ARG 31 HB2 ARG 31 12.839 22.460 2.705 995 HG2 ARG 31 HG1 ARG 31 14.286 20.659 3.146 996 HG3 ARG 31 HG2 ARG 31 13.017 19.445 2.852 997 HD2 ARG 31 HD1 ARG 31 13.030 20.584 0.418 998 HD3 ARG 31 HD2 ARG 31 14.692 20.994 0.890 999 HE ARG 31 HE ARG 31 15.206 18.634 1.012 1000 HH11 ARG 31 HH12 ARG 31 12.226 19.406 -0.716 1001 HH12 ARG 31 HH11 ARG 31 12.075 17.810 -1.402 1002 HH21 ARG 31 HH22 ARG 31 14.843 16.505 0.177 1003 HH22 ARG 31 HH21 ARG 31 13.512 16.217 -0.911 1004 H LYS 32 H LYS 32 11.935 23.424 5.587 1005 HA LYS 32 HA LYS 32 13.716 22.299 7.515 1006 HB2 LYS 32 HB1 LYS 32 13.492 24.715 7.074 1007 HB3 LYS 32 HB2 LYS 32 11.837 24.680 7.732 1008 HG2 LYS 32 HG1 LYS 32 14.004 23.619 9.500 1009 HG3 LYS 32 HG2 LYS 32 14.001 25.375 9.206 1010 HD2 LYS 32 HD1 LYS 32 11.921 25.679 10.198 1011 HD3 LYS 32 HD2 LYS 32 11.439 23.985 9.946 1012 HE2 LYS 32 HE1 LYS 32 13.104 23.326 11.714 1013 HE3 LYS 32 HE2 LYS 32 13.371 25.055 12.032 1014 HZ1 LYS 32 HZ1 LYS 32 11.731 24.121 13.504 1015 HZ2 LYS 32 HZ2 LYS 32 11.034 25.257 12.530 1016 HZ3 LYS 32 HZ3 LYS 32 10.786 23.653 12.234 1017 H GLU 33 H GLU 33 10.128 22.636 7.521 1018 HA GLU 33 HA GLU 33 9.746 21.620 10.140 1019 HB2 GLU 33 HB1 GLU 33 8.059 22.231 7.793 1020 HB3 GLU 33 HB2 GLU 33 7.411 20.995 8.897 1021 HG2 GLU 33 HG1 GLU 33 6.790 23.493 9.280 1022 HG3 GLU 33 HG2 GLU 33 7.232 22.487 10.676 1023 H LEU 34 H LEU 34 9.820 19.831 6.940 1024 HA LEU 34 HA LEU 34 9.287 17.297 8.031 1025 HB2 LEU 34 HB1 LEU 34 9.483 17.729 5.604 1026 HB3 LEU 34 HB2 LEU 34 11.241 17.940 5.789 1027 HG LEU 34 HG LEU 34 11.344 15.621 6.749 1028 HD11 LEU 34 HD11 LEU 34 9.460 14.060 6.370 1029 HD12 LEU 34 HD12 LEU 34 8.992 15.398 7.439 1030 HD13 LEU 34 HD13 LEU 34 8.488 15.402 5.732 1031 HD21 LEU 34 HD21 LEU 34 11.139 14.366 4.632 1032 HD22 LEU 34 HD22 LEU 34 10.207 15.708 3.939 1033 HD23 LEU 34 HD23 LEU 34 11.914 15.943 4.385 1034 H LYS 35 H LYS 35 12.462 19.014 7.895 1035 HA LYS 35 HA LYS 35 14.011 16.916 8.996 1036 HB2 LYS 35 HB1 LYS 35 15.600 18.360 8.471 1037 HB3 LYS 35 HB2 LYS 35 14.358 19.589 8.133 1038 HG2 LYS 35 HG1 LYS 35 14.508 20.447 10.377 1039 HG3 LYS 35 HG2 LYS 35 15.599 19.125 10.858 1040 HD2 LYS 35 HD1 LYS 35 16.671 21.383 10.490 1041 HD3 LYS 35 HD2 LYS 35 17.398 20.015 9.615 1042 HE2 LYS 35 HE1 LYS 35 16.462 20.722 7.542 1043 HE3 LYS 35 HE2 LYS 35 15.396 21.899 8.342 1044 HZ1 LYS 35 HZ1 LYS 35 17.290 22.957 7.336 1045 HZ2 LYS 35 HZ2 LYS 35 17.343 23.137 8.974 1046 HZ3 LYS 35 HZ3 LYS 35 18.332 22.046 8.231 1047 H GLU 36 H GLU 36 12.086 19.441 10.634 1048 HA GLU 36 HA GLU 36 12.907 18.586 13.267 1049 HB2 GLU 36 HB1 GLU 36 12.233 20.902 12.735 1050 HB3 GLU 36 HB2 GLU 36 10.575 20.335 12.421 1051 HG2 GLU 36 HG1 GLU 36 10.215 19.738 14.662 1052 HG3 GLU 36 HG2 GLU 36 11.953 19.646 15.018 1053 H LEU 37 H LEU 37 9.918 18.118 11.367 1054 HA LEU 37 HA LEU 37 8.285 16.659 13.038 1055 HB2 LEU 37 HB1 LEU 37 7.537 17.499 10.975 1056 HB3 LEU 37 HB2 LEU 37 8.833 16.676 10.071 1057 HG LEU 37 HG LEU 37 7.709 14.535 10.411 1058 HD11 LEU 37 HD11 LEU 37 5.357 14.406 11.167 1059 HD12 LEU 37 HD12 LEU 37 6.430 14.957 12.468 1060 HD13 LEU 37 HD13 LEU 37 5.411 16.126 11.594 1061 HD21 LEU 37 HD21 LEU 37 5.826 14.976 8.842 1062 HD22 LEU 37 HD22 LEU 37 5.913 16.708 9.233 1063 HD23 LEU 37 HD23 LEU 37 7.269 15.914 8.396 1064 H ILE 38 H ILE 38 10.710 15.186 10.759 1065 HA ILE 38 HA ILE 38 10.284 12.535 11.688 1066 HB ILE 38 HB ILE 38 12.650 13.816 10.285 1067 HG12 ILE 38 HG13 ILE 38 10.308 12.169 9.242 1068 HG13 ILE 38 HG12 ILE 38 10.465 13.936 9.113 1069 HG21 ILE 38 HG21 ILE 38 13.319 11.530 9.591 1070 HG22 ILE 38 HG22 ILE 38 13.379 11.712 11.358 1071 HG23 ILE 38 HG23 ILE 38 12.022 10.848 10.598 1072 HD11 ILE 38 HD11 ILE 38 11.096 12.829 6.993 1073 HD12 ILE 38 HD12 ILE 38 12.484 13.659 7.728 1074 HD13 ILE 38 HD13 ILE 38 12.332 11.889 7.858 1075 H LYS 39 H LYS 39 12.341 15.087 13.032 1076 HA LYS 39 HA LYS 39 13.632 13.259 14.930 1077 HB2 LYS 39 HB1 LYS 39 13.859 16.198 14.242 1078 HB3 LYS 39 HB2 LYS 39 14.825 15.402 15.507 1079 HG2 LYS 39 HG1 LYS 39 14.828 14.683 12.559 1080 HG3 LYS 39 HG2 LYS 39 16.058 15.667 13.387 1081 HD2 LYS 39 HD1 LYS 39 17.214 13.780 13.628 1082 HD3 LYS 39 HD2 LYS 39 16.020 13.328 14.866 1083 HE2 LYS 39 HE1 LYS 39 15.338 12.673 12.040 1084 HE3 LYS 39 HE2 LYS 39 16.668 11.752 12.778 1085 HZ1 LYS 39 HZ1 LYS 39 14.564 10.659 13.063 1086 HZ2 LYS 39 HZ2 LYS 39 15.171 11.116 14.526 1087 HZ3 LYS 39 HZ3 LYS 39 13.938 11.970 13.841 1088 H LYS 40 H LYS 40 10.823 15.336 14.958 1089 HA LYS 40 HA LYS 40 10.524 15.207 17.873 1090 HB2 LYS 40 HB1 LYS 40 8.812 16.110 15.534 1091 HB3 LYS 40 HB2 LYS 40 8.201 16.071 17.205 1092 HG2 LYS 40 HG1 LYS 40 10.532 17.742 16.190 1093 HG3 LYS 40 HG2 LYS 40 8.901 18.336 16.583 1094 HD2 LYS 40 HD1 LYS 40 9.413 17.117 18.894 1095 HD3 LYS 40 HD2 LYS 40 11.097 17.403 18.396 1096 HE2 LYS 40 HE1 LYS 40 8.968 19.561 18.596 1097 HE3 LYS 40 HE2 LYS 40 10.139 19.182 19.877 1098 HZ1 LYS 40 HZ1 LYS 40 10.836 21.047 18.559 1099 HZ2 LYS 40 HZ2 LYS 40 11.887 19.792 18.373 1100 HZ3 LYS 40 HZ3 LYS 40 10.800 20.143 17.183 1101 H GLU 41 H GLU 41 9.470 13.489 15.016 1102 HA GLU 41 HA GLU 41 7.604 11.678 16.274 1103 HB2 GLU 41 HB1 GLU 41 9.035 11.763 13.598 1104 HB3 GLU 41 HB2 GLU 41 7.918 10.454 14.055 1105 HG2 GLU 41 HG1 GLU 41 6.076 12.060 14.232 1106 HG3 GLU 41 HG2 GLU 41 7.183 13.396 13.840 1107 H LEU 42 H LEU 42 10.841 11.089 14.706 1108 HA LEU 42 HA LEU 42 10.823 8.394 15.973 1109 HB2 LEU 42 HB1 LEU 42 10.996 9.078 13.351 1110 HB3 LEU 42 HB2 LEU 42 12.722 9.091 13.784 1111 HG LEU 42 HG LEU 42 10.829 6.753 14.207 1112 HD11 LEU 42 HD11 LEU 42 12.031 5.717 12.299 1113 HD12 LEU 42 HD12 LEU 42 11.229 7.228 11.812 1114 HD13 LEU 42 HD13 LEU 42 12.986 7.203 12.097 1115 HD21 LEU 42 HD21 LEU 42 12.878 5.426 14.626 1116 HD22 LEU 42 HD22 LEU 42 13.861 6.897 14.453 1117 HD23 LEU 42 HD23 LEU 42 12.709 6.746 15.803 1118 H CYS 43 H CYS 43 12.143 8.120 17.675 1119 HA CYS 43 HA CYS 43 13.571 10.326 18.714 1120 HB2 CYS 43 HB1 CYS 43 14.001 8.930 20.599 1121 HB3 CYS 43 HB2 CYS 43 12.403 8.463 19.966 1122 HG CYS 43 HG CYS 43 13.697 6.333 20.773 1123 H LEU 44 H LEU 44 14.730 8.116 16.386 1124 HA LEU 44 HA LEU 44 17.477 7.986 16.962 1125 HB2 LEU 44 HB1 LEU 44 16.054 6.741 15.261 1126 HB3 LEU 44 HB2 LEU 44 16.198 8.182 14.227 1127 HG LEU 44 HG LEU 44 18.650 6.831 15.349 1128 HD11 LEU 44 HD11 LEU 44 18.723 5.430 13.302 1129 HD12 LEU 44 HD12 LEU 44 17.263 5.091 14.260 1130 HD13 LEU 44 HD13 LEU 44 17.152 6.096 12.796 1131 HD21 LEU 44 HD21 LEU 44 19.750 7.666 13.291 1132 HD22 LEU 44 HD22 LEU 44 18.205 8.356 12.754 1133 HD23 LEU 44 HD23 LEU 44 19.008 8.991 14.211 1134 H GLY 45 H GLY 45 17.816 10.337 17.918 1135 HA2 GLY 45 HA2 GLY 45 19.415 10.355 15.799 1136 H GLU 46 H GLU 46 20.311 10.089 19.097 1137 HA GLU 46 HA GLU 46 22.185 8.077 18.466 1138 HB2 GLU 46 HB1 GLU 46 21.699 7.175 20.710 1139 HB3 GLU 46 HB2 GLU 46 22.001 8.930 20.699 1140 HG2 GLU 46 HG1 GLU 46 19.545 9.314 20.850 1141 HG3 GLU 46 HG2 GLU 46 19.302 7.557 20.963 1142 H MET 47 H MET 47 22.002 6.400 17.377 1143 HA MET 47 HA MET 47 20.975 4.059 18.032 1144 HB2 MET 47 HB1 MET 47 18.682 5.217 17.104 1145 HB3 MET 47 HB2 MET 47 19.283 4.406 15.638 1146 HG2 MET 47 HG1 MET 47 19.779 2.423 17.279 1147 HG3 MET 47 HG2 MET 47 18.615 3.237 18.336 1148 HE1 MET 47 HE1 MET 47 15.293 3.086 16.139 1149 HE2 MET 47 HE2 MET 47 16.002 3.616 17.678 1150 HE3 MET 47 HE3 MET 47 16.490 4.398 16.157 1151 H LYS 48 H LYS 48 21.173 5.796 14.926 1152 HA LYS 48 HA LYS 48 23.542 4.229 14.021 1153 HB2 LYS 48 HB1 LYS 48 20.928 5.075 12.857 1154 HB3 LYS 48 HB2 LYS 48 22.339 5.432 11.831 1155 HG2 LYS 48 HG1 LYS 48 21.307 3.307 11.297 1156 HG3 LYS 48 HG2 LYS 48 22.997 3.152 11.833 1157 HD2 LYS 48 HD1 LYS 48 21.619 1.274 12.540 1158 HD3 LYS 48 HD2 LYS 48 22.277 2.177 13.926 1159 HE2 LYS 48 HE1 LYS 48 20.166 3.185 14.393 1160 HE3 LYS 48 HE2 LYS 48 19.485 2.648 12.841 1161 HZ1 LYS 48 HZ1 LYS 48 18.724 1.296 14.661 1162 HZ2 LYS 48 HZ2 LYS 48 19.639 0.395 13.628 1163 HZ3 LYS 48 HZ3 LYS 48 20.270 0.892 15.067 1164 H GLU 49 H GLU 49 25.261 5.526 13.182 1165 HA GLU 49 HA GLU 49 24.800 8.470 12.926 1166 HB2 GLU 49 HB1 GLU 49 27.274 6.966 13.866 1167 HB3 GLU 49 HB2 GLU 49 27.294 8.674 13.363 1168 HG2 GLU 49 HG1 GLU 49 25.655 9.203 15.150 1169 HG3 GLU 49 HG2 GLU 49 25.671 7.502 15.660 1170 H SER 50 H SER 50 25.712 9.420 11.095 1171 HA SER 50 HA SER 50 26.555 9.695 9.041 1172 HB2 SER 50 HB1 SER 50 28.508 8.356 9.987 1173 HB3 SER 50 HB2 SER 50 27.842 6.965 9.099 1174 HG SER 50 HG SER 50 29.387 8.147 7.869 1175 H SER 51 H SER 51 26.318 9.126 6.788 1176 HA SER 51 HA SER 51 25.196 8.520 4.955 1177 HB2 SER 51 HB1 SER 51 26.027 6.223 5.612 1178 HB3 SER 51 HB2 SER 51 24.415 5.922 6.307 1179 HG SER 51 HG SER 51 24.587 5.216 4.123 1180 H ILE 52 H ILE 52 23.088 7.317 7.665 1181 HA ILE 52 HA ILE 52 20.632 8.219 6.663 1182 HB ILE 52 HB ILE 52 19.839 8.258 8.940 1183 HG12 ILE 52 HG13 ILE 52 21.643 7.421 10.728 1184 HG13 ILE 52 HG12 ILE 52 22.699 8.449 9.732 1185 HG21 ILE 52 HG21 ILE 52 20.354 5.919 9.549 1186 HG22 ILE 52 HG22 ILE 52 20.117 6.105 7.797 1187 HG23 ILE 52 HG23 ILE 52 21.761 5.953 8.463 1188 HD11 ILE 52 HD11 ILE 52 21.766 9.720 11.645 1189 HD12 ILE 52 HD12 ILE 52 21.182 10.364 10.096 1190 HD13 ILE 52 HD13 ILE 52 20.123 9.334 11.091 1191 H ASP 53 H ASP 53 23.325 10.077 7.954 1192 HA ASP 53 HA ASP 53 21.913 12.497 8.360 1193 HB2 ASP 53 HB1 ASP 53 24.187 12.258 9.227 1194 HB3 ASP 53 HB2 ASP 53 24.827 12.182 7.570 1195 H ASP 54 H ASP 54 23.352 11.189 5.184 1196 HA ASP 54 HA ASP 54 23.104 13.829 4.098 1197 HB2 ASP 54 HB1 ASP 54 24.603 12.133 3.081 1198 HB3 ASP 54 HB2 ASP 54 23.166 11.348 2.391 1199 H LEU 55 H LEU 55 20.755 11.272 4.445 1200 HA LEU 55 HA LEU 55 18.693 12.294 2.791 1201 HB2 LEU 55 HB1 LEU 55 18.378 10.987 5.511 1202 HB3 LEU 55 HB2 LEU 55 17.177 11.059 4.200 1203 HG LEU 55 HG LEU 55 19.764 9.481 4.246 1204 HD11 LEU 55 HD11 LEU 55 18.233 7.543 4.103 1205 HD12 LEU 55 HD12 LEU 55 17.895 8.531 5.544 1206 HD13 LEU 55 HD13 LEU 55 16.837 8.645 4.118 1207 HD21 LEU 55 HD21 LEU 55 19.144 8.638 2.008 1208 HD22 LEU 55 HD22 LEU 55 17.758 9.750 1.974 1209 HD23 LEU 55 HD23 LEU 55 19.417 10.394 1.987 1210 H MET 56 H MET 56 19.141 12.807 6.319 1211 HA MET 56 HA MET 56 17.419 14.992 6.691 1212 HB2 MET 56 HB1 MET 56 19.944 14.007 8.037 1213 HB3 MET 56 HB2 MET 56 19.145 15.497 8.595 1214 HG2 MET 56 HG1 MET 56 17.871 12.752 8.395 1215 HG3 MET 56 HG2 MET 56 18.454 13.515 9.884 1216 HE1 MET 56 HE1 MET 56 15.927 16.699 9.887 1217 HE2 MET 56 HE2 MET 56 17.438 16.066 10.580 1218 HE3 MET 56 HE3 MET 56 17.389 16.587 8.878 1219 H LYS 57 H LYS 57 20.780 14.924 5.606 1220 HA LYS 57 HA LYS 57 21.329 17.707 5.690 1221 HB2 LYS 57 HB1 LYS 57 22.898 15.690 5.646 1222 HB3 LYS 57 HB2 LYS 57 22.606 15.647 3.890 1223 HG2 LYS 57 HG1 LYS 57 24.754 16.727 4.769 1224 HG3 LYS 57 HG2 LYS 57 23.824 17.565 3.504 1225 HD2 LYS 57 HD1 LYS 57 24.423 19.262 4.945 1226 HD3 LYS 57 HD2 LYS 57 22.753 18.874 5.422 1227 HE2 LYS 57 HE1 LYS 57 25.316 18.222 6.893 1228 HE3 LYS 57 HE2 LYS 57 23.996 19.296 7.408 1229 HZ1 LYS 57 HZ1 LYS 57 23.949 17.211 8.568 1230 HZ2 LYS 57 HZ2 LYS 57 22.606 17.373 7.632 1231 HZ3 LYS 57 HZ3 LYS 57 23.830 16.377 7.155 1232 H SER 58 H SER 58 20.032 15.577 3.194 1233 HA SER 58 HA SER 58 19.749 17.463 1.091 1234 HB2 SER 58 HB1 SER 58 19.580 14.846 1.097 1235 HB3 SER 58 HB2 SER 58 17.852 15.154 1.401 1236 HG SER 58 HG SER 58 18.355 15.045 -0.842 1237 H LEU 59 H LEU 59 17.857 17.130 4.032 1238 HA LEU 59 HA LEU 59 15.737 18.892 3.007 1239 HB2 LEU 59 HB1 LEU 59 16.342 18.182 5.887 1240 HB3 LEU 59 HB2 LEU 59 14.810 18.772 5.198 1241 HG LEU 59 HG LEU 59 16.072 16.037 4.800 1242 HD11 LEU 59 HD11 LEU 59 14.032 15.258 5.963 1243 HD12 LEU 59 HD12 LEU 59 14.954 16.398 6.970 1244 HD13 LEU 59 HD13 LEU 59 13.483 16.942 6.129 1245 HD21 LEU 59 HD21 LEU 59 14.076 15.473 3.456 1246 HD22 LEU 59 HD22 LEU 59 13.517 17.155 3.583 1247 HD23 LEU 59 HD23 LEU 59 15.016 16.779 2.703 1248 H ASP 60 H ASP 60 18.368 19.057 5.353 1249 HA ASP 60 HA ASP 60 18.670 21.701 6.012 1250 HB2 ASP 60 HB1 ASP 60 20.110 19.254 6.029 1251 HB3 ASP 60 HB2 ASP 60 21.212 20.467 5.343 1252 H LYS 61 H LYS 61 19.581 20.177 2.999 1253 HA LYS 61 HA LYS 61 21.575 21.670 1.875 1254 HB2 LYS 61 HB1 LYS 61 20.037 19.520 1.262 1255 HB3 LYS 61 HB2 LYS 61 19.386 20.699 0.099 1256 HG2 LYS 61 HG1 LYS 61 20.945 19.351 -1.031 1257 HG3 LYS 61 HG2 LYS 61 21.664 20.967 -0.827 1258 HD2 LYS 61 HD1 LYS 61 23.339 19.253 -0.624 1259 HD3 LYS 61 HD2 LYS 61 23.124 20.117 0.918 1260 HE2 LYS 61 HE1 LYS 61 23.341 18.045 1.751 1261 HE3 LYS 61 HE2 LYS 61 21.594 18.000 1.439 1262 HZ1 LYS 61 HZ1 LYS 61 22.671 15.981 0.750 1263 HZ2 LYS 61 HZ2 LYS 61 22.044 16.769 -0.548 1264 HZ3 LYS 61 HZ3 LYS 61 23.667 16.812 -0.258 1265 H ASN 62 H ASN 62 18.115 22.501 1.896 1266 HA ASN 62 HA ASN 62 18.901 25.293 1.330 1267 HB2 ASN 62 HB1 ASN 62 16.626 23.816 -0.044 1268 HB3 ASN 62 HB2 ASN 62 16.874 25.573 -0.106 1269 HD21 ASN 62 HD21 ASN 62 19.004 26.322 -1.033 1270 HD22 ASN 62 HD22 ASN 62 19.723 25.365 -2.317 1271 H SER 63 H SER 63 16.238 23.104 2.318 1272 HA SER 63 HA SER 63 15.001 22.956 4.166 1273 HB2 SER 63 HB1 SER 63 16.280 25.476 5.259 1274 HB3 SER 63 HB2 SER 63 15.324 24.273 6.159 1275 HG SER 63 HG SER 63 17.588 24.015 6.458 1276 H ASP 64 H ASP 64 15.136 26.271 2.832 1277 HA ASP 64 HA ASP 64 12.474 26.815 4.037 1278 HB2 ASP 64 HB1 ASP 64 14.780 28.655 3.393 1279 HB3 ASP 64 HB2 ASP 64 13.171 29.204 3.915 1280 H GLN 65 H GLN 65 11.958 25.409 2.480 1281 HA GLN 65 HA GLN 65 11.274 26.219 -0.288 1282 HB2 GLN 65 HB1 GLN 65 13.038 24.001 0.830 1283 HB3 GLN 65 HB2 GLN 65 12.163 23.774 -0.702 1284 HG2 GLN 65 HG1 GLN 65 13.999 26.133 -0.291 1285 HG3 GLN 65 HG2 GLN 65 14.634 24.544 -0.772 1286 HE21 GLN 65 HE12 GLN 65 14.726 24.150 -2.955 1287 HE22 GLN 65 HE22 GLN 65 13.771 24.980 -4.163 1288 H GLU 66 H GLU 66 9.549 24.412 -1.085 1289 HA GLU 66 HA GLU 66 8.113 23.407 1.266 1290 HB2 GLU 66 HB1 GLU 66 7.411 23.202 -1.663 1291 HB3 GLU 66 HB2 GLU 66 6.464 22.450 -0.359 1292 HG2 GLU 66 HG1 GLU 66 6.251 24.790 0.646 1293 HG3 GLU 66 HG2 GLU 66 6.899 25.402 -0.892 1294 H ILE 67 H ILE 67 7.378 21.244 1.489 1295 HA ILE 67 HA ILE 67 8.446 19.102 -0.221 1296 HB ILE 67 HB ILE 67 8.872 19.418 2.688 1297 HG12 ILE 67 HG13 ILE 67 10.103 17.934 0.350 1298 HG13 ILE 67 HG12 ILE 67 10.698 19.402 1.163 1299 HG21 ILE 67 HG21 ILE 67 8.799 17.011 3.250 1300 HG22 ILE 67 HG22 ILE 67 7.186 17.641 2.855 1301 HG23 ILE 67 HG23 ILE 67 8.081 16.668 1.662 1302 HD11 ILE 67 HD11 ILE 67 12.073 17.440 1.746 1303 HD12 ILE 67 HD12 ILE 67 11.220 18.082 3.164 1304 HD13 ILE 67 HD13 ILE 67 10.622 16.616 2.353 1305 H ASP 68 H ASP 68 7.083 17.468 -0.558 1306 HA ASP 68 HA ASP 68 4.234 17.710 0.239 1307 HB2 ASP 68 HB1 ASP 68 4.419 17.838 -2.097 1308 HB3 ASP 68 HB2 ASP 68 5.758 16.674 -2.155 1309 H PHE 69 H PHE 69 3.070 15.793 0.677 1310 HA PHE 69 HA PHE 69 3.914 14.039 2.591 1311 HB2 PHE 69 HB1 PHE 69 1.664 14.334 0.749 1312 HB3 PHE 69 HB2 PHE 69 1.981 12.626 1.098 1313 HD1 PHE 69 HD2 PHE 69 1.898 11.792 3.463 1314 HD2 PHE 69 HD1 PHE 69 0.722 15.789 2.382 1315 HE1 PHE 69 HE2 PHE 69 0.762 12.056 5.664 1316 HE2 PHE 69 HE1 PHE 69 -0.409 16.051 4.577 1317 HZ PHE 69 HZ PHE 69 -0.357 14.200 6.227 1318 H LYS 70 H LYS 70 4.705 13.644 -0.829 1319 HA LYS 70 HA LYS 70 4.924 10.716 -0.613 1320 HB2 LYS 70 HB1 LYS 70 3.998 12.285 -2.521 1321 HB3 LYS 70 HB2 LYS 70 5.713 12.358 -2.990 1322 HG2 LYS 70 HG1 LYS 70 5.782 10.006 -3.417 1323 HG3 LYS 70 HG2 LYS 70 4.189 9.755 -2.665 1324 HD2 LYS 70 HD1 LYS 70 3.349 11.480 -4.473 1325 HD3 LYS 70 HD2 LYS 70 4.860 11.068 -5.317 1326 HE2 LYS 70 HE1 LYS 70 4.260 8.716 -5.360 1327 HE3 LYS 70 HE2 LYS 70 2.831 9.018 -4.350 1328 HZ1 LYS 70 HZ1 LYS 70 2.253 8.787 -6.660 1329 HZ2 LYS 70 HZ2 LYS 70 1.917 10.315 -6.142 1330 HZ3 LYS 70 HZ3 LYS 70 3.245 10.033 -7.081 1331 H GLU 71 H GLU 71 7.120 13.539 -1.233 1332 HA GLU 71 HA GLU 71 9.576 12.209 -0.963 1333 HB2 GLU 71 HB1 GLU 71 8.723 14.866 0.249 1334 HB3 GLU 71 HB2 GLU 71 10.399 14.275 0.185 1335 HG2 GLU 71 HG1 GLU 71 9.735 14.081 -2.436 1336 HG3 GLU 71 HG2 GLU 71 8.694 15.438 -1.957 1337 H TYR 72 H TYR 72 7.142 13.097 1.469 1338 HA TYR 72 HA TYR 72 8.800 12.649 3.765 1339 HB2 TYR 72 HB1 TYR 72 7.122 14.151 4.101 1340 HB3 TYR 72 HB2 TYR 72 5.937 13.214 3.174 1341 HD1 TYR 72 HD2 TYR 72 7.957 12.573 6.306 1342 HD2 TYR 72 HD1 TYR 72 4.103 12.598 4.388 1343 HE1 TYR 72 HE2 TYR 72 6.870 12.099 8.491 1344 HE2 TYR 72 HE1 TYR 72 3.017 12.062 6.555 1345 HH TYR 72 HH TYR 72 4.913 11.762 9.597 1346 H SER 73 H SER 73 6.267 10.585 2.221 1347 HA SER 73 HA SER 73 6.727 8.389 3.996 1348 HB2 SER 73 HB1 SER 73 5.360 7.109 2.404 1349 HB3 SER 73 HB2 SER 73 4.625 8.673 2.832 1350 HG SER 73 HG SER 73 4.524 8.229 0.588 1351 H VAL 74 H VAL 74 8.199 9.102 0.727 1352 HA VAL 74 HA VAL 74 9.593 6.591 0.767 1353 HB VAL 74 HB VAL 74 11.021 7.343 -0.970 1354 HG11 VAL 74 HG11 VAL 74 9.349 7.694 -2.720 1355 HG12 VAL 74 HG12 VAL 74 8.826 6.493 -1.521 1356 HG13 VAL 74 HG13 VAL 74 8.158 8.143 -1.480 1357 HG21 VAL 74 HG21 VAL 74 10.923 9.530 -2.070 1358 HG22 VAL 74 HG22 VAL 74 9.812 10.098 -0.809 1359 HG23 VAL 74 HG23 VAL 74 11.482 9.643 -0.391 1360 H PHE 75 H PHE 75 10.364 9.753 2.160 1361 HA PHE 75 HA PHE 75 13.107 9.170 2.784 1362 HB2 PHE 75 HB1 PHE 75 11.949 11.422 2.689 1363 HB3 PHE 75 HB2 PHE 75 11.186 11.010 4.233 1364 HD1 PHE 75 HD2 PHE 75 13.022 10.184 6.118 1365 HD2 PHE 75 HD1 PHE 75 13.815 12.726 2.734 1366 HE1 PHE 75 HE2 PHE 75 14.914 11.224 7.338 1367 HE2 PHE 75 HE1 PHE 75 15.675 13.789 3.974 1368 HZ PHE 75 HZ PHE 75 16.195 13.078 6.298 1369 H LEU 76 H LEU 76 10.062 8.956 4.788 1370 HA LEU 76 HA LEU 76 11.294 7.842 7.077 1371 HB2 LEU 76 HB1 LEU 76 8.509 7.636 5.912 1372 HB3 LEU 76 HB2 LEU 76 8.949 6.922 7.483 1373 HG LEU 76 HG LEU 76 9.034 9.876 6.752 1374 HD11 LEU 76 HD11 LEU 76 7.171 9.983 8.371 1375 HD12 LEU 76 HD12 LEU 76 6.785 8.885 7.021 1376 HD13 LEU 76 HD13 LEU 76 7.261 8.217 8.600 1377 HD21 LEU 76 HD21 LEU 76 9.601 10.258 9.123 1378 HD22 LEU 76 HD22 LEU 76 9.707 8.501 9.384 1379 HD23 LEU 76 HD23 LEU 76 10.865 9.312 8.303 1380 H THR 77 H THR 77 9.838 6.207 4.247 1381 HA THR 77 HA THR 77 10.393 3.524 4.883 1382 HB THR 77 HB THR 77 10.392 4.983 2.218 1383 HG1 THR 77 HG1 THR 77 8.265 4.131 2.198 1384 HG21 THR 77 HG21 THR 77 9.918 2.777 1.201 1385 HG22 THR 77 HG22 THR 77 11.507 2.790 1.997 1386 HG23 THR 77 HG23 THR 77 10.121 2.006 2.791 1387 H MET 78 H MET 78 12.457 5.870 3.112 1388 HA MET 78 HA MET 78 14.652 4.105 2.690 1389 HB2 MET 78 HB1 MET 78 14.040 6.077 1.368 1390 HB3 MET 78 HB2 MET 78 14.427 7.127 2.752 1391 HG2 MET 78 HG1 MET 78 16.694 6.901 2.467 1392 HG3 MET 78 HG2 MET 78 16.551 5.348 1.629 1393 HE1 MET 78 HE1 MET 78 15.454 9.447 -0.283 1394 HE2 MET 78 HE2 MET 78 14.461 8.638 0.951 1395 HE3 MET 78 HE3 MET 78 16.078 9.254 1.372 1396 H LEU 79 H LEU 79 13.972 6.368 5.346 1397 HA LEU 79 HA LEU 79 16.561 6.060 6.592 1398 HB2 LEU 79 HB1 LEU 79 15.263 8.095 6.872 1399 HB3 LEU 79 HB2 LEU 79 13.920 7.175 7.592 1400 HG LEU 79 HG LEU 79 15.315 6.588 9.515 1401 HD11 LEU 79 HD11 LEU 79 17.568 7.568 9.843 1402 HD12 LEU 79 HD12 LEU 79 17.526 6.509 8.417 1403 HD13 LEU 79 HD13 LEU 79 17.493 8.276 8.215 1404 HD21 LEU 79 HD21 LEU 79 15.522 8.850 10.507 1405 HD22 LEU 79 HD22 LEU 79 15.409 9.570 8.885 1406 HD23 LEU 79 HD23 LEU 79 14.019 8.694 9.569 1407 H CYS 80 H CYS 80 13.300 4.565 7.167 1408 HA CYS 80 HA CYS 80 14.258 3.070 9.448 1409 HB2 CYS 80 HB1 CYS 80 11.854 3.830 8.718 1410 HB3 CYS 80 HB2 CYS 80 11.849 2.290 7.821 1411 HG CYS 80 HG CYS 80 10.600 1.994 10.103 1412 H MET 81 H MET 81 13.946 2.297 5.961 1413 HA MET 81 HA MET 81 14.984 -0.357 6.134 1414 HB2 MET 81 HB1 MET 81 13.743 0.889 4.216 1415 HB3 MET 81 HB2 MET 81 15.371 1.433 3.745 1416 HG2 MET 81 HG1 MET 81 15.927 -1.157 4.011 1417 HG3 MET 81 HG2 MET 81 14.188 -1.326 3.718 1418 HE1 MET 81 HE1 MET 81 17.487 -0.017 0.860 1419 HE2 MET 81 HE2 MET 81 17.268 0.750 2.455 1420 HE3 MET 81 HE3 MET 81 17.625 -0.991 2.347 1421 H ALA 82 H ALA 82 16.648 2.721 6.490 1422 HA ALA 82 HA ALA 82 19.216 1.887 5.621 1423 HB1 ALA 82 HB1 ALA 82 20.052 3.834 6.885 1424 HB2 ALA 82 HB2 ALA 82 18.599 4.236 5.941 1425 HB3 ALA 82 HB3 ALA 82 18.477 3.976 7.697 1426 H TYR 83 H TYR 83 17.513 0.598 8.269 1427 HA TYR 83 HA TYR 83 19.919 -0.594 9.378 1428 HB2 TYR 83 HB1 TYR 83 19.457 0.299 11.691 1429 HB3 TYR 83 HB2 TYR 83 20.108 1.454 10.518 1430 HD1 TYR 83 HD1 TYR 83 16.828 0.333 12.024 1431 HD2 TYR 83 HD2 TYR 83 19.119 3.525 10.264 1432 HE1 TYR 83 HE1 TYR 83 14.947 1.906 12.439 1433 HE2 TYR 83 HE2 TYR 83 17.277 5.115 10.736 1434 HH TYR 83 HH TYR 83 15.135 5.372 11.526 1435 H ASN 84 H ASN 84 16.822 -1.097 8.527 1436 HA ASN 84 HA ASN 84 16.116 -2.902 10.721 1437 HB2 ASN 84 HB1 ASN 84 14.776 -2.144 8.134 1438 HB3 ASN 84 HB2 ASN 84 14.187 -3.473 9.155 1439 HD21 ASN 84 HD21 ASN 84 12.571 -1.342 8.541 1440 HD22 ASN 84 HD22 ASN 84 12.267 -0.413 9.995 1441 H ASP 85 H ASP 85 18.270 -3.941 10.367 1442 HA ASP 85 HA ASP 85 18.894 -5.674 8.259 1443 HB2 ASP 85 HB1 ASP 85 19.524 -5.702 11.227 1444 HB3 ASP 85 HB2 ASP 85 20.210 -6.891 10.098 1445 H PHE 86 H PHE 86 16.505 -6.082 10.771 1446 HA PHE 86 HA PHE 86 16.031 -8.810 10.898 1447 HB2 PHE 86 HB1 PHE 86 13.823 -6.744 10.700 1448 HB3 PHE 86 HB2 PHE 86 13.894 -8.193 11.718 1449 HD1 PHE 86 HD1 PHE 86 15.832 -8.192 13.543 1450 HD2 PHE 86 HD2 PHE 86 14.228 -4.667 11.658 1451 HE1 PHE 86 HE1 PHE 86 16.698 -6.798 15.412 1452 HE2 PHE 86 HE2 PHE 86 15.101 -3.271 13.519 1453 HZ PHE 86 HZ PHE 86 16.331 -4.337 15.400 1454 H PHE 87 H PHE 87 15.445 -6.732 8.120 1455 HA PHE 87 HA PHE 87 13.816 -8.847 6.828 1456 HB2 PHE 87 HB1 PHE 87 14.016 -5.930 6.049 1457 HB3 PHE 87 HB2 PHE 87 12.875 -7.135 5.429 1458 HD1 PHE 87 HD1 PHE 87 11.701 -8.457 7.664 1459 HD2 PHE 87 HD2 PHE 87 12.944 -4.343 7.361 1460 HE1 PHE 87 HE1 PHE 87 10.300 -7.888 9.637 1461 HE2 PHE 87 HE2 PHE 87 11.529 -3.777 9.324 1462 HZ PHE 87 HZ PHE 87 10.254 -5.560 10.495 1463 H LEU 88 H LEU 88 16.956 -8.002 6.963 1464 HA LEU 88 HA LEU 88 17.563 -8.967 4.212 1465 HB2 LEU 88 HB1 LEU 88 19.108 -7.563 6.409 1466 HB3 LEU 88 HB2 LEU 88 19.924 -8.356 5.039 1467 HG LEU 88 HG LEU 88 19.706 -5.926 4.814 1468 HD11 LEU 88 HD11 LEU 88 18.973 -5.916 2.455 1469 HD12 LEU 88 HD12 LEU 88 19.950 -7.346 2.838 1470 HD13 LEU 88 HD13 LEU 88 18.180 -7.486 2.705 1471 HD21 LEU 88 HD21 LEU 88 17.597 -4.818 4.193 1472 HD22 LEU 88 HD22 LEU 88 16.726 -6.328 4.508 1473 HD23 LEU 88 HD23 LEU 88 17.546 -5.475 5.838 1474 H GLU 89 H GLU 89 20.113 -10.140 5.294 1475 HA GLU 89 HA GLU 89 19.155 -12.328 7.049 1476 HB2 GLU 89 HB1 GLU 89 19.584 -12.594 4.284 1477 HB3 GLU 89 HB2 GLU 89 21.060 -13.251 5.031 1478 HG2 GLU 89 HG1 GLU 89 19.493 -15.058 4.750 1479 HG3 GLU 89 HG2 GLU 89 19.613 -14.690 6.484 1480 H ASP 90 H ASP 90 21.847 -10.369 5.802 1481 HA ASP 90 HA ASP 90 23.379 -10.598 8.225 1482 HB2 ASP 90 HB1 ASP 90 23.931 -12.787 7.288 1483 HB3 ASP 90 HB2 ASP 90 24.474 -12.023 5.780 1484 H ASN 91 H ASN 91 25.622 -10.154 5.758 1485 HA ASN 91 HA ASN 91 25.817 -7.380 6.538 1486 HB2 ASN 91 HB1 ASN 91 27.662 -9.105 6.489 1487 HB3 ASN 91 HB2 ASN 91 27.658 -8.940 4.719 1488 HD21 ASN 91 HD21 ASN 91 28.916 -7.359 3.847 1489 HD22 ASN 91 HD22 ASN 91 29.603 -6.008 4.733 1490 H LYS 92 H LYS 92 23.883 -8.494 4.269 1491 HA LYS 92 HA LYS 92 22.348 -7.043 3.434 1492 HB2 LYS 92 HB1 LYS 92 24.490 -5.056 2.706 1493 HB3 LYS 92 HB2 LYS 92 22.727 -4.845 2.591 1494 HG2 LYS 92 HG1 LYS 92 24.387 -5.054 5.124 1495 HG3 LYS 92 HG2 LYS 92 23.564 -3.609 4.489 1496 HD2 LYS 92 HD1 LYS 92 21.408 -4.511 4.972 1497 HD3 LYS 92 HD2 LYS 92 22.083 -6.126 5.299 1498 HE2 LYS 92 HE1 LYS 92 22.789 -3.691 6.957 1499 HE3 LYS 92 HE2 LYS 92 21.396 -4.731 7.326 1500 HZ1 LYS 92 HZ1 LYS 92 23.332 -5.362 8.580 1501 HZ2 LYS 92 HZ2 LYS 92 22.909 -6.571 7.544 1502 HZ3 LYS 92 HZ3 LYS 92 24.201 -5.606 7.203 Start of MODEL 5 1 HA MET 1 HA MET 1 6.228 1.514 22.074 2 HB2 MET 1 HB1 MET 1 4.577 2.725 24.295 3 HB3 MET 1 HB2 MET 1 4.488 3.264 22.602 4 HG2 MET 1 HG1 MET 1 4.050 0.821 21.993 5 HG3 MET 1 HG2 MET 1 3.838 0.521 23.726 6 HE1 MET 1 HE1 MET 1 0.356 1.603 24.563 7 HE2 MET 1 HE2 MET 1 1.542 0.280 24.638 8 HE3 MET 1 HE3 MET 1 1.980 1.903 25.221 9 H GLU 2 H GLU 2 7.000 3.393 21.033 10 HA GLU 2 HA GLU 2 9.327 4.378 22.637 11 HB2 GLU 2 HB1 GLU 2 9.182 3.507 19.718 12 HB3 GLU 2 HB2 GLU 2 10.645 4.028 20.588 13 HG2 GLU 2 HG1 GLU 2 10.656 1.615 20.307 14 HG3 GLU 2 HG2 GLU 2 10.490 2.024 22.029 15 H THR 3 H THR 3 7.332 4.962 19.739 16 HA THR 3 HA THR 3 7.164 7.826 20.120 17 HB THR 3 HB THR 3 8.606 8.606 18.678 18 HG1 THR 3 HG1 THR 3 8.620 7.964 16.481 19 HG21 THR 3 HG21 THR 3 10.455 7.277 17.726 20 HG22 THR 3 HG22 THR 3 10.148 6.860 19.421 21 HG23 THR 3 HG23 THR 3 9.570 5.792 18.121 22 HA PRO 4 HA PRO 4 3.352 6.833 18.227 23 HB2 PRO 4 HB1 PRO 4 2.477 9.157 17.062 24 HB3 PRO 4 HB2 PRO 4 2.602 8.926 18.836 25 HG2 PRO 4 HG1 PRO 4 4.607 10.253 16.998 26 HG3 PRO 4 HG2 PRO 4 3.964 10.876 18.552 27 HD2 PRO 4 HD1 PRO 4 6.361 9.572 18.398 28 HD3 PRO 4 HD2 PRO 4 5.266 9.327 19.793 29 H LEU 5 H LEU 5 5.425 8.683 15.813 30 HA LEU 5 HA LEU 5 4.141 7.454 13.575 31 HB2 LEU 5 HB1 LEU 5 5.608 9.478 13.448 32 HB3 LEU 5 HB2 LEU 5 7.013 8.416 13.697 33 HG LEU 5 HG LEU 5 6.704 9.028 11.369 34 HD11 LEU 5 HD11 LEU 5 6.804 6.882 10.179 35 HD12 LEU 5 HD12 LEU 5 7.764 6.877 11.668 36 HD13 LEU 5 HD13 LEU 5 6.176 6.073 11.623 37 HD21 LEU 5 HD21 LEU 5 4.781 8.290 10.015 38 HD22 LEU 5 HD22 LEU 5 4.042 7.588 11.468 39 HD23 LEU 5 HD23 LEU 5 4.290 9.347 11.353 40 H GLU 6 H GLU 6 6.979 6.466 15.542 41 HA GLU 6 HA GLU 6 7.843 4.297 14.004 42 HB2 GLU 6 HB1 GLU 6 9.126 5.053 15.803 43 HB3 GLU 6 HB2 GLU 6 7.786 4.843 16.957 44 HG2 GLU 6 HG1 GLU 6 9.883 3.259 16.930 45 HG3 GLU 6 HG2 GLU 6 8.255 2.672 17.331 46 H LYS 7 H LYS 7 4.951 4.408 16.243 47 HA LYS 7 HA LYS 7 4.552 1.587 15.817 48 HB2 LYS 7 HB1 LYS 7 2.506 3.549 16.813 49 HB3 LYS 7 HB2 LYS 7 2.482 1.776 16.970 50 HG2 LYS 7 HG1 LYS 7 3.809 3.831 18.598 51 HG3 LYS 7 HG2 LYS 7 3.171 2.229 19.041 52 HD2 LYS 7 HD1 LYS 7 5.895 2.848 17.885 53 HD3 LYS 7 HD2 LYS 7 5.518 2.381 19.560 54 HE2 LYS 7 HE1 LYS 7 5.051 0.147 18.954 55 HE3 LYS 7 HE2 LYS 7 4.895 0.551 17.231 56 HZ1 LYS 7 HZ1 LYS 7 6.964 -0.550 17.702 57 HZ2 LYS 7 HZ2 LYS 7 7.247 0.992 17.187 58 HZ3 LYS 7 HZ3 LYS 7 7.391 0.616 18.787 59 H ALA 8 H ALA 8 3.523 4.384 13.898 60 HA ALA 8 HA ALA 8 1.900 2.903 12.069 61 HB1 ALA 8 HB1 ALA 8 2.464 4.693 10.457 62 HB2 ALA 8 HB2 ALA 8 2.024 5.368 12.042 63 HB3 ALA 8 HB3 ALA 8 3.733 5.281 11.557 64 H LEU 9 H LEU 9 5.447 3.761 11.838 65 HA LEU 9 HA LEU 9 6.008 2.108 9.669 66 HB2 LEU 9 HB1 LEU 9 7.383 3.799 11.423 67 HB3 LEU 9 HB2 LEU 9 8.237 2.240 11.515 68 HG LEU 9 HG LEU 9 9.235 3.672 9.847 69 HD11 LEU 9 HD11 LEU 9 9.203 2.147 7.898 70 HD12 LEU 9 HD12 LEU 9 9.260 1.252 9.431 71 HD13 LEU 9 HD13 LEU 9 7.729 1.383 8.532 72 HD21 LEU 9 HD21 LEU 9 8.083 4.360 7.768 73 HD22 LEU 9 HD22 LEU 9 6.571 3.666 8.387 74 HD23 LEU 9 HD23 LEU 9 7.316 5.061 9.206 75 H THR 10 H THR 10 6.137 1.023 13.165 76 HA THR 10 HA THR 10 7.046 -1.584 12.655 77 HB THR 10 HB THR 10 4.843 -1.527 14.604 78 HG1 THR 10 HG1 THR 10 6.055 -0.404 16.156 79 HG21 THR 10 HG21 THR 10 6.545 -2.682 15.970 80 HG22 THR 10 HG22 THR 10 6.428 -3.388 14.342 81 HG23 THR 10 HG23 THR 10 7.778 -2.301 14.746 82 H THR 11 H THR 11 3.663 -0.359 12.667 83 HA THR 11 HA THR 11 2.360 -2.799 12.042 84 HB THR 11 HB THR 11 1.513 0.019 11.286 85 HG1 THR 11 HG1 THR 11 0.400 -0.115 13.299 86 HG21 THR 11 HG21 THR 11 -0.800 -0.873 11.454 87 HG22 THR 11 HG22 THR 11 0.130 -1.734 10.211 88 HG23 THR 11 HG23 THR 11 -0.145 -2.487 11.799 89 H MET 12 H MET 12 3.881 -0.337 9.954 90 HA MET 12 HA MET 12 2.971 -1.504 7.489 91 HB2 MET 12 HB1 MET 12 5.156 0.497 8.117 92 HB3 MET 12 HB2 MET 12 4.737 -0.020 6.466 93 HG2 MET 12 HG1 MET 12 2.424 0.738 6.805 94 HG3 MET 12 HG2 MET 12 2.816 1.227 8.463 95 HE1 MET 12 HE1 MET 12 3.112 3.694 4.706 96 HE2 MET 12 HE2 MET 12 3.327 1.931 4.629 97 HE3 MET 12 HE3 MET 12 1.840 2.617 5.325 98 H VAL 13 H VAL 13 6.199 -1.729 9.216 99 HA VAL 13 HA VAL 13 7.166 -3.610 7.301 100 HB VAL 13 HB VAL 13 8.903 -4.265 8.862 101 HG11 VAL 13 HG11 VAL 13 10.044 -2.069 8.979 102 HG12 VAL 13 HG12 VAL 13 9.191 -2.284 7.434 103 HG13 VAL 13 HG13 VAL 13 8.488 -1.255 8.706 104 HG21 VAL 13 HG21 VAL 13 9.203 -3.160 11.044 105 HG22 VAL 13 HG22 VAL 13 7.624 -2.371 10.851 106 HG23 VAL 13 HG23 VAL 13 7.724 -4.143 10.999 107 H THR 14 H THR 14 5.131 -4.062 10.168 108 HA THR 14 HA THR 14 5.315 -6.915 10.289 109 HB THR 14 HB THR 14 3.100 -5.049 11.197 110 HG1 THR 14 HG1 THR 14 4.236 -5.340 13.179 111 HG21 THR 14 HG21 THR 14 2.509 -6.861 12.789 112 HG22 THR 14 HG22 THR 14 2.320 -7.401 11.106 113 HG23 THR 14 HG23 THR 14 3.743 -7.904 12.049 114 H THR 15 H THR 15 2.993 -4.741 8.591 115 HA THR 15 HA THR 15 1.446 -6.935 7.545 116 HB THR 15 HB THR 15 0.518 -5.106 5.979 117 HG1 THR 15 HG1 THR 15 0.882 -3.009 6.811 118 HG21 THR 15 HG21 THR 15 -0.889 -4.209 7.804 119 HG22 THR 15 HG22 THR 15 -0.640 -5.962 7.982 120 HG23 THR 15 HG23 THR 15 0.275 -4.824 8.999 121 H PHE 16 H PHE 16 4.068 -4.904 6.160 122 HA PHE 16 HA PHE 16 3.959 -6.065 3.548 123 HB2 PHE 16 HB1 PHE 16 5.024 -3.920 4.170 124 HB3 PHE 16 HB2 PHE 16 6.257 -4.808 5.081 125 HD1 PHE 16 HD1 PHE 16 7.806 -6.399 3.793 126 HD2 PHE 16 HD2 PHE 16 5.297 -3.479 1.869 127 HE1 PHE 16 HE1 PHE 16 9.199 -6.542 1.751 128 HE2 PHE 16 HE2 PHE 16 6.758 -3.549 -0.141 129 HZ PHE 16 HZ PHE 16 8.723 -5.073 -0.196 130 H HIS 17 H HIS 17 6.058 -6.874 6.409 131 HA HIS 17 HA HIS 17 7.378 -9.075 5.246 132 HB2 HIS 17 HB1 HIS 17 7.979 -7.971 7.362 133 HB3 HIS 17 HB2 HIS 17 6.530 -8.654 8.126 134 HD1 HIS 17 HD1 HIS 17 6.755 -11.679 7.518 135 HD2 HIS 17 HD2 HIS 17 10.008 -9.181 8.399 136 HE1 HIS 17 HE1 HIS 17 8.581 -13.183 8.473 137 HE2 HIS 17 HE2 HIS 17 10.586 -11.679 9.014 138 H LYS 18 H LYS 18 4.037 -8.932 6.514 139 HA LYS 18 HA LYS 18 3.614 -11.734 6.761 140 HB2 LYS 18 HB1 LYS 18 2.323 -9.789 7.725 141 HB3 LYS 18 HB2 LYS 18 1.563 -9.604 6.127 142 HG2 LYS 18 HG1 LYS 18 1.343 -12.335 7.132 143 HG3 LYS 18 HG2 LYS 18 0.637 -11.147 8.253 144 HD2 LYS 18 HD1 LYS 18 -0.634 -10.191 6.278 145 HD3 LYS 18 HD2 LYS 18 -0.066 -11.585 5.328 146 HE2 LYS 18 HE1 LYS 18 -2.263 -12.126 6.099 147 HE3 LYS 18 HE2 LYS 18 -1.128 -13.079 7.079 148 HZ1 LYS 18 HZ1 LYS 18 -2.831 -12.072 8.423 149 HZ2 LYS 18 HZ2 LYS 18 -1.357 -11.447 8.816 150 HZ3 LYS 18 HZ3 LYS 18 -2.411 -10.563 7.908 151 H TYR 19 H TYR 19 4.078 -9.972 3.830 152 HA TYR 19 HA TYR 19 2.882 -12.224 2.309 153 HB2 TYR 19 HB1 TYR 19 3.072 -9.299 1.589 154 HB3 TYR 19 HB2 TYR 19 2.723 -10.561 0.396 155 HD1 TYR 19 HD1 TYR 19 1.543 -9.019 3.572 156 HD2 TYR 19 HD2 TYR 19 0.518 -11.547 0.242 157 HE1 TYR 19 HE1 TYR 19 -0.846 -8.891 4.224 158 HE2 TYR 19 HE2 TYR 19 -1.870 -11.522 0.954 159 HH TYR 19 HH TYR 19 -3.391 -10.701 2.478 160 H SER 20 H SER 20 5.832 -10.320 2.747 161 HA SER 20 HA SER 20 7.244 -11.792 0.636 162 HB2 SER 20 HB1 SER 20 8.355 -10.160 2.956 163 HB3 SER 20 HB2 SER 20 9.178 -10.568 1.431 164 HG SER 20 HG SER 20 8.360 -8.423 1.455 165 H GLY 21 H GLY 21 7.256 -11.748 4.215 166 HA2 GLY 21 HA2 GLY 21 8.591 -14.019 3.936 167 H ARG 22 H ARG 22 8.552 -15.635 3.667 168 HA ARG 22 HA ARG 22 6.895 -17.588 4.700 169 HB2 ARG 22 HB1 ARG 22 5.094 -17.587 2.870 170 HB3 ARG 22 HB2 ARG 22 4.889 -16.488 4.255 171 HG2 ARG 22 HG1 ARG 22 5.349 -14.580 2.973 172 HG3 ARG 22 HG2 ARG 22 6.157 -15.516 1.691 173 HD2 ARG 22 HD1 ARG 22 4.147 -15.013 0.674 174 HD3 ARG 22 HD2 ARG 22 3.777 -16.596 1.392 175 HE ARG 22 HE ARG 22 3.039 -14.806 3.349 176 HH11 ARG 22 HH12 ARG 22 2.113 -15.461 0.020 177 HH12 ARG 22 HH11 ARG 22 0.575 -14.643 0.167 178 HH21 ARG 22 HH22 ARG 22 1.133 -13.625 3.470 179 HH22 ARG 22 HH21 ARG 22 0.023 -13.606 2.116 180 H GLU 23 H GLU 23 7.901 -16.064 1.629 181 HA GLU 23 HA GLU 23 9.105 -18.571 0.646 182 HB2 GLU 23 HB1 GLU 23 9.466 -15.911 -0.690 183 HB3 GLU 23 HB2 GLU 23 9.298 -17.531 -1.407 184 HG2 GLU 23 HG1 GLU 23 7.115 -15.696 -0.408 185 HG3 GLU 23 HG2 GLU 23 7.409 -16.257 -2.067 186 H GLY 24 H GLY 24 9.936 -15.397 1.989 187 HA2 GLY 24 HA2 GLY 24 11.480 -15.233 3.179 188 H SER 25 H SER 25 13.906 -13.735 1.558 189 HA SER 25 HA SER 25 14.021 -11.607 0.817 190 HB2 SER 25 HB1 SER 25 12.655 -11.165 -1.099 191 HB3 SER 25 HB2 SER 25 12.962 -12.918 -1.026 192 HG SER 25 HG SER 25 10.775 -12.416 -1.507 193 H LYS 26 H LYS 26 13.181 -11.121 3.426 194 HA LYS 26 HA LYS 26 10.415 -10.488 3.637 195 HB2 LYS 26 HB1 LYS 26 12.716 -10.030 5.548 196 HB3 LYS 26 HB2 LYS 26 11.001 -9.797 5.965 197 HG2 LYS 26 HG1 LYS 26 11.428 -11.893 6.817 198 HG3 LYS 26 HG2 LYS 26 10.722 -12.265 5.226 199 HD2 LYS 26 HD1 LYS 26 12.568 -13.766 5.736 200 HD3 LYS 26 HD2 LYS 26 12.965 -12.735 4.342 201 HE2 LYS 26 HE1 LYS 26 14.912 -12.458 5.491 202 HE3 LYS 26 HE2 LYS 26 13.967 -11.194 6.309 203 HZ1 LYS 26 HZ1 LYS 26 15.093 -12.606 7.864 204 HZ2 LYS 26 HZ2 LYS 26 13.461 -12.772 8.025 205 HZ3 LYS 26 HZ3 LYS 26 14.339 -13.944 7.267 206 H LEU 27 H LEU 27 12.698 -8.544 2.304 207 HA LEU 27 HA LEU 27 11.438 -5.974 3.075 208 HB2 LEU 27 HB1 LEU 27 14.184 -6.521 1.892 209 HB3 LEU 27 HB2 LEU 27 13.561 -4.951 2.452 210 HG LEU 27 HG LEU 27 14.168 -7.373 4.178 211 HD11 LEU 27 HD11 LEU 27 15.982 -5.956 5.093 212 HD12 LEU 27 HD12 LEU 27 16.174 -6.199 3.343 213 HD13 LEU 27 HD13 LEU 27 15.533 -4.658 3.964 214 HD21 LEU 27 HD21 LEU 27 13.723 -5.911 6.124 215 HD22 LEU 27 HD22 LEU 27 13.238 -4.603 5.024 216 HD23 LEU 27 HD23 LEU 27 12.276 -6.099 5.109 217 H THR 28 H THR 28 11.527 -8.216 0.498 218 HA THR 28 HA THR 28 10.607 -6.147 -1.422 219 HB THR 28 HB THR 28 11.630 -7.419 -3.273 220 HG1 THR 28 HG1 THR 28 13.178 -9.017 -2.724 221 HG21 THR 28 HG21 THR 28 13.995 -6.820 -2.872 222 HG22 THR 28 HG22 THR 28 12.898 -5.540 -2.310 223 HG23 THR 28 HG23 THR 28 13.651 -6.647 -1.139 224 H LEU 29 H LEU 29 9.254 -7.116 -3.249 225 HA LEU 29 HA LEU 29 8.502 -9.852 -3.245 226 HB2 LEU 29 HB1 LEU 29 6.226 -9.886 -2.716 227 HB3 LEU 29 HB2 LEU 29 7.063 -9.099 -1.356 228 HG LEU 29 HG LEU 29 5.297 -7.787 -3.438 229 HD11 LEU 29 HD11 LEU 29 3.866 -7.336 -1.455 230 HD12 LEU 29 HD12 LEU 29 4.155 -9.081 -1.653 231 HD13 LEU 29 HD13 LEU 29 5.049 -8.165 -0.416 232 HD21 LEU 29 HD21 LEU 29 5.566 -5.674 -2.177 233 HD22 LEU 29 HD22 LEU 29 6.762 -6.461 -1.126 234 HD23 LEU 29 HD23 LEU 29 7.112 -6.225 -2.856 235 H SER 30 H SER 30 6.642 -10.235 -4.967 236 HA SER 30 HA SER 30 7.365 -8.530 -7.249 237 HB2 SER 30 HB1 SER 30 6.139 -10.473 -8.495 238 HB3 SER 30 HB2 SER 30 7.770 -10.714 -7.822 239 HG SER 30 HG SER 30 6.335 -12.432 -7.311 240 H ARG 31 H ARG 31 5.566 -8.287 -9.046 241 HA ARG 31 HA ARG 31 4.132 -6.162 -7.842 242 HB2 ARG 31 HB1 ARG 31 3.462 -7.220 -10.582 243 HB3 ARG 31 HB2 ARG 31 3.353 -5.552 -9.968 244 HG2 ARG 31 HG1 ARG 31 6.041 -6.023 -9.787 245 HG3 ARG 31 HG2 ARG 31 5.604 -6.980 -11.222 246 HD2 ARG 31 HD1 ARG 31 6.242 -4.733 -11.900 247 HD3 ARG 31 HD2 ARG 31 4.509 -4.981 -12.200 248 HE ARG 31 HE ARG 31 3.981 -3.430 -10.571 249 HH11 ARG 31 HH12 ARG 31 7.530 -3.793 -10.402 250 HH12 ARG 31 HH11 ARG 31 7.708 -2.300 -9.528 251 HH21 ARG 31 HH22 ARG 31 4.345 -1.535 -9.533 252 HH22 ARG 31 HH21 ARG 31 5.956 -1.065 -9.055 253 H LYS 32 H LYS 32 2.866 -9.337 -8.995 254 HA LYS 32 HA LYS 32 0.099 -8.678 -8.627 255 HB2 LYS 32 HB1 LYS 32 1.576 -11.328 -8.535 256 HB3 LYS 32 HB2 LYS 32 -0.197 -11.165 -8.526 257 HG2 LYS 32 HG1 LYS 32 1.587 -10.149 -10.751 258 HG3 LYS 32 HG2 LYS 32 0.822 -11.756 -10.740 259 HD2 LYS 32 HD1 LYS 32 -1.043 -10.892 -11.619 260 HD3 LYS 32 HD2 LYS 32 -1.200 -9.776 -10.243 261 HE2 LYS 32 HE1 LYS 32 -0.753 -8.067 -11.611 262 HE3 LYS 32 HE2 LYS 32 0.868 -8.742 -11.883 263 HZ1 LYS 32 HZ1 LYS 32 -0.294 -8.368 -13.940 264 HZ2 LYS 32 HZ2 LYS 32 -0.023 -9.978 -13.724 265 HZ3 LYS 32 HZ3 LYS 32 -1.528 -9.353 -13.472 266 H GLU 33 H GLU 33 2.606 -9.881 -6.445 267 HA GLU 33 HA GLU 33 0.874 -10.576 -4.256 268 HB2 GLU 33 HB1 GLU 33 3.878 -10.185 -4.460 269 HB3 GLU 33 HB2 GLU 33 3.039 -10.786 -3.011 270 HG2 GLU 33 HG1 GLU 33 4.089 -12.590 -4.376 271 HG3 GLU 33 HG2 GLU 33 2.334 -12.788 -4.174 272 H LEU 34 H LEU 34 3.104 -7.754 -4.846 273 HA LEU 34 HA LEU 34 2.481 -6.163 -2.639 274 HB2 LEU 34 HB1 LEU 34 4.142 -5.486 -4.226 275 HB3 LEU 34 HB2 LEU 34 2.969 -5.511 -5.566 276 HG LEU 34 HG LEU 34 1.777 -3.588 -4.490 277 HD11 LEU 34 HD11 LEU 34 2.926 -2.273 -2.741 278 HD12 LEU 34 HD12 LEU 34 2.535 -3.910 -2.169 279 HD13 LEU 34 HD13 LEU 34 4.200 -3.510 -2.652 280 HD21 LEU 34 HD21 LEU 34 3.438 -1.887 -5.157 281 HD22 LEU 34 HD22 LEU 34 4.717 -3.122 -5.115 282 HD23 LEU 34 HD23 LEU 34 3.402 -3.244 -6.308 283 H LYS 35 H LYS 35 0.733 -6.238 -5.779 284 HA LYS 35 HA LYS 35 -1.325 -4.432 -5.127 285 HB2 LYS 35 HB1 LYS 35 -0.647 -5.273 -7.375 286 HB3 LYS 35 HB2 LYS 35 -1.380 -6.846 -6.979 287 HG2 LYS 35 HG1 LYS 35 -3.277 -4.708 -6.543 288 HG3 LYS 35 HG2 LYS 35 -2.602 -4.610 -8.187 289 HD2 LYS 35 HD1 LYS 35 -4.656 -5.915 -8.197 290 HD3 LYS 35 HD2 LYS 35 -3.269 -6.960 -8.585 291 HE2 LYS 35 HE1 LYS 35 -3.242 -7.813 -6.286 292 HE3 LYS 35 HE2 LYS 35 -4.580 -6.728 -5.850 293 HZ1 LYS 35 HZ1 LYS 35 -5.341 -8.947 -6.289 294 HZ2 LYS 35 HZ2 LYS 35 -5.956 -7.903 -7.408 295 HZ3 LYS 35 HZ3 LYS 35 -4.713 -8.910 -7.812 296 H GLU 36 H GLU 36 -1.023 -7.888 -4.422 297 HA GLU 36 HA GLU 36 -3.795 -8.168 -3.575 298 HB2 GLU 36 HB1 GLU 36 -2.472 -9.850 -4.912 299 HB3 GLU 36 HB2 GLU 36 -1.534 -10.177 -3.436 300 HG2 GLU 36 HG1 GLU 36 -3.199 -11.863 -3.601 301 HG3 GLU 36 HG2 GLU 36 -3.688 -10.765 -2.292 302 H LEU 37 H LEU 37 -0.578 -8.007 -1.885 303 HA LEU 37 HA LEU 37 -1.468 -8.253 0.763 304 HB2 LEU 37 HB1 LEU 37 0.804 -7.967 0.580 305 HB3 LEU 37 HB2 LEU 37 0.657 -6.717 -0.679 306 HG LEU 37 HG LEU 37 0.067 -5.062 1.010 307 HD11 LEU 37 HD11 LEU 37 0.367 -5.423 3.428 308 HD12 LEU 37 HD12 LEU 37 -0.959 -6.403 2.773 309 HD13 LEU 37 HD13 LEU 37 0.615 -7.153 3.127 310 HD21 LEU 37 HD21 LEU 37 2.332 -4.899 2.004 311 HD22 LEU 37 HD22 LEU 37 2.616 -6.614 1.629 312 HD23 LEU 37 HD23 LEU 37 2.403 -5.438 0.309 313 H ILE 38 H ILE 38 -1.432 -5.338 -1.332 314 HA ILE 38 HA ILE 38 -2.523 -3.606 0.624 315 HB ILE 38 HB ILE 38 -2.321 -3.391 -2.386 316 HG12 ILE 38 HG13 ILE 38 -0.850 -2.114 -0.043 317 HG13 ILE 38 HG12 ILE 38 -0.231 -3.414 -1.090 318 HG21 ILE 38 HG21 ILE 38 -2.904 -0.995 -2.144 319 HG22 ILE 38 HG22 ILE 38 -4.259 -2.040 -1.656 320 HG23 ILE 38 HG23 ILE 38 -3.249 -1.254 -0.418 321 HD11 ILE 38 HD11 ILE 38 0.785 -1.235 -1.680 322 HD12 ILE 38 HD12 ILE 38 -0.216 -1.868 -3.005 323 HD13 ILE 38 HD13 ILE 38 -0.836 -0.567 -1.959 324 H LYS 39 H LYS 39 -4.275 -5.404 -2.057 325 HA LYS 39 HA LYS 39 -6.708 -4.365 -0.816 326 HB2 LYS 39 HB1 LYS 39 -6.026 -5.501 -3.470 327 HB3 LYS 39 HB2 LYS 39 -7.713 -5.606 -2.909 328 HG2 LYS 39 HG1 LYS 39 -6.033 -3.128 -3.321 329 HG3 LYS 39 HG2 LYS 39 -7.479 -3.634 -4.228 330 HD2 LYS 39 HD1 LYS 39 -7.347 -2.556 -1.407 331 HD3 LYS 39 HD2 LYS 39 -8.027 -1.763 -2.849 332 HE2 LYS 39 HE1 LYS 39 -9.995 -2.454 -2.000 333 HE3 LYS 39 HE2 LYS 39 -9.561 -4.006 -2.749 334 HZ1 LYS 39 HZ1 LYS 39 -10.256 -4.281 -0.477 335 HZ2 LYS 39 HZ2 LYS 39 -8.672 -4.704 -0.641 336 HZ3 LYS 39 HZ3 LYS 39 -9.076 -3.264 0.055 337 H LYS 40 H LYS 40 -5.089 -7.540 -0.634 338 HA LYS 40 HA LYS 40 -7.334 -8.841 0.524 339 HB2 LYS 40 HB1 LYS 40 -4.396 -8.917 1.176 340 HB3 LYS 40 HB2 LYS 40 -5.581 -9.726 2.231 341 HG2 LYS 40 HG1 LYS 40 -4.430 -10.532 -0.333 342 HG3 LYS 40 HG2 LYS 40 -5.028 -11.501 1.035 343 HD2 LYS 40 HD1 LYS 40 -7.383 -10.954 0.169 344 HD3 LYS 40 HD2 LYS 40 -6.574 -10.410 -1.319 345 HE2 LYS 40 HE1 LYS 40 -5.310 -12.671 -1.230 346 HE3 LYS 40 HE2 LYS 40 -6.539 -13.167 -0.047 347 HZ1 LYS 40 HZ1 LYS 40 -7.125 -13.819 -2.265 348 HZ2 LYS 40 HZ2 LYS 40 -8.211 -12.717 -1.692 349 HZ3 LYS 40 HZ3 LYS 40 -7.069 -12.257 -2.790 350 H GLU 41 H GLU 41 -4.875 -6.632 2.004 351 HA GLU 41 HA GLU 41 -6.274 -7.028 4.548 352 HB2 GLU 41 HB1 GLU 41 -4.331 -6.748 5.546 353 HB3 GLU 41 HB2 GLU 41 -3.683 -7.053 3.917 354 HG2 GLU 41 HG1 GLU 41 -2.412 -5.260 4.645 355 HG3 GLU 41 HG2 GLU 41 -3.689 -4.455 3.706 356 H LEU 42 H LEU 42 -5.610 -4.285 2.309 357 HA LEU 42 HA LEU 42 -6.831 -2.476 4.261 358 HB2 LEU 42 HB1 LEU 42 -4.705 -2.073 2.734 359 HB3 LEU 42 HB2 LEU 42 -5.941 -1.456 1.613 360 HG LEU 42 HG LEU 42 -5.643 -0.578 4.506 361 HD11 LEU 42 HD11 LEU 42 -4.636 1.498 3.607 362 HD12 LEU 42 HD12 LEU 42 -3.669 0.068 3.178 363 HD13 LEU 42 HD13 LEU 42 -4.727 0.826 1.963 364 HD21 LEU 42 HD21 LEU 42 -7.107 1.316 3.887 365 HD22 LEU 42 HD22 LEU 42 -7.257 0.656 2.244 366 HD23 LEU 42 HD23 LEU 42 -7.917 -0.244 3.632 367 H CYS 43 H CYS 43 -8.918 -3.236 4.362 368 HA CYS 43 HA CYS 43 -10.497 -3.276 1.850 369 HB2 CYS 43 HB1 CYS 43 -9.239 -5.468 2.837 370 HB3 CYS 43 HB2 CYS 43 -10.800 -5.592 3.687 371 HG CYS 43 HG CYS 43 -10.831 -7.097 1.542 372 H LEU 44 H LEU 44 -10.531 -1.536 4.290 373 HA LEU 44 HA LEU 44 -12.676 -2.040 6.002 374 HB2 LEU 44 HB1 LEU 44 -12.570 0.596 6.118 375 HB3 LEU 44 HB2 LEU 44 -11.275 -0.438 6.768 376 HG LEU 44 HG LEU 44 -9.856 0.051 4.937 377 HD11 LEU 44 HD11 LEU 44 -10.340 1.618 3.104 378 HD12 LEU 44 HD12 LEU 44 -11.399 0.197 3.062 379 HD13 LEU 44 HD13 LEU 44 -12.015 1.751 3.675 380 HD21 LEU 44 HD21 LEU 44 -9.490 2.465 5.283 381 HD22 LEU 44 HD22 LEU 44 -11.128 2.610 5.956 382 HD23 LEU 44 HD23 LEU 44 -9.900 1.636 6.799 383 H GLY 45 H GLY 45 -12.922 -0.788 2.717 384 HA2 GLY 45 HA2 GLY 45 -14.190 0.125 1.792 385 H GLU 46 H GLU 46 -14.429 1.326 4.411 386 HA GLU 46 HA GLU 46 -16.520 3.230 4.010 387 HB2 GLU 46 HB1 GLU 46 -15.800 4.096 6.113 388 HB3 GLU 46 HB2 GLU 46 -15.622 2.328 6.172 389 HG2 GLU 46 HG1 GLU 46 -13.170 2.686 5.580 390 HG3 GLU 46 HG2 GLU 46 -13.444 4.416 5.878 391 H MET 47 H MET 47 -14.378 3.348 1.766 392 HA MET 47 HA MET 47 -13.684 6.204 2.067 393 HB2 MET 47 HB1 MET 47 -11.357 5.865 1.603 394 HB3 MET 47 HB2 MET 47 -11.831 4.858 2.994 395 HG2 MET 47 HG1 MET 47 -11.750 2.865 1.712 396 HG3 MET 47 HG2 MET 47 -11.704 3.753 0.180 397 HE1 MET 47 HE1 MET 47 -8.111 4.013 3.113 398 HE2 MET 47 HE2 MET 47 -9.571 5.024 3.182 399 HE3 MET 47 HE3 MET 47 -9.668 3.293 3.585 400 H LYS 48 H LYS 48 -11.891 6.249 -0.168 401 HA LYS 48 HA LYS 48 -13.536 7.042 -2.249 402 HB2 LYS 48 HB1 LYS 48 -11.063 7.428 -1.535 403 HB3 LYS 48 HB2 LYS 48 -10.713 5.984 -2.517 404 HG2 LYS 48 HG1 LYS 48 -10.655 7.265 -4.329 405 HG3 LYS 48 HG2 LYS 48 -12.378 7.644 -4.087 406 HD2 LYS 48 HD1 LYS 48 -10.019 9.174 -2.959 407 HD3 LYS 48 HD2 LYS 48 -11.034 9.666 -4.335 408 HE2 LYS 48 HE1 LYS 48 -12.985 9.758 -2.698 409 HE3 LYS 48 HE2 LYS 48 -11.786 9.574 -1.400 410 HZ1 LYS 48 HZ1 LYS 48 -12.289 11.884 -1.824 411 HZ2 LYS 48 HZ2 LYS 48 -10.712 11.574 -2.193 412 HZ3 LYS 48 HZ3 LYS 48 -11.824 11.745 -3.399 413 H GLU 49 H GLU 49 -14.406 6.216 -3.950 414 HA GLU 49 HA GLU 49 -14.760 3.352 -4.243 415 HB2 GLU 49 HB1 GLU 49 -16.164 4.532 -6.293 416 HB3 GLU 49 HB2 GLU 49 -16.797 4.117 -4.682 417 HG2 GLU 49 HG1 GLU 49 -17.425 6.387 -5.573 418 HG3 GLU 49 HG2 GLU 49 -16.699 6.362 -3.950 419 H SER 50 H SER 50 -13.950 5.957 -6.611 420 HA SER 50 HA SER 50 -12.520 3.959 -8.262 421 HB2 SER 50 HB1 SER 50 -14.425 5.312 -9.202 422 HB3 SER 50 HB2 SER 50 -13.417 6.764 -8.993 423 HG SER 50 HG SER 50 -13.263 5.871 -11.111 424 H SER 51 H SER 51 -10.867 5.696 -9.717 425 HA SER 51 HA SER 51 -8.745 6.483 -9.767 426 HB2 SER 51 HB1 SER 51 -9.715 8.144 -7.990 427 HB3 SER 51 HB2 SER 51 -8.760 7.188 -6.832 428 HG SER 51 HG SER 51 -7.594 8.970 -7.690 429 H ILE 52 H ILE 52 -9.505 4.547 -6.861 430 HA ILE 52 HA ILE 52 -6.996 3.335 -6.470 431 HB ILE 52 HB ILE 52 -8.138 1.709 -5.160 432 HG12 ILE 52 HG13 ILE 52 -10.796 2.021 -5.055 433 HG13 ILE 52 HG12 ILE 52 -10.554 2.369 -6.784 434 HG21 ILE 52 HG21 ILE 52 -9.452 3.178 -3.645 435 HG22 ILE 52 HG22 ILE 52 -7.993 3.998 -4.241 436 HG23 ILE 52 HG23 ILE 52 -9.583 4.385 -4.941 437 HD11 ILE 52 HD11 ILE 52 -11.081 -0.026 -6.423 438 HD12 ILE 52 HD12 ILE 52 -9.442 0.184 -7.070 439 HD13 ILE 52 HD13 ILE 52 -9.681 -0.166 -5.342 440 H ASP 53 H ASP 53 -9.445 2.633 -8.926 441 HA ASP 53 HA ASP 53 -8.518 0.128 -9.825 442 HB2 ASP 53 HB1 ASP 53 -10.560 1.041 -10.757 443 HB3 ASP 53 HB2 ASP 53 -9.699 2.463 -11.385 444 H ASP 54 H ASP 54 -7.368 3.471 -10.772 445 HA ASP 54 HA ASP 54 -5.970 2.388 -13.014 446 HB2 ASP 54 HB1 ASP 54 -6.816 4.816 -12.552 447 HB3 ASP 54 HB2 ASP 54 -5.219 5.039 -11.804 448 H LEU 55 H LEU 55 -5.059 3.009 -9.733 449 HA LEU 55 HA LEU 55 -2.228 2.598 -9.981 450 HB2 LEU 55 HB1 LEU 55 -4.056 2.469 -7.565 451 HB3 LEU 55 HB2 LEU 55 -2.298 2.752 -7.571 452 HG LEU 55 HG LEU 55 -4.443 4.615 -8.658 453 HD11 LEU 55 HD11 LEU 55 -3.739 6.081 -6.798 454 HD12 LEU 55 HD12 LEU 55 -4.322 4.510 -6.200 455 HD13 LEU 55 HD13 LEU 55 -2.576 4.844 -6.264 456 HD21 LEU 55 HD21 LEU 55 -2.623 6.239 -9.053 457 HD22 LEU 55 HD22 LEU 55 -1.429 5.019 -8.559 458 HD23 LEU 55 HD23 LEU 55 -2.403 4.768 -10.027 459 H MET 56 H MET 56 -4.922 0.447 -8.805 460 HA MET 56 HA MET 56 -3.439 -1.926 -8.482 461 HB2 MET 56 HB1 MET 56 -6.269 -1.448 -9.496 462 HB3 MET 56 HB2 MET 56 -5.627 -3.052 -9.065 463 HG2 MET 56 HG1 MET 56 -5.538 -0.832 -7.050 464 HG3 MET 56 HG2 MET 56 -7.071 -1.661 -7.365 465 HE1 MET 56 HE1 MET 56 -3.746 -2.899 -4.659 466 HE2 MET 56 HE2 MET 56 -3.406 -1.932 -6.114 467 HE3 MET 56 HE3 MET 56 -4.583 -1.346 -4.911 468 H LYS 57 H LYS 57 -5.090 -0.717 -11.366 469 HA LYS 57 HA LYS 57 -4.392 -2.766 -13.220 470 HB2 LYS 57 HB1 LYS 57 -6.407 -1.425 -13.165 471 HB3 LYS 57 HB2 LYS 57 -5.456 0.059 -13.414 472 HG2 LYS 57 HG1 LYS 57 -5.386 -2.066 -15.509 473 HG3 LYS 57 HG2 LYS 57 -6.839 -1.051 -15.352 474 HD2 LYS 57 HD1 LYS 57 -4.002 -0.167 -15.925 475 HD3 LYS 57 HD2 LYS 57 -5.416 -0.069 -17.002 476 HE2 LYS 57 HE1 LYS 57 -4.864 1.570 -14.515 477 HE3 LYS 57 HE2 LYS 57 -4.913 2.133 -16.200 478 HZ1 LYS 57 HZ1 LYS 57 -6.891 2.744 -15.001 479 HZ2 LYS 57 HZ2 LYS 57 -7.260 1.692 -16.212 480 HZ3 LYS 57 HZ3 LYS 57 -7.214 1.169 -14.648 481 H SER 58 H SER 58 -2.652 0.160 -12.248 482 HA SER 58 HA SER 58 -0.655 -0.070 -14.321 483 HB2 SER 58 HB1 SER 58 -1.101 2.040 -13.091 484 HB3 SER 58 HB2 SER 58 -0.467 1.286 -11.608 485 HG SER 58 HG SER 58 1.131 2.487 -12.749 486 H LEU 59 H LEU 59 -0.801 -1.270 -10.869 487 HA LEU 59 HA LEU 59 1.817 -2.379 -10.918 488 HB2 LEU 59 HB1 LEU 59 -0.661 -3.188 -9.376 489 HB3 LEU 59 HB2 LEU 59 0.955 -3.878 -9.093 490 HG LEU 59 HG LEU 59 0.131 -0.980 -8.721 491 HD11 LEU 59 HD11 LEU 59 0.529 -1.477 -6.327 492 HD12 LEU 59 HD12 LEU 59 -0.726 -2.541 -7.006 493 HD13 LEU 59 HD13 LEU 59 0.921 -3.164 -6.743 494 HD21 LEU 59 HD21 LEU 59 2.398 -0.629 -7.799 495 HD22 LEU 59 HD22 LEU 59 2.827 -2.302 -8.222 496 HD23 LEU 59 HD23 LEU 59 2.463 -1.124 -9.506 497 H ASP 60 H ASP 60 -1.295 -3.718 -11.970 498 HA ASP 60 HA ASP 60 -0.444 -6.413 -12.297 499 HB2 ASP 60 HB1 ASP 60 -2.812 -5.305 -12.083 500 HB3 ASP 60 HB2 ASP 60 -2.713 -5.177 -13.853 501 H LYS 61 H LYS 61 0.092 -3.637 -14.371 502 HA LYS 61 HA LYS 61 0.299 -4.857 -16.865 503 HB2 LYS 61 HB1 LYS 61 1.718 -2.546 -15.540 504 HB3 LYS 61 HB2 LYS 61 2.115 -3.029 -17.206 505 HG2 LYS 61 HG1 LYS 61 -0.773 -2.700 -16.550 506 HG3 LYS 61 HG2 LYS 61 0.213 -1.219 -16.610 507 HD2 LYS 61 HD1 LYS 61 -0.869 -1.765 -18.775 508 HD3 LYS 61 HD2 LYS 61 0.906 -1.695 -18.867 509 HE2 LYS 61 HE1 LYS 61 -0.433 -4.353 -18.483 510 HE3 LYS 61 HE2 LYS 61 -0.466 -3.592 -20.089 511 HZ1 LYS 61 HZ1 LYS 61 1.376 -5.108 -19.860 512 HZ2 LYS 61 HZ2 LYS 61 1.925 -3.569 -20.056 513 HZ3 LYS 61 HZ3 LYS 61 1.956 -4.275 -18.565 514 H ASN 62 H ASN 62 2.549 -5.166 -14.185 515 HA ASN 62 HA ASN 62 3.818 -7.364 -15.694 516 HB2 ASN 62 HB1 ASN 62 5.203 -5.110 -14.239 517 HB3 ASN 62 HB2 ASN 62 5.963 -6.711 -14.362 518 HD21 ASN 62 HD21 ASN 62 6.679 -7.463 -16.404 519 HD22 ASN 62 HD22 ASN 62 6.774 -6.414 -17.808 520 H SER 63 H SER 63 5.317 -8.478 -13.701 521 HA SER 63 HA SER 63 3.642 -9.224 -11.506 522 HB2 SER 63 HB1 SER 63 2.839 -11.389 -12.666 523 HB3 SER 63 HB2 SER 63 1.975 -9.865 -12.977 524 HG SER 63 HG SER 63 2.340 -11.088 -14.893 525 H ASP 64 H ASP 64 6.532 -8.971 -12.282 526 HA ASP 64 HA ASP 64 7.615 -11.687 -12.288 527 HB2 ASP 64 HB1 ASP 64 8.421 -11.247 -14.740 528 HB3 ASP 64 HB2 ASP 64 6.775 -11.858 -14.465 529 H GLN 65 H GLN 65 7.796 -8.601 -11.526 530 HA GLN 65 HA GLN 65 10.775 -8.452 -11.493 531 HB2 GLN 65 HB1 GLN 65 8.778 -6.162 -11.309 532 HB3 GLN 65 HB2 GLN 65 10.547 -6.050 -11.472 533 HG2 GLN 65 HG1 GLN 65 8.560 -6.930 -13.590 534 HG3 GLN 65 HG2 GLN 65 9.514 -5.432 -13.564 535 HE21 GLN 65 HE12 GLN 65 9.353 -8.254 -15.203 536 HE22 GLN 65 HE22 GLN 65 11.051 -8.541 -15.508 537 H GLU 66 H GLU 66 11.608 -8.189 -9.365 538 HA GLU 66 HA GLU 66 9.744 -8.093 -7.129 539 HB2 GLU 66 HB1 GLU 66 12.770 -7.992 -7.241 540 HB3 GLU 66 HB2 GLU 66 11.847 -7.797 -5.731 541 HG2 GLU 66 HG1 GLU 66 10.830 -10.047 -6.128 542 HG3 GLU 66 HG2 GLU 66 11.895 -10.236 -7.538 543 H ILE 67 H ILE 67 10.030 -6.529 -5.420 544 HA ILE 67 HA ILE 67 10.212 -3.703 -6.319 545 HB ILE 67 HB ILE 67 7.844 -5.127 -5.009 546 HG12 ILE 67 HG13 ILE 67 8.112 -3.890 -7.760 547 HG13 ILE 67 HG12 ILE 67 7.922 -5.616 -7.373 548 HG21 ILE 67 HG21 ILE 67 6.750 -2.933 -5.033 549 HG22 ILE 67 HG22 ILE 67 8.242 -2.910 -4.062 550 HG23 ILE 67 HG23 ILE 67 8.231 -2.197 -5.694 551 HD11 ILE 67 HD11 ILE 67 5.793 -4.640 -8.165 552 HD12 ILE 67 HD12 ILE 67 5.673 -5.167 -6.472 553 HD13 ILE 67 HD13 ILE 67 5.865 -3.439 -6.858 554 H ASP 68 H ASP 68 10.959 -2.374 -4.627 555 HA ASP 68 HA ASP 68 11.219 -3.583 -1.955 556 HB2 ASP 68 HB1 ASP 68 12.752 -1.859 -1.410 557 HB3 ASP 68 HB2 ASP 68 13.181 -2.509 -3.006 558 H PHE 69 H PHE 69 10.905 -2.105 -0.083 559 HA PHE 69 HA PHE 69 8.219 -1.698 0.453 560 HB2 PHE 69 HB1 PHE 69 10.449 -1.909 1.842 561 HB3 PHE 69 HB2 PHE 69 10.417 -0.138 1.805 562 HD1 PHE 69 HD1 PHE 69 8.453 1.088 2.919 563 HD2 PHE 69 HD2 PHE 69 9.103 -3.151 3.301 564 HE1 PHE 69 HE1 PHE 69 7.160 1.084 5.039 565 HE2 PHE 69 HE2 PHE 69 7.792 -3.156 5.407 566 HZ PHE 69 HZ PHE 69 6.863 -1.034 6.301 567 H LYS 70 H LYS 70 10.150 0.436 -1.409 568 HA LYS 70 HA LYS 70 9.079 2.997 -0.605 569 HB2 LYS 70 HB1 LYS 70 11.344 2.225 -1.610 570 HB3 LYS 70 HB2 LYS 70 10.484 2.207 -3.166 571 HG2 LYS 70 HG1 LYS 70 10.077 4.583 -3.030 572 HG3 LYS 70 HG2 LYS 70 10.754 4.647 -1.386 573 HD2 LYS 70 HD1 LYS 70 12.428 5.417 -2.986 574 HD3 LYS 70 HD2 LYS 70 12.940 3.865 -2.280 575 HE2 LYS 70 HE1 LYS 70 11.463 3.893 -4.903 576 HE3 LYS 70 HE2 LYS 70 13.189 4.317 -4.863 577 HZ1 LYS 70 HZ1 LYS 70 12.857 1.995 -5.326 578 HZ2 LYS 70 HZ2 LYS 70 13.626 2.183 -3.884 579 HZ3 LYS 70 HZ3 LYS 70 12.026 1.789 -3.919 580 H GLU 71 H GLU 71 8.618 0.839 -3.482 581 HA GLU 71 HA GLU 71 6.611 2.363 -4.776 582 HB2 GLU 71 HB1 GLU 71 6.977 -0.645 -4.572 583 HB3 GLU 71 HB2 GLU 71 5.855 0.164 -5.693 584 HG2 GLU 71 HG1 GLU 71 8.161 1.437 -6.351 585 HG3 GLU 71 HG2 GLU 71 8.818 -0.129 -5.828 586 H TYR 72 H TYR 72 6.487 0.005 -2.115 587 HA TYR 72 HA TYR 72 3.639 -0.147 -1.883 588 HB2 TYR 72 HB1 TYR 72 4.806 -1.909 -0.981 589 HB3 TYR 72 HB2 TYR 72 6.038 -0.868 -0.247 590 HD1 TYR 72 HD1 TYR 72 2.685 -2.382 0.199 591 HD2 TYR 72 HD2 TYR 72 5.725 0.133 1.930 592 HE1 TYR 72 HE1 TYR 72 1.768 -2.838 2.474 593 HE2 TYR 72 HE2 TYR 72 4.798 -0.293 4.193 594 HH TYR 72 HH TYR 72 3.342 -1.501 5.435 595 H SER 73 H SER 73 6.048 1.976 -0.236 596 HA SER 73 HA SER 73 3.989 3.247 1.338 597 HB2 SER 73 HB1 SER 73 5.785 4.770 2.063 598 HB3 SER 73 HB2 SER 73 6.185 3.045 2.256 599 HG SER 73 HG SER 73 7.915 4.268 1.388 600 H VAL 74 H VAL 74 5.637 4.252 -1.775 601 HA VAL 74 HA VAL 74 4.249 6.761 -1.747 602 HB VAL 74 HB VAL 74 4.658 7.004 -4.094 603 HG11 VAL 74 HG11 VAL 74 7.121 7.035 -4.040 604 HG12 VAL 74 HG12 VAL 74 6.416 7.592 -2.508 605 HG13 VAL 74 HG13 VAL 74 7.095 5.952 -2.633 606 HG21 VAL 74 HG21 VAL 74 5.904 5.389 -5.468 607 HG22 VAL 74 HG22 VAL 74 5.836 4.221 -4.136 608 HG23 VAL 74 HG23 VAL 74 4.337 4.748 -4.938 609 H PHE 75 H PHE 75 3.249 3.527 -2.833 610 HA PHE 75 HA PHE 75 0.920 4.360 -4.293 611 HB2 PHE 75 HB1 PHE 75 2.171 2.164 -4.399 612 HB3 PHE 75 HB2 PHE 75 1.446 1.750 -2.838 613 HD1 PHE 75 HD2 PHE 75 -1.176 1.664 -2.727 614 HD2 PHE 75 HD1 PHE 75 1.102 1.674 -6.382 615 HE1 PHE 75 HE2 PHE 75 -3.103 0.649 -3.932 616 HE2 PHE 75 HE1 PHE 75 -0.815 0.658 -7.574 617 HZ PHE 75 HZ PHE 75 -2.923 0.162 -6.366 618 H LEU 76 H LEU 76 1.381 3.239 -0.885 619 HA LEU 76 HA LEU 76 -1.355 3.602 -0.120 620 HB2 LEU 76 HB1 LEU 76 1.230 3.535 1.466 621 HB3 LEU 76 HB2 LEU 76 -0.393 3.536 2.195 622 HG LEU 76 HG LEU 76 0.544 1.411 0.242 623 HD11 LEU 76 HD11 LEU 76 1.015 0.022 2.236 624 HD12 LEU 76 HD12 LEU 76 2.036 1.480 2.209 625 HD13 LEU 76 HD13 LEU 76 0.625 1.403 3.290 626 HD21 LEU 76 HD21 LEU 76 -1.290 0.074 1.227 627 HD22 LEU 76 HD22 LEU 76 -1.719 1.440 2.281 628 HD23 LEU 76 HD23 LEU 76 -1.902 1.585 0.516 629 H THR 77 H THR 77 1.499 5.783 0.030 630 HA THR 77 HA THR 77 0.238 7.968 1.352 631 HB THR 77 HB THR 77 2.493 7.919 -0.684 632 HG1 THR 77 HG1 THR 77 3.710 8.005 1.254 633 HG21 THR 77 HG21 THR 77 3.144 10.102 0.284 634 HG22 THR 77 HG22 THR 77 1.534 10.186 -0.465 635 HG23 THR 77 HG23 THR 77 1.688 10.081 1.304 636 H MET 78 H MET 78 0.660 7.286 -2.134 637 HA MET 78 HA MET 78 -0.851 9.377 -3.228 638 HB2 MET 78 HB1 MET 78 0.619 7.982 -4.518 639 HB3 MET 78 HB2 MET 78 -0.331 6.530 -4.125 640 HG2 MET 78 HG1 MET 78 -2.103 7.167 -5.515 641 HG3 MET 78 HG2 MET 78 -1.543 8.845 -5.615 642 HE1 MET 78 HE1 MET 78 0.994 5.499 -7.634 643 HE2 MET 78 HE2 MET 78 1.118 5.993 -5.933 644 HE3 MET 78 HE3 MET 78 -0.322 5.117 -6.503 645 H LEU 79 H LEU 79 -2.019 6.107 -2.161 646 HA LEU 79 HA LEU 79 -4.739 6.580 -2.815 647 HB2 LEU 79 HB1 LEU 79 -3.284 4.469 -1.841 648 HB3 LEU 79 HB2 LEU 79 -4.247 4.930 -0.418 649 HG LEU 79 HG LEU 79 -5.426 3.225 -1.575 650 HD11 LEU 79 HD11 LEU 79 -7.570 4.283 -2.194 651 HD12 LEU 79 HD12 LEU 79 -6.877 5.011 -0.729 652 HD13 LEU 79 HD13 LEU 79 -6.755 5.858 -2.290 653 HD21 LEU 79 HD21 LEU 79 -6.072 3.356 -3.957 654 HD22 LEU 79 HD22 LEU 79 -5.204 4.901 -4.101 655 HD23 LEU 79 HD23 LEU 79 -4.307 3.403 -3.754 656 H CYS 80 H CYS 80 -2.946 7.274 0.250 657 HA CYS 80 HA CYS 80 -5.312 8.053 1.671 658 HB2 CYS 80 HB1 CYS 80 -3.188 7.156 2.639 659 HB3 CYS 80 HB2 CYS 80 -2.417 8.720 2.279 660 HG CYS 80 HG CYS 80 -3.019 8.589 4.823 661 H MET 81 H MET 81 -2.828 10.039 -0.066 662 HA MET 81 HA MET 81 -4.202 12.487 0.524 663 HB2 MET 81 HB1 MET 81 -2.726 13.564 -0.968 664 HB3 MET 81 HB2 MET 81 -1.822 12.355 -0.026 665 HG2 MET 81 HG1 MET 81 -0.938 12.206 -2.165 666 HG3 MET 81 HG2 MET 81 -2.046 10.829 -2.039 667 HE1 MET 81 HE1 MET 81 -3.099 14.685 -4.405 668 HE2 MET 81 HE2 MET 81 -3.187 14.548 -2.634 669 HE3 MET 81 HE3 MET 81 -1.608 14.501 -3.454 670 H ALA 82 H ALA 82 -4.839 10.014 -1.911 671 HA ALA 82 HA ALA 82 -6.516 11.638 -3.533 672 HB1 ALA 82 HB1 ALA 82 -7.419 9.510 -4.384 673 HB2 ALA 82 HB2 ALA 82 -5.645 9.477 -4.274 674 HB3 ALA 82 HB3 ALA 82 -6.629 8.644 -3.047 675 H TYR 83 H TYR 83 -7.130 10.426 -0.292 676 HA TYR 83 HA TYR 83 -9.918 11.368 -0.579 677 HB2 TYR 83 HB1 TYR 83 -10.691 9.719 1.003 678 HB3 TYR 83 HB2 TYR 83 -9.944 8.977 -0.421 679 HD1 TYR 83 HD1 TYR 83 -9.266 9.800 3.198 680 HD2 TYR 83 HD2 TYR 83 -8.359 7.318 -0.198 681 HE1 TYR 83 HE1 TYR 83 -7.974 8.268 4.672 682 HE2 TYR 83 HE2 TYR 83 -7.060 5.803 1.258 683 HH TYR 83 HH TYR 83 -6.344 5.303 3.323 684 H ASN 84 H ASN 84 -7.050 12.103 1.037 685 HA ASN 84 HA ASN 84 -8.343 13.387 3.285 686 HB2 ASN 84 HB1 ASN 84 -5.582 13.617 2.090 687 HB3 ASN 84 HB2 ASN 84 -6.125 14.588 3.476 688 HD21 ASN 84 HD21 ASN 84 -3.946 12.645 3.433 689 HD22 ASN 84 HD22 ASN 84 -4.358 11.411 4.611 690 H ASP 85 H ASP 85 -9.993 14.048 1.363 691 HA ASP 85 HA ASP 85 -9.560 16.535 0.060 692 HB2 ASP 85 HB1 ASP 85 -12.131 15.307 1.126 693 HB3 ASP 85 HB2 ASP 85 -12.008 16.581 -0.107 694 H PHE 86 H PHE 86 -10.544 15.767 3.403 695 HA PHE 86 HA PHE 86 -11.069 18.380 4.354 696 HB2 PHE 86 HB1 PHE 86 -11.616 16.283 5.494 697 HB3 PHE 86 HB2 PHE 86 -9.895 15.919 5.695 698 HD1 PHE 86 HD1 PHE 86 -12.515 18.440 6.637 699 HD2 PHE 86 HD2 PHE 86 -8.762 16.576 7.641 700 HE1 PHE 86 HE1 PHE 86 -12.512 19.622 8.823 701 HE2 PHE 86 HE2 PHE 86 -8.750 17.779 9.815 702 HZ PHE 86 HZ PHE 86 -10.629 19.296 10.414 703 H PHE 87 H PHE 87 -7.968 17.006 3.412 704 HA PHE 87 HA PHE 87 -6.507 19.118 4.832 705 HB2 PHE 87 HB1 PHE 87 -5.645 16.788 3.131 706 HB3 PHE 87 HB2 PHE 87 -4.515 18.055 3.640 707 HD1 PHE 87 HD2 PHE 87 -6.730 17.623 6.382 708 HD2 PHE 87 HD1 PHE 87 -3.476 15.709 4.312 709 HE1 PHE 87 HE2 PHE 87 -6.146 16.373 8.444 710 HE2 PHE 87 HE1 PHE 87 -2.876 14.485 6.382 711 HZ PHE 87 HZ PHE 87 -4.219 14.804 8.451 712 H LEU 88 H LEU 88 -7.918 18.690 1.670 713 HA LEU 88 HA LEU 88 -6.280 20.644 0.302 714 HB2 LEU 88 HB1 LEU 88 -8.802 19.108 -0.206 715 HB3 LEU 88 HB2 LEU 88 -8.506 20.570 -1.177 716 HG LEU 88 HG LEU 88 -7.841 18.633 -2.397 717 HD11 LEU 88 HD11 LEU 88 -5.499 19.203 -2.942 718 HD12 LEU 88 HD12 LEU 88 -6.494 20.657 -2.712 719 HD13 LEU 88 HD13 LEU 88 -5.379 20.125 -1.429 720 HD21 LEU 88 HD21 LEU 88 -6.046 17.096 -1.705 721 HD22 LEU 88 HD22 LEU 88 -5.938 17.938 -0.145 722 HD23 LEU 88 HD23 LEU 88 -7.421 17.055 -0.582 723 H GLU 89 H GLU 89 -7.417 22.583 -0.714 724 HA GLU 89 HA GLU 89 -8.703 24.253 1.349 725 HB2 GLU 89 HB1 GLU 89 -7.151 24.731 -1.177 726 HB3 GLU 89 HB2 GLU 89 -8.224 26.007 -0.555 727 HG2 GLU 89 HG1 GLU 89 -6.005 26.369 0.330 728 HG3 GLU 89 HG2 GLU 89 -7.067 25.842 1.652 729 H ASP 90 H ASP 90 -9.916 22.148 -0.499 730 HA ASP 90 HA ASP 90 -12.050 21.535 -0.755 731 HB2 ASP 90 HB1 ASP 90 -12.238 23.310 1.165 732 HB3 ASP 90 HB2 ASP 90 -13.074 24.274 -0.072 733 H ASN 91 H ASN 91 -10.733 24.043 -2.576 734 HA ASN 91 HA ASN 91 -12.966 24.375 -4.456 735 HB2 ASN 91 HB1 ASN 91 -11.570 26.176 -5.361 736 HB3 ASN 91 HB2 ASN 91 -11.688 26.320 -3.593 737 HD21 ASN 91 HD21 ASN 91 -9.844 26.250 -2.365 738 HD22 ASN 91 HD22 ASN 91 -8.227 26.055 -3.018 739 H LYS 92 H LYS 92 -11.040 21.738 -4.460 740 HA LYS 92 HA LYS 92 -8.918 22.730 -6.116 741 HB2 LYS 92 HB1 LYS 92 -8.789 21.201 -4.087 742 HB3 LYS 92 HB2 LYS 92 -9.289 19.885 -5.175 743 HG2 LYS 92 HG1 LYS 92 -6.879 19.912 -5.052 744 HG3 LYS 92 HG2 LYS 92 -7.381 20.457 -6.671 745 HD2 LYS 92 HD1 LYS 92 -7.126 22.736 -4.921 746 HD3 LYS 92 HD2 LYS 92 -5.645 21.753 -4.834 747 HE2 LYS 92 HE1 LYS 92 -5.210 23.321 -6.527 748 HE3 LYS 92 HE2 LYS 92 -5.639 21.835 -7.401 749 HZ1 LYS 92 HZ1 LYS 92 -6.692 23.759 -8.351 750 HZ2 LYS 92 HZ2 LYS 92 -7.826 22.736 -7.732 751 HZ3 LYS 92 HZ3 LYS 92 -7.429 24.116 -6.921 752 HA MET 1 HA MET 1 -11.182 3.032 8.801 753 HB2 MET 1 HB1 MET 1 -9.139 3.854 9.781 754 HB3 MET 1 HB2 MET 1 -10.522 4.934 10.081 755 HG2 MET 1 HG1 MET 1 -9.275 3.058 12.098 756 HG3 MET 1 HG2 MET 1 -8.951 4.795 11.966 757 HE1 MET 1 HE1 MET 1 -12.130 2.747 14.444 758 HE2 MET 1 HE2 MET 1 -11.593 2.013 12.915 759 HE3 MET 1 HE3 MET 1 -10.409 2.381 14.193 760 H GLU 2 H GLU 2 -11.862 0.658 8.719 761 HA GLU 2 HA GLU 2 -10.755 -0.865 10.977 762 HB2 GLU 2 HB1 GLU 2 -13.265 -0.891 9.541 763 HB3 GLU 2 HB2 GLU 2 -12.580 -2.528 9.684 764 HG2 GLU 2 HG1 GLU 2 -13.978 -1.987 11.638 765 HG3 GLU 2 HG2 GLU 2 -12.278 -2.204 12.105 766 H THR 3 H THR 3 -8.693 -0.491 9.585 767 HA THR 3 HA THR 3 -7.903 -3.251 9.163 768 HB THR 3 HB THR 3 -7.443 -3.337 7.041 769 HG1 THR 3 HG1 THR 3 -6.058 -1.821 6.021 770 HG21 THR 3 HG21 THR 3 -8.273 -1.682 5.405 771 HG22 THR 3 HG22 THR 3 -9.471 -2.012 6.669 772 HG23 THR 3 HG23 THR 3 -8.507 -0.518 6.722 773 HA PRO 4 HA PRO 4 -4.497 -1.621 11.403 774 HB2 PRO 4 HB1 PRO 4 -2.515 -3.481 11.088 775 HB3 PRO 4 HB2 PRO 4 -3.999 -3.746 12.060 776 HG2 PRO 4 HG1 PRO 4 -3.387 -4.704 9.286 777 HG3 PRO 4 HG2 PRO 4 -4.242 -5.568 10.604 778 HD2 PRO 4 HD1 PRO 4 -5.481 -4.234 8.471 779 HD3 PRO 4 HD2 PRO 4 -6.258 -4.541 10.053 780 H LEU 5 H LEU 5 -3.543 -2.585 7.982 781 HA LEU 5 HA LEU 5 -1.374 -0.727 7.915 782 HB2 LEU 5 HB1 LEU 5 -1.716 -2.569 6.317 783 HB3 LEU 5 HB2 LEU 5 -3.101 -1.688 5.629 784 HG LEU 5 HG LEU 5 -1.666 0.045 4.778 785 HD11 LEU 5 HD11 LEU 5 0.793 -0.002 5.023 786 HD12 LEU 5 HD12 LEU 5 -0.013 0.173 6.599 787 HD13 LEU 5 HD13 LEU 5 0.655 -1.402 6.111 788 HD21 LEU 5 HD21 LEU 5 -0.342 -1.326 3.193 789 HD22 LEU 5 HD22 LEU 5 -0.514 -2.737 4.267 790 HD23 LEU 5 HD23 LEU 5 -1.948 -2.043 3.475 791 H GLU 6 H GLU 6 -4.869 -0.249 7.032 792 HA GLU 6 HA GLU 6 -4.763 2.509 6.531 793 HB2 GLU 6 HB1 GLU 6 -6.859 1.612 6.246 794 HB3 GLU 6 HB2 GLU 6 -6.787 0.674 7.756 795 HG2 GLU 6 HG1 GLU 6 -8.467 2.488 7.797 796 HG3 GLU 6 HG2 GLU 6 -7.238 2.630 9.072 797 H LYS 7 H LYS 7 -4.853 0.876 9.844 798 HA LYS 7 HA LYS 7 -5.123 3.466 11.044 799 HB2 LYS 7 HB1 LYS 7 -5.517 2.428 12.931 800 HB3 LYS 7 HB2 LYS 7 -5.680 1.015 11.862 801 HG2 LYS 7 HG1 LYS 7 -4.535 0.328 13.804 802 HG3 LYS 7 HG2 LYS 7 -3.358 0.368 12.468 803 HD2 LYS 7 HD1 LYS 7 -2.517 1.188 14.702 804 HD3 LYS 7 HD2 LYS 7 -2.294 2.308 13.335 805 HE2 LYS 7 HE1 LYS 7 -4.285 3.584 14.057 806 HE3 LYS 7 HE2 LYS 7 -4.510 2.466 15.420 807 HZ1 LYS 7 HZ1 LYS 7 -3.397 4.469 16.090 808 HZ2 LYS 7 HZ2 LYS 7 -2.393 3.176 16.269 809 HZ3 LYS 7 HZ3 LYS 7 -2.184 4.213 15.004 810 H ALA 8 H ALA 8 -2.336 1.561 10.123 811 HA ALA 8 HA ALA 8 -0.286 3.104 11.293 812 HB1 ALA 8 HB1 ALA 8 1.120 2.219 9.475 813 HB2 ALA 8 HB2 ALA 8 0.089 0.950 10.174 814 HB3 ALA 8 HB3 ALA 8 -0.336 1.680 8.608 815 H LEU 9 H LEU 9 -1.715 3.503 7.965 816 HA LEU 9 HA LEU 9 -0.504 5.950 7.345 817 HB2 LEU 9 HB1 LEU 9 -2.957 4.484 6.491 818 HB3 LEU 9 HB2 LEU 9 -2.848 6.205 6.054 819 HG LEU 9 HG LEU 9 -2.116 4.631 4.285 820 HD11 LEU 9 HD11 LEU 9 -0.083 5.879 3.632 821 HD12 LEU 9 HD12 LEU 9 -1.331 6.957 4.292 822 HD13 LEU 9 HD13 LEU 9 0.064 6.490 5.292 823 HD21 LEU 9 HD21 LEU 9 0.087 3.521 4.411 824 HD22 LEU 9 HD22 LEU 9 0.250 4.053 6.096 825 HD23 LEU 9 HD23 LEU 9 -1.032 2.902 5.643 826 H THR 10 H THR 10 -3.577 5.442 9.274 827 HA THR 10 HA THR 10 -3.972 8.293 9.357 828 HB THR 10 HB THR 10 -5.459 7.523 11.476 829 HG1 THR 10 HG1 THR 10 -6.409 5.554 10.822 830 HG21 THR 10 HG21 THR 10 -7.299 7.507 9.820 831 HG22 THR 10 HG22 THR 10 -6.133 8.806 9.472 832 HG23 THR 10 HG23 THR 10 -6.114 7.309 8.507 833 H THR 11 H THR 11 -2.275 6.057 11.548 834 HA THR 11 HA THR 11 -1.546 7.974 13.506 835 HB THR 11 HB THR 11 0.213 5.746 12.454 836 HG1 THR 11 HG1 THR 11 -0.828 4.520 14.098 837 HG21 THR 11 HG21 THR 11 1.082 5.699 14.775 838 HG22 THR 11 HG22 THR 11 1.327 7.292 14.027 839 HG23 THR 11 HG23 THR 11 0.009 7.050 15.198 840 H MET 12 H MET 12 -0.149 7.329 10.239 841 HA MET 12 HA MET 12 1.971 9.223 10.501 842 HB2 MET 12 HB1 MET 12 0.574 8.409 7.939 843 HB3 MET 12 HB2 MET 12 2.147 9.230 8.078 844 HG2 MET 12 HG1 MET 12 3.066 7.224 9.197 845 HG3 MET 12 HG2 MET 12 1.507 6.410 8.993 846 HE1 MET 12 HE1 MET 12 4.943 6.186 6.209 847 HE2 MET 12 HE2 MET 12 4.859 7.486 7.418 848 HE3 MET 12 HE3 MET 12 4.696 5.788 7.925 849 H VAL 13 H VAL 13 -1.417 9.621 9.230 850 HA VAL 13 HA VAL 13 -0.903 12.302 8.436 851 HB VAL 13 HB VAL 13 -3.099 12.719 7.986 852 HG11 VAL 13 HG11 VAL 13 -3.826 10.872 6.536 853 HG12 VAL 13 HG12 VAL 13 -2.077 11.155 6.442 854 HG13 VAL 13 HG13 VAL 13 -2.710 9.785 7.386 855 HG21 VAL 13 HG21 VAL 13 -5.082 11.407 8.605 856 HG22 VAL 13 HG22 VAL 13 -4.054 10.346 9.583 857 HG23 VAL 13 HG23 VAL 13 -4.238 12.063 10.017 858 H THR 14 H THR 14 -2.013 11.028 11.615 859 HA THR 14 HA THR 14 -2.651 13.514 12.768 860 HB THR 14 HB THR 14 -1.492 12.383 14.905 861 HG1 THR 14 HG1 THR 14 -1.880 10.126 14.773 862 HG21 THR 14 HG21 THR 14 -3.728 11.397 15.349 863 HG22 THR 14 HG22 THR 14 -3.873 13.000 14.594 864 HG23 THR 14 HG23 THR 14 -4.124 11.533 13.620 865 H THR 15 H THR 15 0.556 11.919 12.644 866 HA THR 15 HA THR 15 1.958 14.034 13.928 867 HB THR 15 HB THR 15 3.977 12.852 12.736 868 HG1 THR 15 HG1 THR 15 3.401 10.691 12.204 869 HG21 THR 15 HG21 THR 15 3.920 11.073 14.462 870 HG22 THR 15 HG22 THR 15 3.402 12.636 15.134 871 HG23 THR 15 HG23 THR 15 2.191 11.395 14.729 872 H PHE 16 H PHE 16 1.410 13.379 10.424 873 HA PHE 16 HA PHE 16 3.151 15.485 9.530 874 HB2 PHE 16 HB1 PHE 16 2.340 13.526 8.202 875 HB3 PHE 16 HB2 PHE 16 0.722 14.247 8.186 876 HD1 PHE 16 HD1 PHE 16 0.402 16.518 7.063 877 HD2 PHE 16 HD2 PHE 16 4.001 14.192 6.651 878 HE1 PHE 16 HE1 PHE 16 1.108 17.935 5.153 879 HE2 PHE 16 HE2 PHE 16 4.603 15.480 4.611 880 HZ PHE 16 HZ PHE 16 3.135 17.336 3.846 881 H HIS 17 H HIS 17 -0.384 15.348 10.139 882 HA HIS 17 HA HIS 17 -1.061 17.950 9.328 883 HB2 HIS 17 HB1 HIS 17 -2.710 16.227 9.769 884 HB3 HIS 17 HB2 HIS 17 -2.237 16.158 11.478 885 HD1 HIS 17 HD1 HIS 17 -3.391 17.898 13.071 886 HD2 HIS 17 HD2 HIS 17 -4.020 18.565 8.975 887 HE1 HIS 17 HE1 HIS 17 -5.081 19.802 12.899 888 HE2 HIS 17 HE2 HIS 17 -5.497 20.222 10.405 889 H LYS 18 H LYS 18 0.171 16.806 12.480 890 HA LYS 18 HA LYS 18 -0.146 18.934 14.175 891 HB2 LYS 18 HB1 LYS 18 0.859 16.655 14.566 892 HB3 LYS 18 HB2 LYS 18 2.371 17.258 13.845 893 HG2 LYS 18 HG1 LYS 18 2.490 18.976 15.668 894 HG3 LYS 18 HG2 LYS 18 1.065 18.218 16.419 895 HD2 LYS 18 HD1 LYS 18 2.333 16.034 16.460 896 HD3 LYS 18 HD2 LYS 18 3.770 16.915 15.885 897 HE2 LYS 18 HE1 LYS 18 3.706 18.344 17.898 898 HE3 LYS 18 HE2 LYS 18 2.259 17.484 18.469 899 HZ1 LYS 18 HZ1 LYS 18 4.253 16.644 19.489 900 HZ2 LYS 18 HZ2 LYS 18 3.563 15.476 18.550 901 HZ3 LYS 18 HZ3 LYS 18 4.906 16.274 18.021 902 H TYR 19 H TYR 19 2.326 18.749 11.589 903 HA TYR 19 HA TYR 19 3.500 21.326 12.425 904 HB2 TYR 19 HB1 TYR 19 4.234 19.220 10.372 905 HB3 TYR 19 HB2 TYR 19 5.090 20.765 10.507 906 HD1 TYR 19 HD2 TYR 19 4.232 17.625 12.360 907 HD2 TYR 19 HD1 TYR 19 6.719 21.140 12.208 908 HE1 TYR 19 HE2 TYR 19 5.579 16.746 14.250 909 HE2 TYR 19 HE1 TYR 19 8.110 20.235 14.060 910 HH TYR 19 HH TYR 19 7.418 17.036 15.558 911 H SER 20 H SER 20 1.389 20.059 9.878 912 HA SER 20 HA SER 20 1.588 22.352 8.149 913 HB2 SER 20 HB1 SER 20 -0.222 21.321 6.957 914 HB3 SER 20 HB2 SER 20 0.826 20.008 7.547 915 HG SER 20 HG SER 20 -1.408 19.600 7.926 916 H GLY 21 H GLY 21 -0.121 21.907 11.169 917 HA2 GLY 21 HA2 GLY 21 -1.719 23.816 10.242 918 H ARG 22 H ARG 22 -1.242 25.372 9.713 919 HA ARG 22 HA ARG 22 -0.755 27.691 10.938 920 HB2 ARG 22 HB1 ARG 22 1.697 27.683 11.556 921 HB3 ARG 22 HB2 ARG 22 0.631 26.799 12.675 922 HG2 ARG 22 HG1 ARG 22 1.855 24.944 12.415 923 HG3 ARG 22 HG2 ARG 22 1.560 24.969 10.661 924 HD2 ARG 22 HD1 ARG 22 3.921 24.930 10.971 925 HD3 ARG 22 HD2 ARG 22 3.491 26.575 10.455 926 HE ARG 22 HE ARG 22 3.504 26.518 13.282 927 HH11 ARG 22 HH12 ARG 22 5.799 26.212 10.614 928 HH12 ARG 22 HH11 ARG 22 7.132 26.847 11.543 929 HH21 ARG 22 HH22 ARG 22 5.266 27.333 14.432 930 HH22 ARG 22 HH21 ARG 22 6.834 27.470 13.670 931 H GLU 23 H GLU 23 0.300 25.389 8.582 932 HA GLU 23 HA GLU 23 1.539 27.480 6.865 933 HB2 GLU 23 HB1 GLU 23 2.354 24.660 7.531 934 HB3 GLU 23 HB2 GLU 23 2.672 25.263 5.887 935 HG2 GLU 23 HG1 GLU 23 4.086 26.971 6.642 936 HG3 GLU 23 HG2 GLU 23 3.412 26.936 8.285 937 H GLY 24 H GLY 24 1.492 26.402 4.415 938 HA2 GLY 24 HA2 GLY 24 -1.099 25.817 4.338 939 H SER 25 H SER 25 -2.591 24.883 3.075 940 HA SER 25 HA SER 25 -3.384 22.884 2.511 941 HB2 SER 25 HB1 SER 25 -2.752 22.716 0.409 942 HB3 SER 25 HB2 SER 25 -1.090 23.244 0.765 943 HG SER 25 HG SER 25 -1.185 21.111 -0.078 944 H LYS 26 H LYS 26 -3.815 21.111 3.769 945 HA LYS 26 HA LYS 26 -1.858 20.721 5.890 946 HB2 LYS 26 HB1 LYS 26 -4.645 19.622 5.570 947 HB3 LYS 26 HB2 LYS 26 -3.613 19.410 7.005 948 HG2 LYS 26 HG1 LYS 26 -4.598 21.214 7.843 949 HG3 LYS 26 HG2 LYS 26 -3.685 22.163 6.647 950 HD2 LYS 26 HD1 LYS 26 -6.364 21.006 5.906 951 HD3 LYS 26 HD2 LYS 26 -6.278 22.482 6.896 952 HE2 LYS 26 HE1 LYS 26 -5.117 23.671 5.186 953 HE3 LYS 26 HE2 LYS 26 -4.828 22.186 4.252 954 HZ1 LYS 26 HZ1 LYS 26 -6.573 23.508 3.301 955 HZ2 LYS 26 HZ2 LYS 26 -7.173 22.070 3.832 956 HZ3 LYS 26 HZ3 LYS 26 -7.442 23.449 4.698 957 H LEU 27 H LEU 27 -2.157 19.270 2.965 958 HA LEU 27 HA LEU 27 -0.788 16.809 3.828 959 HB2 LEU 27 HB1 LEU 27 -1.127 15.989 1.577 960 HB3 LEU 27 HB2 LEU 27 -2.663 16.496 2.319 961 HG LEU 27 HG LEU 27 -1.192 18.328 0.424 962 HD11 LEU 27 HD11 LEU 27 -2.530 17.333 -1.431 963 HD12 LEU 27 HD12 LEU 27 -1.438 16.124 -0.714 964 HD13 LEU 27 HD13 LEU 27 -3.172 16.110 -0.309 965 HD21 LEU 27 HD21 LEU 27 -3.492 19.147 -0.056 966 HD22 LEU 27 HD22 LEU 27 -4.152 17.933 1.063 967 HD23 LEU 27 HD23 LEU 27 -3.126 19.249 1.681 968 H THR 28 H THR 28 0.163 19.886 3.262 969 HA THR 28 HA THR 28 2.854 19.013 2.369 970 HB THR 28 HB THR 28 3.102 21.383 1.432 971 HG1 THR 28 HG1 THR 28 1.089 22.276 0.754 972 HG21 THR 28 HG21 THR 28 2.013 20.817 -0.735 973 HG22 THR 28 HG22 THR 28 2.853 19.407 -0.055 974 HG23 THR 28 HG23 THR 28 1.083 19.540 0.078 975 H LEU 29 H LEU 29 4.564 20.644 3.035 976 HA LEU 29 HA LEU 29 4.157 22.546 5.119 977 HB2 LEU 29 HB1 LEU 29 5.086 21.579 7.009 978 HB3 LEU 29 HB2 LEU 29 3.941 20.366 6.390 979 HG LEU 29 HG LEU 29 6.957 20.270 6.147 980 HD11 LEU 29 HD11 LEU 29 6.764 18.380 7.755 981 HD12 LEU 29 HD12 LEU 29 6.105 19.880 8.446 982 HD13 LEU 29 HD13 LEU 29 5.005 18.627 7.824 983 HD21 LEU 29 HD21 LEU 29 6.668 17.941 5.352 984 HD22 LEU 29 HD22 LEU 29 4.907 18.156 5.392 985 HD23 LEU 29 HD23 LEU 29 5.897 19.099 4.253 986 H SER 30 H SER 30 6.552 23.329 5.960 987 HA SER 30 HA SER 30 8.128 23.635 3.565 988 HB2 SER 30 HB1 SER 30 9.662 24.941 4.791 989 HB3 SER 30 HB2 SER 30 8.063 25.290 5.491 990 HG SER 30 HG SER 30 9.679 24.938 7.093 991 H ARG 31 H ARG 31 10.228 22.870 3.012 992 HA ARG 31 HA ARG 31 10.958 20.239 3.811 993 HB2 ARG 31 HB1 ARG 31 11.434 21.124 1.624 994 HB3 ARG 31 HB2 ARG 31 12.508 22.359 2.322 995 HG2 ARG 31 HG1 ARG 31 14.208 20.839 2.752 996 HG3 ARG 31 HG2 ARG 31 13.094 19.455 2.847 997 HD2 ARG 31 HD1 ARG 31 12.724 19.992 0.279 998 HD3 ARG 31 HD2 ARG 31 14.311 20.775 0.436 999 HE ARG 31 HE ARG 31 15.288 18.642 0.987 1000 HH11 ARG 31 HH12 ARG 31 11.945 18.423 -0.126 1001 HH12 ARG 31 HH11 ARG 31 12.045 16.718 -0.470 1002 HH21 ARG 31 HH22 ARG 31 15.300 16.348 0.523 1003 HH22 ARG 31 HH21 ARG 31 13.871 15.587 -0.115 1004 H LYS 32 H LYS 32 11.634 23.279 5.444 1005 HA LYS 32 HA LYS 32 13.576 22.043 7.198 1006 HB2 LYS 32 HB1 LYS 32 13.047 24.576 6.838 1007 HB3 LYS 32 HB2 LYS 32 11.793 24.301 8.071 1008 HG2 LYS 32 HG1 LYS 32 14.698 23.572 8.505 1009 HG3 LYS 32 HG2 LYS 32 14.058 25.195 8.858 1010 HD2 LYS 32 HD1 LYS 32 12.869 22.746 10.157 1011 HD3 LYS 32 HD2 LYS 32 14.350 23.501 10.795 1012 HE2 LYS 32 HE1 LYS 32 13.247 25.433 11.453 1013 HE3 LYS 32 HE2 LYS 32 11.945 25.226 10.261 1014 HZ1 LYS 32 HZ1 LYS 32 11.189 24.788 12.488 1015 HZ2 LYS 32 HZ2 LYS 32 11.110 23.412 11.582 1016 HZ3 LYS 32 HZ3 LYS 32 12.318 23.604 12.689 1017 H GLU 33 H GLU 33 9.932 22.426 7.434 1018 HA GLU 33 HA GLU 33 9.944 21.461 10.104 1019 HB2 GLU 33 HB1 GLU 33 7.695 21.647 8.114 1020 HB3 GLU 33 HB2 GLU 33 7.485 21.100 9.795 1021 HG2 GLU 33 HG1 GLU 33 7.745 23.812 8.693 1022 HG3 GLU 33 HG2 GLU 33 6.962 23.243 10.183 1023 H LEU 34 H LEU 34 9.698 19.596 7.024 1024 HA LEU 34 HA LEU 34 9.093 17.093 8.154 1025 HB2 LEU 34 HB1 LEU 34 9.163 17.426 5.800 1026 HB3 LEU 34 HB2 LEU 34 10.884 17.877 5.852 1027 HG LEU 34 HG LEU 34 11.497 15.585 6.404 1028 HD11 LEU 34 HD11 LEU 34 9.799 13.772 6.385 1029 HD12 LEU 34 HD12 LEU 34 9.461 14.954 7.670 1030 HD13 LEU 34 HD13 LEU 34 8.518 14.984 6.162 1031 HD21 LEU 34 HD21 LEU 34 10.833 14.451 4.288 1032 HD22 LEU 34 HD22 LEU 34 9.554 15.661 4.048 1033 HD23 LEU 34 HD23 LEU 34 11.265 16.149 3.993 1034 H LYS 35 H LYS 35 12.324 18.711 8.081 1035 HA LYS 35 HA LYS 35 13.725 16.557 9.320 1036 HB2 LYS 35 HB1 LYS 35 15.493 17.858 9.026 1037 HB3 LYS 35 HB2 LYS 35 14.373 18.936 8.157 1038 HG2 LYS 35 HG1 LYS 35 14.056 20.028 10.529 1039 HG3 LYS 35 HG2 LYS 35 15.619 19.250 10.871 1040 HD2 LYS 35 HD1 LYS 35 15.121 21.099 8.518 1041 HD3 LYS 35 HD2 LYS 35 15.755 21.640 10.090 1042 HE2 LYS 35 HE1 LYS 35 17.771 20.345 9.792 1043 HE3 LYS 35 HE2 LYS 35 17.122 19.581 8.325 1044 HZ1 LYS 35 HZ1 LYS 35 18.594 21.394 7.806 1045 HZ2 LYS 35 HZ2 LYS 35 17.064 21.748 7.300 1046 HZ3 LYS 35 HZ3 LYS 35 17.666 22.458 8.662 1047 H GLU 36 H GLU 36 11.726 19.110 10.657 1048 HA GLU 36 HA GLU 36 12.421 18.762 13.433 1049 HB2 GLU 36 HB1 GLU 36 11.370 20.767 12.034 1050 HB3 GLU 36 HB2 GLU 36 9.836 19.961 12.441 1051 HG2 GLU 36 HG1 GLU 36 10.205 21.608 14.126 1052 HG3 GLU 36 HG2 GLU 36 10.578 20.039 14.871 1053 H LEU 37 H LEU 37 9.613 17.863 11.439 1054 HA LEU 37 HA LEU 37 8.053 16.358 13.182 1055 HB2 LEU 37 HB1 LEU 37 7.238 17.123 11.117 1056 HB3 LEU 37 HB2 LEU 37 8.601 16.416 10.216 1057 HG LEU 37 HG LEU 37 7.677 14.207 10.452 1058 HD11 LEU 37 HD11 LEU 37 5.452 13.778 11.431 1059 HD12 LEU 37 HD12 LEU 37 6.598 14.376 12.649 1060 HD13 LEU 37 HD13 LEU 37 5.370 15.470 11.967 1061 HD21 LEU 37 HD21 LEU 37 5.642 14.542 9.070 1062 HD22 LEU 37 HD22 LEU 37 5.585 16.247 9.570 1063 HD23 LEU 37 HD23 LEU 37 6.941 15.654 8.581 1064 H ILE 38 H ILE 38 10.671 15.098 10.968 1065 HA ILE 38 HA ILE 38 10.332 12.446 12.006 1066 HB ILE 38 HB ILE 38 12.556 13.670 10.362 1067 HG12 ILE 38 HG13 ILE 38 10.313 11.695 9.747 1068 HG13 ILE 38 HG12 ILE 38 10.265 13.436 9.383 1069 HG21 ILE 38 HG21 ILE 38 13.357 11.350 9.989 1070 HG22 ILE 38 HG22 ILE 38 13.490 11.805 11.704 1071 HG23 ILE 38 HG23 ILE 38 12.164 10.748 11.165 1072 HD11 ILE 38 HD11 ILE 38 10.811 12.118 7.362 1073 HD12 ILE 38 HD12 ILE 38 12.162 13.167 7.837 1074 HD13 ILE 38 HD13 ILE 38 12.213 11.426 8.201 1075 H LYS 39 H LYS 39 12.932 14.928 12.791 1076 HA LYS 39 HA LYS 39 14.082 13.023 14.597 1077 HB2 LYS 39 HB1 LYS 39 14.862 15.498 13.490 1078 HB3 LYS 39 HB2 LYS 39 14.957 15.675 15.258 1079 HG2 LYS 39 HG1 LYS 39 16.333 13.590 13.537 1080 HG3 LYS 39 HG2 LYS 39 17.094 14.934 14.423 1081 HD2 LYS 39 HD1 LYS 39 15.709 12.542 15.680 1082 HD3 LYS 39 HD2 LYS 39 17.468 12.758 15.513 1083 HE2 LYS 39 HE1 LYS 39 17.566 14.365 17.182 1084 HE3 LYS 39 HE2 LYS 39 15.876 14.862 16.953 1085 HZ1 LYS 39 HZ1 LYS 39 16.169 13.606 18.964 1086 HZ2 LYS 39 HZ2 LYS 39 15.199 12.778 17.917 1087 HZ3 LYS 39 HZ3 LYS 39 16.768 12.316 18.129 1088 H LYS 40 H LYS 40 11.502 15.362 15.154 1089 HA LYS 40 HA LYS 40 11.616 14.915 18.043 1090 HB2 LYS 40 HB1 LYS 40 9.688 16.396 16.249 1091 HB3 LYS 40 HB2 LYS 40 9.409 16.172 17.994 1092 HG2 LYS 40 HG1 LYS 40 11.752 17.177 18.354 1093 HG3 LYS 40 HG2 LYS 40 11.707 17.647 16.638 1094 HD2 LYS 40 HD1 LYS 40 9.801 19.032 16.956 1095 HD3 LYS 40 HD2 LYS 40 9.453 18.319 18.550 1096 HE2 LYS 40 HE1 LYS 40 10.352 20.463 18.991 1097 HE3 LYS 40 HE2 LYS 40 11.660 19.310 19.333 1098 HZ1 LYS 40 HZ1 LYS 40 12.447 21.212 18.126 1099 HZ2 LYS 40 HZ2 LYS 40 12.608 19.850 17.214 1100 HZ3 LYS 40 HZ3 LYS 40 11.395 20.921 16.894 1101 H GLU 41 H GLU 41 9.210 14.030 15.444 1102 HA GLU 41 HA GLU 41 7.694 12.527 17.407 1103 HB2 GLU 41 HB1 GLU 41 7.288 12.551 14.410 1104 HB3 GLU 41 HB2 GLU 41 6.120 12.066 15.662 1105 HG2 GLU 41 HG1 GLU 41 7.176 14.875 15.237 1106 HG3 GLU 41 HG2 GLU 41 5.615 14.260 14.648 1107 H LEU 42 H LEU 42 10.440 11.665 15.574 1108 HA LEU 42 HA LEU 42 9.992 8.822 16.194 1109 HB2 LEU 42 HB1 LEU 42 9.480 9.700 13.696 1110 HB3 LEU 42 HB2 LEU 42 11.231 9.421 13.548 1111 HG LEU 42 HG LEU 42 9.120 7.416 14.393 1112 HD11 LEU 42 HD11 LEU 42 9.782 6.297 12.284 1113 HD12 LEU 42 HD12 LEU 42 9.212 7.956 11.982 1114 HD13 LEU 42 HD13 LEU 42 10.955 7.597 11.965 1115 HD21 LEU 42 HD21 LEU 42 10.906 5.711 14.425 1116 HD22 LEU 42 HD22 LEU 42 12.112 6.979 14.127 1117 HD23 LEU 42 HD23 LEU 42 11.185 6.970 15.646 1118 H CYS 43 H CYS 43 11.539 8.616 17.751 1119 HA CYS 43 HA CYS 43 13.996 10.088 17.713 1120 HB2 CYS 43 HB1 CYS 43 14.414 9.030 19.857 1121 HB3 CYS 43 HB2 CYS 43 12.710 9.536 19.751 1122 HG CYS 43 HG CYS 43 12.880 7.244 21.006 1123 H LEU 44 H LEU 44 13.554 7.677 15.616 1124 HA LEU 44 HA LEU 44 15.863 6.037 16.143 1125 HB2 LEU 44 HB1 LEU 44 15.185 4.796 14.432 1126 HB3 LEU 44 HB2 LEU 44 13.670 5.675 14.742 1127 HG LEU 44 HG LEU 44 15.525 5.788 12.420 1128 HD11 LEU 44 HD11 LEU 44 13.415 5.570 11.135 1129 HD12 LEU 44 HD12 LEU 44 13.566 4.301 12.370 1130 HD13 LEU 44 HD13 LEU 44 12.492 5.695 12.649 1131 HD21 LEU 44 HD21 LEU 44 14.444 7.777 11.443 1132 HD22 LEU 44 HD22 LEU 44 13.542 8.007 12.950 1133 HD23 LEU 44 HD23 LEU 44 15.316 8.160 12.937 1134 H GLY 45 H GLY 45 15.960 9.229 15.553 1135 HA2 GLY 45 HA2 GLY 45 17.627 8.823 13.546 1136 H GLU 46 H GLU 46 18.451 9.831 16.461 1137 HA GLU 46 HA GLU 46 21.243 9.992 15.761 1138 HB2 GLU 46 HB1 GLU 46 21.507 10.028 18.262 1139 HB3 GLU 46 HB2 GLU 46 20.505 11.318 17.554 1140 HG2 GLU 46 HG1 GLU 46 19.091 8.894 18.579 1141 HG3 GLU 46 HG2 GLU 46 19.810 9.992 19.777 1142 H MET 47 H MET 47 19.220 7.240 16.059 1143 HA MET 47 HA MET 47 21.075 5.520 17.429 1144 HB2 MET 47 HB1 MET 47 18.762 4.821 15.599 1145 HB3 MET 47 HB2 MET 47 19.632 3.683 16.656 1146 HG2 MET 47 HG1 MET 47 18.903 5.058 18.612 1147 HG3 MET 47 HG2 MET 47 17.915 6.026 17.504 1148 HE1 MET 47 HE1 MET 47 16.004 2.297 16.305 1149 HE2 MET 47 HE2 MET 47 16.611 3.766 15.524 1150 HE3 MET 47 HE3 MET 47 17.749 2.518 16.083 1151 H LYS 48 H LYS 48 21.095 6.669 14.191 1152 HA LYS 48 HA LYS 48 23.294 4.881 13.414 1153 HB2 LYS 48 HB1 LYS 48 21.300 5.566 11.315 1154 HB3 LYS 48 HB2 LYS 48 22.364 4.147 11.467 1155 HG2 LYS 48 HG1 LYS 48 20.249 3.265 11.571 1156 HG3 LYS 48 HG2 LYS 48 20.743 3.368 13.278 1157 HD2 LYS 48 HD1 LYS 48 18.384 4.051 12.816 1158 HD3 LYS 48 HD2 LYS 48 19.373 5.272 13.652 1159 HE2 LYS 48 HE1 LYS 48 19.216 5.460 10.677 1160 HE3 LYS 48 HE2 LYS 48 17.747 5.861 11.594 1161 HZ1 LYS 48 HZ1 LYS 48 19.125 7.785 11.239 1162 HZ2 LYS 48 HZ2 LYS 48 19.038 7.441 12.849 1163 HZ3 LYS 48 HZ3 LYS 48 20.402 7.070 11.999 1164 H GLU 49 H GLU 49 24.770 5.973 12.030 1165 HA GLU 49 HA GLU 49 24.237 8.846 11.523 1166 HB2 GLU 49 HB1 GLU 49 26.904 8.744 11.373 1167 HB3 GLU 49 HB2 GLU 49 26.012 9.035 12.885 1168 HG2 GLU 49 HG1 GLU 49 27.945 7.515 13.157 1169 HG3 GLU 49 HG2 GLU 49 26.400 6.770 13.620 1170 H SER 50 H SER 50 25.836 5.937 10.016 1171 HA SER 50 HA SER 50 26.924 7.604 7.950 1172 HB2 SER 50 HB1 SER 50 26.912 4.648 8.510 1173 HB3 SER 50 HB2 SER 50 27.491 5.256 6.941 1174 HG SER 50 HG SER 50 29.168 5.088 8.503 1175 H SER 51 H SER 51 26.326 8.029 5.949 1176 HA SER 51 HA SER 51 25.230 8.156 3.992 1177 HB2 SER 51 HB1 SER 51 23.792 5.570 4.674 1178 HB3 SER 51 HB2 SER 51 23.973 6.316 3.067 1179 HG SER 51 HG SER 51 25.470 4.606 3.428 1180 H ILE 52 H ILE 52 23.099 7.342 6.782 1181 HA ILE 52 HA ILE 52 20.826 8.653 5.583 1182 HB ILE 52 HB ILE 52 19.639 8.296 7.546 1183 HG12 ILE 52 HG13 ILE 52 20.897 7.171 9.579 1184 HG13 ILE 52 HG12 ILE 52 22.249 8.166 8.988 1185 HG21 ILE 52 HG21 ILE 52 19.950 5.868 7.928 1186 HG22 ILE 52 HG22 ILE 52 20.125 6.290 6.212 1187 HG23 ILE 52 HG23 ILE 52 21.568 5.968 7.203 1188 HD11 ILE 52 HD11 ILE 52 20.977 9.354 10.758 1189 HD12 ILE 52 HD12 ILE 52 20.850 10.194 9.199 1190 HD13 ILE 52 HD13 ILE 52 19.497 9.201 9.789 1191 H ASP 53 H ASP 53 23.560 9.799 7.442 1192 HA ASP 53 HA ASP 53 22.477 12.216 8.404 1193 HB2 ASP 53 HB1 ASP 53 24.672 11.211 9.056 1194 HB3 ASP 53 HB2 ASP 53 25.331 11.712 7.484 1195 H ASP 54 H ASP 54 23.717 11.452 5.112 1196 HA ASP 54 HA ASP 54 23.583 14.169 4.181 1197 HB2 ASP 54 HB1 ASP 54 24.968 12.363 3.138 1198 HB3 ASP 54 HB2 ASP 54 23.472 11.624 2.528 1199 H LEU 55 H LEU 55 21.157 11.558 4.357 1200 HA LEU 55 HA LEU 55 19.133 12.869 2.838 1201 HB2 LEU 55 HB1 LEU 55 18.718 11.160 5.304 1202 HB3 LEU 55 HB2 LEU 55 17.567 11.459 3.978 1203 HG LEU 55 HG LEU 55 20.165 9.901 3.740 1204 HD11 LEU 55 HD11 LEU 55 18.679 7.923 3.563 1205 HD12 LEU 55 HD12 LEU 55 18.466 8.749 5.124 1206 HD13 LEU 55 HD13 LEU 55 17.261 8.964 3.832 1207 HD21 LEU 55 HD21 LEU 55 19.307 9.236 1.516 1208 HD22 LEU 55 HD22 LEU 55 17.890 10.285 1.752 1209 HD23 LEU 55 HD23 LEU 55 19.516 10.998 1.626 1210 H MET 56 H MET 56 20.197 13.265 6.261 1211 HA MET 56 HA MET 56 18.290 15.352 6.781 1212 HB2 MET 56 HB1 MET 56 20.848 14.654 8.236 1213 HB3 MET 56 HB2 MET 56 19.607 15.794 8.810 1214 HG2 MET 56 HG1 MET 56 18.190 13.469 8.134 1215 HG3 MET 56 HG2 MET 56 19.664 12.876 8.919 1216 HE1 MET 56 HE1 MET 56 16.176 15.217 10.809 1217 HE2 MET 56 HE2 MET 56 17.025 15.828 9.371 1218 HE3 MET 56 HE3 MET 56 16.157 14.275 9.300 1219 H LYS 57 H LYS 57 21.532 15.477 5.225 1220 HA LYS 57 HA LYS 57 21.496 18.363 5.117 1221 HB2 LYS 57 HB1 LYS 57 22.969 16.245 3.590 1222 HB3 LYS 57 HB2 LYS 57 22.923 17.911 2.960 1223 HG2 LYS 57 HG1 LYS 57 24.953 17.714 4.134 1224 HG3 LYS 57 HG2 LYS 57 23.870 18.647 5.193 1225 HD2 LYS 57 HD1 LYS 57 23.879 15.705 5.593 1226 HD3 LYS 57 HD2 LYS 57 25.378 16.561 6.027 1227 HE2 LYS 57 HE1 LYS 57 24.214 17.955 7.609 1228 HE3 LYS 57 HE2 LYS 57 22.632 17.379 7.044 1229 HZ1 LYS 57 HZ1 LYS 57 23.314 16.276 9.045 1230 HZ2 LYS 57 HZ2 LYS 57 23.227 15.190 7.806 1231 HZ3 LYS 57 HZ3 LYS 57 24.696 15.724 8.331 1232 H SER 58 H SER 58 20.008 15.838 3.010 1233 HA SER 58 HA SER 58 19.148 17.594 0.943 1234 HB2 SER 58 HB1 SER 58 19.084 15.136 0.797 1235 HB3 SER 58 HB2 SER 58 17.793 15.098 2.023 1236 HG SER 58 HG SER 58 16.982 14.995 -0.125 1237 H LEU 59 H LEU 59 17.657 16.821 4.094 1238 HA LEU 59 HA LEU 59 15.481 18.725 3.818 1239 HB2 LEU 59 HB1 LEU 59 16.597 17.296 6.250 1240 HB3 LEU 59 HB2 LEU 59 15.044 18.163 6.161 1241 HG LEU 59 HG LEU 59 15.790 15.621 4.676 1242 HD11 LEU 59 HD11 LEU 59 14.084 14.640 6.181 1243 HD12 LEU 59 HD12 LEU 59 15.405 15.390 7.111 1244 HD13 LEU 59 HD13 LEU 59 13.844 16.229 6.949 1245 HD21 LEU 59 HD21 LEU 59 13.437 15.569 3.926 1246 HD22 LEU 59 HD22 LEU 59 13.164 17.157 4.676 1247 HD23 LEU 59 HD23 LEU 59 14.284 17.002 3.300 1248 H ASP 60 H ASP 60 18.686 19.329 4.113 1249 HA ASP 60 HA ASP 60 18.282 21.787 5.719 1250 HB2 ASP 60 HB1 ASP 60 20.028 20.089 6.427 1251 HB3 ASP 60 HB2 ASP 60 20.911 20.487 4.938 1252 H LYS 61 H LYS 61 19.242 20.634 2.481 1253 HA LYS 61 HA LYS 61 20.503 23.156 1.806 1254 HB2 LYS 61 HB1 LYS 61 19.784 20.711 0.187 1255 HB3 LYS 61 HB2 LYS 61 20.670 22.113 -0.460 1256 HG2 LYS 61 HG1 LYS 61 21.635 19.778 0.881 1257 HG3 LYS 61 HG2 LYS 61 22.525 21.063 0.028 1258 HD2 LYS 61 HD1 LYS 61 21.809 21.098 2.966 1259 HD3 LYS 61 HD2 LYS 61 23.371 20.576 2.291 1260 HE2 LYS 61 HE1 LYS 61 23.961 22.766 1.652 1261 HE3 LYS 61 HE2 LYS 61 22.290 23.354 1.780 1262 HZ1 LYS 61 HZ1 LYS 61 23.627 24.064 3.635 1263 HZ2 LYS 61 HZ2 LYS 61 22.432 23.050 4.153 1264 HZ3 LYS 61 HZ3 LYS 61 23.985 22.504 4.036 1265 H ASN 62 H ASN 62 17.313 21.758 1.255 1266 HA ASN 62 HA ASN 62 16.533 24.162 -0.307 1267 HB2 ASN 62 HB1 ASN 62 15.997 21.244 -0.831 1268 HB3 ASN 62 HB2 ASN 62 14.925 22.501 -1.486 1269 HD21 ASN 62 HD21 ASN 62 15.861 24.169 -2.847 1270 HD22 ASN 62 HD22 ASN 62 17.369 23.895 -3.697 1271 H SER 63 H SER 63 16.363 23.782 2.480 1272 HA SER 63 HA SER 63 14.104 22.952 3.752 1273 HB2 SER 63 HB1 SER 63 15.900 25.343 4.359 1274 HB3 SER 63 HB2 SER 63 14.860 24.512 5.541 1275 HG SER 63 HG SER 63 17.042 23.787 5.612 1276 H ASP 64 H ASP 64 14.160 25.915 1.824 1277 HA ASP 64 HA ASP 64 12.057 27.162 3.532 1278 HB2 ASP 64 HB1 ASP 64 14.403 28.162 2.486 1279 HB3 ASP 64 HB2 ASP 64 13.204 28.726 1.303 1280 H GLN 65 H GLN 65 12.041 25.035 1.230 1281 HA GLN 65 HA GLN 65 9.916 26.184 -0.506 1282 HB2 GLN 65 HB1 GLN 65 11.830 23.826 -0.690 1283 HB3 GLN 65 HB2 GLN 65 10.501 24.096 -1.844 1284 HG2 GLN 65 HG1 GLN 65 11.499 26.284 -2.455 1285 HG3 GLN 65 HG2 GLN 65 12.839 25.977 -1.329 1286 HE21 GLN 65 HE12 GLN 65 11.122 24.277 -4.049 1287 HE22 GLN 65 HE22 GLN 65 12.583 23.612 -4.744 1288 H GLU 66 H GLU 66 8.145 24.689 -1.102 1289 HA GLU 66 HA GLU 66 7.150 23.253 1.192 1290 HB2 GLU 66 HB1 GLU 66 5.862 23.088 -1.514 1291 HB3 GLU 66 HB2 GLU 66 5.121 23.014 0.102 1292 HG2 GLU 66 HG1 GLU 66 4.402 25.078 -0.500 1293 HG3 GLU 66 HG2 GLU 66 5.979 25.548 0.173 1294 H ILE 67 H ILE 67 6.678 21.138 1.426 1295 HA ILE 67 HA ILE 67 7.253 19.213 -0.751 1296 HB ILE 67 HB ILE 67 7.595 17.647 1.424 1297 HG12 ILE 67 HG13 ILE 67 9.050 20.174 2.216 1298 HG13 ILE 67 HG12 ILE 67 7.517 19.632 2.940 1299 HG21 ILE 67 HG21 ILE 67 10.003 17.625 0.957 1300 HG22 ILE 67 HG22 ILE 67 9.040 17.662 -0.535 1301 HG23 ILE 67 HG23 ILE 67 9.834 19.143 0.049 1302 HD11 ILE 67 HD11 ILE 67 9.442 18.958 4.319 1303 HD12 ILE 67 HD12 ILE 67 8.593 17.544 3.655 1304 HD13 ILE 67 HD13 ILE 67 10.126 18.084 2.929 1305 H ASP 68 H ASP 68 5.865 17.412 -0.744 1306 HA ASP 68 HA ASP 68 3.479 17.548 0.987 1307 HB2 ASP 68 HB1 ASP 68 2.375 16.296 -0.662 1308 HB3 ASP 68 HB2 ASP 68 3.452 17.353 -1.599 1309 H PHE 69 H PHE 69 2.550 15.278 1.338 1310 HA PHE 69 HA PHE 69 3.861 13.808 3.284 1311 HB2 PHE 69 HB1 PHE 69 1.390 13.989 2.209 1312 HB3 PHE 69 HB2 PHE 69 1.895 12.448 1.494 1313 HD1 PHE 69 HD2 PHE 69 2.598 10.537 3.094 1314 HD2 PHE 69 HD1 PHE 69 0.613 14.126 4.409 1315 HE1 PHE 69 HE2 PHE 69 1.817 9.359 5.141 1316 HE2 PHE 69 HE1 PHE 69 -0.187 12.938 6.434 1317 HZ PHE 69 HZ PHE 69 0.413 10.559 6.803 1318 H LYS 70 H LYS 70 4.647 13.564 -0.130 1319 HA LYS 70 HA LYS 70 5.110 10.685 -0.169 1320 HB2 LYS 70 HB1 LYS 70 4.424 12.126 -2.100 1321 HB3 LYS 70 HB2 LYS 70 6.026 12.899 -2.034 1322 HG2 LYS 70 HG1 LYS 70 6.254 10.013 -2.260 1323 HG3 LYS 70 HG2 LYS 70 5.258 10.692 -3.570 1324 HD2 LYS 70 HD1 LYS 70 7.341 10.834 -4.539 1325 HD3 LYS 70 HD2 LYS 70 7.267 12.423 -3.741 1326 HE2 LYS 70 HE1 LYS 70 8.480 11.417 -1.784 1327 HE3 LYS 70 HE2 LYS 70 8.672 9.925 -2.729 1328 HZ1 LYS 70 HZ1 LYS 70 10.606 11.314 -2.859 1329 HZ2 LYS 70 HZ2 LYS 70 9.900 11.181 -4.342 1330 HZ3 LYS 70 HZ3 LYS 70 9.723 12.567 -3.463 1331 H GLU 71 H GLU 71 7.164 13.625 -0.197 1332 HA GLU 71 HA GLU 71 9.695 12.381 -0.014 1333 HB2 GLU 71 HB1 GLU 71 8.580 15.040 0.938 1334 HB3 GLU 71 HB2 GLU 71 10.298 14.610 1.115 1335 HG2 GLU 71 HG1 GLU 71 8.902 14.269 -1.550 1336 HG3 GLU 71 HG2 GLU 71 9.507 15.865 -1.059 1337 H TYR 72 H TYR 72 7.313 13.281 2.468 1338 HA TYR 72 HA TYR 72 8.832 12.435 4.732 1339 HB2 TYR 72 HB1 TYR 72 7.025 13.934 4.960 1340 HB3 TYR 72 HB2 TYR 72 5.909 12.843 4.123 1341 HD1 TYR 72 HD2 TYR 72 8.136 12.687 7.178 1342 HD2 TYR 72 HD1 TYR 72 4.315 11.775 5.427 1343 HE1 TYR 72 HE2 TYR 72 7.262 12.094 9.424 1344 HE2 TYR 72 HE1 TYR 72 3.427 11.175 7.673 1345 HH TYR 72 HH TYR 72 5.465 11.436 10.638 1346 H SER 73 H SER 73 6.412 10.594 2.738 1347 HA SER 73 HA SER 73 6.654 8.262 4.395 1348 HB2 SER 73 HB1 SER 73 5.253 7.164 2.778 1349 HB3 SER 73 HB2 SER 73 4.647 8.814 3.054 1350 HG SER 73 HG SER 73 4.694 8.244 0.836 1351 H VAL 74 H VAL 74 8.295 9.174 1.292 1352 HA VAL 74 HA VAL 74 9.587 6.601 1.151 1353 HB VAL 74 HB VAL 74 10.954 7.379 -0.600 1354 HG11 VAL 74 HG11 VAL 74 9.244 7.959 -2.266 1355 HG12 VAL 74 HG12 VAL 74 8.677 6.718 -1.129 1356 HG13 VAL 74 HG13 VAL 74 8.131 8.403 -0.956 1357 HG21 VAL 74 HG21 VAL 74 10.963 9.641 -1.554 1358 HG22 VAL 74 HG22 VAL 74 9.936 10.193 -0.218 1359 HG23 VAL 74 HG23 VAL 74 11.585 9.607 0.106 1360 H PHE 75 H PHE 75 10.533 9.728 2.590 1361 HA PHE 75 HA PHE 75 13.248 8.984 3.170 1362 HB2 PHE 75 HB1 PHE 75 12.179 11.284 3.142 1363 HB3 PHE 75 HB2 PHE 75 11.431 10.871 4.694 1364 HD1 PHE 75 HD2 PHE 75 13.190 10.093 6.598 1365 HD2 PHE 75 HD1 PHE 75 14.112 12.461 3.124 1366 HE1 PHE 75 HE2 PHE 75 15.160 11.059 7.775 1367 HE2 PHE 75 HE1 PHE 75 16.086 13.394 4.284 1368 HZ PHE 75 HZ PHE 75 16.637 12.678 6.599 1369 H LEU 76 H LEU 76 10.190 8.774 5.134 1370 HA LEU 76 HA LEU 76 11.329 7.470 7.373 1371 HB2 LEU 76 HB1 LEU 76 8.589 7.415 6.089 1372 HB3 LEU 76 HB2 LEU 76 8.953 6.520 7.584 1373 HG LEU 76 HG LEU 76 9.255 9.530 7.250 1374 HD11 LEU 76 HD11 LEU 76 7.166 9.630 8.571 1375 HD12 LEU 76 HD12 LEU 76 6.913 8.765 7.034 1376 HD13 LEU 76 HD13 LEU 76 7.065 7.851 8.555 1377 HD21 LEU 76 HD21 LEU 76 9.432 9.540 9.715 1378 HD22 LEU 76 HD22 LEU 76 9.345 7.764 9.730 1379 HD23 LEU 76 HD23 LEU 76 10.737 8.581 8.978 1380 H THR 77 H THR 77 9.890 6.073 4.396 1381 HA THR 77 HA THR 77 10.249 3.336 4.926 1382 HB THR 77 HB THR 77 10.232 4.955 2.369 1383 HG1 THR 77 HG1 THR 77 8.136 4.058 2.343 1384 HG21 THR 77 HG21 THR 77 9.818 2.866 1.128 1385 HG22 THR 77 HG22 THR 77 11.427 2.868 1.881 1386 HG23 THR 77 HG23 THR 77 10.102 1.933 2.614 1387 H MET 78 H MET 78 12.395 5.530 3.109 1388 HA MET 78 HA MET 78 14.536 3.780 2.609 1389 HB2 MET 78 HB1 MET 78 14.194 5.868 1.441 1390 HB3 MET 78 HB2 MET 78 14.346 6.792 2.955 1391 HG2 MET 78 HG1 MET 78 16.660 6.424 3.082 1392 HG3 MET 78 HG2 MET 78 16.608 5.108 1.895 1393 HE1 MET 78 HE1 MET 78 15.694 9.457 0.493 1394 HE2 MET 78 HE2 MET 78 14.505 8.325 1.174 1395 HE3 MET 78 HE3 MET 78 15.766 9.026 2.216 1396 H LEU 79 H LEU 79 13.985 5.995 5.401 1397 HA LEU 79 HA LEU 79 16.534 5.457 6.584 1398 HB2 LEU 79 HB1 LEU 79 15.149 7.496 6.913 1399 HB3 LEU 79 HB2 LEU 79 14.017 6.523 7.882 1400 HG LEU 79 HG LEU 79 15.581 6.250 9.637 1401 HD11 LEU 79 HD11 LEU 79 17.944 6.992 9.514 1402 HD12 LEU 79 HD12 LEU 79 17.598 5.751 8.291 1403 HD13 LEU 79 HD13 LEU 79 17.704 7.463 7.816 1404 HD21 LEU 79 HD21 LEU 79 16.183 8.598 10.193 1405 HD22 LEU 79 HD22 LEU 79 15.925 9.065 8.496 1406 HD23 LEU 79 HD23 LEU 79 14.553 8.510 9.484 1407 H CYS 80 H CYS 80 13.264 4.023 7.177 1408 HA CYS 80 HA CYS 80 14.107 2.164 9.162 1409 HB2 CYS 80 HB1 CYS 80 11.752 2.781 8.540 1410 HB3 CYS 80 HB2 CYS 80 11.949 1.856 7.029 1411 HG CYS 80 HG CYS 80 10.569 0.455 8.755 1412 H MET 81 H MET 81 14.135 1.938 5.587 1413 HA MET 81 HA MET 81 15.030 -0.763 5.425 1414 HB2 MET 81 HB1 MET 81 13.935 0.945 3.685 1415 HB3 MET 81 HB2 MET 81 15.642 1.162 3.230 1416 HG2 MET 81 HG1 MET 81 15.780 -1.412 3.190 1417 HG3 MET 81 HG2 MET 81 14.011 -1.398 3.248 1418 HE1 MET 81 HE1 MET 81 16.781 -0.058 -0.116 1419 HE2 MET 81 HE2 MET 81 16.832 0.661 1.516 1420 HE3 MET 81 HE3 MET 81 17.189 -1.069 1.296 1421 H ALA 82 H ALA 82 16.767 2.248 5.908 1422 HA ALA 82 HA ALA 82 19.291 1.560 4.883 1423 HB1 ALA 82 HB1 ALA 82 20.068 3.510 6.187 1424 HB2 ALA 82 HB2 ALA 82 18.529 3.848 5.364 1425 HB3 ALA 82 HB3 ALA 82 18.546 3.497 7.108 1426 H TYR 83 H TYR 83 17.848 0.306 7.754 1427 HA TYR 83 HA TYR 83 20.369 -1.077 8.372 1428 HB2 TYR 83 HB1 TYR 83 20.046 -0.676 10.818 1429 HB3 TYR 83 HB2 TYR 83 20.509 0.754 9.880 1430 HD1 TYR 83 HD1 TYR 83 17.734 -0.889 11.737 1431 HD2 TYR 83 HD2 TYR 83 19.058 2.648 9.673 1432 HE1 TYR 83 HE1 TYR 83 15.700 0.317 12.504 1433 HE2 TYR 83 HE2 TYR 83 17.125 3.908 10.579 1434 HH TYR 83 HH TYR 83 15.123 3.750 11.667 1435 H ASN 84 H ASN 84 17.525 -1.634 7.245 1436 HA ASN 84 HA ASN 84 16.327 -3.407 9.181 1437 HB2 ASN 84 HB1 ASN 84 15.444 -2.081 6.903 1438 HB3 ASN 84 HB2 ASN 84 15.368 -3.803 6.466 1439 HD21 ASN 84 HD21 ASN 84 14.404 -1.471 9.011 1440 HD22 ASN 84 HD22 ASN 84 12.948 -2.325 9.486 1441 H ASP 85 H ASP 85 19.150 -3.946 7.896 1442 HA ASP 85 HA ASP 85 18.938 -6.521 6.708 1443 HB2 ASP 85 HB1 ASP 85 20.855 -4.881 6.608 1444 HB3 ASP 85 HB2 ASP 85 21.264 -5.359 8.271 1445 H PHE 86 H PHE 86 18.911 -5.509 10.094 1446 HA PHE 86 HA PHE 86 19.268 -8.084 11.263 1447 HB2 PHE 86 HB1 PHE 86 17.842 -5.584 12.227 1448 HB3 PHE 86 HB2 PHE 86 18.186 -6.995 13.242 1449 HD1 PHE 86 HD1 PHE 86 20.702 -7.763 13.322 1450 HD2 PHE 86 HD2 PHE 86 19.411 -3.826 12.144 1451 HE1 PHE 86 HE1 PHE 86 22.976 -6.879 13.789 1452 HE2 PHE 86 HE2 PHE 86 21.689 -2.943 12.603 1453 HZ PHE 86 HZ PHE 86 23.475 -4.468 13.418 1454 H PHE 87 H PHE 87 16.695 -7.023 9.313 1455 HA PHE 87 HA PHE 87 14.889 -9.115 10.400 1456 HB2 PHE 87 HB1 PHE 87 14.278 -6.812 8.516 1457 HB3 PHE 87 HB2 PHE 87 13.106 -7.968 9.170 1458 HD1 PHE 87 HD1 PHE 87 15.352 -5.141 10.006 1459 HD2 PHE 87 HD2 PHE 87 12.176 -7.690 11.397 1460 HE1 PHE 87 HE1 PHE 87 14.856 -3.519 11.818 1461 HE2 PHE 87 HE2 PHE 87 11.716 -6.096 13.244 1462 HZ PHE 87 HZ PHE 87 13.032 -3.993 13.440 1463 H LEU 88 H LEU 88 17.309 -9.063 8.233 1464 HA LEU 88 HA LEU 88 15.924 -10.306 5.940 1465 HB2 LEU 88 HB1 LEU 88 18.029 -8.499 6.201 1466 HB3 LEU 88 HB2 LEU 88 18.832 -10.028 5.770 1467 HG LEU 88 HG LEU 88 16.547 -8.769 4.225 1468 HD11 LEU 88 HD11 LEU 88 18.256 -8.116 2.559 1469 HD12 LEU 88 HD12 LEU 88 18.571 -7.369 4.141 1470 HD13 LEU 88 HD13 LEU 88 19.528 -8.773 3.612 1471 HD21 LEU 88 HD21 LEU 88 17.138 -10.329 2.403 1472 HD22 LEU 88 HD22 LEU 88 18.391 -11.048 3.436 1473 HD23 LEU 88 HD23 LEU 88 16.673 -11.195 3.883 1474 H GLU 89 H GLU 89 17.767 -12.071 4.961 1475 HA GLU 89 HA GLU 89 18.269 -14.153 7.017 1476 HB2 GLU 89 HB1 GLU 89 18.226 -14.048 4.001 1477 HB3 GLU 89 HB2 GLU 89 19.231 -15.276 4.808 1478 HG2 GLU 89 HG1 GLU 89 17.133 -16.258 4.175 1479 HG3 GLU 89 HG2 GLU 89 17.208 -16.136 5.945 1480 H ASP 90 H ASP 90 19.928 -12.451 4.342 1481 HA ASP 90 HA ASP 90 22.420 -11.920 5.529 1482 HB2 ASP 90 HB1 ASP 90 22.703 -14.335 5.734 1483 HB3 ASP 90 HB2 ASP 90 22.379 -14.542 3.998 1484 H ASN 91 H ASN 91 23.214 -13.157 2.527 1485 HA ASN 91 HA ASN 91 23.152 -12.630 0.365 1486 HB2 ASN 91 HB1 ASN 91 20.969 -10.608 0.925 1487 HB3 ASN 91 HB2 ASN 91 21.409 -11.317 -0.643 1488 HD21 ASN 91 HD21 ASN 91 21.590 -14.030 -0.061 1489 HD22 ASN 91 HD22 ASN 91 20.030 -14.629 0.482 1490 H LYS 92 H LYS 92 22.543 -9.554 1.978 1491 HA LYS 92 HA LYS 92 23.582 -7.632 2.253 1492 HB2 LYS 92 HB1 LYS 92 26.068 -8.531 0.855 1493 HB3 LYS 92 HB2 LYS 92 25.857 -7.278 2.102 1494 HG2 LYS 92 HG1 LYS 92 26.432 -10.144 2.329 1495 HG3 LYS 92 HG2 LYS 92 26.928 -8.768 3.342 1496 HD2 LYS 92 HD1 LYS 92 24.435 -10.440 3.544 1497 HD3 LYS 92 HD2 LYS 92 25.770 -10.283 4.711 1498 HE2 LYS 92 HE1 LYS 92 25.035 -8.190 5.457 1499 HE3 LYS 92 HE2 LYS 92 24.041 -7.912 4.009 1500 HZ1 LYS 92 HZ1 LYS 92 22.709 -8.491 5.905 1501 HZ2 LYS 92 HZ2 LYS 92 22.588 -9.662 4.749 1502 HZ3 LYS 92 HZ3 LYS 92 23.510 -9.920 6.093 Start of MODEL 6 1 HA MET 1 HA MET 1 6.215 1.271 21.572 2 HB2 MET 1 HB1 MET 1 8.700 0.429 20.069 3 HB3 MET 1 HB2 MET 1 8.136 -0.192 21.638 4 HG2 MET 1 HG1 MET 1 6.852 -0.537 18.916 5 HG3 MET 1 HG2 MET 1 7.508 -1.792 19.980 6 HE1 MET 1 HE1 MET 1 4.507 -3.165 21.605 7 HE2 MET 1 HE2 MET 1 5.634 -3.443 20.256 8 HE3 MET 1 HE3 MET 1 6.258 -2.971 21.855 9 H GLU 2 H GLU 2 9.471 2.389 20.397 10 HA GLU 2 HA GLU 2 9.953 4.202 22.531 11 HB2 GLU 2 HB1 GLU 2 11.602 3.369 20.809 12 HB3 GLU 2 HB2 GLU 2 10.809 4.423 19.612 13 HG2 GLU 2 HG1 GLU 2 11.325 6.250 21.543 14 HG3 GLU 2 HG2 GLU 2 12.658 5.116 21.851 15 H THR 3 H THR 3 8.542 4.740 19.247 16 HA THR 3 HA THR 3 7.109 7.119 20.311 17 HB THR 3 HB THR 3 7.583 8.449 18.517 18 HG1 THR 3 HG1 THR 3 8.374 7.662 16.526 19 HG21 THR 3 HG21 THR 3 10.005 8.434 18.053 20 HG22 THR 3 HG22 THR 3 9.661 8.137 19.768 21 HG23 THR 3 HG23 THR 3 10.109 6.785 18.700 22 HA PRO 4 HA PRO 4 3.551 5.284 18.362 23 HB2 PRO 4 HB1 PRO 4 2.030 7.363 17.441 24 HB3 PRO 4 HB2 PRO 4 2.264 7.015 19.186 25 HG2 PRO 4 HG1 PRO 4 3.757 9.019 17.482 26 HG3 PRO 4 HG2 PRO 4 3.006 9.288 19.088 27 HD2 PRO 4 HD1 PRO 4 5.670 8.740 18.799 28 HD3 PRO 4 HD2 PRO 4 4.734 8.087 20.177 29 H LEU 5 H LEU 5 5.333 7.674 16.287 30 HA LEU 5 HA LEU 5 4.143 6.564 13.899 31 HB2 LEU 5 HB1 LEU 5 4.906 8.947 14.122 32 HB3 LEU 5 HB2 LEU 5 6.579 8.352 14.004 33 HG LEU 5 HG LEU 5 4.894 7.139 11.961 34 HD11 LEU 5 HD11 LEU 5 4.415 9.117 10.592 35 HD12 LEU 5 HD12 LEU 5 3.558 9.169 12.149 36 HD13 LEU 5 HD13 LEU 5 5.013 10.164 11.898 37 HD21 LEU 5 HD21 LEU 5 6.638 7.935 10.425 38 HD22 LEU 5 HD22 LEU 5 7.316 8.946 11.722 39 HD23 LEU 5 HD23 LEU 5 7.334 7.172 11.872 40 H GLU 6 H GLU 6 7.251 5.938 15.602 41 HA GLU 6 HA GLU 6 8.282 4.059 13.782 42 HB2 GLU 6 HB1 GLU 6 9.619 4.548 15.589 43 HB3 GLU 6 HB2 GLU 6 8.295 4.342 16.764 44 HG2 GLU 6 HG1 GLU 6 9.079 1.871 15.316 45 HG3 GLU 6 HG2 GLU 6 10.324 2.546 16.388 46 H LYS 7 H LYS 7 5.454 3.644 16.037 47 HA LYS 7 HA LYS 7 5.150 0.874 15.403 48 HB2 LYS 7 HB1 LYS 7 4.004 1.342 17.273 49 HB3 LYS 7 HB2 LYS 7 3.521 2.963 16.717 50 HG2 LYS 7 HG1 LYS 7 2.230 0.477 15.585 51 HG3 LYS 7 HG2 LYS 7 1.682 1.195 17.119 52 HD2 LYS 7 HD1 LYS 7 0.583 2.833 16.038 53 HD3 LYS 7 HD2 LYS 7 2.043 3.264 15.113 54 HE2 LYS 7 HE1 LYS 7 0.294 2.743 13.572 55 HE3 LYS 7 HE2 LYS 7 1.508 1.448 13.512 56 HZ1 LYS 7 HZ1 LYS 7 -0.714 0.587 13.464 57 HZ2 LYS 7 HZ2 LYS 7 0.056 0.112 14.839 58 HZ3 LYS 7 HZ3 LYS 7 -1.072 1.315 14.896 59 H ALA 8 H ALA 8 4.130 3.794 13.673 60 HA ALA 8 HA ALA 8 2.277 2.581 11.884 61 HB1 ALA 8 HB1 ALA 8 2.631 4.594 10.505 62 HB2 ALA 8 HB2 ALA 8 2.438 5.012 12.224 63 HB3 ALA 8 HB3 ALA 8 4.056 5.016 11.483 64 H LEU 9 H LEU 9 5.750 3.417 11.387 65 HA LEU 9 HA LEU 9 6.172 1.898 9.054 66 HB2 LEU 9 HB1 LEU 9 7.902 2.846 11.317 67 HB3 LEU 9 HB2 LEU 9 8.570 1.695 10.136 68 HG LEU 9 HG LEU 9 9.181 4.010 9.656 69 HD11 LEU 9 HD11 LEU 9 8.595 4.051 7.253 70 HD12 LEU 9 HD12 LEU 9 9.030 2.417 7.795 71 HD13 LEU 9 HD13 LEU 9 7.320 2.850 7.552 72 HD21 LEU 9 HD21 LEU 9 7.538 5.661 8.838 73 HD22 LEU 9 HD22 LEU 9 6.226 4.517 9.187 74 HD23 LEU 9 HD23 LEU 9 7.209 5.180 10.516 75 H THR 10 H THR 10 6.129 0.830 12.515 76 HA THR 10 HA THR 10 7.211 -1.767 12.027 77 HB THR 10 HB THR 10 5.339 -0.880 14.246 78 HG1 THR 10 HG1 THR 10 7.364 -0.684 15.323 79 HG21 THR 10 HG21 THR 10 6.343 -2.773 15.505 80 HG22 THR 10 HG22 THR 10 5.493 -3.353 14.056 81 HG23 THR 10 HG23 THR 10 7.270 -3.237 14.061 82 H THR 11 H THR 11 3.873 -0.552 12.040 83 HA THR 11 HA THR 11 2.540 -3.025 11.528 84 HB THR 11 HB THR 11 1.716 -0.196 10.802 85 HG1 THR 11 HG1 THR 11 0.675 -0.304 12.852 86 HG21 THR 11 HG21 THR 11 -0.603 -1.043 11.032 87 HG22 THR 11 HG22 THR 11 0.280 -1.914 9.761 88 HG23 THR 11 HG23 THR 11 0.032 -2.670 11.354 89 H MET 12 H MET 12 3.847 -0.476 9.342 90 HA MET 12 HA MET 12 2.955 -1.679 6.912 91 HB2 MET 12 HB1 MET 12 5.148 0.319 7.537 92 HB3 MET 12 HB2 MET 12 4.723 -0.177 5.882 93 HG2 MET 12 HG1 MET 12 2.578 0.788 6.014 94 HG3 MET 12 HG2 MET 12 2.617 0.864 7.784 95 HE1 MET 12 HE1 MET 12 3.330 4.272 5.048 96 HE2 MET 12 HE2 MET 12 3.406 2.607 4.429 97 HE3 MET 12 HE3 MET 12 1.973 3.158 5.331 98 H VAL 13 H VAL 13 6.142 -1.980 8.647 99 HA VAL 13 HA VAL 13 7.148 -3.777 6.639 100 HB VAL 13 HB VAL 13 8.980 -4.310 8.111 101 HG11 VAL 13 HG11 VAL 13 9.947 -2.043 8.328 102 HG12 VAL 13 HG12 VAL 13 9.075 -2.237 6.791 103 HG13 VAL 13 HG13 VAL 13 8.327 -1.339 8.134 104 HG21 VAL 13 HG21 VAL 13 9.223 -3.314 10.354 105 HG22 VAL 13 HG22 VAL 13 7.584 -2.643 10.226 106 HG23 VAL 13 HG23 VAL 13 7.825 -4.405 10.269 107 H THR 14 H THR 14 5.402 -4.347 9.717 108 HA THR 14 HA THR 14 5.599 -7.167 9.799 109 HB THR 14 HB THR 14 3.327 -5.355 10.686 110 HG1 THR 14 HG1 THR 14 4.400 -5.696 12.691 111 HG21 THR 14 HG21 THR 14 2.691 -7.195 12.231 112 HG22 THR 14 HG22 THR 14 2.542 -7.702 10.534 113 HG23 THR 14 HG23 THR 14 3.942 -8.228 11.502 114 H THR 15 H THR 15 3.021 -5.141 8.323 115 HA THR 15 HA THR 15 1.546 -7.296 7.219 116 HB THR 15 HB THR 15 0.592 -5.512 5.670 117 HG1 THR 15 HG1 THR 15 1.119 -3.381 6.342 118 HG21 THR 15 HG21 THR 15 -0.643 -4.387 7.505 119 HG22 THR 15 HG22 THR 15 -0.482 -6.131 7.812 120 HG23 THR 15 HG23 THR 15 0.565 -4.973 8.669 121 H PHE 16 H PHE 16 4.000 -5.148 5.635 122 HA PHE 16 HA PHE 16 3.882 -6.376 3.088 123 HB2 PHE 16 HB1 PHE 16 4.885 -4.198 3.583 124 HB3 PHE 16 HB2 PHE 16 6.171 -4.988 4.513 125 HD1 PHE 16 HD2 PHE 16 7.843 -6.440 3.326 126 HD2 PHE 16 HD1 PHE 16 5.036 -3.980 1.185 127 HE1 PHE 16 HE2 PHE 16 9.270 -6.561 1.306 128 HE2 PHE 16 HE1 PHE 16 6.535 -3.994 -0.796 129 HZ PHE 16 HZ PHE 16 8.665 -5.275 -0.732 130 H HIS 17 H HIS 17 6.102 -7.129 5.855 131 HA HIS 17 HA HIS 17 7.585 -9.143 4.562 132 HB2 HIS 17 HB1 HIS 17 8.181 -8.115 6.724 133 HB3 HIS 17 HB2 HIS 17 6.806 -8.930 7.491 134 HD1 HIS 17 HD1 HIS 17 7.036 -11.825 7.151 135 HD2 HIS 17 HD2 HIS 17 10.439 -9.368 6.988 136 HE1 HIS 17 HE1 HIS 17 9.049 -13.354 7.512 137 HE2 HIS 17 HE2 HIS 17 11.140 -11.872 7.434 138 H LYS 18 H LYS 18 4.386 -9.383 6.225 139 HA LYS 18 HA LYS 18 4.229 -12.196 6.285 140 HB2 LYS 18 HB1 LYS 18 2.822 -10.469 7.492 141 HB3 LYS 18 HB2 LYS 18 1.908 -10.268 5.979 142 HG2 LYS 18 HG1 LYS 18 2.209 -13.081 6.827 143 HG3 LYS 18 HG2 LYS 18 1.312 -12.072 7.986 144 HD2 LYS 18 HD1 LYS 18 0.559 -11.797 5.116 145 HD3 LYS 18 HD2 LYS 18 0.148 -13.340 5.902 146 HE2 LYS 18 HE1 LYS 18 -1.683 -11.646 5.991 147 HE3 LYS 18 HE2 LYS 18 -1.152 -12.215 7.587 148 HZ1 LYS 18 HZ1 LYS 18 -1.494 -9.856 7.555 149 HZ2 LYS 18 HZ2 LYS 18 0.094 -10.199 7.823 150 HZ3 LYS 18 HZ3 LYS 18 -0.399 -9.669 6.339 151 H TYR 19 H TYR 19 3.883 -10.099 3.509 152 HA TYR 19 HA TYR 19 2.878 -12.371 1.876 153 HB2 TYR 19 HB1 TYR 19 2.779 -9.373 1.424 154 HB3 TYR 19 HB2 TYR 19 2.277 -10.575 0.223 155 HD1 TYR 19 HD1 TYR 19 0.212 -11.929 0.581 156 HD2 TYR 19 HD2 TYR 19 1.447 -8.908 3.376 157 HE1 TYR 19 HE1 TYR 19 -2.003 -12.062 1.693 158 HE2 TYR 19 HE2 TYR 19 -0.740 -9.066 4.532 159 HH TYR 19 HH TYR 19 -2.803 -10.062 4.567 160 H SER 20 H SER 20 5.792 -11.193 2.713 161 HA SER 20 HA SER 20 7.035 -11.542 0.018 162 HB2 SER 20 HB1 SER 20 8.213 -10.105 2.421 163 HB3 SER 20 HB2 SER 20 8.787 -10.075 0.736 164 HG SER 20 HG SER 20 7.629 -8.177 1.316 165 H GLY 21 H GLY 21 8.058 -11.786 3.457 166 HA2 GLY 21 HA2 GLY 21 8.744 -14.230 2.721 167 H ARG 22 H ARG 22 6.470 -14.298 2.502 168 HA ARG 22 HA ARG 22 5.609 -16.478 4.209 169 HB2 ARG 22 HB1 ARG 22 3.905 -16.873 2.395 170 HB3 ARG 22 HB2 ARG 22 3.850 -15.310 3.244 171 HG2 ARG 22 HG1 ARG 22 4.726 -14.157 1.339 172 HG3 ARG 22 HG2 ARG 22 5.092 -15.685 0.504 173 HD2 ARG 22 HD1 ARG 22 2.248 -14.919 1.258 174 HD3 ARG 22 HD2 ARG 22 2.991 -14.378 -0.262 175 HE ARG 22 HE ARG 22 3.428 -17.140 0.022 176 HH11 ARG 22 HH12 ARG 22 0.509 -15.209 -0.653 177 HH12 ARG 22 HH11 ARG 22 -0.214 -16.522 -1.538 178 HH21 ARG 22 HH22 ARG 22 2.495 -18.670 -1.115 179 HH22 ARG 22 HH21 ARG 22 0.896 -18.447 -1.793 180 H GLU 23 H GLU 23 7.106 -16.253 0.974 181 HA GLU 23 HA GLU 23 8.177 -18.998 1.355 182 HB2 GLU 23 HB1 GLU 23 7.067 -17.675 -1.132 183 HB3 GLU 23 HB2 GLU 23 8.242 -19.009 -1.242 184 HG2 GLU 23 HG1 GLU 23 6.366 -20.271 -1.365 185 HG3 GLU 23 HG2 GLU 23 6.425 -20.144 0.406 186 H GLY 24 H GLY 24 9.013 -15.624 0.784 187 HA2 GLY 24 HA2 GLY 24 11.348 -16.145 0.722 188 H SER 25 H SER 25 11.602 -13.639 -1.384 189 HA SER 25 HA SER 25 13.640 -12.638 0.227 190 HB2 SER 25 HB1 SER 25 11.884 -11.057 -1.684 191 HB3 SER 25 HB2 SER 25 13.616 -10.826 -1.345 192 HG SER 25 HG SER 25 13.237 -11.886 -3.350 193 H LYS 26 H LYS 26 13.513 -11.657 2.301 194 HA LYS 26 HA LYS 26 10.924 -10.990 3.323 195 HB2 LYS 26 HB1 LYS 26 13.736 -10.610 4.369 196 HB3 LYS 26 HB2 LYS 26 12.287 -10.182 5.310 197 HG2 LYS 26 HG1 LYS 26 11.475 -12.490 5.171 198 HG3 LYS 26 HG2 LYS 26 12.853 -12.936 4.137 199 HD2 LYS 26 HD1 LYS 26 13.188 -11.894 6.974 200 HD3 LYS 26 HD2 LYS 26 13.037 -13.625 6.583 201 HE2 LYS 26 HE1 LYS 26 14.954 -13.354 4.971 202 HE3 LYS 26 HE2 LYS 26 15.154 -11.690 5.564 203 HZ1 LYS 26 HZ1 LYS 26 16.680 -13.194 6.606 204 HZ2 LYS 26 HZ2 LYS 26 15.631 -12.583 7.717 205 HZ3 LYS 26 HZ3 LYS 26 15.445 -14.126 7.168 206 H LEU 27 H LEU 27 13.075 -9.055 1.491 207 HA LEU 27 HA LEU 27 11.698 -6.536 2.192 208 HB2 LEU 27 HB1 LEU 27 14.175 -7.179 0.561 209 HB3 LEU 27 HB2 LEU 27 13.479 -5.546 0.701 210 HG LEU 27 HG LEU 27 14.759 -7.191 2.908 211 HD11 LEU 27 HD11 LEU 27 16.403 -5.335 2.797 212 HD12 LEU 27 HD12 LEU 27 16.252 -6.149 1.219 213 HD13 LEU 27 HD13 LEU 27 15.464 -4.576 1.486 214 HD21 LEU 27 HD21 LEU 27 14.415 -5.216 4.363 215 HD22 LEU 27 HD22 LEU 27 13.478 -4.429 3.071 216 HD23 LEU 27 HD23 LEU 27 12.862 -5.910 3.842 217 H THR 28 H THR 28 11.253 -9.015 -0.134 218 HA THR 28 HA THR 28 9.919 -7.144 -1.928 219 HB THR 28 HB THR 28 10.955 -8.105 -3.971 220 HG1 THR 28 HG1 THR 28 13.040 -9.027 -3.687 221 HG21 THR 28 HG21 THR 28 13.055 -6.781 -3.909 222 HG22 THR 28 HG22 THR 28 11.707 -5.893 -3.173 223 HG23 THR 28 HG23 THR 28 12.924 -6.684 -2.143 224 H LEU 29 H LEU 29 8.438 -7.934 -3.386 225 HA LEU 29 HA LEU 29 7.652 -10.747 -3.324 226 HB2 LEU 29 HB1 LEU 29 5.527 -10.514 -2.362 227 HB3 LEU 29 HB2 LEU 29 6.656 -9.693 -1.256 228 HG LEU 29 HG LEU 29 4.794 -8.321 -3.222 229 HD11 LEU 29 HD11 LEU 29 3.534 -7.642 -1.199 230 HD12 LEU 29 HD12 LEU 29 3.598 -9.412 -1.355 231 HD13 LEU 29 HD13 LEU 29 4.655 -8.583 -0.187 232 HD21 LEU 29 HD21 LEU 29 5.399 -6.233 -2.041 233 HD22 LEU 29 HD22 LEU 29 6.547 -7.141 -1.034 234 HD23 LEU 29 HD23 LEU 29 6.822 -6.990 -2.786 235 H SER 30 H SER 30 5.796 -11.224 -4.816 236 HA SER 30 HA SER 30 6.256 -9.733 -7.236 237 HB2 SER 30 HB1 SER 30 4.769 -11.289 -8.322 238 HB3 SER 30 HB2 SER 30 5.885 -12.163 -7.245 239 HG SER 30 HG SER 30 3.716 -12.911 -7.076 240 H ARG 31 H ARG 31 4.876 -8.448 -8.474 241 HA ARG 31 HA ARG 31 3.232 -6.774 -6.893 242 HB2 ARG 31 HB1 ARG 31 2.638 -5.661 -9.056 243 HB3 ARG 31 HB2 ARG 31 4.321 -5.645 -8.482 244 HG2 ARG 31 HG1 ARG 31 4.458 -7.734 -10.173 245 HG3 ARG 31 HG2 ARG 31 3.152 -6.807 -10.949 246 HD2 ARG 31 HD1 ARG 31 5.834 -5.658 -10.083 247 HD3 ARG 31 HD2 ARG 31 5.435 -6.152 -11.743 248 HE ARG 31 HE ARG 31 3.569 -4.382 -11.543 249 HH11 ARG 31 HH12 ARG 31 6.825 -4.042 -10.238 250 HH12 ARG 31 HH11 ARG 31 6.698 -2.312 -10.067 251 HH21 ARG 31 HH22 ARG 31 3.411 -2.137 -11.126 252 HH22 ARG 31 HH21 ARG 31 4.807 -1.258 -10.559 253 H LYS 32 H LYS 32 2.210 -9.623 -8.727 254 HA LYS 32 HA LYS 32 -0.561 -9.417 -8.405 255 HB2 LYS 32 HB1 LYS 32 0.782 -11.327 -9.321 256 HB3 LYS 32 HB2 LYS 32 1.236 -11.757 -7.654 257 HG2 LYS 32 HG1 LYS 32 -1.548 -11.874 -8.860 258 HG3 LYS 32 HG2 LYS 32 -0.486 -13.254 -8.489 259 HD2 LYS 32 HD1 LYS 32 -0.523 -12.365 -6.070 260 HD3 LYS 32 HD2 LYS 32 -1.921 -11.397 -6.596 261 HE2 LYS 32 HE1 LYS 32 -3.156 -13.429 -7.126 262 HE3 LYS 32 HE2 LYS 32 -1.751 -14.422 -6.682 263 HZ1 LYS 32 HZ1 LYS 32 -3.316 -14.244 -4.880 264 HZ2 LYS 32 HZ2 LYS 32 -1.893 -13.520 -4.462 265 HZ3 LYS 32 HZ3 LYS 32 -3.197 -12.599 -4.873 266 H GLU 33 H GLU 33 1.835 -10.341 -5.818 267 HA GLU 33 HA GLU 33 -0.357 -10.791 -3.982 268 HB2 GLU 33 HB1 GLU 33 1.851 -12.065 -4.224 269 HB3 GLU 33 HB2 GLU 33 2.587 -10.727 -3.312 270 HG2 GLU 33 HG1 GLU 33 2.077 -12.450 -1.758 271 HG3 GLU 33 HG2 GLU 33 0.912 -11.132 -1.502 272 H LEU 34 H LEU 34 1.955 -8.126 -4.497 273 HA LEU 34 HA LEU 34 1.448 -6.642 -2.149 274 HB2 LEU 34 HB1 LEU 34 3.221 -6.239 -3.855 275 HB3 LEU 34 HB2 LEU 34 1.970 -5.657 -4.979 276 HG LEU 34 HG LEU 34 1.412 -3.828 -3.399 277 HD11 LEU 34 HD11 LEU 34 2.886 -3.379 -1.463 278 HD12 LEU 34 HD12 LEU 34 2.058 -4.944 -1.292 279 HD13 LEU 34 HD13 LEU 34 3.768 -4.891 -1.783 280 HD21 LEU 34 HD21 LEU 34 3.491 -2.543 -3.765 281 HD22 LEU 34 HD22 LEU 34 4.370 -4.056 -4.106 282 HD23 LEU 34 HD23 LEU 34 3.075 -3.512 -5.201 283 H LYS 35 H LYS 35 -0.349 -6.592 -5.317 284 HA LYS 35 HA LYS 35 -2.204 -4.638 -4.342 285 HB2 LYS 35 HB1 LYS 35 -3.422 -4.965 -6.324 286 HB3 LYS 35 HB2 LYS 35 -1.694 -5.100 -6.729 287 HG2 LYS 35 HG1 LYS 35 -1.835 -7.365 -7.174 288 HG3 LYS 35 HG2 LYS 35 -3.301 -7.576 -6.185 289 HD2 LYS 35 HD1 LYS 35 -3.280 -5.997 -8.764 290 HD3 LYS 35 HD2 LYS 35 -3.589 -7.749 -8.704 291 HE2 LYS 35 HE1 LYS 35 -5.468 -7.314 -7.097 292 HE3 LYS 35 HE2 LYS 35 -5.197 -5.569 -7.306 293 HZ1 LYS 35 HZ1 LYS 35 -6.925 -6.379 -8.740 294 HZ2 LYS 35 HZ2 LYS 35 -5.650 -5.843 -9.640 295 HZ3 LYS 35 HZ3 LYS 35 -5.901 -7.462 -9.445 296 H GLU 36 H GLU 36 -2.119 -8.159 -4.004 297 HA GLU 36 HA GLU 36 -4.783 -8.568 -3.116 298 HB2 GLU 36 HB1 GLU 36 -2.988 -10.333 -3.668 299 HB3 GLU 36 HB2 GLU 36 -2.352 -10.034 -2.033 300 HG2 GLU 36 HG1 GLU 36 -3.818 -11.647 -1.426 301 HG3 GLU 36 HG2 GLU 36 -4.995 -10.317 -1.479 302 H LEU 37 H LEU 37 -1.758 -7.894 -1.275 303 HA LEU 37 HA LEU 37 -2.752 -7.751 1.315 304 HB2 LEU 37 HB1 LEU 37 -0.444 -7.835 0.968 305 HB3 LEU 37 HB2 LEU 37 -0.462 -6.453 -0.151 306 HG LEU 37 HG LEU 37 -0.845 -4.928 1.713 307 HD11 LEU 37 HD11 LEU 37 -0.609 -5.624 4.072 308 HD12 LEU 37 HD12 LEU 37 -2.029 -6.369 3.308 309 HD13 LEU 37 HD13 LEU 37 -0.545 -7.320 3.556 310 HD21 LEU 37 HD21 LEU 37 1.413 -5.131 2.717 311 HD22 LEU 37 HD22 LEU 37 1.511 -6.813 2.148 312 HD23 LEU 37 HD23 LEU 37 1.448 -5.478 0.973 313 H ILE 38 H ILE 38 -2.603 -5.119 -1.085 314 HA ILE 38 HA ILE 38 -3.649 -3.066 0.610 315 HB ILE 38 HB ILE 38 -3.349 -3.311 -2.394 316 HG12 ILE 38 HG13 ILE 38 -1.671 -1.652 -0.483 317 HG13 ILE 38 HG12 ILE 38 -1.318 -3.374 -0.766 318 HG21 ILE 38 HG21 ILE 38 -3.536 -0.836 -2.499 319 HG22 ILE 38 HG22 ILE 38 -5.035 -1.573 -1.893 320 HG23 ILE 38 HG23 ILE 38 -3.903 -0.796 -0.761 321 HD11 ILE 38 HD11 ILE 38 0.074 -1.928 -2.215 322 HD12 ILE 38 HD12 ILE 38 -1.041 -2.922 -3.177 323 HD13 ILE 38 HD13 ILE 38 -1.396 -1.201 -2.895 324 H LYS 39 H LYS 39 -5.313 -5.597 -1.129 325 HA LYS 39 HA LYS 39 -7.897 -4.364 -0.376 326 HB2 LYS 39 HB1 LYS 39 -6.957 -6.006 -2.625 327 HB3 LYS 39 HB2 LYS 39 -8.484 -6.587 -1.918 328 HG2 LYS 39 HG1 LYS 39 -7.922 -3.794 -2.970 329 HG3 LYS 39 HG2 LYS 39 -8.918 -5.042 -3.756 330 HD2 LYS 39 HD1 LYS 39 -9.521 -3.581 -1.160 331 HD3 LYS 39 HD2 LYS 39 -10.366 -3.403 -2.716 332 HE2 LYS 39 HE1 LYS 39 -11.266 -5.637 -2.566 333 HE3 LYS 39 HE2 LYS 39 -10.256 -6.010 -1.153 334 HZ1 LYS 39 HZ1 LYS 39 -12.499 -5.494 -0.529 335 HZ2 LYS 39 HZ2 LYS 39 -11.468 -4.355 0.070 336 HZ3 LYS 39 HZ3 LYS 39 -12.406 -4.009 -1.241 337 H LYS 40 H LYS 40 -5.757 -6.601 0.876 338 HA LYS 40 HA LYS 40 -7.741 -8.434 2.083 339 HB2 LYS 40 HB1 LYS 40 -4.743 -8.335 1.700 340 HB3 LYS 40 HB2 LYS 40 -5.427 -9.362 2.983 341 HG2 LYS 40 HG1 LYS 40 -6.411 -9.617 0.148 342 HG3 LYS 40 HG2 LYS 40 -4.897 -10.403 0.657 343 HD2 LYS 40 HD1 LYS 40 -6.209 -11.356 2.620 344 HD3 LYS 40 HD2 LYS 40 -7.681 -10.786 1.797 345 HE2 LYS 40 HE1 LYS 40 -5.680 -12.690 0.550 346 HE3 LYS 40 HE2 LYS 40 -7.114 -13.219 1.454 347 HZ1 LYS 40 HZ1 LYS 40 -7.504 -13.210 -0.900 348 HZ2 LYS 40 HZ2 LYS 40 -8.468 -12.099 -0.158 349 HZ3 LYS 40 HZ3 LYS 40 -7.137 -11.607 -0.999 350 H GLU 41 H GLU 41 -5.184 -6.132 2.987 351 HA GLU 41 HA GLU 41 -6.177 -6.062 5.789 352 HB2 GLU 41 HB1 GLU 41 -3.283 -5.827 4.877 353 HB3 GLU 41 HB2 GLU 41 -3.873 -5.769 6.555 354 HG2 GLU 41 HG1 GLU 41 -4.942 -8.082 6.026 355 HG3 GLU 41 HG2 GLU 41 -3.842 -8.107 4.630 356 H LEU 42 H LEU 42 -5.329 -4.186 2.951 357 HA LEU 42 HA LEU 42 -6.671 -1.955 4.391 358 HB2 LEU 42 HB1 LEU 42 -4.409 -1.911 2.688 359 HB3 LEU 42 HB2 LEU 42 -5.755 -1.188 1.775 360 HG LEU 42 HG LEU 42 -4.927 -0.319 4.567 361 HD11 LEU 42 HD11 LEU 42 -3.861 1.611 3.432 362 HD12 LEU 42 HD12 LEU 42 -3.121 0.074 2.920 363 HD13 LEU 42 HD13 LEU 42 -4.275 0.907 1.850 364 HD21 LEU 42 HD21 LEU 42 -6.265 1.709 4.068 365 HD22 LEU 42 HD22 LEU 42 -6.705 1.025 2.488 366 HD23 LEU 42 HD23 LEU 42 -7.264 0.242 3.985 367 H CYS 43 H CYS 43 -8.087 -0.728 2.742 368 HA CYS 43 HA CYS 43 -9.745 -2.151 0.868 369 HB2 CYS 43 HB1 CYS 43 -10.234 -3.057 3.333 370 HB3 CYS 43 HB2 CYS 43 -11.142 -1.530 3.462 371 HG CYS 43 HG CYS 43 -12.779 -3.499 2.946 372 H LEU 44 H LEU 44 -11.067 -0.542 -0.174 373 HA LEU 44 HA LEU 44 -11.562 2.054 0.520 374 HB2 LEU 44 HB1 LEU 44 -9.621 3.242 -0.742 375 HB3 LEU 44 HB2 LEU 44 -9.506 2.836 0.988 376 HG LEU 44 HG LEU 44 -8.052 0.978 0.495 377 HD11 LEU 44 HD11 LEU 44 -7.125 0.546 -1.753 378 HD12 LEU 44 HD12 LEU 44 -8.881 0.285 -1.708 379 HD13 LEU 44 HD13 LEU 44 -8.219 1.770 -2.431 380 HD21 LEU 44 HD21 LEU 44 -6.086 2.269 -0.269 381 HD22 LEU 44 HD22 LEU 44 -7.166 3.534 -0.897 382 HD23 LEU 44 HD23 LEU 44 -7.089 3.215 0.852 383 H GLY 45 H GLY 45 -10.988 -0.255 -2.005 384 HA2 GLY 45 HA2 GLY 45 -12.086 1.649 -3.501 385 H GLU 46 H GLU 46 -13.492 0.124 -1.683 386 HA GLU 46 HA GLU 46 -16.115 0.796 -2.879 387 HB2 GLU 46 HB1 GLU 46 -17.004 -0.728 -1.102 388 HB3 GLU 46 HB2 GLU 46 -15.993 -1.524 -2.332 389 HG2 GLU 46 HG1 GLU 46 -14.871 -0.661 0.341 390 HG3 GLU 46 HG2 GLU 46 -15.687 -2.224 0.127 391 H MET 47 H MET 47 -13.958 2.539 -1.412 392 HA MET 47 HA MET 47 -15.785 3.664 0.663 393 HB2 MET 47 HB1 MET 47 -13.664 2.593 1.492 394 HB3 MET 47 HB2 MET 47 -12.751 3.813 0.572 395 HG2 MET 47 HG1 MET 47 -13.621 5.590 1.886 396 HG3 MET 47 HG2 MET 47 -14.832 4.536 2.638 397 HE1 MET 47 HE1 MET 47 -10.445 3.470 3.609 398 HE2 MET 47 HE2 MET 47 -11.474 2.760 2.344 399 HE3 MET 47 HE3 MET 47 -10.850 4.417 2.160 400 H LYS 48 H LYS 48 -13.771 4.385 -2.149 401 HA LYS 48 HA LYS 48 -14.638 7.196 -2.053 402 HB2 LYS 48 HB1 LYS 48 -12.323 7.880 -2.643 403 HB3 LYS 48 HB2 LYS 48 -12.603 7.300 -0.983 404 HG2 LYS 48 HG1 LYS 48 -10.431 6.640 -1.854 405 HG3 LYS 48 HG2 LYS 48 -11.460 5.242 -1.468 406 HD2 LYS 48 HD1 LYS 48 -10.159 4.957 -3.533 407 HD3 LYS 48 HD2 LYS 48 -11.919 4.859 -3.784 408 HE2 LYS 48 HE1 LYS 48 -10.767 6.035 -5.592 409 HE3 LYS 48 HE2 LYS 48 -11.961 7.051 -4.755 410 HZ1 LYS 48 HZ1 LYS 48 -9.996 8.275 -5.324 411 HZ2 LYS 48 HZ2 LYS 48 -10.163 8.177 -3.694 412 HZ3 LYS 48 HZ3 LYS 48 -9.055 7.235 -4.469 413 H GLU 49 H GLU 49 -13.803 8.361 -4.249 414 HA GLU 49 HA GLU 49 -15.565 7.332 -6.148 415 HB2 GLU 49 HB1 GLU 49 -14.173 9.030 -7.709 416 HB3 GLU 49 HB2 GLU 49 -15.512 9.463 -6.619 417 HG2 GLU 49 HG1 GLU 49 -13.437 10.960 -6.682 418 HG3 GLU 49 HG2 GLU 49 -14.113 10.509 -5.101 419 H SER 50 H SER 50 -11.938 7.441 -6.871 420 HA SER 50 HA SER 50 -12.194 5.156 -8.630 421 HB2 SER 50 HB1 SER 50 -12.399 7.960 -9.776 422 HB3 SER 50 HB2 SER 50 -11.823 6.585 -10.752 423 HG SER 50 HG SER 50 -14.085 6.930 -10.948 424 H SER 51 H SER 51 -10.220 5.406 -10.439 425 HA SER 51 HA SER 51 -8.136 5.981 -11.102 426 HB2 SER 51 HB1 SER 51 -7.828 7.720 -8.631 427 HB3 SER 51 HB2 SER 51 -6.866 7.780 -10.126 428 HG SER 51 HG SER 51 -8.498 9.404 -10.053 429 H ILE 52 H ILE 52 -8.234 5.278 -7.545 430 HA ILE 52 HA ILE 52 -5.848 3.835 -7.341 431 HB ILE 52 HB ILE 52 -7.038 4.265 -5.409 432 HG12 ILE 52 HG13 ILE 52 -5.945 1.924 -5.654 433 HG13 ILE 52 HG12 ILE 52 -6.855 2.381 -4.193 434 HG21 ILE 52 HG21 ILE 52 -9.291 3.478 -4.810 435 HG22 ILE 52 HG22 ILE 52 -9.298 4.481 -6.272 436 HG23 ILE 52 HG23 ILE 52 -9.434 2.712 -6.403 437 HD11 ILE 52 HD11 ILE 52 -7.330 0.035 -4.841 438 HD12 ILE 52 HD12 ILE 52 -8.774 1.053 -4.972 439 HD13 ILE 52 HD13 ILE 52 -7.866 0.598 -6.434 440 H ASP 53 H ASP 53 -8.773 2.916 -9.015 441 HA ASP 53 HA ASP 53 -8.298 0.137 -9.250 442 HB2 ASP 53 HB1 ASP 53 -10.466 1.254 -9.564 443 HB3 ASP 53 HB2 ASP 53 -9.850 2.050 -11.027 444 H ASP 54 H ASP 54 -7.199 2.851 -11.467 445 HA ASP 54 HA ASP 54 -5.867 0.877 -13.142 446 HB2 ASP 54 HB1 ASP 54 -6.614 3.097 -14.034 447 HB3 ASP 54 HB2 ASP 54 -5.292 3.848 -13.113 448 H LEU 55 H LEU 55 -4.901 2.805 -10.296 449 HA LEU 55 HA LEU 55 -2.133 2.140 -10.418 450 HB2 LEU 55 HB1 LEU 55 -3.876 2.542 -7.974 451 HB3 LEU 55 HB2 LEU 55 -2.095 2.513 -7.995 452 HG LEU 55 HG LEU 55 -3.838 4.497 -9.492 453 HD11 LEU 55 HD11 LEU 55 -3.088 6.161 -7.818 454 HD12 LEU 55 HD12 LEU 55 -3.982 4.828 -7.055 455 HD13 LEU 55 HD13 LEU 55 -2.207 4.884 -6.952 456 HD21 LEU 55 HD21 LEU 55 -1.745 5.769 -9.870 457 HD22 LEU 55 HD22 LEU 55 -0.827 4.490 -9.048 458 HD23 LEU 55 HD23 LEU 55 -1.656 4.145 -10.585 459 H MET 56 H MET 56 -4.908 0.281 -8.976 460 HA MET 56 HA MET 56 -3.371 -2.034 -8.419 461 HB2 MET 56 HB1 MET 56 -6.308 -1.805 -9.118 462 HB3 MET 56 HB2 MET 56 -5.516 -3.289 -8.532 463 HG2 MET 56 HG1 MET 56 -4.713 -1.705 -6.573 464 HG3 MET 56 HG2 MET 56 -6.100 -0.723 -7.076 465 HE1 MET 56 HE1 MET 56 -6.100 -4.360 -4.411 466 HE2 MET 56 HE2 MET 56 -4.874 -4.193 -5.688 467 HE3 MET 56 HE3 MET 56 -5.058 -2.920 -4.457 468 H LYS 57 H LYS 57 -5.122 -1.160 -11.521 469 HA LYS 57 HA LYS 57 -4.303 -3.543 -12.826 470 HB2 LYS 57 HB1 LYS 57 -5.164 -0.871 -13.817 471 HB3 LYS 57 HB2 LYS 57 -4.298 -1.942 -14.944 472 HG2 LYS 57 HG1 LYS 57 -6.557 -2.422 -15.331 473 HG3 LYS 57 HG2 LYS 57 -6.021 -3.737 -14.257 474 HD2 LYS 57 HD1 LYS 57 -6.997 -2.566 -12.325 475 HD3 LYS 57 HD2 LYS 57 -7.514 -1.233 -13.385 476 HE2 LYS 57 HE1 LYS 57 -8.780 -2.997 -14.748 477 HE3 LYS 57 HE2 LYS 57 -8.464 -4.120 -13.408 478 HZ1 LYS 57 HZ1 LYS 57 -10.590 -3.059 -13.194 479 HZ2 LYS 57 HZ2 LYS 57 -9.604 -2.606 -11.953 480 HZ3 LYS 57 HZ3 LYS 57 -9.897 -1.563 -13.197 481 H SER 58 H SER 58 -2.474 -0.550 -12.206 482 HA SER 58 HA SER 58 -0.182 -1.315 -13.747 483 HB2 SER 58 HB1 SER 58 -0.601 0.755 -11.589 484 HB3 SER 58 HB2 SER 58 0.965 0.500 -12.399 485 HG SER 58 HG SER 58 -0.348 2.063 -13.473 486 H LEU 59 H LEU 59 -1.316 -2.819 -10.984 487 HA LEU 59 HA LEU 59 1.382 -3.968 -10.472 488 HB2 LEU 59 HB1 LEU 59 -1.201 -4.083 -8.886 489 HB3 LEU 59 HB2 LEU 59 0.291 -4.954 -8.460 490 HG LEU 59 HG LEU 59 -0.018 -1.933 -8.618 491 HD11 LEU 59 HD11 LEU 59 0.193 -2.001 -6.142 492 HD12 LEU 59 HD12 LEU 59 -1.223 -2.926 -6.692 493 HD13 LEU 59 HD13 LEU 59 0.262 -3.778 -6.201 494 HD21 LEU 59 HD21 LEU 59 2.216 -1.835 -7.546 495 HD22 LEU 59 HD22 LEU 59 2.321 -3.607 -7.616 496 HD23 LEU 59 HD23 LEU 59 2.290 -2.655 -9.120 497 H ASP 60 H ASP 60 -2.001 -4.792 -11.318 498 HA ASP 60 HA ASP 60 -1.748 -7.528 -11.886 499 HB2 ASP 60 HB1 ASP 60 -3.418 -5.321 -13.145 500 HB3 ASP 60 HB2 ASP 60 -3.610 -7.037 -13.568 501 H LYS 61 H LYS 61 -0.919 -4.713 -13.982 502 HA LYS 61 HA LYS 61 -1.150 -6.220 -16.373 503 HB2 LYS 61 HB1 LYS 61 -0.552 -4.331 -17.598 504 HB3 LYS 61 HB2 LYS 61 -1.756 -3.973 -16.336 505 HG2 LYS 61 HG1 LYS 61 0.041 -2.834 -15.028 506 HG3 LYS 61 HG2 LYS 61 1.138 -3.082 -16.409 507 HD2 LYS 61 HD1 LYS 61 0.101 -0.918 -16.694 508 HD3 LYS 61 HD2 LYS 61 -0.598 -2.030 -17.897 509 HE2 LYS 61 HE1 LYS 61 -2.623 -1.390 -17.275 510 HE3 LYS 61 HE2 LYS 61 -2.333 -2.088 -15.667 511 HZ1 LYS 61 HZ1 LYS 61 -3.064 0.194 -15.525 512 HZ2 LYS 61 HZ2 LYS 61 -1.530 0.052 -14.953 513 HZ3 LYS 61 HZ3 LYS 61 -1.799 0.700 -16.447 514 H ASN 62 H ASN 62 1.441 -6.202 -14.235 515 HA ASN 62 HA ASN 62 2.975 -7.796 -16.239 516 HB2 ASN 62 HB1 ASN 62 4.040 -6.332 -13.795 517 HB3 ASN 62 HB2 ASN 62 4.994 -7.292 -14.945 518 HD21 ASN 62 HD21 ASN 62 6.067 -4.947 -14.591 519 HD22 ASN 62 HD22 ASN 62 5.674 -3.786 -15.850 520 H SER 63 H SER 63 2.422 -7.436 -12.730 521 HA SER 63 HA SER 63 1.700 -8.691 -11.089 522 HB2 SER 63 HB1 SER 63 0.430 -10.655 -11.325 523 HB3 SER 63 HB2 SER 63 0.074 -9.630 -12.737 524 HG SER 63 HG SER 63 0.387 -11.835 -13.295 525 H ASP 64 H ASP 64 4.355 -10.070 -12.930 526 HA ASP 64 HA ASP 64 4.626 -12.415 -11.164 527 HB2 ASP 64 HB1 ASP 64 6.318 -13.065 -12.857 528 HB3 ASP 64 HB2 ASP 64 4.790 -12.602 -13.638 529 H GLN 65 H GLN 65 6.149 -9.415 -11.942 530 HA GLN 65 HA GLN 65 8.783 -9.943 -11.025 531 HB2 GLN 65 HB1 GLN 65 7.992 -7.131 -11.137 532 HB3 GLN 65 HB2 GLN 65 9.244 -8.008 -12.050 533 HG2 GLN 65 HG1 GLN 65 7.617 -8.672 -13.717 534 HG3 GLN 65 HG2 GLN 65 6.305 -7.925 -12.780 535 HE21 GLN 65 HE12 GLN 65 8.465 -7.438 -15.322 536 HE22 GLN 65 HE22 GLN 65 8.351 -5.696 -15.412 537 H GLU 66 H GLU 66 9.899 -9.132 -9.307 538 HA GLU 66 HA GLU 66 8.393 -8.763 -6.882 539 HB2 GLU 66 HB1 GLU 66 11.293 -9.022 -7.594 540 HB3 GLU 66 HB2 GLU 66 10.855 -8.342 -6.008 541 HG2 GLU 66 HG1 GLU 66 9.625 -10.373 -5.438 542 HG3 GLU 66 HG2 GLU 66 9.931 -11.047 -7.054 543 H ILE 67 H ILE 67 8.234 -7.067 -5.545 544 HA ILE 67 HA ILE 67 9.219 -4.387 -6.404 545 HB ILE 67 HB ILE 67 6.609 -5.324 -5.180 546 HG12 ILE 67 HG13 ILE 67 7.360 -3.403 -7.416 547 HG13 ILE 67 HG12 ILE 67 6.768 -5.069 -7.609 548 HG21 ILE 67 HG21 ILE 67 6.053 -2.999 -4.561 549 HG22 ILE 67 HG22 ILE 67 7.446 -3.600 -3.634 550 HG23 ILE 67 HG23 ILE 67 7.699 -2.487 -4.999 551 HD11 ILE 67 HD11 ILE 67 4.971 -3.426 -8.063 552 HD12 ILE 67 HD12 ILE 67 4.601 -4.412 -6.633 553 HD13 ILE 67 HD13 ILE 67 5.194 -2.744 -6.439 554 H ASP 68 H ASP 68 10.476 -3.311 -4.956 555 HA ASP 68 HA ASP 68 10.729 -4.188 -2.160 556 HB2 ASP 68 HB1 ASP 68 12.802 -3.610 -2.983 557 HB3 ASP 68 HB2 ASP 68 12.156 -2.323 -4.024 558 H PHE 69 H PHE 69 10.355 -2.872 -0.410 559 HA PHE 69 HA PHE 69 8.108 -1.667 0.235 560 HB2 PHE 69 HB1 PHE 69 10.972 -1.251 1.001 561 HB3 PHE 69 HB2 PHE 69 9.789 -0.113 1.669 562 HD1 PHE 69 HD2 PHE 69 7.855 -0.979 3.004 563 HD2 PHE 69 HD1 PHE 69 11.201 -3.464 1.908 564 HE1 PHE 69 HE2 PHE 69 7.299 -2.536 4.854 565 HE2 PHE 69 HE1 PHE 69 10.667 -5.002 3.789 566 HZ PHE 69 HZ PHE 69 8.735 -4.522 5.274 567 H LYS 70 H LYS 70 10.390 0.132 -1.859 568 HA LYS 70 HA LYS 70 9.394 2.742 -1.263 569 HB2 LYS 70 HB1 LYS 70 11.083 1.441 -3.324 570 HB3 LYS 70 HB2 LYS 70 10.271 2.944 -3.820 571 HG2 LYS 70 HG1 LYS 70 12.181 3.871 -3.048 572 HG3 LYS 70 HG2 LYS 70 11.313 3.785 -1.497 573 HD2 LYS 70 HD1 LYS 70 13.181 1.589 -2.402 574 HD3 LYS 70 HD2 LYS 70 13.772 3.041 -1.559 575 HE2 LYS 70 HE1 LYS 70 12.622 2.493 0.434 576 HE3 LYS 70 HE2 LYS 70 11.565 1.326 -0.392 577 HZ1 LYS 70 HZ1 LYS 70 13.276 0.235 0.874 578 HZ2 LYS 70 HZ2 LYS 70 13.482 -0.070 -0.733 579 HZ3 LYS 70 HZ3 LYS 70 14.463 1.012 0.032 580 H GLU 71 H GLU 71 8.630 0.476 -4.042 581 HA GLU 71 HA GLU 71 6.622 2.175 -5.114 582 HB2 GLU 71 HB1 GLU 71 6.609 -0.844 -5.283 583 HB3 GLU 71 HB2 GLU 71 5.672 0.286 -6.287 584 HG2 GLU 71 HG1 GLU 71 8.254 1.114 -6.756 585 HG3 GLU 71 HG2 GLU 71 8.453 -0.642 -6.563 586 H TYR 72 H TYR 72 6.549 -0.297 -2.557 587 HA TYR 72 HA TYR 72 3.731 -0.353 -2.127 588 HB2 TYR 72 HB1 TYR 72 5.187 -2.053 -1.247 589 HB3 TYR 72 HB2 TYR 72 6.097 -0.860 -0.306 590 HD1 TYR 72 HD2 TYR 72 2.417 -1.702 -0.620 591 HD2 TYR 72 HD1 TYR 72 5.769 -1.017 1.985 592 HE1 TYR 72 HE2 TYR 72 1.109 -2.598 1.291 593 HE2 TYR 72 HE1 TYR 72 4.438 -1.822 3.921 594 HH TYR 72 HH TYR 72 1.107 -3.167 3.495 595 H SER 73 H SER 73 6.288 1.630 -0.571 596 HA SER 73 HA SER 73 4.554 3.087 1.144 597 HB2 SER 73 HB1 SER 73 6.889 2.988 1.609 598 HB3 SER 73 HB2 SER 73 7.307 3.624 -0.000 599 HG SER 73 HG SER 73 7.404 5.222 1.640 600 H VAL 74 H VAL 74 5.842 4.008 -2.179 601 HA VAL 74 HA VAL 74 4.360 6.441 -2.130 602 HB VAL 74 HB VAL 74 4.530 6.593 -4.531 603 HG11 VAL 74 HG11 VAL 74 6.978 6.825 -4.674 604 HG12 VAL 74 HG12 VAL 74 6.344 7.407 -3.121 605 HG13 VAL 74 HG13 VAL 74 7.149 5.822 -3.219 606 HG21 VAL 74 HG21 VAL 74 5.820 5.027 -5.913 607 HG22 VAL 74 HG22 VAL 74 5.952 3.932 -4.526 608 HG23 VAL 74 HG23 VAL 74 4.360 4.280 -5.240 609 H PHE 75 H PHE 75 3.372 3.118 -3.065 610 HA PHE 75 HA PHE 75 0.922 3.991 -4.329 611 HB2 PHE 75 HB1 PHE 75 2.297 1.853 -4.658 612 HB3 PHE 75 HB2 PHE 75 1.536 1.271 -3.168 613 HD1 PHE 75 HD2 PHE 75 -1.131 1.302 -3.162 614 HD2 PHE 75 HD1 PHE 75 1.324 1.458 -6.692 615 HE1 PHE 75 HE2 PHE 75 -2.965 0.270 -4.487 616 HE2 PHE 75 HE1 PHE 75 -0.479 0.370 -7.995 617 HZ PHE 75 HZ PHE 75 -2.619 -0.245 -6.896 618 H LEU 76 H LEU 76 1.627 2.578 -1.048 619 HA LEU 76 HA LEU 76 -0.994 2.830 -0.016 620 HB2 LEU 76 HB1 LEU 76 1.727 3.009 1.302 621 HB3 LEU 76 HB2 LEU 76 0.202 3.071 2.216 622 HG LEU 76 HG LEU 76 1.337 0.732 0.656 623 HD11 LEU 76 HD11 LEU 76 1.293 -0.292 2.916 624 HD12 LEU 76 HD12 LEU 76 2.264 1.202 2.910 625 HD13 LEU 76 HD13 LEU 76 0.619 1.215 3.589 626 HD21 LEU 76 HD21 LEU 76 -0.673 -0.523 1.347 627 HD22 LEU 76 HD22 LEU 76 -1.369 0.968 2.027 628 HD23 LEU 76 HD23 LEU 76 -1.095 0.832 0.273 629 H THR 77 H THR 77 1.745 5.196 -0.000 630 HA THR 77 HA THR 77 0.306 7.171 1.506 631 HB THR 77 HB THR 77 2.650 7.602 -0.378 632 HG1 THR 77 HG1 THR 77 3.827 7.362 1.576 633 HG21 THR 77 HG21 THR 77 3.040 9.559 1.087 634 HG22 THR 77 HG22 THR 77 1.439 9.650 0.312 635 HG23 THR 77 HG23 THR 77 1.577 9.156 2.017 636 H MET 78 H MET 78 0.963 6.769 -1.999 637 HA MET 78 HA MET 78 -0.502 8.922 -3.000 638 HB2 MET 78 HB1 MET 78 0.899 7.538 -4.407 639 HB3 MET 78 HB2 MET 78 -0.184 6.147 -4.163 640 HG2 MET 78 HG1 MET 78 -1.903 7.121 -5.439 641 HG3 MET 78 HG2 MET 78 -1.152 8.725 -5.386 642 HE1 MET 78 HE1 MET 78 1.232 5.447 -7.664 643 HE2 MET 78 HE2 MET 78 1.420 5.903 -5.959 644 HE3 MET 78 HE3 MET 78 -0.022 5.004 -6.489 645 H LEU 79 H LEU 79 -1.778 5.596 -2.195 646 HA LEU 79 HA LEU 79 -4.468 6.287 -2.787 647 HB2 LEU 79 HB1 LEU 79 -3.036 4.085 -1.444 648 HB3 LEU 79 HB2 LEU 79 -4.724 4.320 -0.930 649 HG LEU 79 HG LEU 79 -5.555 3.990 -3.106 650 HD11 LEU 79 HD11 LEU 79 -4.228 3.714 -5.166 651 HD12 LEU 79 HD12 LEU 79 -3.995 5.318 -4.442 652 HD13 LEU 79 HD13 LEU 79 -2.747 4.064 -4.248 653 HD21 LEU 79 HD21 LEU 79 -4.698 1.745 -3.667 654 HD22 LEU 79 HD22 LEU 79 -3.248 2.056 -2.684 655 HD23 LEU 79 HD23 LEU 79 -4.847 1.967 -1.907 656 H CYS 80 H CYS 80 -2.682 6.534 0.356 657 HA CYS 80 HA CYS 80 -4.884 7.459 1.867 658 HB2 CYS 80 HB1 CYS 80 -2.613 6.695 2.656 659 HB3 CYS 80 HB2 CYS 80 -1.977 8.284 2.159 660 HG CYS 80 HG CYS 80 -2.307 8.230 4.755 661 H MET 81 H MET 81 -2.563 9.397 -0.136 662 HA MET 81 HA MET 81 -4.028 11.819 0.393 663 HB2 MET 81 HB1 MET 81 -2.491 12.973 -0.974 664 HB3 MET 81 HB2 MET 81 -1.633 11.846 0.104 665 HG2 MET 81 HG1 MET 81 -0.494 11.746 -1.914 666 HG3 MET 81 HG2 MET 81 -1.481 10.276 -1.858 667 HE1 MET 81 HE1 MET 81 -2.462 13.961 -4.469 668 HE2 MET 81 HE2 MET 81 -2.716 13.895 -2.710 669 HE3 MET 81 HE3 MET 81 -1.064 13.860 -3.372 670 H ALA 82 H ALA 82 -4.407 9.364 -2.007 671 HA ALA 82 HA ALA 82 -5.631 10.779 -4.112 672 HB1 ALA 82 HB1 ALA 82 -6.356 8.545 -4.890 673 HB2 ALA 82 HB2 ALA 82 -4.668 8.529 -4.333 674 HB3 ALA 82 HB3 ALA 82 -5.956 7.866 -3.298 675 H TYR 83 H TYR 83 -6.909 10.696 -1.127 676 HA TYR 83 HA TYR 83 -9.450 11.680 -2.019 677 HB2 TYR 83 HB1 TYR 83 -10.842 10.140 -0.694 678 HB3 TYR 83 HB2 TYR 83 -10.056 9.381 -2.088 679 HD1 TYR 83 HD2 TYR 83 -8.180 7.762 -1.744 680 HD2 TYR 83 HD1 TYR 83 -10.310 9.476 1.579 681 HE1 TYR 83 HE2 TYR 83 -7.678 5.746 -0.388 682 HE2 TYR 83 HE1 TYR 83 -9.564 7.590 3.022 683 HH TYR 83 HH TYR 83 -7.792 4.758 1.650 684 H ASN 84 H ASN 84 -6.925 12.329 -0.295 685 HA ASN 84 HA ASN 84 -8.072 12.732 2.358 686 HB2 ASN 84 HB1 ASN 84 -5.533 12.251 1.441 687 HB3 ASN 84 HB2 ASN 84 -5.473 13.985 1.824 688 HD21 ASN 84 HD21 ASN 84 -6.360 10.802 3.192 689 HD22 ASN 84 HD22 ASN 84 -5.967 11.216 4.851 690 H ASP 85 H ASP 85 -8.463 14.490 -0.415 691 HA ASP 85 HA ASP 85 -8.304 17.136 0.632 692 HB2 ASP 85 HB1 ASP 85 -8.569 16.246 -1.803 693 HB3 ASP 85 HB2 ASP 85 -10.310 16.293 -1.446 694 H PHE 86 H PHE 86 -10.668 14.585 1.155 695 HA PHE 86 HA PHE 86 -12.744 15.987 2.395 696 HB2 PHE 86 HB1 PHE 86 -11.448 13.296 2.758 697 HB3 PHE 86 HB2 PHE 86 -12.686 13.820 3.913 698 HD1 PHE 86 HD2 PHE 86 -12.073 13.048 0.295 699 HD2 PHE 86 HD1 PHE 86 -14.998 13.775 3.371 700 HE1 PHE 86 HE2 PHE 86 -13.853 12.146 -1.186 701 HE2 PHE 86 HE1 PHE 86 -16.786 12.929 1.868 702 HZ PHE 86 HZ PHE 86 -16.214 12.085 -0.399 703 H PHE 87 H PHE 87 -9.425 15.689 3.539 704 HA PHE 87 HA PHE 87 -10.125 16.703 6.229 705 HB2 PHE 87 HB1 PHE 87 -7.473 15.840 5.017 706 HB3 PHE 87 HB2 PHE 87 -7.710 16.360 6.694 707 HD1 PHE 87 HD1 PHE 87 -8.651 13.739 4.214 708 HD2 PHE 87 HD2 PHE 87 -8.381 14.799 8.374 709 HE1 PHE 87 HE1 PHE 87 -9.064 11.376 4.832 710 HE2 PHE 87 HE2 PHE 87 -8.792 12.427 8.998 711 HZ PHE 87 HZ PHE 87 -9.144 10.713 7.228 712 H LEU 88 H LEU 88 -9.482 18.021 3.200 713 HA LEU 88 HA LEU 88 -7.965 20.358 4.047 714 HB2 LEU 88 HB1 LEU 88 -8.119 18.964 1.740 715 HB3 LEU 88 HB2 LEU 88 -9.303 20.246 1.393 716 HG LEU 88 HG LEU 88 -6.449 20.671 2.294 717 HD11 LEU 88 HD11 LEU 88 -5.979 21.436 -0.006 718 HD12 LEU 88 HD12 LEU 88 -6.537 19.749 0.028 719 HD13 LEU 88 HD13 LEU 88 -7.650 21.048 -0.466 720 HD21 LEU 88 HD21 LEU 88 -6.735 23.053 1.703 721 HD22 LEU 88 HD22 LEU 88 -8.432 22.737 1.296 722 HD23 LEU 88 HD23 LEU 88 -7.867 22.549 2.973 723 H GLU 89 H GLU 89 -10.109 21.600 2.003 724 HA GLU 89 HA GLU 89 -12.382 22.268 3.668 725 HB2 GLU 89 HB1 GLU 89 -9.961 23.897 3.762 726 HB3 GLU 89 HB2 GLU 89 -11.360 24.831 3.181 727 HG2 GLU 89 HG1 GLU 89 -12.476 24.678 5.191 728 HG3 GLU 89 HG2 GLU 89 -11.759 23.104 5.597 729 H ASP 90 H ASP 90 -11.232 21.398 0.942 730 HA ASP 90 HA ASP 90 -11.839 21.174 -1.140 731 HB2 ASP 90 HB1 ASP 90 -14.120 20.970 -0.176 732 HB3 ASP 90 HB2 ASP 90 -14.394 22.684 -0.554 733 H ASN 91 H ASN 91 -11.537 24.467 -0.070 734 HA ASN 91 HA ASN 91 -12.207 25.864 -2.424 735 HB2 ASN 91 HB1 ASN 91 -11.801 26.728 -0.074 736 HB3 ASN 91 HB2 ASN 91 -10.059 26.599 -0.400 737 HD21 ASN 91 HD21 ASN 91 -9.093 28.085 -1.920 738 HD22 ASN 91 HD22 ASN 91 -9.941 29.532 -2.447 739 H LYS 92 H LYS 92 -9.137 24.250 -1.618 740 HA LYS 92 HA LYS 92 -7.008 24.488 -2.301 741 HB2 LYS 92 HB1 LYS 92 -8.298 24.448 -5.034 742 HB3 LYS 92 HB2 LYS 92 -6.554 24.267 -4.731 743 HG2 LYS 92 HG1 LYS 92 -7.071 22.057 -4.768 744 HG3 LYS 92 HG2 LYS 92 -7.495 22.359 -3.065 745 HD2 LYS 92 HD1 LYS 92 -9.875 22.941 -4.198 746 HD3 LYS 92 HD2 LYS 92 -9.263 21.787 -5.409 747 HE2 LYS 92 HE1 LYS 92 -8.857 20.120 -3.668 748 HE3 LYS 92 HE2 LYS 92 -9.335 21.279 -2.407 749 HZ1 LYS 92 HZ1 LYS 92 -11.078 19.727 -2.896 750 HZ2 LYS 92 HZ2 LYS 92 -11.540 21.253 -3.309 751 HZ3 LYS 92 HZ3 LYS 92 -11.098 20.179 -4.479 752 HA MET 1 HA MET 1 -11.722 2.525 7.407 753 HB2 MET 1 HB1 MET 1 -10.180 4.317 7.405 754 HB3 MET 1 HB2 MET 1 -11.740 4.890 6.766 755 HG2 MET 1 HG1 MET 1 -10.637 5.435 9.533 756 HG3 MET 1 HG2 MET 1 -10.623 6.563 8.167 757 HE1 MET 1 HE1 MET 1 -13.441 6.947 11.411 758 HE2 MET 1 HE2 MET 1 -12.294 5.589 11.363 759 HE3 MET 1 HE3 MET 1 -11.712 7.252 11.119 760 H GLU 2 H GLU 2 -10.390 1.225 8.487 761 HA GLU 2 HA GLU 2 -10.280 1.165 11.378 762 HB2 GLU 2 HB1 GLU 2 -11.797 -0.800 11.620 763 HB3 GLU 2 HB2 GLU 2 -12.639 0.695 11.145 764 HG2 GLU 2 HG1 GLU 2 -11.881 -1.504 9.184 765 HG3 GLU 2 HG2 GLU 2 -13.457 -1.405 9.998 766 H THR 3 H THR 3 -9.083 0.161 8.397 767 HA THR 3 HA THR 3 -8.714 -2.646 8.918 768 HB THR 3 HB THR 3 -7.989 -2.884 6.821 769 HG1 THR 3 HG1 THR 3 -6.712 -1.353 5.705 770 HG21 THR 3 HG21 THR 3 -9.006 -1.310 5.215 771 HG22 THR 3 HG22 THR 3 -10.097 -1.674 6.564 772 HG23 THR 3 HG23 THR 3 -9.213 -0.130 6.521 773 HA PRO 4 HA PRO 4 -5.113 -2.653 11.312 774 HB2 PRO 4 HB1 PRO 4 -3.629 -4.818 10.423 775 HB3 PRO 4 HB2 PRO 4 -5.109 -4.922 11.430 776 HG2 PRO 4 HG1 PRO 4 -4.878 -5.200 8.433 777 HG3 PRO 4 HG2 PRO 4 -5.783 -6.250 9.572 778 HD2 PRO 4 HD1 PRO 4 -7.033 -4.308 8.140 779 HD3 PRO 4 HD2 PRO 4 -7.478 -4.604 9.848 780 H LEU 5 H LEU 5 -4.350 -2.910 7.773 781 HA LEU 5 HA LEU 5 -1.780 -1.665 8.098 782 HB2 LEU 5 HB1 LEU 5 -2.336 -3.102 6.209 783 HB3 LEU 5 HB2 LEU 5 -3.552 -1.924 5.659 784 HG LEU 5 HG LEU 5 -1.876 -0.332 5.065 785 HD11 LEU 5 HD11 LEU 5 0.559 -0.689 5.361 786 HD12 LEU 5 HD12 LEU 5 -0.278 -0.614 6.927 787 HD13 LEU 5 HD13 LEU 5 0.226 -2.186 6.258 788 HD21 LEU 5 HD21 LEU 5 -0.612 -1.642 3.377 789 HD22 LEU 5 HD22 LEU 5 -0.986 -3.141 4.263 790 HD23 LEU 5 HD23 LEU 5 -2.295 -2.209 3.499 791 H GLU 6 H GLU 6 -5.070 -0.232 7.314 792 HA GLU 6 HA GLU 6 -3.903 2.346 6.972 793 HB2 GLU 6 HB1 GLU 6 -5.936 3.279 6.773 794 HB3 GLU 6 HB2 GLU 6 -6.205 1.603 6.236 795 HG2 GLU 6 HG1 GLU 6 -8.100 1.960 7.401 796 HG3 GLU 6 HG2 GLU 6 -7.070 1.287 8.685 797 H LYS 7 H LYS 7 -4.814 0.603 9.953 798 HA LYS 7 HA LYS 7 -4.462 2.882 11.607 799 HB2 LYS 7 HB1 LYS 7 -3.986 0.054 12.462 800 HB3 LYS 7 HB2 LYS 7 -4.292 1.471 13.493 801 HG2 LYS 7 HG1 LYS 7 -6.144 -0.335 12.097 802 HG3 LYS 7 HG2 LYS 7 -6.290 0.509 13.658 803 HD2 LYS 7 HD1 LYS 7 -6.841 1.687 10.931 804 HD3 LYS 7 HD2 LYS 7 -8.054 1.125 12.106 805 HE2 LYS 7 HE1 LYS 7 -7.476 2.903 13.641 806 HE3 LYS 7 HE2 LYS 7 -6.104 3.396 12.626 807 HZ1 LYS 7 HZ1 LYS 7 -8.014 4.794 12.280 808 HZ2 LYS 7 HZ2 LYS 7 -7.668 3.962 10.898 809 HZ3 LYS 7 HZ3 LYS 7 -8.941 3.503 11.841 810 H ALA 8 H ALA 8 -1.996 1.353 9.807 811 HA ALA 8 HA ALA 8 0.142 2.662 11.268 812 HB1 ALA 8 HB1 ALA 8 1.410 2.258 9.175 813 HB2 ALA 8 HB2 ALA 8 0.554 0.789 9.702 814 HB3 ALA 8 HB3 ALA 8 -0.094 1.763 8.361 815 H LEU 9 H LEU 9 -1.509 3.431 8.155 816 HA LEU 9 HA LEU 9 -0.393 5.947 7.693 817 HB2 LEU 9 HB1 LEU 9 -2.997 4.656 6.865 818 HB3 LEU 9 HB2 LEU 9 -2.531 6.281 6.307 819 HG LEU 9 HG LEU 9 -2.155 4.643 4.602 820 HD11 LEU 9 HD11 LEU 9 0.206 5.108 4.042 821 HD12 LEU 9 HD12 LEU 9 -0.614 6.545 4.688 822 HD13 LEU 9 HD13 LEU 9 0.496 5.610 5.720 823 HD21 LEU 9 HD21 LEU 9 -0.489 2.834 4.759 824 HD22 LEU 9 HD22 LEU 9 -0.219 3.242 6.465 825 HD23 LEU 9 HD23 LEU 9 -1.804 2.627 5.933 826 H THR 10 H THR 10 -3.363 5.175 9.643 827 HA THR 10 HA THR 10 -4.136 7.875 9.995 828 HB THR 10 HB THR 10 -4.908 6.719 12.374 829 HG1 THR 10 HG1 THR 10 -5.805 4.739 11.710 830 HG21 THR 10 HG21 THR 10 -7.109 6.642 11.251 831 HG22 THR 10 HG22 THR 10 -6.220 8.124 10.830 832 HG23 THR 10 HG23 THR 10 -6.304 6.776 9.671 833 H THR 11 H THR 11 -1.808 5.907 11.913 834 HA THR 11 HA THR 11 -1.201 7.993 13.776 835 HB THR 11 HB THR 11 0.782 5.951 12.761 836 HG1 THR 11 HG1 THR 11 -0.106 4.575 14.371 837 HG21 THR 11 HG21 THR 11 1.586 6.008 15.106 838 HG22 THR 11 HG22 THR 11 1.622 7.625 14.372 839 HG23 THR 11 HG23 THR 11 0.319 7.189 15.503 840 H MET 12 H MET 12 -0.108 7.375 10.435 841 HA MET 12 HA MET 12 2.023 9.317 10.542 842 HB2 MET 12 HB1 MET 12 0.589 8.200 8.116 843 HB3 MET 12 HB2 MET 12 2.078 9.177 8.092 844 HG2 MET 12 HG1 MET 12 3.254 7.447 9.369 845 HG3 MET 12 HG2 MET 12 1.771 6.483 9.465 846 HE1 MET 12 HE1 MET 12 4.938 6.319 6.285 847 HE2 MET 12 HE2 MET 12 4.674 7.822 7.196 848 HE3 MET 12 HE3 MET 12 5.019 6.304 8.062 849 H VAL 13 H VAL 13 -1.379 9.516 9.200 850 HA VAL 13 HA VAL 13 -1.025 12.240 8.453 851 HB VAL 13 HB VAL 13 -3.406 12.495 8.243 852 HG11 VAL 13 HG11 VAL 13 -3.853 10.722 6.575 853 HG12 VAL 13 HG12 VAL 13 -2.197 11.349 6.436 854 HG13 VAL 13 HG13 VAL 13 -2.492 9.780 7.224 855 HG21 VAL 13 HG21 VAL 13 -5.002 10.685 8.772 856 HG22 VAL 13 HG22 VAL 13 -3.680 9.740 9.486 857 HG23 VAL 13 HG23 VAL 13 -4.177 11.279 10.228 858 H THR 14 H THR 14 -1.884 10.815 11.561 859 HA THR 14 HA THR 14 -2.649 13.208 12.914 860 HB THR 14 HB THR 14 -1.355 10.673 13.988 861 HG1 THR 14 HG1 THR 14 -3.564 10.150 14.390 862 HG21 THR 14 HG21 THR 14 -2.483 11.267 16.120 863 HG22 THR 14 HG22 THR 14 -1.323 12.524 15.640 864 HG23 THR 14 HG23 THR 14 -3.067 12.775 15.383 865 H THR 15 H THR 15 0.571 11.649 12.485 866 HA THR 15 HA THR 15 1.912 13.544 14.232 867 HB THR 15 HB THR 15 3.160 11.533 12.335 868 HG1 THR 15 HG1 THR 15 3.089 10.176 14.198 869 HG21 THR 15 HG21 THR 15 4.984 11.541 14.022 870 HG22 THR 15 HG22 THR 15 4.720 13.170 13.360 871 HG23 THR 15 HG23 THR 15 4.093 12.751 14.972 872 H PHE 16 H PHE 16 2.055 12.906 10.678 873 HA PHE 16 HA PHE 16 3.769 15.020 9.977 874 HB2 PHE 16 HB1 PHE 16 3.210 13.184 8.508 875 HB3 PHE 16 HB2 PHE 16 1.498 13.646 8.504 876 HD1 PHE 16 HD2 PHE 16 0.733 15.643 7.242 877 HD2 PHE 16 HD1 PHE 16 4.825 14.316 7.081 878 HE1 PHE 16 HE2 PHE 16 1.085 16.960 5.166 879 HE2 PHE 16 HE1 PHE 16 5.130 15.520 4.933 880 HZ PHE 16 HZ PHE 16 3.262 16.850 3.975 881 H HIS 17 H HIS 17 0.143 15.073 10.238 882 HA HIS 17 HA HIS 17 -0.181 17.713 9.300 883 HB2 HIS 17 HB1 HIS 17 -2.022 16.136 9.592 884 HB3 HIS 17 HB2 HIS 17 -1.803 16.177 11.352 885 HD1 HIS 17 HD1 HIS 17 -2.392 18.681 12.497 886 HD2 HIS 17 HD2 HIS 17 -3.648 17.920 8.569 887 HE1 HIS 17 HE1 HIS 17 -4.088 20.495 11.920 888 HE2 HIS 17 HE2 HIS 17 -4.892 20.044 9.525 889 H LYS 18 H LYS 18 0.952 16.653 12.539 890 HA LYS 18 HA LYS 18 0.550 19.118 13.889 891 HB2 LYS 18 HB1 LYS 18 1.125 16.801 14.772 892 HB3 LYS 18 HB2 LYS 18 2.816 17.171 14.354 893 HG2 LYS 18 HG1 LYS 18 1.542 19.264 15.972 894 HG3 LYS 18 HG2 LYS 18 1.582 17.680 16.778 895 HD2 LYS 18 HD1 LYS 18 4.011 17.544 16.430 896 HD3 LYS 18 HD2 LYS 18 3.986 19.106 15.575 897 HE2 LYS 18 HE1 LYS 18 4.759 19.447 17.853 898 HE3 LYS 18 HE2 LYS 18 3.162 20.199 17.652 899 HZ1 LYS 18 HZ1 LYS 18 3.325 18.998 19.716 900 HZ2 LYS 18 HZ2 LYS 18 2.200 18.296 18.740 901 HZ3 LYS 18 HZ3 LYS 18 3.681 17.597 18.925 902 H TYR 19 H TYR 19 2.770 18.396 11.361 903 HA TYR 19 HA TYR 19 4.333 20.870 11.838 904 HB2 TYR 19 HB1 TYR 19 5.018 18.272 10.447 905 HB3 TYR 19 HB2 TYR 19 5.990 19.740 10.254 906 HD1 TYR 19 HD2 TYR 19 4.742 17.254 12.733 907 HD2 TYR 19 HD1 TYR 19 7.451 20.511 11.983 908 HE1 TYR 19 HE2 TYR 19 5.939 16.736 14.854 909 HE2 TYR 19 HE1 TYR 19 8.405 20.229 14.257 910 HH TYR 19 HH TYR 19 7.255 17.737 16.527 911 H SER 20 H SER 20 2.042 19.438 9.573 912 HA SER 20 HA SER 20 2.367 21.626 7.677 913 HB2 SER 20 HB1 SER 20 -0.060 19.894 8.318 914 HB3 SER 20 HB2 SER 20 0.147 20.924 6.881 915 HG SER 20 HG SER 20 0.639 18.723 6.475 916 H GLY 21 H GLY 21 0.245 20.957 10.480 917 HA2 GLY 21 HA2 GLY 21 -0.602 23.420 10.048 918 H ARG 22 H ARG 22 1.169 24.154 10.639 919 HA ARG 22 HA ARG 22 0.966 25.573 13.152 920 HB2 ARG 22 HB1 ARG 22 2.498 25.954 10.577 921 HB3 ARG 22 HB2 ARG 22 2.514 27.197 11.850 922 HG2 ARG 22 HG1 ARG 22 4.472 25.814 12.062 923 HG3 ARG 22 HG2 ARG 22 3.387 25.523 13.444 924 HD2 ARG 22 HD1 ARG 22 2.898 23.344 12.768 925 HD3 ARG 22 HD2 ARG 22 3.305 23.663 11.068 926 HE ARG 22 HE ARG 22 5.563 23.444 11.539 927 HH11 ARG 22 HH12 ARG 22 3.779 22.401 14.368 928 HH12 ARG 22 HH11 ARG 22 5.236 22.050 15.263 929 HH21 ARG 22 HH22 ARG 22 7.374 23.271 12.791 930 HH22 ARG 22 HH21 ARG 22 7.250 22.538 14.377 931 H GLU 23 H GLU 23 0.353 26.479 9.756 932 HA GLU 23 HA GLU 23 -2.216 27.703 10.319 933 HB2 GLU 23 HB1 GLU 23 0.131 29.390 9.397 934 HB3 GLU 23 HB2 GLU 23 -1.557 29.821 9.029 935 HG2 GLU 23 HG1 GLU 23 -1.963 29.846 11.540 936 HG3 GLU 23 HG2 GLU 23 -0.201 29.731 11.736 937 H GLY 24 H GLY 24 0.476 27.527 7.877 938 HA2 GLY 24 HA2 GLY 24 -1.612 27.424 6.262 939 H SER 25 H SER 25 -0.940 25.101 6.924 940 HA SER 25 HA SER 25 -2.160 24.007 4.592 941 HB2 SER 25 HB1 SER 25 0.206 24.045 3.761 942 HB3 SER 25 HB2 SER 25 0.641 22.938 5.085 943 HG SER 25 HG SER 25 0.147 21.826 3.123 944 H LYS 26 H LYS 26 -2.793 21.773 4.809 945 HA LYS 26 HA LYS 26 -2.380 20.520 7.479 946 HB2 LYS 26 HB1 LYS 26 -4.811 20.419 5.640 947 HB3 LYS 26 HB2 LYS 26 -4.653 19.561 7.191 948 HG2 LYS 26 HG1 LYS 26 -4.201 21.833 8.261 949 HG3 LYS 26 HG2 LYS 26 -4.692 22.566 6.714 950 HD2 LYS 26 HD1 LYS 26 -6.434 20.812 8.468 951 HD3 LYS 26 HD2 LYS 26 -6.494 22.590 8.388 952 HE2 LYS 26 HE1 LYS 26 -7.049 22.402 5.950 953 HE3 LYS 26 HE2 LYS 26 -7.128 20.637 6.146 954 HZ1 LYS 26 HZ1 LYS 26 -9.287 21.645 6.301 955 HZ2 LYS 26 HZ2 LYS 26 -8.879 20.957 7.742 956 HZ3 LYS 26 HZ3 LYS 26 -8.806 22.594 7.560 957 H LEU 27 H LEU 27 -1.434 20.253 4.286 958 HA LEU 27 HA LEU 27 -1.165 17.304 4.368 959 HB2 LEU 27 HB1 LEU 27 -2.341 18.935 2.095 960 HB3 LEU 27 HB2 LEU 27 -1.884 17.219 1.972 961 HG LEU 27 HG LEU 27 -3.997 18.334 3.847 962 HD11 LEU 27 HD11 LEU 27 -5.628 17.289 2.296 963 HD12 LEU 27 HD12 LEU 27 -4.656 18.528 1.470 964 HD13 LEU 27 HD13 LEU 27 -4.292 16.803 1.228 965 HD21 LEU 27 HD21 LEU 27 -4.682 15.970 4.154 966 HD22 LEU 27 HD22 LEU 27 -3.342 15.454 3.108 967 HD23 LEU 27 HD23 LEU 27 -3.003 16.228 4.674 968 H THR 28 H THR 28 0.418 20.199 3.937 969 HA THR 28 HA THR 28 2.806 18.874 2.782 970 HB THR 28 HB THR 28 3.375 21.091 1.691 971 HG1 THR 28 HG1 THR 28 1.549 22.425 1.269 972 HG21 THR 28 HG21 THR 28 1.963 20.761 -0.317 973 HG22 THR 28 HG22 THR 28 2.562 19.213 0.314 974 HG23 THR 28 HG23 THR 28 0.883 19.713 0.626 975 H LEU 29 H LEU 29 4.834 20.208 3.303 976 HA LEU 29 HA LEU 29 4.770 22.129 5.474 977 HB2 LEU 29 HB1 LEU 29 5.812 20.951 7.170 978 HB3 LEU 29 HB2 LEU 29 4.594 19.807 6.556 979 HG LEU 29 HG LEU 29 7.583 19.730 6.039 980 HD11 LEU 29 HD11 LEU 29 7.488 17.668 7.411 981 HD12 LEU 29 HD12 LEU 29 6.897 19.078 8.322 982 HD13 LEU 29 HD13 LEU 29 5.740 17.907 7.644 983 HD21 LEU 29 HD21 LEU 29 7.211 17.545 4.942 984 HD22 LEU 29 HD22 LEU 29 5.458 17.758 5.127 985 HD23 LEU 29 HD23 LEU 29 6.383 18.857 4.077 986 H SER 30 H SER 30 7.129 22.926 5.988 987 HA SER 30 HA SER 30 8.468 23.188 3.436 988 HB2 SER 30 HB1 SER 30 9.424 25.025 4.240 989 HB3 SER 30 HB2 SER 30 8.304 24.829 5.609 990 HG SER 30 HG SER 30 10.479 25.173 6.279 991 H ARG 31 H ARG 31 10.711 22.825 2.978 992 HA ARG 31 HA ARG 31 11.746 20.283 3.509 993 HB2 ARG 31 HB1 ARG 31 12.447 22.637 2.096 994 HB3 ARG 31 HB2 ARG 31 13.856 22.210 3.096 995 HG2 ARG 31 HG1 ARG 31 14.457 20.810 1.503 996 HG3 ARG 31 HG2 ARG 31 13.054 19.808 1.945 997 HD2 ARG 31 HD1 ARG 31 11.694 21.135 0.290 998 HD3 ARG 31 HD2 ARG 31 13.201 21.917 -0.232 999 HE ARG 31 HE ARG 31 12.229 19.409 -1.073 1000 HH11 ARG 31 HH12 ARG 31 15.371 20.860 -0.337 1001 HH12 ARG 31 HH11 ARG 31 16.243 19.590 -1.154 1002 HH21 ARG 31 HH22 ARG 31 13.417 17.750 -1.953 1003 HH22 ARG 31 HH21 ARG 31 15.158 17.868 -2.048 1004 H LYS 32 H LYS 32 12.330 23.305 5.418 1005 HA LYS 32 HA LYS 32 14.135 21.901 7.217 1006 HB2 LYS 32 HB1 LYS 32 13.346 24.673 6.733 1007 HB3 LYS 32 HB2 LYS 32 13.499 24.285 8.464 1008 HG2 LYS 32 HG1 LYS 32 15.740 23.283 8.023 1009 HG3 LYS 32 HG2 LYS 32 15.587 23.722 6.306 1010 HD2 LYS 32 HD1 LYS 32 15.331 25.842 8.433 1011 HD3 LYS 32 HD2 LYS 32 16.941 25.268 7.936 1012 HE2 LYS 32 HE1 LYS 32 15.129 25.892 5.685 1013 HE3 LYS 32 HE2 LYS 32 15.522 27.290 6.707 1014 HZ1 LYS 32 HZ1 LYS 32 17.083 27.033 4.919 1015 HZ2 LYS 32 HZ2 LYS 32 17.837 26.810 6.367 1016 HZ3 LYS 32 HZ3 LYS 32 17.473 25.511 5.418 1017 H GLU 33 H GLU 33 10.650 22.869 7.399 1018 HA GLU 33 HA GLU 33 10.082 22.016 10.009 1019 HB2 GLU 33 HB1 GLU 33 8.518 21.728 7.423 1020 HB3 GLU 33 HB2 GLU 33 7.854 21.247 9.003 1021 HG2 GLU 33 HG1 GLU 33 8.930 24.030 8.631 1022 HG3 GLU 33 HG2 GLU 33 7.323 23.616 7.997 1023 H LEU 34 H LEU 34 10.306 20.041 7.027 1024 HA LEU 34 HA LEU 34 9.703 17.509 8.117 1025 HB2 LEU 34 HB1 LEU 34 9.690 18.166 5.743 1026 HB3 LEU 34 HB2 LEU 34 11.461 18.328 5.776 1027 HG LEU 34 HG LEU 34 11.686 15.915 6.170 1028 HD11 LEU 34 HD11 LEU 34 9.730 14.410 5.963 1029 HD12 LEU 34 HD12 LEU 34 9.563 15.494 7.361 1030 HD13 LEU 34 HD13 LEU 34 8.657 15.824 5.865 1031 HD21 LEU 34 HD21 LEU 34 10.915 15.171 3.931 1032 HD22 LEU 34 HD22 LEU 34 9.858 16.599 3.822 1033 HD23 LEU 34 HD23 LEU 34 11.628 16.799 3.853 1034 H LYS 35 H LYS 35 12.729 19.349 8.261 1035 HA LYS 35 HA LYS 35 14.409 17.130 9.018 1036 HB2 LYS 35 HB1 LYS 35 14.947 19.489 8.031 1037 HB3 LYS 35 HB2 LYS 35 14.903 20.018 9.729 1038 HG2 LYS 35 HG1 LYS 35 16.654 17.759 8.775 1039 HG3 LYS 35 HG2 LYS 35 17.166 19.462 8.707 1040 HD2 LYS 35 HD1 LYS 35 17.989 19.243 10.751 1041 HD3 LYS 35 HD2 LYS 35 16.329 19.032 11.357 1042 HE2 LYS 35 HE1 LYS 35 17.653 17.223 12.202 1043 HE3 LYS 35 HE2 LYS 35 16.571 16.564 10.958 1044 HZ1 LYS 35 HZ1 LYS 35 18.787 15.698 10.757 1045 HZ2 LYS 35 HZ2 LYS 35 18.408 16.601 9.432 1046 HZ3 LYS 35 HZ3 LYS 35 19.413 17.213 10.587 1047 H GLU 36 H GLU 36 12.474 19.540 10.888 1048 HA GLU 36 HA GLU 36 13.205 18.341 13.393 1049 HB2 GLU 36 HB1 GLU 36 12.305 20.603 13.474 1050 HB3 GLU 36 HB2 GLU 36 10.761 20.053 12.782 1051 HG2 GLU 36 HG1 GLU 36 10.287 18.663 14.641 1052 HG3 GLU 36 HG2 GLU 36 11.968 18.715 15.214 1053 H LEU 37 H LEU 37 10.317 17.860 11.235 1054 HA LEU 37 HA LEU 37 8.847 16.166 12.880 1055 HB2 LEU 37 HB1 LEU 37 8.038 17.115 10.789 1056 HB3 LEU 37 HB2 LEU 37 9.178 16.110 9.862 1057 HG LEU 37 HG LEU 37 7.982 14.102 10.928 1058 HD11 LEU 37 HD11 LEU 37 5.591 14.376 11.470 1059 HD12 LEU 37 HD12 LEU 37 6.628 15.252 12.612 1060 HD13 LEU 37 HD13 LEU 37 5.771 16.134 11.324 1061 HD21 LEU 37 HD21 LEU 37 6.257 14.111 9.145 1062 HD22 LEU 37 HD22 LEU 37 6.476 15.865 8.951 1063 HD23 LEU 37 HD23 LEU 37 7.805 14.750 8.550 1064 H ILE 38 H ILE 38 11.320 15.055 10.447 1065 HA ILE 38 HA ILE 38 11.035 12.313 11.174 1066 HB ILE 38 HB ILE 38 13.230 13.762 9.670 1067 HG12 ILE 38 HG13 ILE 38 10.894 12.035 8.737 1068 HG13 ILE 38 HG12 ILE 38 10.863 13.813 8.797 1069 HG21 ILE 38 HG21 ILE 38 13.900 11.535 8.812 1070 HG22 ILE 38 HG22 ILE 38 14.117 11.637 10.574 1071 HG23 ILE 38 HG23 ILE 38 12.723 10.762 9.899 1072 HD11 ILE 38 HD11 ILE 38 11.317 13.005 6.509 1073 HD12 ILE 38 HD12 ILE 38 12.703 13.900 7.168 1074 HD13 ILE 38 HD13 ILE 38 12.736 12.122 7.109 1075 H LYS 39 H LYS 39 13.200 14.810 12.576 1076 HA LYS 39 HA LYS 39 14.403 12.764 14.275 1077 HB2 LYS 39 HB1 LYS 39 14.994 15.519 13.563 1078 HB3 LYS 39 HB2 LYS 39 15.190 15.216 15.305 1079 HG2 LYS 39 HG1 LYS 39 16.555 13.788 13.007 1080 HG3 LYS 39 HG2 LYS 39 17.300 14.852 14.224 1081 HD2 LYS 39 HD1 LYS 39 16.203 12.055 14.640 1082 HD3 LYS 39 HD2 LYS 39 17.903 12.577 14.709 1083 HE2 LYS 39 HE1 LYS 39 17.630 13.621 16.792 1084 HE3 LYS 39 HE2 LYS 39 15.865 13.733 16.615 1085 HZ1 LYS 39 HZ1 LYS 39 16.498 12.023 18.161 1086 HZ2 LYS 39 HZ2 LYS 39 15.755 11.354 16.848 1087 HZ3 LYS 39 HZ3 LYS 39 17.393 11.249 17.012 1088 H LYS 40 H LYS 40 11.510 14.528 14.534 1089 HA LYS 40 HA LYS 40 11.292 14.226 17.456 1090 HB2 LYS 40 HB1 LYS 40 9.596 15.348 15.207 1091 HB3 LYS 40 HB2 LYS 40 8.920 15.099 16.834 1092 HG2 LYS 40 HG1 LYS 40 11.426 16.733 16.301 1093 HG3 LYS 40 HG2 LYS 40 9.793 17.438 16.363 1094 HD2 LYS 40 HD1 LYS 40 9.692 16.099 18.648 1095 HD3 LYS 40 HD2 LYS 40 11.462 16.254 18.544 1096 HE2 LYS 40 HE1 LYS 40 9.474 18.553 18.508 1097 HE3 LYS 40 HE2 LYS 40 10.434 18.037 19.911 1098 HZ1 LYS 40 HZ1 LYS 40 11.387 19.946 18.835 1099 HZ2 LYS 40 HZ2 LYS 40 12.401 18.655 18.711 1100 HZ3 LYS 40 HZ3 LYS 40 11.510 19.134 17.409 1101 H GLU 41 H GLU 41 10.182 12.755 14.499 1102 HA GLU 41 HA GLU 41 8.270 10.898 15.462 1103 HB2 GLU 41 HB1 GLU 41 9.993 11.116 12.980 1104 HB3 GLU 41 HB2 GLU 41 8.893 9.740 13.229 1105 HG2 GLU 41 HG1 GLU 41 6.979 11.243 13.348 1106 HG3 GLU 41 HG2 GLU 41 8.047 12.660 13.239 1107 H LEU 42 H LEU 42 11.767 10.767 15.632 1108 HA LEU 42 HA LEU 42 11.731 8.192 16.961 1109 HB2 LEU 42 HB1 LEU 42 12.418 8.401 14.113 1110 HB3 LEU 42 HB2 LEU 42 13.725 7.681 15.086 1111 HG LEU 42 HG LEU 42 10.858 6.677 15.091 1112 HD11 LEU 42 HD11 LEU 42 11.694 4.863 13.611 1113 HD12 LEU 42 HD12 LEU 42 11.875 6.455 12.838 1114 HD13 LEU 42 HD13 LEU 42 13.290 5.647 13.555 1115 HD21 LEU 42 HD21 LEU 42 11.855 4.640 16.091 1116 HD22 LEU 42 HD22 LEU 42 13.456 5.410 16.056 1117 HD23 LEU 42 HD23 LEU 42 12.172 6.072 17.096 1118 H CYS 43 H CYS 43 13.545 7.753 18.162 1119 HA CYS 43 HA CYS 43 15.510 9.843 18.615 1120 HB2 CYS 43 HB1 CYS 43 14.375 8.508 20.421 1121 HB3 CYS 43 HB2 CYS 43 15.354 7.112 19.906 1122 HG CYS 43 HG CYS 43 16.414 8.203 22.045 1123 H LEU 44 H LEU 44 15.847 9.097 15.975 1124 HA LEU 44 HA LEU 44 18.171 7.488 15.668 1125 HB2 LEU 44 HB1 LEU 44 17.610 10.086 14.215 1126 HB3 LEU 44 HB2 LEU 44 18.712 8.783 13.708 1127 HG LEU 44 HG LEU 44 16.349 7.421 13.884 1128 HD11 LEU 44 HD11 LEU 44 14.616 8.807 12.766 1129 HD12 LEU 44 HD12 LEU 44 15.060 9.489 14.348 1130 HD13 LEU 44 HD13 LEU 44 15.695 10.219 12.852 1131 HD21 LEU 44 HD21 LEU 44 16.291 7.607 11.411 1132 HD22 LEU 44 HD22 LEU 44 17.377 9.015 11.494 1133 HD23 LEU 44 HD23 LEU 44 17.959 7.410 11.998 1134 H GLY 45 H GLY 45 19.856 7.605 16.989 1135 HA2 GLY 45 HA2 GLY 45 21.398 9.439 16.611 1136 H GLU 46 H GLU 46 21.698 7.257 19.149 1137 HA GLU 46 HA GLU 46 24.309 6.510 18.213 1138 HB2 GLU 46 HB1 GLU 46 24.022 4.696 19.949 1139 HB3 GLU 46 HB2 GLU 46 23.983 6.386 20.508 1140 HG2 GLU 46 HG1 GLU 46 21.396 4.951 19.955 1141 HG3 GLU 46 HG2 GLU 46 22.283 4.616 21.458 1142 H MET 47 H MET 47 22.518 6.331 16.079 1143 HA MET 47 HA MET 47 22.878 3.493 15.332 1144 HB2 MET 47 HB1 MET 47 20.722 3.478 14.183 1145 HB3 MET 47 HB2 MET 47 20.554 3.715 15.938 1146 HG2 MET 47 HG1 MET 47 20.078 6.057 15.643 1147 HG3 MET 47 HG2 MET 47 20.463 5.973 13.916 1148 HE1 MET 47 HE1 MET 47 16.734 4.252 16.017 1149 HE2 MET 47 HE2 MET 47 18.382 3.660 16.342 1150 HE3 MET 47 HE3 MET 47 17.942 5.336 16.750 1151 H LYS 48 H LYS 48 21.715 4.092 12.578 1152 HA LYS 48 HA LYS 48 23.929 5.407 11.344 1153 HB2 LYS 48 HB1 LYS 48 21.239 4.480 10.445 1154 HB3 LYS 48 HB2 LYS 48 22.133 5.620 9.410 1155 HG2 LYS 48 HG1 LYS 48 22.819 3.514 8.629 1156 HG3 LYS 48 HG2 LYS 48 24.140 4.012 9.713 1157 HD2 LYS 48 HD1 LYS 48 23.874 2.122 10.904 1158 HD3 LYS 48 HD2 LYS 48 22.194 2.582 11.272 1159 HE2 LYS 48 HE1 LYS 48 21.856 0.601 10.138 1160 HE3 LYS 48 HE2 LYS 48 21.746 1.779 8.812 1161 HZ1 LYS 48 HZ1 LYS 48 23.056 -0.114 8.211 1162 HZ2 LYS 48 HZ2 LYS 48 23.985 1.243 8.234 1163 HZ3 LYS 48 HZ3 LYS 48 24.088 0.149 9.465 1164 H GLU 49 H GLU 49 23.622 7.523 9.943 1165 HA GLU 49 HA GLU 49 23.177 9.554 12.001 1166 HB2 GLU 49 HB1 GLU 49 25.796 9.751 12.148 1167 HB3 GLU 49 HB2 GLU 49 24.873 8.666 13.215 1168 HG2 GLU 49 HG1 GLU 49 27.009 7.701 12.329 1169 HG3 GLU 49 HG2 GLU 49 25.559 6.734 11.978 1170 H SER 50 H SER 50 26.148 10.040 10.156 1171 HA SER 50 HA SER 50 25.110 11.939 8.378 1172 HB2 SER 50 HB1 SER 50 27.105 11.598 7.050 1173 HB3 SER 50 HB2 SER 50 27.515 11.521 8.781 1174 HG SER 50 HG SER 50 28.544 9.872 7.548 1175 H SER 51 H SER 51 25.053 8.363 8.035 1176 HA SER 51 HA SER 51 24.038 8.364 5.367 1177 HB2 SER 51 HB1 SER 51 25.072 6.407 6.391 1178 HB3 SER 51 HB2 SER 51 23.792 6.341 7.627 1179 HG SER 51 HG SER 51 23.439 4.865 5.899 1180 H ILE 52 H ILE 52 22.402 9.585 8.128 1181 HA ILE 52 HA ILE 52 19.973 9.530 6.418 1182 HB ILE 52 HB ILE 52 18.508 9.621 8.202 1183 HG12 ILE 52 HG13 ILE 52 19.512 9.352 10.661 1184 HG13 ILE 52 HG12 ILE 52 20.774 10.393 9.958 1185 HG21 ILE 52 HG21 ILE 52 18.932 7.523 9.446 1186 HG22 ILE 52 HG22 ILE 52 19.390 7.382 7.737 1187 HG23 ILE 52 HG23 ILE 52 20.644 7.606 8.980 1188 HD11 ILE 52 HD11 ILE 52 19.025 11.746 11.079 1189 HD12 ILE 52 HD12 ILE 52 19.056 12.053 9.330 1190 HD13 ILE 52 HD13 ILE 52 17.793 11.012 10.030 1191 H ASP 53 H ASP 53 22.219 11.543 8.277 1192 HA ASP 53 HA ASP 53 20.554 13.873 7.827 1193 HB2 ASP 53 HB1 ASP 53 22.426 13.227 9.802 1194 HB3 ASP 53 HB2 ASP 53 23.107 14.612 8.921 1195 H ASP 54 H ASP 54 23.131 12.403 5.980 1196 HA ASP 54 HA ASP 54 23.661 14.668 4.318 1197 HB2 ASP 54 HB1 ASP 54 24.877 12.489 4.193 1198 HB3 ASP 54 HB2 ASP 54 23.413 11.734 3.523 1199 H LEU 55 H LEU 55 21.014 12.203 4.242 1200 HA LEU 55 HA LEU 55 19.629 13.327 2.012 1201 HB2 LEU 55 HB1 LEU 55 18.503 11.757 4.347 1202 HB3 LEU 55 HB2 LEU 55 17.712 12.035 2.778 1203 HG LEU 55 HG LEU 55 20.264 10.455 3.202 1204 HD11 LEU 55 HD11 LEU 55 18.848 8.472 2.748 1205 HD12 LEU 55 HD12 LEU 55 18.287 9.349 4.190 1206 HD13 LEU 55 HD13 LEU 55 17.415 9.521 2.647 1207 HD21 LEU 55 HD21 LEU 55 19.935 9.698 0.868 1208 HD22 LEU 55 HD22 LEU 55 18.514 10.757 0.728 1209 HD23 LEU 55 HD23 LEU 55 20.133 11.462 0.955 1210 H MET 56 H MET 56 19.451 14.004 5.543 1211 HA MET 56 HA MET 56 17.467 16.051 5.375 1212 HB2 MET 56 HB1 MET 56 19.761 15.790 7.338 1213 HB3 MET 56 HB2 MET 56 18.295 16.777 7.547 1214 HG2 MET 56 HG1 MET 56 17.778 13.919 7.048 1215 HG3 MET 56 HG2 MET 56 18.691 14.243 8.532 1216 HE1 MET 56 HE1 MET 56 14.257 15.057 7.706 1217 HE2 MET 56 HE2 MET 56 15.508 15.587 6.557 1218 HE3 MET 56 HE3 MET 56 15.317 13.858 6.928 1219 H LYS 57 H LYS 57 21.044 16.190 4.956 1220 HA LYS 57 HA LYS 57 21.198 19.012 4.500 1221 HB2 LYS 57 HB1 LYS 57 22.979 16.959 4.815 1222 HB3 LYS 57 HB2 LYS 57 23.108 17.266 3.067 1223 HG2 LYS 57 HG1 LYS 57 23.561 19.282 5.277 1224 HG3 LYS 57 HG2 LYS 57 24.821 18.452 4.334 1225 HD2 LYS 57 HD1 LYS 57 24.800 20.456 3.259 1226 HD3 LYS 57 HD2 LYS 57 23.570 19.598 2.301 1227 HE2 LYS 57 HE1 LYS 57 22.859 21.884 2.785 1228 HE3 LYS 57 HE2 LYS 57 21.790 20.710 3.581 1229 HZ1 LYS 57 HZ1 LYS 57 22.345 22.529 5.028 1230 HZ2 LYS 57 HZ2 LYS 57 22.962 21.121 5.624 1231 HZ3 LYS 57 HZ3 LYS 57 23.955 22.212 4.885 1232 H SER 58 H SER 58 20.376 16.288 2.342 1233 HA SER 58 HA SER 58 20.232 17.859 -0.054 1234 HB2 SER 58 HB1 SER 58 20.436 15.328 0.151 1235 HB3 SER 58 HB2 SER 58 18.696 15.314 0.524 1236 HG SER 58 HG SER 58 19.128 15.073 -1.720 1237 H LEU 59 H LEU 59 17.927 17.440 2.641 1238 HA LEU 59 HA LEU 59 15.835 18.918 1.315 1239 HB2 LEU 59 HB1 LEU 59 16.420 18.810 4.283 1240 HB3 LEU 59 HB2 LEU 59 14.899 19.296 3.498 1241 HG LEU 59 HG LEU 59 16.103 16.511 3.593 1242 HD11 LEU 59 HD11 LEU 59 14.068 16.016 4.918 1243 HD12 LEU 59 HD12 LEU 59 15.031 17.305 5.676 1244 HD13 LEU 59 HD13 LEU 59 13.556 17.714 4.767 1245 HD21 LEU 59 HD21 LEU 59 14.060 15.735 2.432 1246 HD22 LEU 59 HD22 LEU 59 13.528 17.420 2.248 1247 HD23 LEU 59 HD23 LEU 59 14.996 16.853 1.415 1248 H ASP 60 H ASP 60 18.363 19.891 3.650 1249 HA ASP 60 HA ASP 60 17.765 22.672 3.489 1250 HB2 ASP 60 HB1 ASP 60 18.603 21.451 5.456 1251 HB3 ASP 60 HB2 ASP 60 20.179 21.286 4.653 1252 H LYS 61 H LYS 61 19.686 20.802 1.290 1253 HA LYS 61 HA LYS 61 21.168 22.777 -0.001 1254 HB2 LYS 61 HB1 LYS 61 19.703 20.248 -0.575 1255 HB3 LYS 61 HB2 LYS 61 20.047 21.259 -1.999 1256 HG2 LYS 61 HG1 LYS 61 22.334 20.958 -0.136 1257 HG3 LYS 61 HG2 LYS 61 21.810 19.443 -0.911 1258 HD2 LYS 61 HD1 LYS 61 23.473 20.563 -2.306 1259 HD3 LYS 61 HD2 LYS 61 21.889 20.556 -3.117 1260 HE2 LYS 61 HE1 LYS 61 21.652 22.948 -2.033 1261 HE3 LYS 61 HE2 LYS 61 23.423 22.862 -1.933 1262 HZ1 LYS 61 HZ1 LYS 61 22.697 23.912 -3.953 1263 HZ2 LYS 61 HZ2 LYS 61 23.476 22.501 -4.296 1264 HZ3 LYS 61 HZ3 LYS 61 21.831 22.580 -4.388 1265 H ASN 62 H ASN 62 17.629 22.463 0.057 1266 HA ASN 62 HA ASN 62 17.407 24.865 -1.711 1267 HB2 ASN 62 HB1 ASN 62 15.335 22.667 -1.426 1268 HB3 ASN 62 HB2 ASN 62 15.301 24.051 -2.540 1269 HD21 ASN 62 HD21 ASN 62 14.790 22.138 -4.008 1270 HD22 ASN 62 HD22 ASN 62 16.154 21.371 -4.802 1271 H SER 63 H SER 63 15.443 23.012 0.682 1272 HA SER 63 HA SER 63 15.680 23.235 2.874 1273 HB2 SER 63 HB1 SER 63 16.931 24.752 3.979 1274 HB3 SER 63 HB2 SER 63 17.660 24.738 2.355 1275 HG SER 63 HG SER 63 17.414 26.855 3.201 1276 H ASP 64 H ASP 64 13.555 25.354 1.090 1277 HA ASP 64 HA ASP 64 11.773 25.211 3.371 1278 HB2 ASP 64 HB1 ASP 64 13.318 27.672 2.951 1279 HB3 ASP 64 HB2 ASP 64 11.571 27.929 3.134 1280 H GLN 65 H GLN 65 12.094 25.504 -0.012 1281 HA GLN 65 HA GLN 65 9.324 25.861 -0.489 1282 HB2 GLN 65 HB1 GLN 65 9.644 23.942 -2.189 1283 HB3 GLN 65 HB2 GLN 65 10.386 25.537 -2.462 1284 HG2 GLN 65 HG1 GLN 65 11.854 23.079 -1.519 1285 HG3 GLN 65 HG2 GLN 65 11.769 23.650 -3.199 1286 HE21 GLN 65 HE12 GLN 65 12.749 25.899 -3.636 1287 HE22 GLN 65 HE22 GLN 65 14.037 26.436 -2.586 1288 H GLU 66 H GLU 66 7.682 24.298 -0.743 1289 HA GLU 66 HA GLU 66 7.474 22.582 1.522 1290 HB2 GLU 66 HB1 GLU 66 5.667 23.009 -0.869 1291 HB3 GLU 66 HB2 GLU 66 5.266 21.944 0.500 1292 HG2 GLU 66 HG1 GLU 66 5.387 23.855 2.044 1293 HG3 GLU 66 HG2 GLU 66 5.842 24.928 0.702 1294 H ILE 67 H ILE 67 7.368 20.510 1.757 1295 HA ILE 67 HA ILE 67 7.390 18.653 -0.572 1296 HB ILE 67 HB ILE 67 8.562 18.465 2.203 1297 HG12 ILE 67 HG13 ILE 67 9.598 17.611 -0.528 1298 HG13 ILE 67 HG12 ILE 67 9.844 19.230 0.167 1299 HG21 ILE 67 HG21 ILE 67 8.875 16.027 1.949 1300 HG22 ILE 67 HG22 ILE 67 7.152 16.457 2.027 1301 HG23 ILE 67 HG23 ILE 67 7.901 16.059 0.463 1302 HD11 ILE 67 HD11 ILE 67 11.851 17.813 0.479 1303 HD12 ILE 67 HD12 ILE 67 11.109 18.239 2.035 1304 HD13 ILE 67 HD13 ILE 67 10.862 16.619 1.344 1305 H ASP 68 H ASP 68 5.833 17.044 -0.597 1306 HA ASP 68 HA ASP 68 3.441 17.413 1.095 1307 HB2 ASP 68 HB1 ASP 68 2.210 16.529 -0.662 1308 HB3 ASP 68 HB2 ASP 68 3.538 17.312 -1.546 1309 H PHE 69 H PHE 69 2.178 15.213 1.266 1310 HA PHE 69 HA PHE 69 3.414 13.610 3.186 1311 HB2 PHE 69 HB1 PHE 69 0.893 13.999 2.233 1312 HB3 PHE 69 HB2 PHE 69 1.237 12.390 1.575 1313 HD1 PHE 69 HD1 PHE 69 2.216 10.626 3.304 1314 HD2 PHE 69 HD2 PHE 69 0.083 14.202 4.397 1315 HE1 PHE 69 HE1 PHE 69 1.738 9.654 5.537 1316 HE2 PHE 69 HE2 PHE 69 -0.372 13.238 6.640 1317 HZ PHE 69 HZ PHE 69 0.472 10.976 7.212 1318 H LYS 70 H LYS 70 3.467 13.088 -0.393 1319 HA LYS 70 HA LYS 70 4.006 10.275 -0.280 1320 HB2 LYS 70 HB1 LYS 70 3.155 11.452 -2.259 1321 HB3 LYS 70 HB2 LYS 70 4.649 12.414 -2.350 1322 HG2 LYS 70 HG1 LYS 70 5.907 10.251 -2.703 1323 HG3 LYS 70 HG2 LYS 70 4.331 9.438 -2.850 1324 HD2 LYS 70 HD1 LYS 70 3.690 10.973 -4.691 1325 HD3 LYS 70 HD2 LYS 70 5.237 11.837 -4.524 1326 HE2 LYS 70 HE1 LYS 70 5.229 8.845 -4.866 1327 HE3 LYS 70 HE2 LYS 70 4.986 9.882 -6.288 1328 HZ1 LYS 70 HZ1 LYS 70 7.295 9.335 -5.972 1329 HZ2 LYS 70 HZ2 LYS 70 7.065 10.957 -5.780 1330 HZ3 LYS 70 HZ3 LYS 70 7.291 9.994 -4.461 1331 H GLU 71 H GLU 71 6.098 13.134 -0.672 1332 HA GLU 71 HA GLU 71 8.442 11.438 -0.986 1333 HB2 GLU 71 HB1 GLU 71 8.288 14.453 -0.983 1334 HB3 GLU 71 HB2 GLU 71 9.554 13.417 -1.684 1335 HG2 GLU 71 HG1 GLU 71 6.652 13.446 -2.604 1336 HG3 GLU 71 HG2 GLU 71 7.947 14.401 -3.360 1337 H TYR 72 H TYR 72 6.955 13.322 1.584 1338 HA TYR 72 HA TYR 72 8.895 12.893 3.612 1339 HB2 TYR 72 HB1 TYR 72 7.124 14.213 4.235 1340 HB3 TYR 72 HB2 TYR 72 5.937 13.232 3.360 1341 HD1 TYR 72 HD1 TYR 72 8.230 12.909 6.344 1342 HD2 TYR 72 HD2 TYR 72 4.410 12.006 4.581 1343 HE1 TYR 72 HE1 TYR 72 7.432 12.030 8.523 1344 HE2 TYR 72 HE2 TYR 72 3.615 11.097 6.752 1345 HH TYR 72 HH TYR 72 4.073 10.820 8.963 1346 H SER 73 H SER 73 6.222 10.719 2.520 1347 HA SER 73 HA SER 73 6.791 8.636 4.369 1348 HB2 SER 73 HB1 SER 73 4.639 9.119 3.126 1349 HB3 SER 73 HB2 SER 73 5.386 8.342 1.709 1350 HG SER 73 HG SER 73 4.164 6.878 2.986 1351 H VAL 74 H VAL 74 7.951 9.060 0.944 1352 HA VAL 74 HA VAL 74 9.349 6.563 1.006 1353 HB VAL 74 HB VAL 74 10.501 7.120 -0.934 1354 HG11 VAL 74 HG11 VAL 74 8.710 7.751 -2.490 1355 HG12 VAL 74 HG12 VAL 74 8.139 6.634 -1.234 1356 HG13 VAL 74 HG13 VAL 74 7.753 8.367 -1.127 1357 HG21 VAL 74 HG21 VAL 74 10.595 9.324 -2.016 1358 HG22 VAL 74 HG22 VAL 74 9.725 10.026 -0.638 1359 HG23 VAL 74 HG23 VAL 74 11.350 9.335 -0.410 1360 H PHE 75 H PHE 75 10.261 9.796 2.214 1361 HA PHE 75 HA PHE 75 13.051 9.164 2.562 1362 HB2 PHE 75 HB1 PHE 75 11.884 11.440 2.475 1363 HB3 PHE 75 HB2 PHE 75 11.429 11.145 4.162 1364 HD1 PHE 75 HD2 PHE 75 13.575 10.354 5.680 1365 HD2 PHE 75 HD1 PHE 75 13.781 12.718 2.091 1366 HE1 PHE 75 HE2 PHE 75 15.613 11.482 6.541 1367 HE2 PHE 75 HE1 PHE 75 15.832 13.830 2.943 1368 HZ PHE 75 HZ PHE 75 16.726 13.235 5.182 1369 H LEU 76 H LEU 76 10.248 9.117 4.876 1370 HA LEU 76 HA LEU 76 11.488 7.806 7.025 1371 HB2 LEU 76 HB1 LEU 76 8.699 7.903 5.896 1372 HB3 LEU 76 HB2 LEU 76 9.059 6.761 7.213 1373 HG LEU 76 HG LEU 76 9.501 9.769 7.371 1374 HD11 LEU 76 HD11 LEU 76 7.445 9.715 8.755 1375 HD12 LEU 76 HD12 LEU 76 7.115 9.138 7.102 1376 HD13 LEU 76 HD13 LEU 76 7.271 7.971 8.436 1377 HD21 LEU 76 HD21 LEU 76 9.705 9.330 9.804 1378 HD22 LEU 76 HD22 LEU 76 9.523 7.585 9.505 1379 HD23 LEU 76 HD23 LEU 76 10.951 8.450 8.888 1380 H THR 77 H THR 77 9.883 6.330 4.158 1381 HA THR 77 HA THR 77 10.269 3.607 4.932 1382 HB THR 77 HB THR 77 9.851 4.883 2.208 1383 HG1 THR 77 HG1 THR 77 7.701 4.235 2.699 1384 HG21 THR 77 HG21 THR 77 9.014 2.659 1.500 1385 HG22 THR 77 HG22 THR 77 10.727 2.582 1.966 1386 HG23 THR 77 HG23 THR 77 9.475 1.988 3.080 1387 H MET 78 H MET 78 12.227 5.811 2.906 1388 HA MET 78 HA MET 78 14.329 4.029 2.260 1389 HB2 MET 78 HB1 MET 78 14.052 6.108 1.108 1390 HB3 MET 78 HB2 MET 78 14.216 7.033 2.619 1391 HG2 MET 78 HG1 MET 78 16.524 6.641 2.745 1392 HG3 MET 78 HG2 MET 78 16.457 5.315 1.574 1393 HE1 MET 78 HE1 MET 78 15.434 9.540 -0.089 1394 HE2 MET 78 HE2 MET 78 14.281 8.343 0.533 1395 HE3 MET 78 HE3 MET 78 15.358 9.211 1.653 1396 H LEU 79 H LEU 79 13.988 6.238 5.118 1397 HA LEU 79 HA LEU 79 16.435 5.463 6.332 1398 HB2 LEU 79 HB1 LEU 79 14.044 7.036 6.998 1399 HB3 LEU 79 HB2 LEU 79 14.820 6.275 8.407 1400 HG LEU 79 HG LEU 79 16.902 7.353 7.957 1401 HD11 LEU 79 HD11 LEU 79 17.324 8.881 6.066 1402 HD12 LEU 79 HD12 LEU 79 16.982 7.229 5.512 1403 HD13 LEU 79 HD13 LEU 79 15.727 8.486 5.398 1404 HD21 LEU 79 HD21 LEU 79 16.243 9.723 8.187 1405 HD22 LEU 79 HD22 LEU 79 14.617 9.328 7.584 1406 HD23 LEU 79 HD23 LEU 79 15.180 8.657 9.134 1407 H CYS 80 H CYS 80 13.109 4.130 6.843 1408 HA CYS 80 HA CYS 80 13.757 2.273 8.843 1409 HB2 CYS 80 HB1 CYS 80 11.490 2.819 8.106 1410 HB3 CYS 80 HB2 CYS 80 11.798 2.058 6.526 1411 HG CYS 80 HG CYS 80 10.296 0.493 7.987 1412 H MET 81 H MET 81 13.993 1.741 5.251 1413 HA MET 81 HA MET 81 15.315 -0.805 5.614 1414 HB2 MET 81 HB1 MET 81 14.359 0.860 3.380 1415 HB3 MET 81 HB2 MET 81 15.820 -0.091 3.014 1416 HG2 MET 81 HG1 MET 81 13.608 -1.203 2.491 1417 HG3 MET 81 HG2 MET 81 14.747 -2.136 3.475 1418 HE1 MET 81 HE1 MET 81 10.756 -0.295 4.983 1419 HE2 MET 81 HE2 MET 81 12.122 0.712 4.456 1420 HE3 MET 81 HE3 MET 81 11.282 -0.332 3.285 1421 H ALA 82 H ALA 82 16.521 2.517 5.459 1422 HA ALA 82 HA ALA 82 19.198 2.020 4.750 1423 HB1 ALA 82 HB1 ALA 82 19.725 4.150 5.887 1424 HB2 ALA 82 HB2 ALA 82 18.253 4.284 4.900 1425 HB3 ALA 82 HB3 ALA 82 18.128 4.123 6.667 1426 H TYR 83 H TYR 83 17.565 1.558 7.908 1427 HA TYR 83 HA TYR 83 20.148 0.581 8.934 1428 HB2 TYR 83 HB1 TYR 83 19.664 1.697 11.123 1429 HB3 TYR 83 HB2 TYR 83 20.093 2.748 9.763 1430 HD1 TYR 83 HD2 TYR 83 17.015 1.411 11.524 1431 HD2 TYR 83 HD1 TYR 83 18.934 4.671 9.460 1432 HE1 TYR 83 HE2 TYR 83 14.996 2.819 11.872 1433 HE2 TYR 83 HE1 TYR 83 16.949 6.099 9.855 1434 HH TYR 83 HH TYR 83 14.011 4.868 11.510 1435 H ASN 84 H ASN 84 16.747 -0.266 8.831 1436 HA ASN 84 HA ASN 84 17.041 -2.077 11.064 1437 HB2 ASN 84 HB1 ASN 84 15.142 -1.977 8.731 1438 HB3 ASN 84 HB2 ASN 84 15.194 -3.394 9.800 1439 HD21 ASN 84 HD21 ASN 84 14.462 0.063 9.607 1440 HD22 ASN 84 HD22 ASN 84 13.641 0.173 11.156 1441 H ASP 85 H ASP 85 18.279 -3.746 11.235 1442 HA ASP 85 HA ASP 85 19.033 -5.477 8.963 1443 HB2 ASP 85 HB1 ASP 85 20.483 -6.546 10.684 1444 HB3 ASP 85 HB2 ASP 85 20.836 -4.826 10.408 1445 H PHE 86 H PHE 86 16.860 -5.304 11.712 1446 HA PHE 86 HA PHE 86 16.426 -8.023 12.253 1447 HB2 PHE 86 HB1 PHE 86 15.202 -5.425 12.900 1448 HB3 PHE 86 HB2 PHE 86 14.072 -6.788 12.965 1449 HD1 PHE 86 HD2 PHE 86 17.191 -5.363 14.409 1450 HD2 PHE 86 HD1 PHE 86 14.267 -8.511 14.651 1451 HE1 PHE 86 HE2 PHE 86 18.072 -6.016 16.639 1452 HE2 PHE 86 HE1 PHE 86 15.128 -9.148 16.894 1453 HZ PHE 86 HZ PHE 86 17.035 -7.900 17.891 1454 H PHE 87 H PHE 87 15.658 -6.719 9.261 1455 HA PHE 87 HA PHE 87 13.501 -8.731 8.875 1456 HB2 PHE 87 HB1 PHE 87 14.288 -6.622 6.863 1457 HB3 PHE 87 HB2 PHE 87 12.768 -7.523 6.991 1458 HD1 PHE 87 HD2 PHE 87 11.984 -7.049 9.829 1459 HD2 PHE 87 HD1 PHE 87 13.660 -4.393 6.882 1460 HE1 PHE 87 HE2 PHE 87 11.091 -5.096 11.076 1461 HE2 PHE 87 HE1 PHE 87 12.699 -2.449 8.090 1462 HZ PHE 87 HZ PHE 87 11.492 -2.795 10.233 1463 H LEU 88 H LEU 88 16.835 -8.417 8.444 1464 HA LEU 88 HA LEU 88 16.987 -9.764 5.798 1465 HB2 LEU 88 HB1 LEU 88 18.596 -7.724 7.312 1466 HB3 LEU 88 HB2 LEU 88 19.427 -8.768 6.132 1467 HG LEU 88 HG LEU 88 18.835 -6.597 5.220 1468 HD11 LEU 88 HD11 LEU 88 17.795 -7.351 3.115 1469 HD12 LEU 88 HD12 LEU 88 19.006 -8.505 3.705 1470 HD13 LEU 88 HD13 LEU 88 17.272 -8.846 3.919 1471 HD21 LEU 88 HD21 LEU 88 16.513 -5.938 4.732 1472 HD22 LEU 88 HD22 LEU 88 15.933 -7.375 5.598 1473 HD23 LEU 88 HD23 LEU 88 16.806 -6.094 6.476 1474 H GLU 89 H GLU 89 19.812 -10.441 6.227 1475 HA GLU 89 HA GLU 89 19.490 -12.894 7.888 1476 HB2 GLU 89 HB1 GLU 89 21.579 -12.423 5.761 1477 HB3 GLU 89 HB2 GLU 89 20.948 -13.965 6.386 1478 HG2 GLU 89 HG1 GLU 89 19.796 -12.132 4.304 1479 HG3 GLU 89 HG2 GLU 89 20.153 -13.871 4.212 1480 H ASP 90 H ASP 90 20.794 -9.930 8.288 1481 HA ASP 90 HA ASP 90 23.492 -10.473 9.172 1482 HB2 ASP 90 HB1 ASP 90 24.579 -9.414 7.222 1483 HB3 ASP 90 HB2 ASP 90 23.740 -10.917 6.782 1484 H ASN 91 H ASN 91 24.528 -8.625 10.010 1485 HA ASN 91 HA ASN 91 22.663 -6.569 10.873 1486 HB2 ASN 91 HB1 ASN 91 25.583 -7.034 11.559 1487 HB3 ASN 91 HB2 ASN 91 24.511 -5.855 12.349 1488 HD21 ASN 91 HD21 ASN 91 22.349 -6.948 13.200 1489 HD22 ASN 91 HD22 ASN 91 22.582 -8.462 14.060 1490 H LYS 92 H LYS 92 22.198 -5.352 9.074 1491 HA LYS 92 HA LYS 92 24.334 -3.917 7.658 1492 HB2 LYS 92 HB1 LYS 92 22.490 -3.387 6.060 1493 HB3 LYS 92 HB2 LYS 92 22.864 -5.115 6.272 1494 HG2 LYS 92 HG1 LYS 92 20.885 -5.532 7.451 1495 HG3 LYS 92 HG2 LYS 92 20.704 -3.834 7.953 1496 HD2 LYS 92 HD1 LYS 92 20.540 -4.801 5.091 1497 HD3 LYS 92 HD2 LYS 92 19.127 -4.577 6.148 1498 HE2 LYS 92 HE1 LYS 92 20.980 -2.468 5.012 1499 HE3 LYS 92 HE2 LYS 92 19.229 -2.650 4.769 1500 HZ1 LYS 92 HZ1 LYS 92 19.733 -0.894 6.300 1501 HZ2 LYS 92 HZ2 LYS 92 18.915 -2.100 7.069 1502 HZ3 LYS 92 HZ3 LYS 92 20.540 -1.930 7.297 Start of MODEL 7 1 HA MET 1 HA MET 1 8.176 1.551 23.785 2 HB2 MET 1 HB1 MET 1 7.034 3.339 21.612 3 HB3 MET 1 HB2 MET 1 6.990 1.560 21.653 4 HG2 MET 1 HG1 MET 1 5.541 3.525 23.442 5 HG3 MET 1 HG2 MET 1 4.848 2.288 22.379 6 HE1 MET 1 HE1 MET 1 3.612 0.521 25.497 7 HE2 MET 1 HE2 MET 1 3.407 2.184 24.905 8 HE3 MET 1 HE3 MET 1 3.372 0.821 23.761 9 H GLU 2 H GLU 2 9.073 1.932 20.519 10 HA GLU 2 HA GLU 2 11.256 3.844 21.043 11 HB2 GLU 2 HB1 GLU 2 10.842 2.180 19.057 12 HB3 GLU 2 HB2 GLU 2 9.861 3.515 18.410 13 HG2 GLU 2 HG1 GLU 2 12.702 4.021 19.257 14 HG3 GLU 2 HG2 GLU 2 12.367 3.234 17.699 15 H THR 3 H THR 3 9.684 5.628 18.806 16 HA THR 3 HA THR 3 7.914 7.087 20.703 17 HB THR 3 HB THR 3 8.078 8.902 19.175 18 HG1 THR 3 HG1 THR 3 9.016 8.535 17.129 19 HG21 THR 3 HG21 THR 3 10.487 9.308 18.857 20 HG22 THR 3 HG22 THR 3 10.141 8.653 20.472 21 HG23 THR 3 HG23 THR 3 10.814 7.597 19.208 22 HA PRO 4 HA PRO 4 4.389 5.634 18.314 23 HB2 PRO 4 HB1 PRO 4 2.775 7.623 17.448 24 HB3 PRO 4 HB2 PRO 4 3.109 7.373 19.193 25 HG2 PRO 4 HG1 PRO 4 4.378 9.366 17.323 26 HG3 PRO 4 HG2 PRO 4 3.780 9.638 18.993 27 HD2 PRO 4 HD1 PRO 4 6.439 9.119 18.304 28 HD3 PRO 4 HD2 PRO 4 5.726 8.746 19.905 29 H LEU 5 H LEU 5 6.284 7.942 16.309 30 HA LEU 5 HA LEU 5 4.933 7.362 13.860 31 HB2 LEU 5 HB1 LEU 5 6.156 9.421 14.262 32 HB3 LEU 5 HB2 LEU 5 7.681 8.515 14.397 33 HG LEU 5 HG LEU 5 7.590 7.908 12.049 34 HD11 LEU 5 HD11 LEU 5 5.854 8.782 10.510 35 HD12 LEU 5 HD12 LEU 5 5.148 7.706 11.735 36 HD13 LEU 5 HD13 LEU 5 4.979 9.470 11.895 37 HD21 LEU 5 HD21 LEU 5 7.847 10.181 11.083 38 HD22 LEU 5 HD22 LEU 5 7.005 10.873 12.489 39 HD23 LEU 5 HD23 LEU 5 8.585 10.082 12.700 40 H GLU 6 H GLU 6 7.988 5.961 15.212 41 HA GLU 6 HA GLU 6 8.515 4.029 13.250 42 HB2 GLU 6 HB1 GLU 6 9.967 4.394 15.047 43 HB3 GLU 6 HB2 GLU 6 8.692 4.066 16.246 44 HG2 GLU 6 HG1 GLU 6 10.803 2.468 15.566 45 HG3 GLU 6 HG2 GLU 6 9.376 2.034 16.531 46 H LYS 7 H LYS 7 5.814 3.996 15.694 47 HA LYS 7 HA LYS 7 5.243 1.252 15.108 48 HB2 LYS 7 HB1 LYS 7 3.303 3.199 16.295 49 HB3 LYS 7 HB2 LYS 7 3.307 1.424 16.420 50 HG2 LYS 7 HG1 LYS 7 4.936 3.466 17.866 51 HG3 LYS 7 HG2 LYS 7 4.090 2.026 18.480 52 HD2 LYS 7 HD1 LYS 7 6.785 2.115 17.104 53 HD3 LYS 7 HD2 LYS 7 6.457 1.793 18.824 54 HE2 LYS 7 HE1 LYS 7 5.584 -0.348 18.378 55 HE3 LYS 7 HE2 LYS 7 5.352 0.005 16.653 56 HZ1 LYS 7 HZ1 LYS 7 7.251 -1.403 17.023 57 HZ2 LYS 7 HZ2 LYS 7 7.734 0.046 16.404 58 HZ3 LYS 7 HZ3 LYS 7 7.952 -0.280 18.006 59 H ALA 8 H ALA 8 4.443 4.125 13.307 60 HA ALA 8 HA ALA 8 2.603 2.851 11.518 61 HB1 ALA 8 HB1 ALA 8 3.236 4.679 9.983 62 HB2 ALA 8 HB2 ALA 8 2.931 5.289 11.626 63 HB3 ALA 8 HB3 ALA 8 4.602 5.096 11.045 64 H LEU 9 H LEU 9 6.212 3.167 11.419 65 HA LEU 9 HA LEU 9 6.530 1.694 8.997 66 HB2 LEU 9 HB1 LEU 9 8.386 2.413 11.258 67 HB3 LEU 9 HB2 LEU 9 8.916 1.401 9.893 68 HG LEU 9 HG LEU 9 9.657 3.634 9.550 69 HD11 LEU 9 HD11 LEU 9 8.678 4.162 7.343 70 HD12 LEU 9 HD12 LEU 9 8.950 2.418 7.544 71 HD13 LEU 9 HD13 LEU 9 7.309 3.090 7.702 72 HD21 LEU 9 HD21 LEU 9 8.178 5.596 9.330 73 HD22 LEU 9 HD22 LEU 9 6.785 4.583 9.761 74 HD23 LEU 9 HD23 LEU 9 8.079 4.873 10.948 75 H THR 10 H THR 10 6.588 0.612 12.472 76 HA THR 10 HA THR 10 7.091 -2.106 12.034 77 HB THR 10 HB THR 10 4.856 -1.554 13.902 78 HG1 THR 10 HG1 THR 10 6.273 -0.702 15.441 79 HG21 THR 10 HG21 THR 10 6.181 -3.063 15.330 80 HG22 THR 10 HG22 THR 10 5.926 -3.753 13.711 81 HG23 THR 10 HG23 THR 10 7.498 -3.033 14.134 82 H THR 11 H THR 11 3.897 -0.435 12.063 83 HA THR 11 HA THR 11 2.264 -2.646 11.474 84 HB THR 11 HB THR 11 1.951 0.261 10.652 85 HG1 THR 11 HG1 THR 11 0.657 0.265 12.555 86 HG21 THR 11 HG21 THR 11 -0.483 -0.222 10.566 87 HG22 THR 11 HG22 THR 11 0.407 -1.196 9.378 88 HG23 THR 11 HG23 THR 11 -0.149 -1.934 10.899 89 H MET 12 H MET 12 4.006 -0.437 9.290 90 HA MET 12 HA MET 12 3.128 -1.498 6.816 91 HB2 MET 12 HB1 MET 12 4.442 0.684 7.693 92 HB3 MET 12 HB2 MET 12 5.837 -0.275 7.143 93 HG2 MET 12 HG1 MET 12 5.232 1.044 5.304 94 HG3 MET 12 HG2 MET 12 4.593 -0.571 4.953 95 HE1 MET 12 HE1 MET 12 2.330 3.358 5.453 96 HE2 MET 12 HE2 MET 12 3.636 2.914 6.577 97 HE3 MET 12 HE3 MET 12 3.975 3.072 4.836 98 H VAL 13 H VAL 13 6.213 -2.219 8.662 99 HA VAL 13 HA VAL 13 6.945 -4.213 6.727 100 HB VAL 13 HB VAL 13 8.671 -4.988 8.264 101 HG11 VAL 13 HG11 VAL 13 10.043 -2.930 8.251 102 HG12 VAL 13 HG12 VAL 13 9.121 -3.114 6.744 103 HG13 VAL 13 HG13 VAL 13 8.576 -1.963 7.988 104 HG21 VAL 13 HG21 VAL 13 9.165 -3.834 10.389 105 HG22 VAL 13 HG22 VAL 13 7.671 -2.890 10.213 106 HG23 VAL 13 HG23 VAL 13 7.593 -4.655 10.433 107 H THR 14 H THR 14 4.895 -4.384 9.593 108 HA THR 14 HA THR 14 5.056 -7.245 9.942 109 HB THR 14 HB THR 14 2.858 -5.342 10.824 110 HG1 THR 14 HG1 THR 14 4.083 -5.375 12.773 111 HG21 THR 14 HG21 THR 14 2.459 -7.027 12.605 112 HG22 THR 14 HG22 THR 14 2.225 -7.734 10.992 113 HG23 THR 14 HG23 THR 14 3.720 -8.061 11.901 114 H THR 15 H THR 15 2.625 -5.084 8.416 115 HA THR 15 HA THR 15 1.073 -7.168 7.234 116 HB THR 15 HB THR 15 0.338 -5.280 5.655 117 HG1 THR 15 HG1 THR 15 0.895 -3.206 6.443 118 HG21 THR 15 HG21 THR 15 -1.022 -4.252 7.435 119 HG22 THR 15 HG22 THR 15 -0.921 -6.017 7.631 120 HG23 THR 15 HG23 THR 15 0.061 -4.950 8.662 121 H PHE 16 H PHE 16 3.900 -5.300 6.003 122 HA PHE 16 HA PHE 16 3.912 -6.433 3.405 123 HB2 PHE 16 HB1 PHE 16 5.283 -4.530 4.181 124 HB3 PHE 16 HB2 PHE 16 6.252 -5.649 5.153 125 HD1 PHE 16 HD2 PHE 16 5.185 -6.520 1.679 126 HD2 PHE 16 HD1 PHE 16 8.325 -4.990 4.204 127 HE1 PHE 16 HE2 PHE 16 6.805 -6.694 -0.196 128 HE2 PHE 16 HE1 PHE 16 9.909 -5.089 2.295 129 HZ PHE 16 HZ PHE 16 9.120 -5.865 0.067 130 H HIS 17 H HIS 17 5.429 -7.679 6.475 131 HA HIS 17 HA HIS 17 6.536 -9.967 5.226 132 HB2 HIS 17 HB1 HIS 17 7.106 -8.826 7.469 133 HB3 HIS 17 HB2 HIS 17 5.861 -9.889 8.148 134 HD1 HIS 17 HD1 HIS 17 6.535 -12.605 6.734 135 HD2 HIS 17 HD2 HIS 17 9.383 -9.888 8.182 136 HE1 HIS 17 HE1 HIS 17 8.671 -13.942 7.133 137 HE2 HIS 17 HE2 HIS 17 10.438 -12.301 8.010 138 H LYS 18 H LYS 18 3.219 -9.446 6.088 139 HA LYS 18 HA LYS 18 2.374 -12.184 6.169 140 HB2 LYS 18 HB1 LYS 18 1.223 -10.018 6.887 141 HB3 LYS 18 HB2 LYS 18 0.812 -9.798 5.169 142 HG2 LYS 18 HG1 LYS 18 -0.464 -11.916 5.212 143 HG3 LYS 18 HG2 LYS 18 -0.068 -12.113 6.936 144 HD2 LYS 18 HD1 LYS 18 -1.107 -9.829 7.335 145 HD3 LYS 18 HD2 LYS 18 -1.669 -9.862 5.646 146 HE2 LYS 18 HE1 LYS 18 -2.954 -11.930 6.129 147 HE3 LYS 18 HE2 LYS 18 -2.413 -11.863 7.820 148 HZ1 LYS 18 HZ1 LYS 18 -4.570 -10.879 7.538 149 HZ2 LYS 18 HZ2 LYS 18 -3.484 -9.731 8.011 150 HZ3 LYS 18 HZ3 LYS 18 -3.987 -9.793 6.443 151 H TYR 19 H TYR 19 3.870 -10.579 3.624 152 HA TYR 19 HA TYR 19 2.831 -12.422 1.565 153 HB2 TYR 19 HB1 TYR 19 2.980 -9.397 1.315 154 HB3 TYR 19 HB2 TYR 19 2.621 -10.514 -0.012 155 HD1 TYR 19 HD2 TYR 19 1.325 -8.937 3.068 156 HD2 TYR 19 HD1 TYR 19 0.416 -11.611 -0.181 157 HE1 TYR 19 HE2 TYR 19 -1.076 -8.879 3.690 158 HE2 TYR 19 HE1 TYR 19 -1.998 -11.498 0.390 159 HH TYR 19 HH TYR 19 -3.180 -9.566 3.196 160 H SER 20 H SER 20 5.305 -9.917 2.384 161 HA SER 20 HA SER 20 7.342 -11.330 0.804 162 HB2 SER 20 HB1 SER 20 8.818 -9.559 1.546 163 HB3 SER 20 HB2 SER 20 7.279 -8.833 1.018 164 HG SER 20 HG SER 20 8.052 -7.946 2.990 165 H GLY 21 H GLY 21 7.697 -13.404 1.767 166 HA2 GLY 21 HA2 GLY 21 8.655 -14.527 2.787 167 H ARG 22 H ARG 22 6.254 -14.706 2.946 168 HA ARG 22 HA ARG 22 5.827 -16.623 5.066 169 HB2 ARG 22 HB1 ARG 22 4.659 -16.405 2.281 170 HB3 ARG 22 HB2 ARG 22 4.103 -17.539 3.536 171 HG2 ARG 22 HG1 ARG 22 3.417 -15.538 4.905 172 HG3 ARG 22 HG2 ARG 22 3.770 -14.533 3.479 173 HD2 ARG 22 HD1 ARG 22 1.729 -16.785 3.728 174 HD3 ARG 22 HD2 ARG 22 1.420 -15.072 3.365 175 HE ARG 22 HE ARG 22 2.463 -17.139 1.535 176 HH11 ARG 22 HH12 ARG 22 0.938 -13.965 1.760 177 HH12 ARG 22 HH11 ARG 22 1.164 -13.641 0.064 178 HH21 ARG 22 HH22 ARG 22 2.966 -16.523 -0.557 179 HH22 ARG 22 HH21 ARG 22 2.283 -15.054 -1.209 180 H GLU 23 H GLU 23 6.030 -17.414 1.585 181 HA GLU 23 HA GLU 23 7.425 -19.913 2.114 182 HB2 GLU 23 HB1 GLU 23 6.636 -18.623 -0.520 183 HB3 GLU 23 HB2 GLU 23 7.143 -20.311 -0.274 184 HG2 GLU 23 HG1 GLU 23 4.801 -20.387 -0.544 185 HG3 GLU 23 HG2 GLU 23 5.082 -20.576 1.200 186 H GLY 24 H GLY 24 8.253 -16.690 0.943 187 HA2 GLY 24 HA2 GLY 24 10.330 -16.602 1.711 188 H SER 25 H SER 25 12.348 -15.174 0.716 189 HA SER 25 HA SER 25 12.869 -13.033 0.293 190 HB2 SER 25 HB1 SER 25 10.225 -13.048 -1.195 191 HB3 SER 25 HB2 SER 25 11.362 -11.677 -1.216 192 HG SER 25 HG SER 25 11.661 -13.108 -2.989 193 H LYS 26 H LYS 26 12.835 -12.245 2.581 194 HA LYS 26 HA LYS 26 10.195 -11.438 3.532 195 HB2 LYS 26 HB1 LYS 26 11.280 -11.118 5.723 196 HB3 LYS 26 HB2 LYS 26 11.339 -12.757 5.032 197 HG2 LYS 26 HG1 LYS 26 13.697 -12.492 4.493 198 HG3 LYS 26 HG2 LYS 26 13.666 -10.796 5.032 199 HD2 LYS 26 HD1 LYS 26 12.811 -11.679 7.287 200 HD3 LYS 26 HD2 LYS 26 13.239 -13.304 6.704 201 HE2 LYS 26 HE1 LYS 26 15.179 -10.988 6.967 202 HE3 LYS 26 HE2 LYS 26 14.961 -12.275 8.174 203 HZ1 LYS 26 HZ1 LYS 26 16.838 -12.681 6.771 204 HZ2 LYS 26 HZ2 LYS 26 15.692 -13.840 6.544 205 HZ3 LYS 26 HZ3 LYS 26 15.893 -12.647 5.424 206 H LEU 27 H LEU 27 11.331 -9.871 1.424 207 HA LEU 27 HA LEU 27 10.989 -7.187 2.394 208 HB2 LEU 27 HB1 LEU 27 13.239 -6.365 1.796 209 HB3 LEU 27 HB2 LEU 27 13.262 -7.525 3.148 210 HG LEU 27 HG LEU 27 13.646 -8.723 0.460 211 HD11 LEU 27 HD11 LEU 27 15.999 -7.996 0.265 212 HD12 LEU 27 HD12 LEU 27 14.883 -6.615 0.159 213 HD13 LEU 27 HD13 LEU 27 15.781 -6.918 1.664 214 HD21 LEU 27 HD21 LEU 27 15.385 -10.000 1.666 215 HD22 LEU 27 HD22 LEU 27 15.161 -8.959 3.092 216 HD23 LEU 27 HD23 LEU 27 13.839 -10.020 2.547 217 H THR 28 H THR 28 10.552 -9.329 -0.050 218 HA THR 28 HA THR 28 9.837 -7.105 -1.854 219 HB THR 28 HB THR 28 10.434 -8.441 -3.846 220 HG1 THR 28 HG1 THR 28 11.860 -10.199 -3.516 221 HG21 THR 28 HG21 THR 28 12.881 -8.094 -3.814 222 HG22 THR 28 HG22 THR 28 12.019 -6.713 -3.104 223 HG23 THR 28 HG23 THR 28 12.822 -7.900 -2.050 224 H LEU 29 H LEU 29 8.223 -7.828 -3.476 225 HA LEU 29 HA LEU 29 6.949 -10.399 -3.239 226 HB2 LEU 29 HB1 LEU 29 4.892 -9.908 -2.400 227 HB3 LEU 29 HB2 LEU 29 5.988 -8.978 -1.350 228 HG LEU 29 HG LEU 29 4.264 -7.845 -3.563 229 HD11 LEU 29 HD11 LEU 29 2.892 -6.963 -1.682 230 HD12 LEU 29 HD12 LEU 29 2.991 -8.737 -1.630 231 HD13 LEU 29 HD13 LEU 29 3.982 -7.756 -0.522 232 HD21 LEU 29 HD21 LEU 29 4.709 -5.603 -2.604 233 HD22 LEU 29 HD22 LEU 29 5.822 -6.337 -1.436 234 HD23 LEU 29 HD23 LEU 29 6.199 -6.375 -3.175 235 H SER 30 H SER 30 4.932 -10.423 -4.893 236 HA SER 30 HA SER 30 5.956 -9.121 -7.329 237 HB2 SER 30 HB1 SER 30 4.398 -10.563 -8.519 238 HB3 SER 30 HB2 SER 30 5.355 -11.513 -7.357 239 HG SER 30 HG SER 30 3.115 -12.027 -7.297 240 H ARG 31 H ARG 31 4.476 -7.997 -8.861 241 HA ARG 31 HA ARG 31 3.047 -5.901 -7.598 242 HB2 ARG 31 HB1 ARG 31 2.496 -6.701 -10.439 243 HB3 ARG 31 HB2 ARG 31 2.528 -5.080 -9.705 244 HG2 ARG 31 HG1 ARG 31 5.108 -5.709 -9.369 245 HG3 ARG 31 HG2 ARG 31 4.764 -6.746 -10.775 246 HD2 ARG 31 HD1 ARG 31 5.529 -4.649 -11.637 247 HD3 ARG 31 HD2 ARG 31 3.774 -4.706 -11.909 248 HE ARG 31 HE ARG 31 3.444 -3.093 -10.233 249 HH11 ARG 31 HH12 ARG 31 6.940 -3.396 -10.832 250 HH12 ARG 31 HH11 ARG 31 7.296 -1.978 -9.890 251 HH21 ARG 31 HH22 ARG 31 4.020 -1.389 -8.960 252 HH22 ARG 31 HH21 ARG 31 5.687 -0.877 -8.861 253 H LYS 32 H LYS 32 1.804 -8.937 -9.104 254 HA LYS 32 HA LYS 32 -0.950 -8.539 -8.661 255 HB2 LYS 32 HB1 LYS 32 0.771 -11.034 -8.464 256 HB3 LYS 32 HB2 LYS 32 -1.008 -11.057 -8.408 257 HG2 LYS 32 HG1 LYS 32 0.421 -9.806 -10.734 258 HG3 LYS 32 HG2 LYS 32 0.253 -11.575 -10.628 259 HD2 LYS 32 HD1 LYS 32 -2.226 -11.316 -10.580 260 HD3 LYS 32 HD2 LYS 32 -2.029 -9.556 -10.754 261 HE2 LYS 32 HE1 LYS 32 -0.818 -9.844 -12.851 262 HE3 LYS 32 HE2 LYS 32 -0.824 -11.610 -12.653 263 HZ1 LYS 32 HZ1 LYS 32 -2.426 -10.889 -14.254 264 HZ2 LYS 32 HZ2 LYS 32 -3.177 -11.572 -12.960 265 HZ3 LYS 32 HZ3 LYS 32 -3.170 -9.934 -13.142 266 H GLU 33 H GLU 33 1.573 -9.624 -6.370 267 HA GLU 33 HA GLU 33 -0.219 -10.353 -4.240 268 HB2 GLU 33 HB1 GLU 33 2.122 -11.232 -4.749 269 HB3 GLU 33 HB2 GLU 33 2.737 -9.720 -4.042 270 HG2 GLU 33 HG1 GLU 33 2.882 -11.144 -2.244 271 HG3 GLU 33 HG2 GLU 33 1.280 -10.423 -1.980 272 H LEU 34 H LEU 34 1.968 -7.471 -4.678 273 HA LEU 34 HA LEU 34 1.343 -5.945 -2.453 274 HB2 LEU 34 HB1 LEU 34 2.944 -5.132 -3.975 275 HB3 LEU 34 HB2 LEU 34 1.839 -5.291 -5.362 276 HG LEU 34 HG LEU 34 0.534 -3.366 -4.501 277 HD11 LEU 34 HD11 LEU 34 1.496 -1.917 -2.742 278 HD12 LEU 34 HD12 LEU 34 1.129 -3.539 -2.117 279 HD13 LEU 34 HD13 LEU 34 2.808 -3.090 -2.500 280 HD21 LEU 34 HD21 LEU 34 2.162 -1.596 -5.100 281 HD22 LEU 34 HD22 LEU 34 3.491 -2.759 -4.903 282 HD23 LEU 34 HD23 LEU 34 2.288 -2.990 -6.194 283 H LYS 35 H LYS 35 -0.487 -6.092 -5.509 284 HA LYS 35 HA LYS 35 -2.543 -4.273 -4.876 285 HB2 LYS 35 HB1 LYS 35 -1.801 -5.211 -7.068 286 HB3 LYS 35 HB2 LYS 35 -2.565 -6.758 -6.623 287 HG2 LYS 35 HG1 LYS 35 -4.137 -4.204 -6.767 288 HG3 LYS 35 HG2 LYS 35 -3.789 -5.174 -8.219 289 HD2 LYS 35 HD1 LYS 35 -5.232 -6.238 -5.775 290 HD3 LYS 35 HD2 LYS 35 -6.051 -5.540 -7.194 291 HE2 LYS 35 HE1 LYS 35 -6.163 -7.762 -7.705 292 HE3 LYS 35 HE2 LYS 35 -4.636 -7.325 -8.503 293 HZ1 LYS 35 HZ1 LYS 35 -4.447 -9.376 -7.284 294 HZ2 LYS 35 HZ2 LYS 35 -3.470 -8.228 -6.623 295 HZ3 LYS 35 HZ3 LYS 35 -4.886 -8.634 -5.883 296 H GLU 36 H GLU 36 -2.177 -7.687 -4.008 297 HA GLU 36 HA GLU 36 -4.920 -8.017 -3.101 298 HB2 GLU 36 HB1 GLU 36 -3.279 -9.690 -4.287 299 HB3 GLU 36 HB2 GLU 36 -2.649 -9.953 -2.644 300 HG2 GLU 36 HG1 GLU 36 -4.368 -11.613 -3.192 301 HG3 GLU 36 HG2 GLU 36 -4.908 -10.555 -1.869 302 H LEU 37 H LEU 37 -1.699 -7.805 -1.550 303 HA LEU 37 HA LEU 37 -2.337 -7.841 1.161 304 HB2 LEU 37 HB1 LEU 37 -0.115 -7.762 0.575 305 HB3 LEU 37 HB2 LEU 37 -0.366 -6.480 -0.633 306 HG LEU 37 HG LEU 37 -0.381 -4.795 1.060 307 HD11 LEU 37 HD11 LEU 37 0.097 -5.225 3.442 308 HD12 LEU 37 HD12 LEU 37 -1.443 -5.954 2.941 309 HD13 LEU 37 HD13 LEU 37 0.005 -6.971 3.136 310 HD21 LEU 37 HD21 LEU 37 1.972 -5.055 1.816 311 HD22 LEU 37 HD22 LEU 37 1.894 -6.796 1.455 312 HD23 LEU 37 HD23 LEU 37 1.772 -5.606 0.136 313 H ILE 38 H ILE 38 -2.445 -4.951 -1.024 314 HA ILE 38 HA ILE 38 -3.641 -3.281 0.961 315 HB ILE 38 HB ILE 38 -3.507 -3.054 -2.058 316 HG12 ILE 38 HG13 ILE 38 -1.936 -1.770 0.221 317 HG13 ILE 38 HG12 ILE 38 -1.362 -3.101 -0.812 318 HG21 ILE 38 HG21 ILE 38 -4.078 -0.663 -1.761 319 HG22 ILE 38 HG22 ILE 38 -5.408 -1.715 -1.229 320 HG23 ILE 38 HG23 ILE 38 -4.349 -0.943 -0.025 321 HD11 ILE 38 HD11 ILE 38 -0.377 -0.945 -1.510 322 HD12 ILE 38 HD12 ILE 38 -1.433 -1.613 -2.771 323 HD13 ILE 38 HD13 ILE 38 -2.009 -0.282 -1.739 324 H LYS 39 H LYS 39 -5.147 -5.425 -1.485 325 HA LYS 39 HA LYS 39 -7.828 -4.535 -0.972 326 HB2 LYS 39 HB1 LYS 39 -6.446 -6.703 -2.495 327 HB3 LYS 39 HB2 LYS 39 -8.175 -6.929 -2.134 328 HG2 LYS 39 HG1 LYS 39 -7.144 -4.382 -3.404 329 HG3 LYS 39 HG2 LYS 39 -7.536 -5.820 -4.378 330 HD2 LYS 39 HD1 LYS 39 -9.838 -5.809 -3.422 331 HD3 LYS 39 HD2 LYS 39 -9.437 -4.330 -2.519 332 HE2 LYS 39 HE1 LYS 39 -9.060 -3.107 -4.591 333 HE3 LYS 39 HE2 LYS 39 -9.274 -4.587 -5.550 334 HZ1 LYS 39 HZ1 LYS 39 -11.248 -3.246 -5.533 335 HZ2 LYS 39 HZ2 LYS 39 -11.535 -4.684 -4.779 336 HZ3 LYS 39 HZ3 LYS 39 -11.337 -3.309 -3.889 337 H LYS 40 H LYS 40 -5.824 -6.544 0.977 338 HA LYS 40 HA LYS 40 -8.185 -7.682 2.380 339 HB2 LYS 40 HB1 LYS 40 -5.345 -8.485 1.938 340 HB3 LYS 40 HB2 LYS 40 -6.028 -8.853 3.541 341 HG2 LYS 40 HG1 LYS 40 -6.222 -10.726 1.972 342 HG3 LYS 40 HG2 LYS 40 -7.801 -10.138 2.546 343 HD2 LYS 40 HD1 LYS 40 -8.195 -9.028 0.399 344 HD3 LYS 40 HD2 LYS 40 -6.587 -9.529 -0.176 345 HE2 LYS 40 HE1 LYS 40 -7.169 -11.869 0.009 346 HE3 LYS 40 HE2 LYS 40 -8.689 -11.480 0.843 347 HZ1 LYS 40 HZ1 LYS 40 -9.046 -11.994 -1.460 348 HZ2 LYS 40 HZ2 LYS 40 -9.445 -10.422 -1.163 349 HZ3 LYS 40 HZ3 LYS 40 -8.034 -10.783 -1.938 350 H GLU 41 H GLU 41 -5.180 -5.755 2.950 351 HA GLU 41 HA GLU 41 -5.818 -5.671 5.815 352 HB2 GLU 41 HB1 GLU 41 -3.428 -4.499 4.388 353 HB3 GLU 41 HB2 GLU 41 -3.618 -4.787 6.134 354 HG2 GLU 41 HG1 GLU 41 -3.414 -6.910 3.976 355 HG3 GLU 41 HG2 GLU 41 -2.131 -6.435 5.109 356 H LEU 42 H LEU 42 -6.132 -3.459 3.052 357 HA LEU 42 HA LEU 42 -7.544 -1.622 4.904 358 HB2 LEU 42 HB1 LEU 42 -6.382 -1.491 2.209 359 HB3 LEU 42 HB2 LEU 42 -8.040 -0.846 2.278 360 HG LEU 42 HG LEU 42 -6.322 0.874 2.526 361 HD11 LEU 42 HD11 LEU 42 -7.301 2.019 4.478 362 HD12 LEU 42 HD12 LEU 42 -8.541 1.211 3.497 363 HD13 LEU 42 HD13 LEU 42 -7.998 0.478 5.025 364 HD21 LEU 42 HD21 LEU 42 -4.961 1.086 4.567 365 HD22 LEU 42 HD22 LEU 42 -5.569 -0.486 5.125 366 HD23 LEU 42 HD23 LEU 42 -4.567 -0.388 3.658 367 H CYS 43 H CYS 43 -9.775 -1.090 4.362 368 HA CYS 43 HA CYS 43 -11.324 -3.253 3.027 369 HB2 CYS 43 HB1 CYS 43 -11.607 -3.338 5.461 370 HB3 CYS 43 HB2 CYS 43 -12.130 -1.635 5.465 371 HG CYS 43 HG CYS 43 -14.204 -3.204 5.767 372 H LEU 44 H LEU 44 -12.108 0.138 4.143 373 HA LEU 44 HA LEU 44 -13.567 0.690 1.756 374 HB2 LEU 44 HB1 LEU 44 -13.688 2.974 2.632 375 HB3 LEU 44 HB2 LEU 44 -14.103 1.731 3.835 376 HG LEU 44 HG LEU 44 -11.975 2.031 4.925 377 HD11 LEU 44 HD11 LEU 44 -10.417 3.888 4.495 378 HD12 LEU 44 HD12 LEU 44 -10.490 2.750 3.139 379 HD13 LEU 44 HD13 LEU 44 -11.343 4.310 3.044 380 HD21 LEU 44 HD21 LEU 44 -12.430 4.243 5.922 381 HD22 LEU 44 HD22 LEU 44 -13.458 4.650 4.531 382 HD23 LEU 44 HD23 LEU 44 -13.925 3.329 5.630 383 H GLY 45 H GLY 45 -10.559 0.039 1.348 384 HA2 GLY 45 HA2 GLY 45 -9.935 2.477 0.549 385 H GLU 46 H GLU 46 -11.271 2.382 -0.991 386 HA GLU 46 HA GLU 46 -9.722 2.902 -3.384 387 HB2 GLU 46 HB1 GLU 46 -10.735 1.220 -4.786 388 HB3 GLU 46 HB2 GLU 46 -9.957 0.434 -3.392 389 HG2 GLU 46 HG1 GLU 46 -12.254 0.346 -2.298 390 HG3 GLU 46 HG2 GLU 46 -12.932 0.875 -3.853 391 H MET 47 H MET 47 -11.969 4.195 -1.543 392 HA MET 47 HA MET 47 -14.412 3.987 -2.966 393 HB2 MET 47 HB1 MET 47 -15.277 5.556 -1.358 394 HB3 MET 47 HB2 MET 47 -14.171 4.416 -0.552 395 HG2 MET 47 HG1 MET 47 -12.379 6.124 -0.660 396 HG3 MET 47 HG2 MET 47 -13.526 7.259 -1.391 397 HE1 MET 47 HE1 MET 47 -13.676 5.734 2.998 398 HE2 MET 47 HE2 MET 47 -13.994 4.676 1.606 399 HE3 MET 47 HE3 MET 47 -12.373 5.374 1.845 400 H LYS 48 H LYS 48 -11.898 5.798 -4.140 401 HA LYS 48 HA LYS 48 -13.505 8.095 -5.043 402 HB2 LYS 48 HB1 LYS 48 -10.568 7.363 -5.145 403 HB3 LYS 48 HB2 LYS 48 -11.227 8.759 -6.031 404 HG2 LYS 48 HG1 LYS 48 -11.503 8.362 -3.045 405 HG3 LYS 48 HG2 LYS 48 -10.180 9.276 -3.809 406 HD2 LYS 48 HD1 LYS 48 -13.099 10.002 -4.166 407 HD3 LYS 48 HD2 LYS 48 -12.095 10.638 -2.842 408 HE2 LYS 48 HE1 LYS 48 -11.066 10.879 -5.647 409 HE3 LYS 48 HE2 LYS 48 -12.389 11.952 -5.141 410 HZ1 LYS 48 HZ1 LYS 48 -10.246 12.947 -4.770 411 HZ2 LYS 48 HZ2 LYS 48 -11.010 12.694 -3.332 412 HZ3 LYS 48 HZ3 LYS 48 -9.782 11.698 -3.801 413 H GLU 49 H GLU 49 -14.230 8.439 -7.080 414 HA GLU 49 HA GLU 49 -13.996 6.525 -9.203 415 HB2 GLU 49 HB1 GLU 49 -14.696 9.485 -9.206 416 HB3 GLU 49 HB2 GLU 49 -14.868 8.405 -10.610 417 HG2 GLU 49 HG1 GLU 49 -16.537 7.075 -9.462 418 HG3 GLU 49 HG2 GLU 49 -16.264 7.954 -7.941 419 H SER 50 H SER 50 -12.377 6.191 -10.606 420 HA SER 50 HA SER 50 -10.682 6.461 -12.037 421 HB2 SER 50 HB1 SER 50 -10.140 9.315 -11.307 422 HB3 SER 50 HB2 SER 50 -9.971 8.483 -12.872 423 HG SER 50 HG SER 50 -11.735 9.944 -12.827 424 H SER 51 H SER 51 -8.356 6.539 -12.118 425 HA SER 51 HA SER 51 -6.276 6.263 -11.414 426 HB2 SER 51 HB1 SER 51 -5.271 7.561 -9.687 427 HB3 SER 51 HB2 SER 51 -6.415 8.566 -10.607 428 HG SER 51 HG SER 51 -6.529 8.932 -8.347 429 H ILE 52 H ILE 52 -8.565 5.555 -8.688 430 HA ILE 52 HA ILE 52 -6.935 3.563 -7.506 431 HB ILE 52 HB ILE 52 -8.851 2.707 -6.439 432 HG12 ILE 52 HG13 ILE 52 -11.167 3.828 -7.012 433 HG13 ILE 52 HG12 ILE 52 -10.471 3.905 -8.650 434 HG21 ILE 52 HG21 ILE 52 -9.824 4.773 -5.459 435 HG22 ILE 52 HG22 ILE 52 -8.074 4.937 -5.718 436 HG23 ILE 52 HG23 ILE 52 -9.216 5.706 -6.845 437 HD11 ILE 52 HD11 ILE 52 -11.880 1.882 -8.375 438 HD12 ILE 52 HD12 ILE 52 -10.177 1.458 -8.642 439 HD13 ILE 52 HD13 ILE 52 -10.870 1.377 -7.005 440 H ASP 53 H ASP 53 -8.997 3.475 -10.351 441 HA ASP 53 HA ASP 53 -8.728 0.620 -10.818 442 HB2 ASP 53 HB1 ASP 53 -10.715 2.046 -11.432 443 HB3 ASP 53 HB2 ASP 53 -9.704 2.829 -12.666 444 H ASP 54 H ASP 54 -7.061 3.591 -11.982 445 HA ASP 54 HA ASP 54 -5.419 2.254 -13.896 446 HB2 ASP 54 HB1 ASP 54 -5.471 4.708 -13.767 447 HB3 ASP 54 HB2 ASP 54 -4.724 4.651 -12.156 448 H LEU 55 H LEU 55 -5.015 2.793 -10.353 449 HA LEU 55 HA LEU 55 -2.389 1.590 -10.297 450 HB2 LEU 55 HB1 LEU 55 -4.296 2.500 -8.119 451 HB3 LEU 55 HB2 LEU 55 -2.612 1.990 -7.851 452 HG LEU 55 HG LEU 55 -3.420 4.261 -9.694 453 HD11 LEU 55 HD11 LEU 55 -2.710 5.792 -7.883 454 HD12 LEU 55 HD12 LEU 55 -4.079 4.777 -7.374 455 HD13 LEU 55 HD13 LEU 55 -2.432 4.396 -6.815 456 HD21 LEU 55 HD21 LEU 55 -1.039 4.923 -9.533 457 HD22 LEU 55 HD22 LEU 55 -0.723 3.518 -8.493 458 HD23 LEU 55 HD23 LEU 55 -1.213 3.281 -10.188 459 H MET 56 H MET 56 -5.673 0.426 -9.441 460 HA MET 56 HA MET 56 -5.003 -2.233 -8.784 461 HB2 MET 56 HB1 MET 56 -7.303 -0.975 -10.286 462 HB3 MET 56 HB2 MET 56 -7.195 -2.741 -10.095 463 HG2 MET 56 HG1 MET 56 -6.991 -0.937 -7.698 464 HG3 MET 56 HG2 MET 56 -8.575 -1.307 -8.398 465 HE1 MET 56 HE1 MET 56 -6.227 -3.727 -5.440 466 HE2 MET 56 HE2 MET 56 -5.382 -2.694 -6.618 467 HE3 MET 56 HE3 MET 56 -6.607 -1.991 -5.534 468 H LYS 57 H LYS 57 -5.431 -0.777 -12.085 469 HA LYS 57 HA LYS 57 -4.958 -3.369 -13.303 470 HB2 LYS 57 HB1 LYS 57 -6.639 -1.708 -14.088 471 HB3 LYS 57 HB2 LYS 57 -5.304 -0.643 -14.590 472 HG2 LYS 57 HG1 LYS 57 -6.362 -1.981 -16.455 473 HG3 LYS 57 HG2 LYS 57 -4.602 -2.197 -16.289 474 HD2 LYS 57 HD1 LYS 57 -4.902 -4.293 -15.125 475 HD3 LYS 57 HD2 LYS 57 -6.662 -4.048 -15.039 476 HE2 LYS 57 HE1 LYS 57 -6.786 -4.230 -17.510 477 HE3 LYS 57 HE2 LYS 57 -5.035 -4.533 -17.561 478 HZ1 LYS 57 HZ1 LYS 57 -6.291 -6.570 -17.566 479 HZ2 LYS 57 HZ2 LYS 57 -5.394 -6.465 -16.183 480 HZ3 LYS 57 HZ3 LYS 57 -7.019 -6.183 -16.136 481 H SER 58 H SER 58 -2.959 -0.572 -12.692 482 HA SER 58 HA SER 58 -1.041 -1.133 -14.761 483 HB2 SER 58 HB1 SER 58 0.226 0.739 -13.886 484 HB3 SER 58 HB2 SER 58 -1.491 1.154 -14.105 485 HG SER 58 HG SER 58 -0.629 1.946 -12.136 486 H LEU 59 H LEU 59 -1.181 -1.921 -11.273 487 HA LEU 59 HA LEU 59 1.346 -3.265 -11.202 488 HB2 LEU 59 HB1 LEU 59 -1.268 -3.742 -9.726 489 HB3 LEU 59 HB2 LEU 59 0.281 -4.515 -9.315 490 HG LEU 59 HG LEU 59 -0.387 -1.562 -9.147 491 HD11 LEU 59 HD11 LEU 59 -0.114 -1.951 -6.717 492 HD12 LEU 59 HD12 LEU 59 -1.387 -2.992 -7.398 493 HD13 LEU 59 HD13 LEU 59 0.215 -3.673 -7.030 494 HD21 LEU 59 HD21 LEU 59 1.845 -1.254 -8.136 495 HD22 LEU 59 HD22 LEU 59 2.220 -2.963 -8.453 496 HD23 LEU 59 HD23 LEU 59 1.965 -1.839 -9.809 497 H ASP 60 H ASP 60 -1.927 -4.332 -12.076 498 HA ASP 60 HA ASP 60 -1.425 -7.091 -12.456 499 HB2 ASP 60 HB1 ASP 60 -3.581 -6.004 -12.006 500 HB3 ASP 60 HB2 ASP 60 -3.529 -5.230 -13.604 501 H LYS 61 H LYS 61 -0.654 -4.400 -14.606 502 HA LYS 61 HA LYS 61 -0.362 -5.848 -17.035 503 HB2 LYS 61 HB1 LYS 61 1.073 -3.418 -15.935 504 HB3 LYS 61 HB2 LYS 61 1.282 -4.023 -17.596 505 HG2 LYS 61 HG1 LYS 61 -1.245 -3.733 -17.861 506 HG3 LYS 61 HG2 LYS 61 -1.196 -2.823 -16.332 507 HD2 LYS 61 HD1 LYS 61 0.052 -2.122 -19.004 508 HD3 LYS 61 HD2 LYS 61 -1.004 -1.133 -17.967 509 HE2 LYS 61 HE1 LYS 61 0.810 -1.070 -16.248 510 HE3 LYS 61 HE2 LYS 61 1.864 -1.963 -17.366 511 HZ1 LYS 61 HZ1 LYS 61 2.285 0.388 -17.436 512 HZ2 LYS 61 HZ2 LYS 61 1.699 -0.127 -18.887 513 HZ3 LYS 61 HZ3 LYS 61 0.720 0.702 -17.849 514 H ASN 62 H ASN 62 2.004 -5.229 -14.417 515 HA ASN 62 HA ASN 62 4.157 -6.528 -16.018 516 HB2 ASN 62 HB1 ASN 62 3.989 -4.247 -14.079 517 HB3 ASN 62 HB2 ASN 62 5.490 -5.197 -14.096 518 HD21 ASN 62 HD21 ASN 62 6.866 -5.087 -15.850 519 HD22 ASN 62 HD22 ASN 62 6.634 -3.979 -17.187 520 H SER 63 H SER 63 2.836 -6.467 -12.620 521 HA SER 63 HA SER 63 1.670 -8.281 -11.955 522 HB2 SER 63 HB1 SER 63 1.549 -8.869 -14.388 523 HB3 SER 63 HB2 SER 63 2.997 -9.881 -14.163 524 HG SER 63 HG SER 63 1.043 -11.063 -13.962 525 H ASP 64 H ASP 64 4.809 -9.723 -12.986 526 HA ASP 64 HA ASP 64 4.730 -11.294 -10.450 527 HB2 ASP 64 HB1 ASP 64 5.337 -12.308 -13.252 528 HB3 ASP 64 HB2 ASP 64 5.347 -13.271 -11.760 529 H GLN 65 H GLN 65 6.471 -9.239 -12.499 530 HA GLN 65 HA GLN 65 9.124 -9.676 -11.596 531 HB2 GLN 65 HB1 GLN 65 7.446 -7.202 -12.176 532 HB3 GLN 65 HB2 GLN 65 9.184 -7.130 -11.795 533 HG2 GLN 65 HG1 GLN 65 9.663 -8.546 -13.775 534 HG3 GLN 65 HG2 GLN 65 7.928 -8.582 -14.160 535 HE21 GLN 65 HE12 GLN 65 10.652 -7.240 -15.331 536 HE22 GLN 65 HE22 GLN 65 10.056 -5.674 -15.825 537 H GLU 66 H GLU 66 10.208 -8.950 -9.713 538 HA GLU 66 HA GLU 66 8.459 -8.613 -7.420 539 HB2 GLU 66 HB1 GLU 66 11.467 -8.787 -7.632 540 HB3 GLU 66 HB2 GLU 66 10.602 -8.509 -6.102 541 HG2 GLU 66 HG1 GLU 66 9.439 -10.641 -6.317 542 HG3 GLU 66 HG2 GLU 66 10.151 -10.907 -7.925 543 H ILE 67 H ILE 67 8.457 -7.025 -5.981 544 HA ILE 67 HA ILE 67 9.588 -4.349 -6.578 545 HB ILE 67 HB ILE 67 7.433 -3.679 -5.147 546 HG12 ILE 67 HG13 ILE 67 6.405 -6.042 -6.739 547 HG13 ILE 67 HG12 ILE 67 6.544 -5.962 -4.966 548 HG21 ILE 67 HG21 ILE 67 6.287 -3.033 -7.226 549 HG22 ILE 67 HG22 ILE 67 8.036 -2.732 -7.318 550 HG23 ILE 67 HG23 ILE 67 7.330 -4.146 -8.137 551 HD11 ILE 67 HD11 ILE 67 4.223 -5.564 -5.696 552 HD12 ILE 67 HD12 ILE 67 4.916 -4.126 -4.919 553 HD13 ILE 67 HD13 ILE 67 4.777 -4.203 -6.692 554 H ASP 68 H ASP 68 10.295 -3.228 -4.733 555 HA ASP 68 HA ASP 68 10.385 -4.743 -2.197 556 HB2 ASP 68 HB1 ASP 68 12.273 -3.409 -1.624 557 HB3 ASP 68 HB2 ASP 68 12.483 -3.891 -3.322 558 H PHE 69 H PHE 69 10.617 -3.157 -0.271 559 HA PHE 69 HA PHE 69 8.132 -2.365 0.611 560 HB2 PHE 69 HB1 PHE 69 10.309 -2.906 1.801 561 HB3 PHE 69 HB2 PHE 69 10.833 -1.251 1.450 562 HD1 PHE 69 HD1 PHE 69 7.577 -2.641 2.763 563 HD2 PHE 69 HD2 PHE 69 11.009 -0.138 3.476 564 HE1 PHE 69 HE1 PHE 69 6.606 -1.922 4.933 565 HE2 PHE 69 HE2 PHE 69 10.020 0.601 5.626 566 HZ PHE 69 HZ PHE 69 7.819 -0.282 6.355 567 H LYS 70 H LYS 70 10.386 -0.385 -1.235 568 HA LYS 70 HA LYS 70 9.452 2.248 -0.769 569 HB2 LYS 70 HB1 LYS 70 11.541 1.541 -1.854 570 HB3 LYS 70 HB2 LYS 70 10.618 0.787 -3.174 571 HG2 LYS 70 HG1 LYS 70 9.769 3.213 -3.620 572 HG3 LYS 70 HG2 LYS 70 11.192 3.692 -2.666 573 HD2 LYS 70 HD1 LYS 70 11.218 1.909 -5.129 574 HD3 LYS 70 HD2 LYS 70 11.666 3.633 -5.093 575 HE2 LYS 70 HE1 LYS 70 13.719 2.531 -5.113 576 HE3 LYS 70 HE2 LYS 70 13.476 2.927 -3.398 577 HZ1 LYS 70 HZ1 LYS 70 14.278 0.694 -3.688 578 HZ2 LYS 70 HZ2 LYS 70 12.762 0.676 -3.044 579 HZ3 LYS 70 HZ3 LYS 70 12.988 0.307 -4.635 580 H GLU 71 H GLU 71 8.638 -0.080 -3.343 581 HA GLU 71 HA GLU 71 6.851 1.596 -4.794 582 HB2 GLU 71 HB1 GLU 71 7.212 -1.423 -4.636 583 HB3 GLU 71 HB2 GLU 71 6.163 -0.609 -5.821 584 HG2 GLU 71 HG1 GLU 71 8.977 0.383 -5.634 585 HG3 GLU 71 HG2 GLU 71 8.756 -1.243 -6.316 586 H TYR 72 H TYR 72 6.429 -0.871 -2.275 587 HA TYR 72 HA TYR 72 3.596 -0.782 -2.071 588 HB2 TYR 72 HB1 TYR 72 4.829 -2.609 -1.229 589 HB3 TYR 72 HB2 TYR 72 5.873 -1.563 -0.251 590 HD1 TYR 72 HD1 TYR 72 2.110 -1.873 -0.491 591 HD2 TYR 72 HD2 TYR 72 5.609 -1.992 2.004 592 HE1 TYR 72 HE1 TYR 72 0.699 -2.526 1.445 593 HE2 TYR 72 HE2 TYR 72 4.200 -2.590 3.960 594 HH TYR 72 HH TYR 72 2.086 -3.148 4.684 595 H SER 73 H SER 73 6.086 1.083 -0.189 596 HA SER 73 HA SER 73 4.141 2.461 1.373 597 HB2 SER 73 HB1 SER 73 5.897 3.731 2.240 598 HB3 SER 73 HB2 SER 73 6.611 2.144 1.868 599 HG SER 73 HG SER 73 7.918 3.892 1.177 600 H VAL 74 H VAL 74 5.751 3.444 -1.725 601 HA VAL 74 HA VAL 74 4.429 5.991 -1.711 602 HB VAL 74 HB VAL 74 5.088 6.323 -3.976 603 HG11 VAL 74 HG11 VAL 74 7.530 6.261 -3.670 604 HG12 VAL 74 HG12 VAL 74 6.688 6.764 -2.188 605 HG13 VAL 74 HG13 VAL 74 7.327 5.110 -2.332 606 HG21 VAL 74 HG21 VAL 74 6.398 4.732 -5.315 607 HG22 VAL 74 HG22 VAL 74 6.159 3.498 -4.062 608 HG23 VAL 74 HG23 VAL 74 4.765 4.130 -4.969 609 H PHE 75 H PHE 75 3.499 2.803 -3.103 610 HA PHE 75 HA PHE 75 1.252 3.801 -4.575 611 HB2 PHE 75 HB1 PHE 75 2.360 1.573 -4.830 612 HB3 PHE 75 HB2 PHE 75 1.656 1.086 -3.280 613 HD1 PHE 75 HD2 PHE 75 -0.992 1.213 -3.122 614 HD2 PHE 75 HD1 PHE 75 1.206 1.240 -6.819 615 HE1 PHE 75 HE2 PHE 75 -2.968 0.276 -4.294 616 HE2 PHE 75 HE1 PHE 75 -0.780 0.342 -7.997 617 HZ PHE 75 HZ PHE 75 -2.829 -0.254 -6.721 618 H LEU 76 H LEU 76 1.524 2.495 -1.205 619 HA LEU 76 HA LEU 76 -1.168 2.934 -0.436 620 HB2 LEU 76 HB1 LEU 76 1.476 2.814 1.009 621 HB3 LEU 76 HB2 LEU 76 -0.007 3.252 1.892 622 HG LEU 76 HG LEU 76 0.369 0.665 0.341 623 HD11 LEU 76 HD11 LEU 76 0.665 -0.339 2.591 624 HD12 LEU 76 HD12 LEU 76 1.928 0.873 2.261 625 HD13 LEU 76 HD13 LEU 76 0.563 1.280 3.327 626 HD21 LEU 76 HD21 LEU 76 -1.633 -0.073 1.607 627 HD22 LEU 76 HD22 LEU 76 -1.751 1.536 2.357 628 HD23 LEU 76 HD23 LEU 76 -1.999 1.349 0.604 629 H THR 77 H THR 77 1.696 5.087 -0.108 630 HA THR 77 HA THR 77 0.401 7.307 1.066 631 HB THR 77 HB THR 77 2.832 7.143 -0.747 632 HG1 THR 77 HG1 THR 77 3.831 7.207 1.326 633 HG21 THR 77 HG21 THR 77 3.505 9.302 0.271 634 HG22 THR 77 HG22 THR 77 1.989 9.470 -0.642 635 HG23 THR 77 HG23 THR 77 1.952 9.373 1.135 636 H MET 78 H MET 78 0.823 6.411 -2.356 637 HA MET 78 HA MET 78 -0.223 8.771 -3.521 638 HB2 MET 78 HB1 MET 78 1.175 7.167 -4.705 639 HB3 MET 78 HB2 MET 78 -0.087 5.921 -4.547 640 HG2 MET 78 HG1 MET 78 -1.521 7.011 -6.040 641 HG3 MET 78 HG2 MET 78 -0.647 8.547 -5.906 642 HE1 MET 78 HE1 MET 78 1.568 5.013 -7.950 643 HE2 MET 78 HE2 MET 78 1.604 5.412 -6.220 644 HE3 MET 78 HE3 MET 78 0.127 4.737 -6.949 645 H LEU 79 H LEU 79 -1.948 5.616 -2.793 646 HA LEU 79 HA LEU 79 -4.481 6.670 -3.571 647 HB2 LEU 79 HB1 LEU 79 -3.542 4.226 -2.692 648 HB3 LEU 79 HB2 LEU 79 -4.594 4.750 -1.357 649 HG LEU 79 HG LEU 79 -5.973 3.490 -2.746 650 HD11 LEU 79 HD11 LEU 79 -7.638 5.010 -3.726 651 HD12 LEU 79 HD12 LEU 79 -7.065 5.584 -2.148 652 HD13 LEU 79 HD13 LEU 79 -6.462 6.336 -3.645 653 HD21 LEU 79 HD21 LEU 79 -6.127 3.697 -5.201 654 HD22 LEU 79 HD22 LEU 79 -4.890 4.971 -5.165 655 HD23 LEU 79 HD23 LEU 79 -4.476 3.310 -4.675 656 H CYS 80 H CYS 80 -2.726 6.815 -0.464 657 HA CYS 80 HA CYS 80 -4.859 7.947 1.060 658 HB2 CYS 80 HB1 CYS 80 -2.841 6.698 1.905 659 HB3 CYS 80 HB2 CYS 80 -1.861 8.139 1.538 660 HG CYS 80 HG CYS 80 -2.369 8.037 4.103 661 H MET 81 H MET 81 -2.443 9.533 -1.062 662 HA MET 81 HA MET 81 -3.493 12.151 -0.243 663 HB2 MET 81 HB1 MET 81 -1.815 13.150 -1.595 664 HB3 MET 81 HB2 MET 81 -1.099 11.891 -0.560 665 HG2 MET 81 HG1 MET 81 0.005 11.747 -2.599 666 HG3 MET 81 HG2 MET 81 -1.120 10.381 -2.551 667 HE1 MET 81 HE1 MET 81 -1.799 14.162 -5.143 668 HE2 MET 81 HE2 MET 81 -2.061 14.105 -3.384 669 HE3 MET 81 HE3 MET 81 -0.414 13.954 -4.043 670 H ALA 82 H ALA 82 -3.992 9.851 -2.874 671 HA ALA 82 HA ALA 82 -5.523 11.552 -4.553 672 HB1 ALA 82 HB1 ALA 82 -6.481 9.452 -5.414 673 HB2 ALA 82 HB2 ALA 82 -4.715 9.334 -5.218 674 HB3 ALA 82 HB3 ALA 82 -5.796 8.571 -4.027 675 H TYR 83 H TYR 83 -6.402 10.050 -1.429 676 HA TYR 83 HA TYR 83 -8.293 12.223 -1.205 677 HB2 TYR 83 HB1 TYR 83 -10.231 10.951 -0.573 678 HB3 TYR 83 HB2 TYR 83 -9.716 10.514 -2.211 679 HD1 TYR 83 HD2 TYR 83 -8.539 8.220 -2.561 680 HD2 TYR 83 HD1 TYR 83 -10.427 9.352 1.143 681 HE1 TYR 83 HE2 TYR 83 -9.155 5.858 -2.135 682 HE2 TYR 83 HE1 TYR 83 -10.659 6.955 1.749 683 HH TYR 83 HH TYR 83 -9.885 4.348 -0.613 684 H ASN 84 H ASN 84 -8.431 13.046 0.768 685 HA ASN 84 HA ASN 84 -8.639 11.548 3.140 686 HB2 ASN 84 HB1 ASN 84 -6.633 12.249 4.360 687 HB3 ASN 84 HB2 ASN 84 -6.324 11.112 3.028 688 HD21 ASN 84 HD21 ASN 84 -4.097 11.910 3.477 689 HD22 ASN 84 HD22 ASN 84 -3.553 13.338 2.619 690 H ASP 85 H ASP 85 -10.427 13.073 2.425 691 HA ASP 85 HA ASP 85 -10.277 15.868 2.598 692 HB2 ASP 85 HB1 ASP 85 -12.001 14.283 1.542 693 HB3 ASP 85 HB2 ASP 85 -12.739 14.202 3.157 694 H PHE 86 H PHE 86 -10.500 13.620 5.212 695 HA PHE 86 HA PHE 86 -11.595 15.090 7.317 696 HB2 PHE 86 HB1 PHE 86 -9.176 13.249 7.383 697 HB3 PHE 86 HB2 PHE 86 -10.268 13.613 8.731 698 HD1 PHE 86 HD1 PHE 86 -12.733 12.873 8.519 699 HD2 PHE 86 HD2 PHE 86 -9.593 11.417 5.951 700 HE1 PHE 86 HE1 PHE 86 -14.130 10.905 7.920 701 HE2 PHE 86 HE2 PHE 86 -10.999 9.458 5.344 702 HZ PHE 86 HZ PHE 86 -13.262 9.197 6.338 703 H PHE 87 H PHE 87 -8.838 15.998 5.519 704 HA PHE 87 HA PHE 87 -7.881 17.780 7.697 705 HB2 PHE 87 HB1 PHE 87 -6.229 16.728 5.381 706 HB3 PHE 87 HB2 PHE 87 -5.659 17.581 6.825 707 HD1 PHE 87 HD2 PHE 87 -6.666 16.279 9.109 708 HD2 PHE 87 HD1 PHE 87 -5.585 14.502 5.339 709 HE1 PHE 87 HE2 PHE 87 -6.478 14.062 10.210 710 HE2 PHE 87 HE1 PHE 87 -5.389 12.285 6.441 711 HZ PHE 87 HZ PHE 87 -5.869 12.057 8.872 712 H LEU 88 H LEU 88 -9.820 17.948 5.111 713 HA LEU 88 HA LEU 88 -8.767 20.562 4.126 714 HB2 LEU 88 HB1 LEU 88 -10.360 18.355 2.803 715 HB3 LEU 88 HB2 LEU 88 -10.193 19.986 2.109 716 HG LEU 88 HG LEU 88 -8.744 18.338 1.070 717 HD11 LEU 88 HD11 LEU 88 -6.663 19.675 1.075 718 HD12 LEU 88 HD12 LEU 88 -8.110 20.702 1.062 719 HD13 LEU 88 HD13 LEU 88 -7.192 20.473 2.569 720 HD21 LEU 88 HD21 LEU 88 -6.695 17.446 2.111 721 HD22 LEU 88 HD22 LEU 88 -7.202 18.137 3.662 722 HD23 LEU 88 HD23 LEU 88 -8.163 16.846 2.903 723 H GLU 89 H GLU 89 -11.527 20.825 2.878 724 HA GLU 89 HA GLU 89 -13.399 21.110 5.124 725 HB2 GLU 89 HB1 GLU 89 -12.309 23.384 3.459 726 HB3 GLU 89 HB2 GLU 89 -13.982 23.433 4.063 727 HG2 GLU 89 HG1 GLU 89 -12.861 24.665 5.644 728 HG3 GLU 89 HG2 GLU 89 -12.904 23.053 6.389 729 H ASP 90 H ASP 90 -12.636 21.123 1.619 730 HA ASP 90 HA ASP 90 -15.453 20.551 0.965 731 HB2 ASP 90 HB1 ASP 90 -15.691 22.413 -0.496 732 HB3 ASP 90 HB2 ASP 90 -14.997 23.067 1.004 733 H ASN 91 H ASN 91 -12.584 19.198 0.588 734 HA ASN 91 HA ASN 91 -12.281 19.339 -2.321 735 HB2 ASN 91 HB1 ASN 91 -10.716 18.059 -0.086 736 HB3 ASN 91 HB2 ASN 91 -10.349 17.728 -1.793 737 HD21 ASN 91 HD21 ASN 91 -11.303 20.965 -0.526 738 HD22 ASN 91 HD22 ASN 91 -9.736 21.708 -0.832 739 H LYS 92 H LYS 92 -12.307 16.508 -0.170 740 HA LYS 92 HA LYS 92 -12.974 14.415 -0.243 741 HB2 LYS 92 HB1 LYS 92 -14.845 15.221 -2.456 742 HB3 LYS 92 HB2 LYS 92 -14.713 13.559 -1.833 743 HG2 LYS 92 HG1 LYS 92 -16.550 14.448 -0.708 744 HG3 LYS 92 HG2 LYS 92 -15.220 14.560 0.468 745 HD2 LYS 92 HD1 LYS 92 -16.614 16.555 0.564 746 HD3 LYS 92 HD2 LYS 92 -14.992 16.968 -0.040 747 HE2 LYS 92 HE1 LYS 92 -15.921 16.796 -2.390 748 HE3 LYS 92 HE2 LYS 92 -17.538 16.622 -1.674 749 HZ1 LYS 92 HZ1 LYS 92 -17.068 18.883 -2.270 750 HZ2 LYS 92 HZ2 LYS 92 -17.236 18.752 -0.635 751 HZ3 LYS 92 HZ3 LYS 92 -15.736 18.913 -1.301 752 HA MET 1 HA MET 1 -9.811 5.727 11.996 753 HB2 MET 1 HB1 MET 1 -9.736 6.561 9.579 754 HB3 MET 1 HB2 MET 1 -9.821 4.849 9.101 755 HG2 MET 1 HG1 MET 1 -11.906 4.600 10.424 756 HG3 MET 1 HG2 MET 1 -11.829 6.315 10.858 757 HE1 MET 1 HE1 MET 1 -14.471 4.870 7.735 758 HE2 MET 1 HE2 MET 1 -13.364 3.755 8.566 759 HE3 MET 1 HE3 MET 1 -14.405 4.847 9.511 760 H GLU 2 H GLU 2 -9.314 3.073 9.607 761 HA GLU 2 HA GLU 2 -11.226 1.680 11.359 762 HB2 GLU 2 HB1 GLU 2 -11.808 2.590 9.130 763 HB3 GLU 2 HB2 GLU 2 -10.585 1.525 8.397 764 HG2 GLU 2 HG1 GLU 2 -11.899 -0.445 9.176 765 HG3 GLU 2 HG2 GLU 2 -13.147 0.666 9.782 766 H THR 3 H THR 3 -8.956 0.475 8.871 767 HA THR 3 HA THR 3 -8.966 -2.171 10.103 768 HB THR 3 HB THR 3 -8.107 -2.942 8.057 769 HG1 THR 3 HG1 THR 3 -7.232 -1.489 6.527 770 HG21 THR 3 HG21 THR 3 -9.536 -1.961 6.309 771 HG22 THR 3 HG22 THR 3 -10.422 -2.181 7.832 772 HG23 THR 3 HG23 THR 3 -9.848 -0.562 7.360 773 HA PRO 4 HA PRO 4 -4.816 -1.855 11.666 774 HB2 PRO 4 HB1 PRO 4 -3.281 -3.999 11.009 775 HB3 PRO 4 HB2 PRO 4 -4.783 -4.149 11.978 776 HG2 PRO 4 HG1 PRO 4 -4.415 -4.647 9.028 777 HG3 PRO 4 HG2 PRO 4 -5.299 -5.657 10.218 778 HD2 PRO 4 HD1 PRO 4 -6.500 -3.802 8.529 779 HD3 PRO 4 HD2 PRO 4 -7.162 -4.252 10.129 780 H LEU 5 H LEU 5 -4.324 -2.553 8.081 781 HA LEU 5 HA LEU 5 -1.677 -1.465 8.086 782 HB2 LEU 5 HB1 LEU 5 -2.429 -2.921 6.336 783 HB3 LEU 5 HB2 LEU 5 -3.721 -1.785 5.880 784 HG LEU 5 HG LEU 5 -2.139 -0.230 4.966 785 HD11 LEU 5 HD11 LEU 5 0.301 -0.635 4.929 786 HD12 LEU 5 HD12 LEU 5 -0.301 -0.470 6.593 787 HD13 LEU 5 HD13 LEU 5 0.073 -2.081 5.938 788 HD21 LEU 5 HD21 LEU 5 -1.164 -1.645 3.171 789 HD22 LEU 5 HD22 LEU 5 -1.426 -3.094 4.170 790 HD23 LEU 5 HD23 LEU 5 -2.820 -2.166 3.568 791 H GLU 6 H GLU 6 -4.838 0.065 7.415 792 HA GLU 6 HA GLU 6 -3.909 2.633 6.764 793 HB2 GLU 6 HB1 GLU 6 -6.148 3.331 7.136 794 HB3 GLU 6 HB2 GLU 6 -6.213 1.665 6.516 795 HG2 GLU 6 HG1 GLU 6 -7.720 1.499 8.234 796 HG3 GLU 6 HG2 GLU 6 -6.231 1.071 9.102 797 H LYS 7 H LYS 7 -3.913 1.122 9.966 798 HA LYS 7 HA LYS 7 -3.742 3.453 11.550 799 HB2 LYS 7 HB1 LYS 7 -2.246 0.839 11.947 800 HB3 LYS 7 HB2 LYS 7 -2.507 2.099 13.178 801 HG2 LYS 7 HG1 LYS 7 -4.762 0.613 11.818 802 HG3 LYS 7 HG2 LYS 7 -4.004 0.077 13.336 803 HD2 LYS 7 HD1 LYS 7 -4.569 2.271 14.372 804 HD3 LYS 7 HD2 LYS 7 -5.369 2.763 12.860 805 HE2 LYS 7 HE1 LYS 7 -6.124 0.134 14.106 806 HE3 LYS 7 HE2 LYS 7 -6.745 1.628 14.837 807 HZ1 LYS 7 HZ1 LYS 7 -8.236 0.762 13.183 808 HZ2 LYS 7 HZ2 LYS 7 -7.645 2.225 12.703 809 HZ3 LYS 7 HZ3 LYS 7 -7.067 0.837 12.022 810 H ALA 8 H ALA 8 -1.220 1.838 9.574 811 HA ALA 8 HA ALA 8 0.992 3.405 10.385 812 HB1 ALA 8 HB1 ALA 8 1.980 2.729 8.222 813 HB2 ALA 8 HB2 ALA 8 1.184 1.356 9.027 814 HB3 ALA 8 HB3 ALA 8 0.383 2.176 7.665 815 H LEU 9 H LEU 9 -1.200 3.876 7.577 816 HA LEU 9 HA LEU 9 -0.260 6.406 6.777 817 HB2 LEU 9 HB1 LEU 9 -2.924 5.015 6.452 818 HB3 LEU 9 HB2 LEU 9 -2.580 6.611 5.743 819 HG LEU 9 HG LEU 9 -2.384 4.914 4.074 820 HD11 LEU 9 HD11 LEU 9 -0.099 5.322 3.225 821 HD12 LEU 9 HD12 LEU 9 -0.825 6.797 3.899 822 HD13 LEU 9 HD13 LEU 9 0.388 5.891 4.836 823 HD21 LEU 9 HD21 LEU 9 -0.731 3.084 4.124 824 HD22 LEU 9 HD22 LEU 9 -0.263 3.564 5.767 825 HD23 LEU 9 HD23 LEU 9 -1.904 2.952 5.450 826 H THR 10 H THR 10 -2.990 5.604 9.028 827 HA THR 10 HA THR 10 -3.856 8.178 9.662 828 HB THR 10 HB THR 10 -3.581 5.836 11.577 829 HG1 THR 10 HG1 THR 10 -5.747 5.440 10.905 830 HG21 THR 10 HG21 THR 10 -5.523 6.870 12.732 831 HG22 THR 10 HG22 THR 10 -4.132 7.975 12.703 832 HG23 THR 10 HG23 THR 10 -5.486 8.217 11.572 833 H THR 11 H THR 11 -1.259 6.289 11.315 834 HA THR 11 HA THR 11 -0.508 8.293 13.173 835 HB THR 11 HB THR 11 1.231 6.145 11.923 836 HG1 THR 11 HG1 THR 11 0.529 4.955 13.756 837 HG21 THR 11 HG21 THR 11 2.475 6.235 14.068 838 HG22 THR 11 HG22 THR 11 2.514 7.804 13.235 839 HG23 THR 11 HG23 THR 11 1.420 7.556 14.617 840 H MET 12 H MET 12 0.834 7.488 9.937 841 HA MET 12 HA MET 12 2.819 9.491 9.861 842 HB2 MET 12 HB1 MET 12 1.282 8.033 7.696 843 HB3 MET 12 HB2 MET 12 2.592 9.183 7.337 844 HG2 MET 12 HG1 MET 12 4.220 7.833 8.393 845 HG3 MET 12 HG2 MET 12 3.000 6.866 9.239 846 HE1 MET 12 HE1 MET 12 5.264 5.031 6.172 847 HE2 MET 12 HE2 MET 12 5.614 6.685 6.724 848 HE3 MET 12 HE3 MET 12 5.359 5.384 7.914 849 H VAL 13 H VAL 13 -0.650 9.695 8.774 850 HA VAL 13 HA VAL 13 -0.232 12.354 7.747 851 HB VAL 13 HB VAL 13 -2.626 12.563 7.460 852 HG11 VAL 13 HG11 VAL 13 -2.877 10.835 5.714 853 HG12 VAL 13 HG12 VAL 13 -1.247 11.544 5.715 854 HG13 VAL 13 HG13 VAL 13 -1.520 9.934 6.423 855 HG21 VAL 13 HG21 VAL 13 -4.204 10.716 7.827 856 HG22 VAL 13 HG22 VAL 13 -2.919 9.793 8.628 857 HG23 VAL 13 HG23 VAL 13 -3.507 11.312 9.345 858 H THR 14 H THR 14 -1.482 11.131 10.898 859 HA THR 14 HA THR 14 -2.234 13.704 11.897 860 HB THR 14 HB THR 14 -1.292 11.257 13.423 861 HG1 THR 14 HG1 THR 14 -3.569 10.956 13.589 862 HG21 THR 14 HG21 THR 14 -2.611 12.195 15.309 863 HG22 THR 14 HG22 THR 14 -1.295 13.293 14.841 864 HG23 THR 14 HG23 THR 14 -2.967 13.637 14.334 865 H THR 15 H THR 15 0.900 11.910 12.087 866 HA THR 15 HA THR 15 2.243 14.004 13.510 867 HB THR 15 HB THR 15 4.349 12.848 12.621 868 HG1 THR 15 HG1 THR 15 3.937 10.702 11.913 869 HG21 THR 15 HG21 THR 15 4.070 10.968 14.219 870 HG22 THR 15 HG22 THR 15 3.414 12.481 14.883 871 HG23 THR 15 HG23 THR 15 2.313 11.245 14.226 872 H PHE 16 H PHE 16 1.972 13.325 9.984 873 HA PHE 16 HA PHE 16 3.633 15.469 9.111 874 HB2 PHE 16 HB1 PHE 16 2.883 13.489 7.851 875 HB3 PHE 16 HB2 PHE 16 1.235 14.139 7.830 876 HD1 PHE 16 HD2 PHE 16 4.727 15.029 6.685 877 HD2 PHE 16 HD1 PHE 16 0.489 15.175 5.954 878 HE1 PHE 16 HE2 PHE 16 5.146 15.940 4.410 879 HE2 PHE 16 HE1 PHE 16 0.911 16.087 3.693 880 HZ PHE 16 HZ PHE 16 3.232 16.623 2.967 881 H HIS 17 H HIS 17 0.121 15.440 9.897 882 HA HIS 17 HA HIS 17 -0.415 18.125 9.129 883 HB2 HIS 17 HB1 HIS 17 -2.021 16.206 9.646 884 HB3 HIS 17 HB2 HIS 17 -1.792 16.616 11.355 885 HD1 HIS 17 HD1 HIS 17 -2.049 19.727 11.323 886 HD2 HIS 17 HD2 HIS 17 -4.357 17.115 8.982 887 HE1 HIS 17 HE1 HIS 17 -4.179 20.992 10.706 888 HE2 HIS 17 HE2 HIS 17 -5.609 19.417 9.274 889 H LYS 18 H LYS 18 1.222 16.877 12.002 890 HA LYS 18 HA LYS 18 0.624 19.067 13.745 891 HB2 LYS 18 HB1 LYS 18 1.125 16.828 14.493 892 HB3 LYS 18 HB2 LYS 18 2.757 16.922 13.790 893 HG2 LYS 18 HG1 LYS 18 3.522 18.380 15.472 894 HG3 LYS 18 HG2 LYS 18 1.872 18.812 15.979 895 HD2 LYS 18 HD1 LYS 18 1.512 16.732 17.027 896 HD3 LYS 18 HD2 LYS 18 2.823 15.942 16.118 897 HE2 LYS 18 HE1 LYS 18 3.425 18.140 18.104 898 HE3 LYS 18 HE2 LYS 18 3.181 16.464 18.644 899 HZ1 LYS 18 HZ1 LYS 18 5.481 16.929 18.202 900 HZ2 LYS 18 HZ2 LYS 18 4.920 15.794 17.143 901 HZ3 LYS 18 HZ3 LYS 18 5.147 17.350 16.641 902 H TYR 19 H TYR 19 2.837 18.945 11.113 903 HA TYR 19 HA TYR 19 4.369 21.291 12.158 904 HB2 TYR 19 HB1 TYR 19 5.192 19.016 10.315 905 HB3 TYR 19 HB2 TYR 19 6.190 20.444 10.639 906 HD1 TYR 19 HD2 TYR 19 4.713 17.382 12.119 907 HD2 TYR 19 HD1 TYR 19 7.435 20.658 12.714 908 HE1 TYR 19 HE2 TYR 19 5.528 16.312 14.203 909 HE2 TYR 19 HE1 TYR 19 8.248 19.607 14.812 910 HH TYR 19 HH TYR 19 6.855 16.553 16.059 911 H SER 20 H SER 20 3.057 19.820 9.094 912 HA SER 20 HA SER 20 3.073 22.101 7.464 913 HB2 SER 20 HB1 SER 20 0.875 21.135 6.557 914 HB3 SER 20 HB2 SER 20 2.294 20.060 6.537 915 HG SER 20 HG SER 20 0.402 19.021 7.311 916 H GLY 21 H GLY 21 0.671 21.192 9.948 917 HA2 GLY 21 HA2 GLY 21 -0.192 23.648 9.538 918 H ARG 22 H ARG 22 2.089 23.416 11.020 919 HA ARG 22 HA ARG 22 1.353 25.946 12.331 920 HB2 ARG 22 HB1 ARG 22 3.000 25.816 13.894 921 HB3 ARG 22 HB2 ARG 22 2.245 24.206 13.809 922 HG2 ARG 22 HG1 ARG 22 4.423 23.611 14.023 923 HG3 ARG 22 HG2 ARG 22 4.308 23.692 12.249 924 HD2 ARG 22 HD1 ARG 22 4.967 26.308 13.161 925 HD3 ARG 22 HD2 ARG 22 6.027 25.174 14.024 926 HE ARG 22 HE ARG 22 6.368 24.212 11.649 927 HH11 ARG 22 HH12 ARG 22 5.540 27.592 11.704 928 HH12 ARG 22 HH11 ARG 22 6.795 28.023 10.572 929 HH21 ARG 22 HH22 ARG 22 8.194 24.845 10.466 930 HH22 ARG 22 HH21 ARG 22 8.273 26.491 9.883 931 H GLU 23 H GLU 23 2.286 25.133 9.417 932 HA GLU 23 HA GLU 23 3.824 27.646 9.041 933 HB2 GLU 23 HB1 GLU 23 3.540 25.188 7.271 934 HB3 GLU 23 HB2 GLU 23 4.291 26.706 6.727 935 HG2 GLU 23 HG1 GLU 23 5.731 26.557 8.845 936 HG3 GLU 23 HG2 GLU 23 5.147 24.885 8.993 937 H GLY 24 H GLY 24 1.140 25.792 7.390 938 HA2 GLY 24 HA2 GLY 24 -0.579 26.889 7.216 939 H SER 25 H SER 25 -0.195 24.832 6.643 940 HA SER 25 HA SER 25 -2.074 24.409 4.423 941 HB2 SER 25 HB1 SER 25 0.017 24.505 3.223 942 HB3 SER 25 HB2 SER 25 0.808 23.450 4.418 943 HG SER 25 HG SER 25 0.234 22.337 2.489 944 H LYS 26 H LYS 26 -2.864 22.073 4.484 945 HA LYS 26 HA LYS 26 -2.265 20.764 7.100 946 HB2 LYS 26 HB1 LYS 26 -4.768 20.776 5.373 947 HB3 LYS 26 HB2 LYS 26 -4.552 19.749 6.810 948 HG2 LYS 26 HG1 LYS 26 -4.175 21.784 8.190 949 HG3 LYS 26 HG2 LYS 26 -4.439 22.797 6.750 950 HD2 LYS 26 HD1 LYS 26 -6.542 20.884 7.795 951 HD3 LYS 26 HD2 LYS 26 -6.397 22.559 8.381 952 HE2 LYS 26 HE1 LYS 26 -6.813 23.442 6.173 953 HE3 LYS 26 HE2 LYS 26 -6.720 21.823 5.448 954 HZ1 LYS 26 HZ1 LYS 26 -8.979 22.553 5.707 955 HZ2 LYS 26 HZ2 LYS 26 -8.695 21.238 6.659 956 HZ3 LYS 26 HZ3 LYS 26 -8.782 22.741 7.332 957 H LEU 27 H LEU 27 -1.700 20.526 3.786 958 HA LEU 27 HA LEU 27 -1.218 17.593 3.890 959 HB2 LEU 27 HB1 LEU 27 -1.975 19.246 1.468 960 HB3 LEU 27 HB2 LEU 27 -1.704 17.488 1.515 961 HG LEU 27 HG LEU 27 -4.078 19.080 2.416 962 HD11 LEU 27 HD11 LEU 27 -5.186 17.411 0.956 963 HD12 LEU 27 HD12 LEU 27 -3.865 18.242 0.098 964 HD13 LEU 27 HD13 LEU 27 -3.626 16.589 0.710 965 HD21 LEU 27 HD21 LEU 27 -5.073 17.075 3.463 966 HD22 LEU 27 HD22 LEU 27 -3.535 16.212 3.259 967 HD23 LEU 27 HD23 LEU 27 -3.630 17.621 4.341 968 H THR 28 H THR 28 0.351 20.596 3.568 969 HA THR 28 HA THR 28 2.762 19.294 2.498 970 HB THR 28 HB THR 28 3.307 21.154 1.027 971 HG1 THR 28 HG1 THR 28 1.660 22.676 0.540 972 HG21 THR 28 HG21 THR 28 1.714 20.760 -0.818 973 HG22 THR 28 HG22 THR 28 2.167 19.247 -0.009 974 HG23 THR 28 HG23 THR 28 0.591 20.002 0.329 975 H LEU 29 H LEU 29 4.714 20.670 2.773 976 HA LEU 29 HA LEU 29 4.767 22.742 4.770 977 HB2 LEU 29 HB1 LEU 29 5.705 21.630 6.600 978 HB3 LEU 29 HB2 LEU 29 4.267 20.695 6.123 979 HG LEU 29 HG LEU 29 7.176 19.938 5.812 980 HD11 LEU 29 HD11 LEU 29 6.465 18.020 7.238 981 HD12 LEU 29 HD12 LEU 29 6.105 19.571 8.029 982 HD13 LEU 29 HD13 LEU 29 4.801 18.646 7.244 983 HD21 LEU 29 HD21 LEU 29 6.433 17.795 4.812 984 HD22 LEU 29 HD22 LEU 29 4.762 18.393 4.796 985 HD23 LEU 29 HD23 LEU 29 5.999 19.173 3.781 986 H SER 30 H SER 30 7.015 23.521 5.201 987 HA SER 30 HA SER 30 8.531 23.297 2.753 988 HB2 SER 30 HB1 SER 30 8.257 25.401 4.213 989 HB3 SER 30 HB2 SER 30 9.533 24.698 5.236 990 HG SER 30 HG SER 30 10.375 26.002 3.534 991 H ARG 31 H ARG 31 10.898 22.835 2.637 992 HA ARG 31 HA ARG 31 11.475 20.233 3.429 993 HB2 ARG 31 HB1 ARG 31 13.826 22.015 3.252 994 HB3 ARG 31 HB2 ARG 31 13.516 20.426 2.510 995 HG2 ARG 31 HG1 ARG 31 12.277 22.949 1.431 996 HG3 ARG 31 HG2 ARG 31 13.915 22.422 0.978 997 HD2 ARG 31 HD1 ARG 31 11.472 20.644 0.741 998 HD3 ARG 31 HD2 ARG 31 12.043 21.691 -0.575 999 HE ARG 31 HE ARG 31 14.298 20.304 0.091 1000 HH11 ARG 31 HH12 ARG 31 11.079 19.250 -0.937 1001 HH12 ARG 31 HH11 ARG 31 11.652 17.701 -1.486 1002 HH21 ARG 31 HH22 ARG 31 14.932 18.228 -0.548 1003 HH22 ARG 31 HH21 ARG 31 13.777 17.138 -1.271 1004 H LYS 32 H LYS 32 12.172 23.238 5.221 1005 HA LYS 32 HA LYS 32 13.851 22.222 7.241 1006 HB2 LYS 32 HB1 LYS 32 11.702 24.367 7.306 1007 HB3 LYS 32 HB2 LYS 32 12.880 24.091 8.611 1008 HG2 LYS 32 HG1 LYS 32 14.119 24.414 5.965 1009 HG3 LYS 32 HG2 LYS 32 13.178 25.833 6.483 1010 HD2 LYS 32 HD1 LYS 32 15.422 26.198 7.178 1011 HD3 LYS 32 HD2 LYS 32 14.486 25.797 8.637 1012 HE2 LYS 32 HE1 LYS 32 16.502 24.612 8.886 1013 HE3 LYS 32 HE2 LYS 32 15.340 23.393 8.317 1014 HZ1 LYS 32 HZ1 LYS 32 17.428 23.242 7.160 1015 HZ2 LYS 32 HZ2 LYS 32 16.229 23.670 6.112 1016 HZ3 LYS 32 HZ3 LYS 32 17.307 24.802 6.641 1017 H GLU 33 H GLU 33 10.228 22.295 7.162 1018 HA GLU 33 HA GLU 33 9.937 21.175 9.752 1019 HB2 GLU 33 HB1 GLU 33 8.047 21.308 7.405 1020 HB3 GLU 33 HB2 GLU 33 7.600 20.570 8.962 1021 HG2 GLU 33 HG1 GLU 33 8.387 23.446 8.468 1022 HG3 GLU 33 HG2 GLU 33 6.764 22.827 8.839 1023 H LEU 34 H LEU 34 10.203 19.477 6.528 1024 HA LEU 34 HA LEU 34 9.345 16.978 7.578 1025 HB2 LEU 34 HB1 LEU 34 9.469 17.276 5.203 1026 HB3 LEU 34 HB2 LEU 34 11.224 17.571 5.278 1027 HG LEU 34 HG LEU 34 11.585 15.273 6.074 1028 HD11 LEU 34 HD11 LEU 34 9.777 13.573 6.028 1029 HD12 LEU 34 HD12 LEU 34 9.427 14.861 7.199 1030 HD13 LEU 34 HD13 LEU 34 8.607 14.844 5.619 1031 HD21 LEU 34 HD21 LEU 34 11.029 14.025 4.001 1032 HD22 LEU 34 HD22 LEU 34 9.885 15.306 3.549 1033 HD23 LEU 34 HD23 LEU 34 11.629 15.656 3.635 1034 H LYS 35 H LYS 35 12.720 18.380 7.506 1035 HA LYS 35 HA LYS 35 13.722 16.051 8.863 1036 HB2 LYS 35 HB1 LYS 35 15.745 16.856 8.543 1037 HB3 LYS 35 HB2 LYS 35 14.919 18.039 7.500 1038 HG2 LYS 35 HG1 LYS 35 14.988 19.705 9.268 1039 HG3 LYS 35 HG2 LYS 35 15.696 18.524 10.395 1040 HD2 LYS 35 HD1 LYS 35 17.062 19.145 7.770 1041 HD3 LYS 35 HD2 LYS 35 17.263 20.228 9.168 1042 HE2 LYS 35 HE1 LYS 35 18.385 18.595 10.435 1043 HE3 LYS 35 HE2 LYS 35 17.747 17.257 9.458 1044 HZ1 LYS 35 HZ1 LYS 35 20.058 17.666 9.000 1045 HZ2 LYS 35 HZ2 LYS 35 19.152 17.982 7.660 1046 HZ3 LYS 35 HZ3 LYS 35 19.745 19.225 8.566 1047 H GLU 36 H GLU 36 12.367 19.090 10.075 1048 HA GLU 36 HA GLU 36 13.072 18.745 12.828 1049 HB2 GLU 36 HB1 GLU 36 12.373 20.855 11.692 1050 HB3 GLU 36 HB2 GLU 36 10.722 20.202 11.562 1051 HG2 GLU 36 HG1 GLU 36 10.706 21.716 13.370 1052 HG3 GLU 36 HG2 GLU 36 10.683 20.086 14.078 1053 H LEU 37 H LEU 37 10.136 17.908 10.983 1054 HA LEU 37 HA LEU 37 8.525 16.701 12.886 1055 HB2 LEU 37 HB1 LEU 37 7.617 17.123 10.793 1056 HB3 LEU 37 HB2 LEU 37 8.990 16.384 9.934 1057 HG LEU 37 HG LEU 37 8.175 14.168 10.482 1058 HD11 LEU 37 HD11 LEU 37 5.942 13.764 11.444 1059 HD12 LEU 37 HD12 LEU 37 7.020 14.568 12.602 1060 HD13 LEU 37 HD13 LEU 37 5.770 15.504 11.749 1061 HD21 LEU 37 HD21 LEU 37 6.167 14.206 9.025 1062 HD22 LEU 37 HD22 LEU 37 6.024 15.961 9.278 1063 HD23 LEU 37 HD23 LEU 37 7.431 15.296 8.414 1064 H ILE 38 H ILE 38 10.956 15.018 10.778 1065 HA ILE 38 HA ILE 38 10.547 12.509 12.066 1066 HB ILE 38 HB ILE 38 12.802 13.534 10.324 1067 HG12 ILE 38 HG13 ILE 38 10.452 11.672 9.781 1068 HG13 ILE 38 HG12 ILE 38 10.504 13.399 9.357 1069 HG21 ILE 38 HG21 ILE 38 13.469 11.163 10.023 1070 HG22 ILE 38 HG22 ILE 38 13.648 11.674 11.717 1071 HG23 ILE 38 HG23 ILE 38 12.260 10.671 11.230 1072 HD11 ILE 38 HD11 ILE 38 10.977 11.983 7.382 1073 HD12 ILE 38 HD12 ILE 38 12.386 12.969 7.826 1074 HD13 ILE 38 HD13 ILE 38 12.337 11.240 8.249 1075 H LYS 39 H LYS 39 12.982 15.109 12.826 1076 HA LYS 39 HA LYS 39 14.111 13.300 14.818 1077 HB2 LYS 39 HB1 LYS 39 14.909 15.891 13.596 1078 HB3 LYS 39 HB2 LYS 39 15.606 15.429 15.167 1079 HG2 LYS 39 HG1 LYS 39 15.897 14.093 12.483 1080 HG3 LYS 39 HG2 LYS 39 17.161 14.683 13.589 1081 HD2 LYS 39 HD1 LYS 39 15.484 12.175 13.841 1082 HD3 LYS 39 HD2 LYS 39 17.242 12.300 13.588 1083 HE2 LYS 39 HE1 LYS 39 17.651 12.888 15.818 1084 HE3 LYS 39 HE2 LYS 39 15.980 13.425 16.090 1085 HZ1 LYS 39 HZ1 LYS 39 16.413 11.314 17.123 1086 HZ2 LYS 39 HZ2 LYS 39 15.285 11.139 15.931 1087 HZ3 LYS 39 HZ3 LYS 39 16.837 10.639 15.678 1088 H LYS 40 H LYS 40 11.546 15.594 15.016 1089 HA LYS 40 HA LYS 40 11.760 15.522 17.955 1090 HB2 LYS 40 HB1 LYS 40 9.991 16.814 15.931 1091 HB3 LYS 40 HB2 LYS 40 9.282 16.444 17.520 1092 HG2 LYS 40 HG1 LYS 40 10.104 18.713 17.488 1093 HG3 LYS 40 HG2 LYS 40 11.071 17.724 18.610 1094 HD2 LYS 40 HD1 LYS 40 12.916 17.649 17.003 1095 HD3 LYS 40 HD2 LYS 40 11.946 18.545 15.810 1096 HE2 LYS 40 HE1 LYS 40 11.710 20.421 17.402 1097 HE3 LYS 40 HE2 LYS 40 12.661 19.526 18.608 1098 HZ1 LYS 40 HZ1 LYS 40 13.986 21.142 17.453 1099 HZ2 LYS 40 HZ2 LYS 40 14.524 19.621 17.116 1100 HZ3 LYS 40 HZ3 LYS 40 13.641 20.452 15.997 1101 H GLU 41 H GLU 41 9.828 13.945 15.337 1102 HA GLU 41 HA GLU 41 8.251 12.524 17.356 1103 HB2 GLU 41 HB1 GLU 41 8.089 12.346 14.334 1104 HB3 GLU 41 HB2 GLU 41 6.917 11.692 15.503 1105 HG2 GLU 41 HG1 GLU 41 7.521 14.622 15.046 1106 HG3 GLU 41 HG2 GLU 41 6.127 13.732 14.397 1107 H LEU 42 H LEU 42 11.215 11.753 15.811 1108 HA LEU 42 HA LEU 42 10.836 8.863 16.428 1109 HB2 LEU 42 HB1 LEU 42 10.964 9.747 13.881 1110 HB3 LEU 42 HB2 LEU 42 12.707 9.720 14.236 1111 HG LEU 42 HG LEU 42 12.205 7.321 15.166 1112 HD11 LEU 42 HD11 LEU 42 10.354 6.171 13.980 1113 HD12 LEU 42 HD12 LEU 42 9.743 7.492 15.001 1114 HD13 LEU 42 HD13 LEU 42 9.876 7.716 13.240 1115 HD21 LEU 42 HD21 LEU 42 12.600 6.331 12.927 1116 HD22 LEU 42 HD22 LEU 42 12.147 7.873 12.171 1117 HD23 LEU 42 HD23 LEU 42 13.608 7.773 13.181 1118 H CYS 43 H CYS 43 12.424 8.069 17.805 1119 HA CYS 43 HA CYS 43 14.042 10.066 19.108 1120 HB2 CYS 43 HB1 CYS 43 12.862 8.214 20.296 1121 HB3 CYS 43 HB2 CYS 43 14.012 7.062 19.571 1122 HG CYS 43 HG CYS 43 14.661 7.517 22.071 1123 H LEU 44 H LEU 44 14.792 7.347 16.917 1124 HA LEU 44 HA LEU 44 17.311 6.691 17.487 1125 HB2 LEU 44 HB1 LEU 44 16.144 7.088 14.729 1126 HB3 LEU 44 HB2 LEU 44 17.730 6.331 15.016 1127 HG LEU 44 HG LEU 44 16.134 4.871 16.702 1128 HD11 LEU 44 HD11 LEU 44 14.100 4.236 15.427 1129 HD12 LEU 44 HD12 LEU 44 14.065 5.958 15.874 1130 HD13 LEU 44 HD13 LEU 44 14.478 5.478 14.211 1131 HD21 LEU 44 HD21 LEU 44 16.259 3.111 14.953 1132 HD22 LEU 44 HD22 LEU 44 16.653 4.349 13.737 1133 HD23 LEU 44 HD23 LEU 44 17.790 4.011 15.065 1134 H GLY 45 H GLY 45 18.750 8.027 18.284 1135 HA2 GLY 45 HA2 GLY 45 20.254 8.923 16.539 1136 H GLU 46 H GLU 46 20.730 6.991 17.365 1137 HA GLU 46 HA GLU 46 23.202 7.282 18.899 1138 HB2 GLU 46 HB1 GLU 46 22.458 6.018 20.799 1139 HB3 GLU 46 HB2 GLU 46 21.393 7.423 20.566 1140 HG2 GLU 46 HG1 GLU 46 20.765 4.525 19.930 1141 HG3 GLU 46 HG2 GLU 46 20.086 5.507 21.245 1142 H MET 47 H MET 47 20.902 5.031 17.287 1143 HA MET 47 HA MET 47 22.907 2.899 17.241 1144 HB2 MET 47 HB1 MET 47 20.093 3.122 16.133 1145 HB3 MET 47 HB2 MET 47 21.125 1.690 15.911 1146 HG2 MET 47 HG1 MET 47 21.371 1.516 18.378 1147 HG3 MET 47 HG2 MET 47 20.292 2.907 18.573 1148 HE1 MET 47 HE1 MET 47 16.868 1.636 17.459 1149 HE2 MET 47 HE2 MET 47 17.805 2.943 18.225 1150 HE3 MET 47 HE3 MET 47 18.081 2.538 16.514 1151 H LYS 48 H LYS 48 21.840 5.452 15.077 1152 HA LYS 48 HA LYS 48 23.856 4.591 13.074 1153 HB2 LYS 48 HB1 LYS 48 21.032 5.594 12.544 1154 HB3 LYS 48 HB2 LYS 48 22.272 5.294 11.303 1155 HG2 LYS 48 HG1 LYS 48 21.133 3.173 13.129 1156 HG3 LYS 48 HG2 LYS 48 20.505 3.541 11.505 1157 HD2 LYS 48 HD1 LYS 48 23.352 2.636 11.974 1158 HD3 LYS 48 HD2 LYS 48 22.005 1.495 11.749 1159 HE2 LYS 48 HE1 LYS 48 21.529 2.882 9.576 1160 HE3 LYS 48 HE2 LYS 48 23.203 3.446 9.777 1161 HZ1 LYS 48 HZ1 LYS 48 23.077 1.522 8.358 1162 HZ2 LYS 48 HZ2 LYS 48 23.912 1.156 9.732 1163 HZ3 LYS 48 HZ3 LYS 48 22.358 0.634 9.546 1164 H GLU 49 H GLU 49 24.955 6.268 12.123 1165 HA GLU 49 HA GLU 49 24.049 9.055 12.516 1166 HB2 GLU 49 HB1 GLU 49 26.284 9.818 12.961 1167 HB3 GLU 49 HB2 GLU 49 25.770 8.622 14.175 1168 HG2 GLU 49 HG1 GLU 49 28.011 8.103 13.746 1169 HG3 GLU 49 HG2 GLU 49 27.093 6.912 12.802 1170 H SER 50 H SER 50 25.832 10.374 10.975 1171 HA SER 50 HA SER 50 26.038 11.163 8.893 1172 HB2 SER 50 HB1 SER 50 28.012 9.808 9.073 1173 HB3 SER 50 HB2 SER 50 27.132 8.362 8.519 1174 HG SER 50 HG SER 50 28.367 9.346 6.853 1175 H SER 51 H SER 51 25.048 7.864 7.941 1176 HA SER 51 HA SER 51 23.619 8.610 5.612 1177 HB2 SER 51 HB1 SER 51 24.765 6.463 5.942 1178 HB3 SER 51 HB2 SER 51 23.630 6.044 7.249 1179 HG SER 51 HG SER 51 23.061 5.093 5.236 1180 H ILE 52 H ILE 52 22.552 9.590 8.465 1181 HA ILE 52 HA ILE 52 19.774 9.411 7.438 1182 HB ILE 52 HB ILE 52 18.902 9.913 9.607 1183 HG12 ILE 52 HG13 ILE 52 20.689 9.533 11.586 1184 HG13 ILE 52 HG12 ILE 52 21.716 10.395 10.414 1185 HG21 ILE 52 HG21 ILE 52 19.429 7.782 10.754 1186 HG22 ILE 52 HG22 ILE 52 19.262 7.559 9.000 1187 HG23 ILE 52 HG23 ILE 52 20.879 7.604 9.742 1188 HD11 ILE 52 HD11 ILE 52 20.641 11.981 11.992 1189 HD12 ILE 52 HD12 ILE 52 20.070 12.239 10.329 1190 HD13 ILE 52 HD13 ILE 52 19.043 11.378 11.499 1191 H ASP 53 H ASP 53 22.414 11.620 8.373 1192 HA ASP 53 HA ASP 53 20.617 13.928 8.171 1193 HB2 ASP 53 HB1 ASP 53 22.430 13.755 9.929 1194 HB3 ASP 53 HB2 ASP 53 23.607 14.019 8.623 1195 H ASP 54 H ASP 54 23.045 12.325 6.040 1196 HA ASP 54 HA ASP 54 23.376 14.427 4.173 1197 HB2 ASP 54 HB1 ASP 54 24.643 12.352 3.985 1198 HB3 ASP 54 HB2 ASP 54 23.153 11.427 3.698 1199 H LEU 55 H LEU 55 20.838 11.905 4.314 1200 HA LEU 55 HA LEU 55 19.231 12.798 2.171 1201 HB2 LEU 55 HB1 LEU 55 18.428 11.434 4.765 1202 HB3 LEU 55 HB2 LEU 55 17.442 11.526 3.286 1203 HG LEU 55 HG LEU 55 20.156 10.188 3.489 1204 HD11 LEU 55 HD11 LEU 55 18.933 8.048 3.428 1205 HD12 LEU 55 HD12 LEU 55 18.494 9.015 4.855 1206 HD13 LEU 55 HD13 LEU 55 17.391 8.932 3.461 1207 HD21 LEU 55 HD21 LEU 55 19.621 9.197 1.292 1208 HD22 LEU 55 HD22 LEU 55 18.095 10.107 1.258 1209 HD23 LEU 55 HD23 LEU 55 19.649 10.973 1.220 1210 H MET 56 H MET 56 19.304 13.829 5.628 1211 HA MET 56 HA MET 56 17.208 15.766 5.237 1212 HB2 MET 56 HB1 MET 56 19.264 15.522 7.434 1213 HB3 MET 56 HB2 MET 56 17.845 16.596 7.452 1214 HG2 MET 56 HG1 MET 56 16.378 14.614 7.299 1215 HG3 MET 56 HG2 MET 56 17.807 13.569 7.356 1216 HE1 MET 56 HE1 MET 56 15.424 14.120 10.785 1217 HE2 MET 56 HE2 MET 56 15.004 14.874 9.225 1218 HE3 MET 56 HE3 MET 56 15.458 13.154 9.288 1219 H LYS 57 H LYS 57 20.727 15.936 4.777 1220 HA LYS 57 HA LYS 57 20.815 18.759 4.316 1221 HB2 LYS 57 HB1 LYS 57 22.622 16.456 3.867 1222 HB3 LYS 57 HB2 LYS 57 22.832 17.833 2.759 1223 HG2 LYS 57 HG1 LYS 57 24.307 18.141 4.641 1224 HG3 LYS 57 HG2 LYS 57 22.995 19.339 4.753 1225 HD2 LYS 57 HD1 LYS 57 21.829 17.705 6.330 1226 HD3 LYS 57 HD2 LYS 57 23.365 16.807 6.377 1227 HE2 LYS 57 HE1 LYS 57 23.208 18.267 8.308 1228 HE3 LYS 57 HE2 LYS 57 24.501 18.836 7.231 1229 HZ1 LYS 57 HZ1 LYS 57 23.145 20.636 8.020 1230 HZ2 LYS 57 HZ2 LYS 57 22.985 20.480 6.387 1231 HZ3 LYS 57 HZ3 LYS 57 21.786 19.952 7.387 1232 H SER 58 H SER 58 19.900 15.983 2.302 1233 HA SER 58 HA SER 58 19.379 17.455 -0.076 1234 HB2 SER 58 HB1 SER 58 19.395 14.833 0.581 1235 HB3 SER 58 HB2 SER 58 17.641 15.136 0.549 1236 HG SER 58 HG SER 58 18.470 14.488 -1.499 1237 H LEU 59 H LEU 59 17.710 17.586 2.963 1238 HA LEU 59 HA LEU 59 15.286 18.760 1.729 1239 HB2 LEU 59 HB1 LEU 59 15.962 18.321 4.656 1240 HB3 LEU 59 HB2 LEU 59 14.378 18.766 3.974 1241 HG LEU 59 HG LEU 59 15.835 16.128 3.570 1242 HD11 LEU 59 HD11 LEU 59 14.020 15.196 4.958 1243 HD12 LEU 59 HD12 LEU 59 14.941 16.437 5.840 1244 HD13 LEU 59 HD13 LEU 59 13.341 16.828 5.167 1245 HD21 LEU 59 HD21 LEU 59 13.783 15.352 2.445 1246 HD22 LEU 59 HD22 LEU 59 13.086 16.981 2.598 1247 HD23 LEU 59 HD23 LEU 59 14.523 16.719 1.582 1248 H ASP 60 H ASP 60 17.746 19.608 4.163 1249 HA ASP 60 HA ASP 60 17.548 22.336 4.372 1250 HB2 ASP 60 HB1 ASP 60 19.915 20.460 4.280 1251 HB3 ASP 60 HB2 ASP 60 20.105 22.192 4.628 1252 H LYS 61 H LYS 61 18.826 20.576 1.580 1253 HA LYS 61 HA LYS 61 20.489 22.259 0.246 1254 HB2 LYS 61 HB1 LYS 61 19.770 19.935 -0.294 1255 HB3 LYS 61 HB2 LYS 61 18.267 20.601 -0.977 1256 HG2 LYS 61 HG1 LYS 61 19.314 21.395 -2.867 1257 HG3 LYS 61 HG2 LYS 61 20.850 21.701 -2.022 1258 HD2 LYS 61 HD1 LYS 61 20.930 19.785 -3.682 1259 HD3 LYS 61 HD2 LYS 61 21.401 19.341 -2.025 1260 HE2 LYS 61 HE1 LYS 61 19.024 18.592 -1.633 1261 HE3 LYS 61 HE2 LYS 61 18.706 18.877 -3.359 1262 HZ1 LYS 61 HZ1 LYS 61 19.204 16.582 -2.914 1263 HZ2 LYS 61 HZ2 LYS 61 20.372 17.242 -3.871 1264 HZ3 LYS 61 HZ3 LYS 61 20.668 16.977 -2.270 1265 H ASN 62 H ASN 62 16.972 22.703 0.357 1266 HA ASN 62 HA ASN 62 17.415 25.364 -0.907 1267 HB2 ASN 62 HB1 ASN 62 14.963 23.593 -1.238 1268 HB3 ASN 62 HB2 ASN 62 15.182 25.219 -1.919 1269 HD21 ASN 62 HD21 ASN 62 17.157 25.468 -3.391 1270 HD22 ASN 62 HD22 ASN 62 17.545 24.117 -4.440 1271 H SER 63 H SER 63 15.536 23.391 1.352 1272 HA SER 63 HA SER 63 14.778 23.730 3.396 1273 HB2 SER 63 HB1 SER 63 16.279 26.334 3.173 1274 HB3 SER 63 HB2 SER 63 15.341 25.910 4.625 1275 HG SER 63 HG SER 63 17.536 25.226 4.753 1276 H ASP 64 H ASP 64 13.746 25.926 0.975 1277 HA ASP 64 HA ASP 64 11.568 27.088 2.638 1278 HB2 ASP 64 HB1 ASP 64 13.717 28.487 1.010 1279 HB3 ASP 64 HB2 ASP 64 12.220 29.283 1.541 1280 H GLN 65 H GLN 65 11.150 25.014 1.239 1281 HA GLN 65 HA GLN 65 9.597 25.706 -1.140 1282 HB2 GLN 65 HB1 GLN 65 12.021 23.883 -1.066 1283 HB3 GLN 65 HB2 GLN 65 10.695 23.611 -2.222 1284 HG2 GLN 65 HG1 GLN 65 11.116 26.146 -2.824 1285 HG3 GLN 65 HG2 GLN 65 12.710 25.836 -2.104 1286 HE21 GLN 65 HE12 GLN 65 13.549 23.412 -3.001 1287 HE22 GLN 65 HE22 GLN 65 13.479 23.303 -4.742 1288 H GLU 66 H GLU 66 8.070 24.029 -1.632 1289 HA GLU 66 HA GLU 66 7.344 22.710 0.846 1290 HB2 GLU 66 HB1 GLU 66 5.844 23.031 -1.760 1291 HB3 GLU 66 HB2 GLU 66 5.198 22.186 -0.331 1292 HG2 GLU 66 HG1 GLU 66 5.466 24.274 0.995 1293 HG3 GLU 66 HG2 GLU 66 6.046 25.108 -0.463 1294 H ILE 67 H ILE 67 6.648 20.760 1.153 1295 HA ILE 67 HA ILE 67 7.538 18.504 -0.554 1296 HB ILE 67 HB ILE 67 7.839 19.139 2.360 1297 HG12 ILE 67 HG13 ILE 67 9.527 17.792 0.228 1298 HG13 ILE 67 HG12 ILE 67 9.623 19.492 0.745 1299 HG21 ILE 67 HG21 ILE 67 8.251 16.803 3.002 1300 HG22 ILE 67 HG22 ILE 67 6.565 17.069 2.515 1301 HG23 ILE 67 HG23 ILE 67 7.699 16.271 1.400 1302 HD11 ILE 67 HD11 ILE 67 11.464 18.161 1.714 1303 HD12 ILE 67 HD12 ILE 67 10.374 18.774 2.972 1304 HD13 ILE 67 HD13 ILE 67 10.275 17.073 2.459 1305 H ASP 68 H ASP 68 6.140 17.071 -1.052 1306 HA ASP 68 HA ASP 68 3.390 16.944 0.041 1307 HB2 ASP 68 HB1 ASP 68 3.422 17.126 -2.308 1308 HB3 ASP 68 HB2 ASP 68 4.850 16.081 -2.466 1309 H PHE 69 H PHE 69 2.486 14.698 0.344 1310 HA PHE 69 HA PHE 69 3.741 13.177 2.270 1311 HB2 PHE 69 HB1 PHE 69 1.898 12.044 0.152 1312 HB3 PHE 69 HB2 PHE 69 2.130 11.454 1.805 1313 HD1 PHE 69 HD1 PHE 69 0.590 14.072 -0.290 1314 HD2 PHE 69 HD2 PHE 69 0.905 12.385 3.661 1315 HE1 PHE 69 HE1 PHE 69 -1.566 15.136 0.334 1316 HE2 PHE 69 HE2 PHE 69 -1.260 13.449 4.282 1317 HZ PHE 69 HZ PHE 69 -2.513 14.759 2.589 1318 H LYS 70 H LYS 70 4.355 12.919 -1.223 1319 HA LYS 70 HA LYS 70 5.210 10.200 -1.380 1320 HB2 LYS 70 HB1 LYS 70 4.568 11.688 -3.253 1321 HB3 LYS 70 HB2 LYS 70 5.993 12.702 -2.926 1322 HG2 LYS 70 HG1 LYS 70 6.606 9.870 -3.468 1323 HG3 LYS 70 HG2 LYS 70 5.833 10.734 -4.820 1324 HD2 LYS 70 HD1 LYS 70 7.986 11.206 -5.356 1325 HD3 LYS 70 HD2 LYS 70 7.745 12.530 -4.192 1326 HE2 LYS 70 HE1 LYS 70 8.738 11.091 -2.412 1327 HE3 LYS 70 HE2 LYS 70 9.061 9.846 -3.639 1328 HZ1 LYS 70 HZ1 LYS 70 10.985 11.199 -3.219 1329 HZ2 LYS 70 HZ2 LYS 70 10.468 11.415 -4.768 1330 HZ3 LYS 70 HZ3 LYS 70 10.169 12.570 -3.629 1331 H GLU 71 H GLU 71 7.002 13.256 -1.163 1332 HA GLU 71 HA GLU 71 9.641 12.359 -0.915 1333 HB2 GLU 71 HB1 GLU 71 8.165 14.730 0.292 1334 HB3 GLU 71 HB2 GLU 71 9.937 14.554 0.291 1335 HG2 GLU 71 HG1 GLU 71 8.442 14.439 -2.315 1336 HG3 GLU 71 HG2 GLU 71 8.736 16.010 -1.540 1337 H TYR 72 H TYR 72 7.142 12.987 1.529 1338 HA TYR 72 HA TYR 72 8.735 12.481 3.846 1339 HB2 TYR 72 HB1 TYR 72 6.835 13.851 4.014 1340 HB3 TYR 72 HB2 TYR 72 5.798 12.671 3.197 1341 HD1 TYR 72 HD2 TYR 72 8.066 12.293 6.190 1342 HD2 TYR 72 HD1 TYR 72 4.072 12.094 4.600 1343 HE1 TYR 72 HE2 TYR 72 7.202 11.748 8.449 1344 HE2 TYR 72 HE1 TYR 72 3.210 11.458 6.843 1345 HH TYR 72 HH TYR 72 5.361 11.394 9.739 1346 H SER 73 H SER 73 6.365 10.408 2.122 1347 HA SER 73 HA SER 73 6.693 8.066 3.663 1348 HB2 SER 73 HB1 SER 73 4.827 8.253 2.203 1349 HB3 SER 73 HB2 SER 73 5.867 8.582 0.796 1350 HG SER 73 HG SER 73 5.107 6.413 0.854 1351 H VAL 74 H VAL 74 8.404 8.972 0.535 1352 HA VAL 74 HA VAL 74 9.923 6.572 0.588 1353 HB VAL 74 HB VAL 74 11.472 7.504 -0.972 1354 HG11 VAL 74 HG11 VAL 74 9.934 7.883 -2.860 1355 HG12 VAL 74 HG12 VAL 74 9.374 6.578 -1.793 1356 HG13 VAL 74 HG13 VAL 74 8.616 8.187 -1.710 1357 HG21 VAL 74 HG21 VAL 74 11.307 9.749 -1.964 1358 HG22 VAL 74 HG22 VAL 74 10.052 10.163 -0.782 1359 HG23 VAL 74 HG23 VAL 74 11.710 9.804 -0.239 1360 H PHE 75 H PHE 75 10.457 9.702 2.221 1361 HA PHE 75 HA PHE 75 13.179 9.139 2.954 1362 HB2 PHE 75 HB1 PHE 75 11.727 11.343 2.912 1363 HB3 PHE 75 HB2 PHE 75 11.342 10.872 4.575 1364 HD1 PHE 75 HD2 PHE 75 13.288 10.567 6.239 1365 HD2 PHE 75 HD1 PHE 75 13.790 12.293 2.331 1366 HE1 PHE 75 HE2 PHE 75 15.294 11.798 7.042 1367 HE2 PHE 75 HE1 PHE 75 15.758 13.559 3.139 1368 HZ PHE 75 HZ PHE 75 16.488 13.344 5.501 1369 H LEU 76 H LEU 76 10.033 8.710 4.753 1370 HA LEU 76 HA LEU 76 11.226 7.492 7.040 1371 HB2 LEU 76 HB1 LEU 76 8.469 7.282 5.798 1372 HB3 LEU 76 HB2 LEU 76 8.907 6.492 7.332 1373 HG LEU 76 HG LEU 76 8.851 9.478 6.784 1374 HD11 LEU 76 HD11 LEU 76 6.965 9.421 8.398 1375 HD12 LEU 76 HD12 LEU 76 6.633 8.386 6.989 1376 HD13 LEU 76 HD13 LEU 76 7.133 7.654 8.531 1377 HD21 LEU 76 HD21 LEU 76 9.311 9.744 9.201 1378 HD22 LEU 76 HD22 LEU 76 9.491 7.981 9.359 1379 HD23 LEU 76 HD23 LEU 76 10.650 8.911 8.380 1380 H THR 77 H THR 77 9.961 6.085 4.003 1381 HA THR 77 HA THR 77 10.293 3.335 4.720 1382 HB THR 77 HB THR 77 10.253 4.572 1.945 1383 HG1 THR 77 HG1 THR 77 7.993 4.161 2.149 1384 HG21 THR 77 HG21 THR 77 9.249 2.391 1.316 1385 HG22 THR 77 HG22 THR 77 10.865 2.168 2.024 1386 HG23 THR 77 HG23 THR 77 9.411 1.836 2.998 1387 H MET 78 H MET 78 12.367 5.655 2.970 1388 HA MET 78 HA MET 78 14.567 3.946 2.444 1389 HB2 MET 78 HB1 MET 78 14.270 6.056 1.325 1390 HB3 MET 78 HB2 MET 78 14.341 6.936 2.871 1391 HG2 MET 78 HG1 MET 78 16.646 6.639 3.073 1392 HG3 MET 78 HG2 MET 78 16.679 5.326 1.884 1393 HE1 MET 78 HE1 MET 78 15.689 9.665 0.493 1394 HE2 MET 78 HE2 MET 78 14.512 8.508 1.148 1395 HE3 MET 78 HE3 MET 78 15.748 9.221 2.212 1396 H LEU 79 H LEU 79 13.876 6.041 5.331 1397 HA LEU 79 HA LEU 79 16.331 5.331 6.619 1398 HB2 LEU 79 HB1 LEU 79 13.954 6.907 7.233 1399 HB3 LEU 79 HB2 LEU 79 14.614 6.063 8.654 1400 HG LEU 79 HG LEU 79 16.752 7.082 8.380 1401 HD11 LEU 79 HD11 LEU 79 17.351 8.658 6.577 1402 HD12 LEU 79 HD12 LEU 79 16.978 7.044 5.940 1403 HD13 LEU 79 HD13 LEU 79 15.783 8.356 5.801 1404 HD21 LEU 79 HD21 LEU 79 16.198 9.478 8.646 1405 HD22 LEU 79 HD22 LEU 79 14.594 9.182 7.936 1406 HD23 LEU 79 HD23 LEU 79 15.028 8.439 9.494 1407 H CYS 80 H CYS 80 13.020 3.880 6.918 1408 HA CYS 80 HA CYS 80 13.740 1.849 8.754 1409 HB2 CYS 80 HB1 CYS 80 11.460 2.441 8.064 1410 HB3 CYS 80 HB2 CYS 80 11.791 1.851 6.416 1411 HG CYS 80 HG CYS 80 10.271 0.144 7.684 1412 H MET 81 H MET 81 14.132 1.932 5.184 1413 HA MET 81 HA MET 81 15.358 -0.653 4.976 1414 HB2 MET 81 HB1 MET 81 14.148 0.632 3.191 1415 HB3 MET 81 HB2 MET 81 15.546 1.730 3.107 1416 HG2 MET 81 HG1 MET 81 16.976 0.009 2.309 1417 HG3 MET 81 HG2 MET 81 15.812 -1.260 2.720 1418 HE1 MET 81 HE1 MET 81 13.285 -1.370 -0.047 1419 HE2 MET 81 HE2 MET 81 14.196 -2.271 1.189 1420 HE3 MET 81 HE3 MET 81 13.172 -0.896 1.665 1421 H ALA 82 H ALA 82 16.612 2.386 6.053 1422 HA ALA 82 HA ALA 82 19.380 1.886 5.336 1423 HB1 ALA 82 HB1 ALA 82 19.780 4.060 6.442 1424 HB2 ALA 82 HB2 ALA 82 18.431 4.155 5.287 1425 HB3 ALA 82 HB3 ALA 82 18.103 4.065 7.034 1426 H TYR 83 H TYR 83 17.501 0.634 7.886 1427 HA TYR 83 HA TYR 83 19.836 -0.145 9.344 1428 HB2 TYR 83 HB1 TYR 83 19.191 0.944 11.512 1429 HB3 TYR 83 HB2 TYR 83 19.899 1.978 10.260 1430 HD1 TYR 83 HD2 TYR 83 16.592 1.025 11.782 1431 HD2 TYR 83 HD1 TYR 83 18.936 4.009 9.752 1432 HE1 TYR 83 HE2 TYR 83 14.725 2.646 12.022 1433 HE2 TYR 83 HE1 TYR 83 17.145 5.688 10.139 1434 HH TYR 83 HH TYR 83 14.010 4.797 11.648 1435 H ASN 84 H ASN 84 16.393 -0.659 8.884 1436 HA ASN 84 HA ASN 84 16.221 -2.312 11.276 1437 HB2 ASN 84 HB1 ASN 84 14.358 -1.912 8.942 1438 HB3 ASN 84 HB2 ASN 84 14.053 -3.122 10.208 1439 HD21 ASN 84 HD21 ASN 84 12.030 -1.567 10.237 1440 HD22 ASN 84 HD22 ASN 84 12.112 -0.267 11.417 1441 H ASP 85 H ASP 85 18.168 -3.500 10.964 1442 HA ASP 85 HA ASP 85 18.550 -5.468 8.929 1443 HB2 ASP 85 HB1 ASP 85 20.400 -6.190 10.285 1444 HB3 ASP 85 HB2 ASP 85 20.321 -4.416 10.359 1445 H PHE 86 H PHE 86 16.786 -5.529 11.986 1446 HA PHE 86 HA PHE 86 16.762 -8.303 12.461 1447 HB2 PHE 86 HB1 PHE 86 14.824 -6.111 13.254 1448 HB3 PHE 86 HB2 PHE 86 14.809 -7.749 13.927 1449 HD1 PHE 86 HD2 PHE 86 17.104 -8.574 14.954 1450 HD2 PHE 86 HD1 PHE 86 16.029 -4.446 14.374 1451 HE1 PHE 86 HE2 PHE 86 18.809 -7.895 16.630 1452 HE2 PHE 86 HE1 PHE 86 17.724 -3.765 16.059 1453 HZ PHE 86 HZ PHE 86 19.128 -5.489 17.175 1454 H PHE 87 H PHE 87 15.221 -6.867 9.765 1455 HA PHE 87 HA PHE 87 13.759 -9.420 9.507 1456 HB2 PHE 87 HB1 PHE 87 11.853 -8.543 8.672 1457 HB3 PHE 87 HB2 PHE 87 12.309 -7.359 9.908 1458 HD1 PHE 87 HD1 PHE 87 13.657 -5.237 8.990 1459 HD2 PHE 87 HD2 PHE 87 11.117 -7.788 6.635 1460 HE1 PHE 87 HE1 PHE 87 13.410 -3.434 7.295 1461 HE2 PHE 87 HE2 PHE 87 10.849 -5.982 4.954 1462 HZ PHE 87 HZ PHE 87 12.015 -3.806 5.271 1463 H LEU 88 H LEU 88 16.489 -8.433 8.567 1464 HA LEU 88 HA LEU 88 16.243 -9.008 5.654 1465 HB2 LEU 88 HB1 LEU 88 17.657 -7.003 7.323 1466 HB3 LEU 88 HB2 LEU 88 18.656 -7.732 6.042 1467 HG LEU 88 HG LEU 88 17.470 -5.570 5.508 1468 HD11 LEU 88 HD11 LEU 88 17.015 -6.274 3.182 1469 HD12 LEU 88 HD12 LEU 88 18.483 -7.042 3.827 1470 HD13 LEU 88 HD13 LEU 88 16.968 -7.970 3.713 1471 HD21 LEU 88 HD21 LEU 88 15.141 -5.644 4.690 1472 HD22 LEU 88 HD22 LEU 88 15.010 -7.321 5.253 1473 HD23 LEU 88 HD23 LEU 88 15.244 -6.001 6.425 1474 H GLU 89 H GLU 89 18.695 -9.457 4.936 1475 HA GLU 89 HA GLU 89 19.525 -12.053 6.066 1476 HB2 GLU 89 HB1 GLU 89 19.883 -10.517 3.484 1477 HB3 GLU 89 HB2 GLU 89 20.980 -11.861 3.880 1478 HG2 GLU 89 HG1 GLU 89 19.191 -12.602 2.414 1479 HG3 GLU 89 HG2 GLU 89 19.084 -13.394 4.001 1480 H ASP 90 H ASP 90 20.483 -8.756 6.135 1481 HA ASP 90 HA ASP 90 23.271 -9.323 6.853 1482 HB2 ASP 90 HB1 ASP 90 24.155 -7.936 5.091 1483 HB3 ASP 90 HB2 ASP 90 23.125 -9.198 4.378 1484 H ASN 91 H ASN 91 24.466 -7.548 7.696 1485 HA ASN 91 HA ASN 91 22.877 -5.939 9.480 1486 HB2 ASN 91 HB1 ASN 91 25.206 -5.172 10.239 1487 HB3 ASN 91 HB2 ASN 91 24.723 -6.864 10.492 1488 HD21 ASN 91 HD21 ASN 91 26.453 -4.892 7.983 1489 HD22 ASN 91 HD22 ASN 91 27.696 -6.100 7.690 1490 H LYS 92 H LYS 92 21.728 -4.443 8.399 1491 HA LYS 92 HA LYS 92 22.694 -2.676 6.385 1492 HB2 LYS 92 HB1 LYS 92 20.299 -2.043 8.091 1493 HB3 LYS 92 HB2 LYS 92 20.576 -1.715 6.365 1494 HG2 LYS 92 HG1 LYS 92 19.859 -4.341 7.670 1495 HG3 LYS 92 HG2 LYS 92 18.875 -3.364 6.553 1496 HD2 LYS 92 HD1 LYS 92 21.472 -4.698 5.765 1497 HD3 LYS 92 HD2 LYS 92 19.875 -5.468 5.599 1498 HE2 LYS 92 HE1 LYS 92 19.167 -3.674 4.069 1499 HE3 LYS 92 HE2 LYS 92 20.755 -2.895 4.243 1500 HZ1 LYS 92 HZ1 LYS 92 20.661 -4.307 2.314 1501 HZ2 LYS 92 HZ2 LYS 92 21.760 -4.903 3.394 1502 HZ3 LYS 92 HZ3 LYS 92 20.286 -5.626 3.235 Start of MODEL 8 1 HA MET 1 HA MET 1 13.595 3.015 21.343 2 HB2 MET 1 HB1 MET 1 13.912 5.269 20.164 3 HB3 MET 1 HB2 MET 1 12.203 5.576 20.549 4 HG2 MET 1 HG1 MET 1 12.671 5.187 22.941 5 HG3 MET 1 HG2 MET 1 14.371 4.865 22.563 6 HE1 MET 1 HE1 MET 1 12.256 8.981 22.755 7 HE2 MET 1 HE2 MET 1 11.621 7.674 21.734 8 HE3 MET 1 HE3 MET 1 11.710 7.463 23.499 9 H GLU 2 H GLU 2 11.090 4.742 22.450 10 HA GLU 2 HA GLU 2 8.913 3.206 21.119 11 HB2 GLU 2 HB1 GLU 2 9.228 3.878 24.038 12 HB3 GLU 2 HB2 GLU 2 7.603 3.919 23.313 13 HG2 GLU 2 HG1 GLU 2 9.494 1.549 23.142 14 HG3 GLU 2 HG2 GLU 2 8.229 1.726 24.377 15 H THR 3 H THR 3 8.048 4.582 19.769 16 HA THR 3 HA THR 3 6.994 7.134 20.661 17 HB THR 3 HB THR 3 8.123 8.603 19.534 18 HG1 THR 3 HG1 THR 3 8.728 8.327 17.351 19 HG21 THR 3 HG21 THR 3 10.479 8.268 18.871 20 HG22 THR 3 HG22 THR 3 10.116 7.525 20.435 21 HG23 THR 3 HG23 THR 3 10.240 6.518 18.973 22 HA PRO 4 HA PRO 4 3.584 5.805 18.493 23 HB2 PRO 4 HB1 PRO 4 2.377 7.969 17.282 24 HB3 PRO 4 HB2 PRO 4 2.482 7.739 19.059 25 HG2 PRO 4 HG1 PRO 4 4.316 9.377 17.297 26 HG3 PRO 4 HG2 PRO 4 3.522 9.883 18.824 27 HD2 PRO 4 HD1 PRO 4 6.092 8.998 18.797 28 HD3 PRO 4 HD2 PRO 4 4.984 8.515 20.116 29 H LEU 5 H LEU 5 5.622 7.705 16.199 30 HA LEU 5 HA LEU 5 4.364 6.596 13.863 31 HB2 LEU 5 HB1 LEU 5 5.567 8.737 13.887 32 HB3 LEU 5 HB2 LEU 5 7.094 7.863 14.155 33 HG LEU 5 HG LEU 5 6.552 8.718 11.827 34 HD11 LEU 5 HD11 LEU 5 7.674 6.873 10.669 35 HD12 LEU 5 HD12 LEU 5 8.420 7.241 12.237 36 HD13 LEU 5 HD13 LEU 5 7.359 5.822 12.063 37 HD21 LEU 5 HD21 LEU 5 5.223 7.325 10.311 38 HD22 LEU 5 HD22 LEU 5 4.751 6.302 11.683 39 HD23 LEU 5 HD23 LEU 5 4.250 8.009 11.629 40 H GLU 6 H GLU 6 7.186 5.578 15.842 41 HA GLU 6 HA GLU 6 8.106 3.476 14.256 42 HB2 GLU 6 HB1 GLU 6 7.757 3.333 17.272 43 HB3 GLU 6 HB2 GLU 6 8.882 2.381 16.276 44 HG2 GLU 6 HG1 GLU 6 9.898 4.640 15.587 45 HG3 GLU 6 HG2 GLU 6 8.982 5.326 16.946 46 H LYS 7 H LYS 7 5.067 3.633 16.132 47 HA LYS 7 HA LYS 7 4.627 0.755 15.944 48 HB2 LYS 7 HB1 LYS 7 2.460 2.724 16.608 49 HB3 LYS 7 HB2 LYS 7 2.727 1.076 17.223 50 HG2 LYS 7 HG1 LYS 7 4.152 3.620 18.010 51 HG3 LYS 7 HG2 LYS 7 3.090 2.598 19.008 52 HD2 LYS 7 HD1 LYS 7 5.761 1.639 17.964 53 HD3 LYS 7 HD2 LYS 7 5.583 2.518 19.502 54 HE2 LYS 7 HE1 LYS 7 3.983 0.754 20.267 55 HE3 LYS 7 HE2 LYS 7 4.303 -0.142 18.768 56 HZ1 LYS 7 HZ1 LYS 7 5.674 -0.908 20.569 57 HZ2 LYS 7 HZ2 LYS 7 6.613 -0.235 19.391 58 HZ3 LYS 7 HZ3 LYS 7 6.317 0.597 20.784 59 H ALA 8 H ALA 8 3.811 3.574 14.058 60 HA ALA 8 HA ALA 8 1.905 2.272 12.297 61 HB1 ALA 8 HB1 ALA 8 1.995 4.428 11.131 62 HB2 ALA 8 HB2 ALA 8 1.761 4.644 12.882 63 HB3 ALA 8 HB3 ALA 8 3.361 4.932 12.158 64 H LEU 9 H LEU 9 5.329 3.507 11.761 65 HA LEU 9 HA LEU 9 5.793 2.043 9.410 66 HB2 LEU 9 HB1 LEU 9 7.421 3.251 11.551 67 HB3 LEU 9 HB2 LEU 9 8.217 1.923 10.671 68 HG LEU 9 HG LEU 9 8.671 4.236 9.800 69 HD11 LEU 9 HD11 LEU 9 8.466 3.626 7.405 70 HD12 LEU 9 HD12 LEU 9 9.012 2.248 8.383 71 HD13 LEU 9 HD13 LEU 9 7.321 2.339 7.839 72 HD21 LEU 9 HD21 LEU 9 6.982 5.339 8.365 73 HD22 LEU 9 HD22 LEU 9 5.797 4.097 8.818 74 HD23 LEU 9 HD23 LEU 9 6.429 5.218 10.048 75 H THR 10 H THR 10 6.133 0.799 12.830 76 HA THR 10 HA THR 10 6.767 -1.857 12.199 77 HB THR 10 HB THR 10 4.941 -0.867 14.403 78 HG1 THR 10 HG1 THR 10 6.881 -1.263 15.578 79 HG21 THR 10 HG21 THR 10 5.403 -3.050 15.507 80 HG22 THR 10 HG22 THR 10 4.537 -3.283 13.974 81 HG23 THR 10 HG23 THR 10 6.288 -3.585 14.061 82 H THR 11 H THR 11 3.417 -0.445 12.415 83 HA THR 11 HA THR 11 2.077 -2.775 11.588 84 HB THR 11 HB THR 11 1.302 0.112 11.098 85 HG1 THR 11 HG1 THR 11 0.093 -0.297 13.014 86 HG21 THR 11 HG21 THR 11 -1.020 -0.755 10.978 87 HG22 THR 11 HG22 THR 11 -0.013 -1.436 9.683 88 HG23 THR 11 HG23 THR 11 -0.403 -2.415 11.117 89 H MET 12 H MET 12 3.549 -0.189 9.514 90 HA MET 12 HA MET 12 2.656 -1.300 7.056 91 HB2 MET 12 HB1 MET 12 5.116 0.357 7.676 92 HB3 MET 12 HB2 MET 12 4.560 -0.050 6.035 93 HG2 MET 12 HG1 MET 12 2.430 1.122 6.479 94 HG3 MET 12 HG2 MET 12 3.006 1.545 8.100 95 HE1 MET 12 HE1 MET 12 3.014 4.549 5.147 96 HE2 MET 12 HE2 MET 12 2.286 2.949 4.858 97 HE3 MET 12 HE3 MET 12 1.938 3.825 6.368 98 H VAL 13 H VAL 13 5.792 -1.912 8.845 99 HA VAL 13 HA VAL 13 6.646 -3.757 6.814 100 HB VAL 13 HB VAL 13 8.371 -4.561 8.331 101 HG11 VAL 13 HG11 VAL 13 9.688 -2.470 8.438 102 HG12 VAL 13 HG12 VAL 13 8.786 -2.604 6.913 103 HG13 VAL 13 HG13 VAL 13 8.200 -1.532 8.208 104 HG21 VAL 13 HG21 VAL 13 8.833 -3.496 10.505 105 HG22 VAL 13 HG22 VAL 13 7.314 -2.590 10.370 106 HG23 VAL 13 HG23 VAL 13 7.286 -4.363 10.508 107 H THR 14 H THR 14 4.813 -4.216 9.849 108 HA THR 14 HA THR 14 4.782 -7.064 9.834 109 HB THR 14 HB THR 14 2.692 -5.115 10.864 110 HG1 THR 14 HG1 THR 14 3.827 -5.516 12.824 111 HG21 THR 14 HG21 THR 14 2.040 -6.959 12.393 112 HG22 THR 14 HG22 THR 14 1.806 -7.423 10.693 113 HG23 THR 14 HG23 THR 14 3.217 -8.028 11.597 114 H THR 15 H THR 15 2.401 -4.702 8.422 115 HA THR 15 HA THR 15 0.778 -6.745 7.296 116 HB THR 15 HB THR 15 -0.068 -4.877 5.757 117 HG1 THR 15 HG1 THR 15 0.384 -2.792 6.574 118 HG21 THR 15 HG21 THR 15 -1.398 -3.941 7.619 119 HG22 THR 15 HG22 THR 15 -1.212 -5.702 7.777 120 HG23 THR 15 HG23 THR 15 -0.231 -4.608 8.782 121 H PHE 16 H PHE 16 3.576 -5.019 5.886 122 HA PHE 16 HA PHE 16 3.469 -6.259 3.326 123 HB2 PHE 16 HB1 PHE 16 4.754 -4.255 4.032 124 HB3 PHE 16 HB2 PHE 16 5.810 -5.297 4.999 125 HD1 PHE 16 HD2 PHE 16 7.487 -6.721 3.952 126 HD2 PHE 16 HD1 PHE 16 4.939 -4.179 1.593 127 HE1 PHE 16 HE2 PHE 16 9.062 -6.900 2.045 128 HE2 PHE 16 HE1 PHE 16 6.594 -4.238 -0.264 129 HZ PHE 16 HZ PHE 16 8.661 -5.600 -0.034 130 H HIS 17 H HIS 17 5.119 -7.353 6.353 131 HA HIS 17 HA HIS 17 6.208 -9.736 5.108 132 HB2 HIS 17 HB1 HIS 17 7.183 -8.300 7.000 133 HB3 HIS 17 HB2 HIS 17 6.063 -9.170 8.065 134 HD1 HIS 17 HD1 HIS 17 6.625 -12.086 6.551 135 HD2 HIS 17 HD2 HIS 17 9.396 -9.320 8.041 136 HE1 HIS 17 HE1 HIS 17 8.776 -13.381 6.985 137 HE2 HIS 17 HE2 HIS 17 10.460 -11.734 8.011 138 H LYS 18 H LYS 18 3.121 -9.051 6.595 139 HA LYS 18 HA LYS 18 2.186 -11.690 7.044 140 HB2 LYS 18 HB1 LYS 18 1.233 -9.221 7.302 141 HB3 LYS 18 HB2 LYS 18 0.505 -9.596 5.722 142 HG2 LYS 18 HG1 LYS 18 0.073 -11.289 8.183 143 HG3 LYS 18 HG2 LYS 18 -0.956 -9.900 7.757 144 HD2 LYS 18 HD1 LYS 18 -1.284 -11.132 5.492 145 HD3 LYS 18 HD2 LYS 18 -0.677 -12.560 6.364 146 HE2 LYS 18 HE1 LYS 18 -3.059 -12.636 6.538 147 HE3 LYS 18 HE2 LYS 18 -2.461 -12.099 8.123 148 HZ1 LYS 18 HZ1 LYS 18 -4.326 -10.797 7.389 149 HZ2 LYS 18 HZ2 LYS 18 -2.979 -9.853 7.486 150 HZ3 LYS 18 HZ3 LYS 18 -3.534 -10.351 6.015 151 H TYR 19 H TYR 19 3.520 -10.445 4.228 152 HA TYR 19 HA TYR 19 2.393 -12.518 2.450 153 HB2 TYR 19 HB1 TYR 19 2.695 -9.548 1.911 154 HB3 TYR 19 HB2 TYR 19 2.383 -10.760 0.658 155 HD1 TYR 19 HD2 TYR 19 0.164 -11.922 0.549 156 HD2 TYR 19 HD1 TYR 19 0.990 -8.892 3.485 157 HE1 TYR 19 HE2 TYR 19 -2.209 -11.986 1.286 158 HE2 TYR 19 HE1 TYR 19 -1.411 -8.815 4.096 159 HH TYR 19 HH TYR 19 -3.768 -11.177 2.751 160 H SER 20 H SER 20 4.955 -9.965 2.562 161 HA SER 20 HA SER 20 6.893 -11.069 1.011 162 HB2 SER 20 HB1 SER 20 6.971 -8.823 1.939 163 HB3 SER 20 HB2 SER 20 7.379 -9.490 3.539 164 HG SER 20 HG SER 20 9.227 -8.783 2.370 165 H GLY 21 H GLY 21 7.233 -12.888 0.900 166 HA2 GLY 21 HA2 GLY 21 8.729 -14.189 1.113 167 H ARG 22 H ARG 22 8.285 -17.024 1.033 168 HA ARG 22 HA ARG 22 7.294 -18.399 -0.518 169 HB2 ARG 22 HB1 ARG 22 5.532 -16.181 -1.596 170 HB3 ARG 22 HB2 ARG 22 5.342 -17.942 -1.783 171 HG2 ARG 22 HG1 ARG 22 4.107 -18.107 0.071 172 HG3 ARG 22 HG2 ARG 22 5.234 -17.104 1.015 173 HD2 ARG 22 HD1 ARG 22 4.114 -15.106 -0.311 174 HD3 ARG 22 HD2 ARG 22 2.793 -16.268 -0.562 175 HE ARG 22 HE ARG 22 3.714 -16.190 2.184 176 HH11 ARG 22 HH12 ARG 22 1.457 -14.580 -0.012 177 HH12 ARG 22 HH11 ARG 22 0.499 -13.950 1.300 178 HH21 ARG 22 HH22 ARG 22 2.479 -15.325 3.795 179 HH22 ARG 22 HH21 ARG 22 1.068 -14.365 3.417 180 H GLU 23 H GLU 23 7.288 -15.133 -1.793 181 HA GLU 23 HA GLU 23 8.942 -15.403 -4.091 182 HB2 GLU 23 HB1 GLU 23 8.767 -12.867 -2.511 183 HB3 GLU 23 HB2 GLU 23 8.647 -13.129 -4.268 184 HG2 GLU 23 HG1 GLU 23 6.448 -13.749 -2.279 185 HG3 GLU 23 HG2 GLU 23 6.582 -12.235 -3.198 186 H GLY 24 H GLY 24 10.971 -13.518 -3.872 187 HA2 GLY 24 HA2 GLY 24 12.327 -15.144 -2.296 188 H SER 25 H SER 25 11.568 -12.682 -1.128 189 HA SER 25 HA SER 25 13.477 -13.308 0.960 190 HB2 SER 25 HB1 SER 25 14.704 -11.352 1.113 191 HB3 SER 25 HB2 SER 25 14.561 -11.550 -0.650 192 HG SER 25 HG SER 25 14.095 -9.410 0.048 193 H LYS 26 H LYS 26 13.231 -12.003 2.966 194 HA LYS 26 HA LYS 26 10.445 -11.571 3.694 195 HB2 LYS 26 HB1 LYS 26 13.041 -11.198 5.237 196 HB3 LYS 26 HB2 LYS 26 11.406 -11.173 5.940 197 HG2 LYS 26 HG1 LYS 26 11.133 -13.548 5.042 198 HG3 LYS 26 HG2 LYS 26 12.882 -13.521 4.711 199 HD2 LYS 26 HD1 LYS 26 11.503 -13.296 7.406 200 HD3 LYS 26 HD2 LYS 26 12.535 -14.623 6.821 201 HE2 LYS 26 HE1 LYS 26 14.461 -13.029 6.749 202 HE3 LYS 26 HE2 LYS 26 13.413 -11.782 7.461 203 HZ1 LYS 26 HZ1 LYS 26 14.718 -12.898 9.119 204 HZ2 LYS 26 HZ2 LYS 26 13.115 -13.205 9.358 205 HZ3 LYS 26 HZ3 LYS 26 14.088 -14.363 8.699 206 H LEU 27 H LEU 27 12.449 -9.572 2.033 207 HA LEU 27 HA LEU 27 11.212 -7.101 3.133 208 HB2 LEU 27 HB1 LEU 27 14.008 -7.506 2.025 209 HB3 LEU 27 HB2 LEU 27 13.283 -5.916 2.365 210 HG LEU 27 HG LEU 27 13.765 -8.088 4.437 211 HD11 LEU 27 HD11 LEU 27 15.639 -6.644 5.181 212 HD12 LEU 27 HD12 LEU 27 15.867 -7.176 3.500 213 HD13 LEU 27 HD13 LEU 27 15.305 -5.524 3.839 214 HD21 LEU 27 HD21 LEU 27 13.355 -6.300 6.105 215 HD22 LEU 27 HD22 LEU 27 13.001 -5.159 4.789 216 HD23 LEU 27 HD23 LEU 27 11.932 -6.555 5.071 217 H THR 28 H THR 28 11.260 -9.179 0.524 218 HA THR 28 HA THR 28 10.121 -7.088 -1.241 219 HB THR 28 HB THR 28 10.884 -8.426 -3.202 220 HG1 THR 28 HG1 THR 28 12.643 -9.854 -2.829 221 HG21 THR 28 HG21 THR 28 13.223 -7.612 -3.168 222 HG22 THR 28 HG22 THR 28 12.106 -6.399 -2.508 223 HG23 THR 28 HG23 THR 28 13.107 -7.379 -1.409 224 H LEU 29 H LEU 29 8.461 -7.852 -2.722 225 HA LEU 29 HA LEU 29 7.607 -10.600 -2.666 226 HB2 LEU 29 HB1 LEU 29 5.509 -10.497 -1.735 227 HB3 LEU 29 HB2 LEU 29 6.490 -9.507 -0.628 228 HG LEU 29 HG LEU 29 4.611 -8.440 -2.765 229 HD11 LEU 29 HD11 LEU 29 3.201 -7.798 -0.834 230 HD12 LEU 29 HD12 LEU 29 3.456 -9.559 -0.888 231 HD13 LEU 29 HD13 LEU 29 4.369 -8.562 0.271 232 HD21 LEU 29 HD21 LEU 29 4.949 -6.244 -1.684 233 HD22 LEU 29 HD22 LEU 29 6.131 -6.974 -0.576 234 HD23 LEU 29 HD23 LEU 29 6.475 -6.892 -2.321 235 H SER 30 H SER 30 5.607 -10.921 -4.268 236 HA SER 30 HA SER 30 6.385 -9.450 -6.611 237 HB2 SER 30 HB1 SER 30 4.557 -10.598 -7.810 238 HB3 SER 30 HB2 SER 30 5.643 -11.708 -6.941 239 HG SER 30 HG SER 30 3.424 -12.219 -6.645 240 H ARG 31 H ARG 31 5.356 -7.989 -7.844 241 HA ARG 31 HA ARG 31 3.651 -6.008 -6.761 242 HB2 ARG 31 HB1 ARG 31 5.345 -6.138 -8.762 243 HB3 ARG 31 HB2 ARG 31 3.904 -6.604 -9.696 244 HG2 ARG 31 HG1 ARG 31 3.068 -4.501 -9.701 245 HG3 ARG 31 HG2 ARG 31 3.574 -4.183 -8.025 246 HD2 ARG 31 HD1 ARG 31 6.005 -4.163 -9.079 247 HD3 ARG 31 HD2 ARG 31 5.131 -3.843 -10.593 248 HE ARG 31 HE ARG 31 4.060 -1.961 -9.002 249 HH11 ARG 31 HH12 ARG 31 7.400 -2.581 -9.949 250 HH12 ARG 31 HH11 ARG 31 7.972 -1.060 -9.318 251 HH21 ARG 31 HH22 ARG 31 4.924 -0.131 -7.962 252 HH22 ARG 31 HH21 ARG 31 6.599 0.294 -8.216 253 H LYS 32 H LYS 32 2.892 -9.048 -8.437 254 HA LYS 32 HA LYS 32 0.069 -8.802 -8.557 255 HB2 LYS 32 HB1 LYS 32 2.095 -10.742 -9.038 256 HB3 LYS 32 HB2 LYS 32 0.920 -11.492 -7.932 257 HG2 LYS 32 HG1 LYS 32 -0.716 -11.581 -9.515 258 HG3 LYS 32 HG2 LYS 32 -0.253 -10.020 -10.235 259 HD2 LYS 32 HD1 LYS 32 1.702 -11.124 -11.318 260 HD3 LYS 32 HD2 LYS 32 1.177 -12.684 -10.640 261 HE2 LYS 32 HE1 LYS 32 -0.695 -12.813 -12.035 262 HE3 LYS 32 HE2 LYS 32 -0.758 -11.056 -12.289 263 HZ1 LYS 32 HZ1 LYS 32 0.042 -12.205 -14.223 264 HZ2 LYS 32 HZ2 LYS 32 1.230 -11.240 -13.609 265 HZ3 LYS 32 HZ3 LYS 32 1.288 -12.870 -13.373 266 H GLU 33 H GLU 33 2.094 -10.236 -5.895 267 HA GLU 33 HA GLU 33 -0.190 -10.740 -4.242 268 HB2 GLU 33 HB1 GLU 33 1.857 -12.077 -4.105 269 HB3 GLU 33 HB2 GLU 33 2.756 -10.662 -3.507 270 HG2 GLU 33 HG1 GLU 33 1.585 -10.621 -1.471 271 HG3 GLU 33 HG2 GLU 33 0.252 -11.609 -2.108 272 H LEU 34 H LEU 34 2.167 -7.968 -4.258 273 HA LEU 34 HA LEU 34 1.185 -6.673 -1.963 274 HB2 LEU 34 HB1 LEU 34 3.230 -6.028 -3.293 275 HB3 LEU 34 HB2 LEU 34 2.150 -5.302 -4.506 276 HG LEU 34 HG LEU 34 1.130 -3.976 -2.552 277 HD11 LEU 34 HD11 LEU 34 2.568 -3.613 -0.573 278 HD12 LEU 34 HD12 LEU 34 2.080 -5.316 -0.725 279 HD13 LEU 34 HD13 LEU 34 3.721 -4.814 -1.197 280 HD21 LEU 34 HD21 LEU 34 2.827 -2.191 -2.622 281 HD22 LEU 34 HD22 LEU 34 3.997 -3.339 -3.305 282 HD23 LEU 34 HD23 LEU 34 2.542 -2.893 -4.229 283 H LYS 35 H LYS 35 0.006 -6.383 -5.368 284 HA LYS 35 HA LYS 35 -2.093 -4.572 -4.925 285 HB2 LYS 35 HB1 LYS 35 -1.223 -5.458 -7.099 286 HB3 LYS 35 HB2 LYS 35 -2.040 -7.001 -6.755 287 HG2 LYS 35 HG1 LYS 35 -4.169 -5.442 -6.478 288 HG3 LYS 35 HG2 LYS 35 -3.218 -4.334 -7.495 289 HD2 LYS 35 HD1 LYS 35 -4.437 -5.601 -9.058 290 HD3 LYS 35 HD2 LYS 35 -2.847 -6.399 -9.026 291 HE2 LYS 35 HE1 LYS 35 -3.724 -8.113 -7.481 292 HE3 LYS 35 HE2 LYS 35 -5.306 -7.304 -7.462 293 HZ1 LYS 35 HZ1 LYS 35 -5.259 -9.128 -9.000 294 HZ2 LYS 35 HZ2 LYS 35 -5.468 -7.708 -9.815 295 HZ3 LYS 35 HZ3 LYS 35 -4.000 -8.459 -9.832 296 H GLU 36 H GLU 36 -2.148 -8.175 -4.606 297 HA GLU 36 HA GLU 36 -4.851 -8.424 -3.853 298 HB2 GLU 36 HB1 GLU 36 -3.355 -10.340 -4.467 299 HB3 GLU 36 HB2 GLU 36 -2.523 -10.151 -2.905 300 HG2 GLU 36 HG1 GLU 36 -4.117 -11.778 -2.404 301 HG3 GLU 36 HG2 GLU 36 -4.927 -10.283 -1.887 302 H LEU 37 H LEU 37 -1.923 -8.009 -1.813 303 HA LEU 37 HA LEU 37 -3.047 -8.287 0.714 304 HB2 LEU 37 HB1 LEU 37 -0.896 -8.304 1.072 305 HB3 LEU 37 HB2 LEU 37 -0.586 -7.578 -0.524 306 HG LEU 37 HG LEU 37 -0.601 -5.363 0.484 307 HD11 LEU 37 HD11 LEU 37 -0.332 -5.017 2.922 308 HD12 LEU 37 HD12 LEU 37 -1.929 -5.676 2.528 309 HD13 LEU 37 HD13 LEU 37 -0.660 -6.738 3.185 310 HD21 LEU 37 HD21 LEU 37 1.599 -5.601 1.639 311 HD22 LEU 37 HD22 LEU 37 1.291 -7.337 1.847 312 HD23 LEU 37 HD23 LEU 37 1.503 -6.658 0.216 313 H ILE 38 H ILE 38 -2.942 -5.382 -1.303 314 HA ILE 38 HA ILE 38 -3.925 -3.588 0.712 315 HB ILE 38 HB ILE 38 -3.644 -3.496 -2.289 316 HG12 ILE 38 HG13 ILE 38 -2.194 -1.969 -0.086 317 HG13 ILE 38 HG12 ILE 38 -1.650 -3.553 -0.690 318 HG21 ILE 38 HG21 ILE 38 -4.083 -1.064 -2.205 319 HG22 ILE 38 HG22 ILE 38 -5.514 -2.000 -1.723 320 HG23 ILE 38 HG23 ILE 38 -4.510 -1.205 -0.487 321 HD11 ILE 38 HD11 ILE 38 -0.418 -1.713 -1.783 322 HD12 ILE 38 HD12 ILE 38 -1.409 -2.610 -2.953 323 HD13 ILE 38 HD13 ILE 38 -1.956 -1.027 -2.351 324 H LYS 39 H LYS 39 -5.672 -5.721 -1.576 325 HA LYS 39 HA LYS 39 -8.229 -4.805 -0.477 326 HB2 LYS 39 HB1 LYS 39 -7.275 -6.524 -2.696 327 HB3 LYS 39 HB2 LYS 39 -8.818 -7.012 -1.956 328 HG2 LYS 39 HG1 LYS 39 -9.538 -5.565 -3.610 329 HG3 LYS 39 HG2 LYS 39 -9.428 -4.477 -2.205 330 HD2 LYS 39 HD1 LYS 39 -7.127 -3.823 -3.040 331 HD3 LYS 39 HD2 LYS 39 -7.504 -4.720 -4.530 332 HE2 LYS 39 HE1 LYS 39 -8.933 -2.271 -3.448 333 HE3 LYS 39 HE2 LYS 39 -7.896 -2.360 -4.888 334 HZ1 LYS 39 HZ1 LYS 39 -10.213 -2.318 -5.463 335 HZ2 LYS 39 HZ2 LYS 39 -9.541 -3.754 -5.906 336 HZ3 LYS 39 HZ3 LYS 39 -10.503 -3.670 -4.570 337 H LYS 40 H LYS 40 -5.917 -6.547 1.040 338 HA LYS 40 HA LYS 40 -7.885 -8.314 2.419 339 HB2 LYS 40 HB1 LYS 40 -4.855 -8.423 2.554 340 HB3 LYS 40 HB2 LYS 40 -6.005 -9.596 3.237 341 HG2 LYS 40 HG1 LYS 40 -5.555 -9.054 0.297 342 HG3 LYS 40 HG2 LYS 40 -4.910 -10.432 1.220 343 HD2 LYS 40 HD1 LYS 40 -7.005 -11.461 1.388 344 HD3 LYS 40 HD2 LYS 40 -7.886 -9.943 1.091 345 HE2 LYS 40 HE1 LYS 40 -6.967 -9.854 -1.180 346 HE3 LYS 40 HE2 LYS 40 -6.083 -11.366 -0.884 347 HZ1 LYS 40 HZ1 LYS 40 -8.051 -11.728 -2.174 348 HZ2 LYS 40 HZ2 LYS 40 -8.171 -12.482 -0.717 349 HZ3 LYS 40 HZ3 LYS 40 -8.993 -11.078 -0.991 350 H GLU 41 H GLU 41 -5.136 -6.120 3.024 351 HA GLU 41 HA GLU 41 -5.791 -5.968 5.884 352 HB2 GLU 41 HB1 GLU 41 -3.512 -4.532 4.548 353 HB3 GLU 41 HB2 GLU 41 -3.677 -5.048 6.243 354 HG2 GLU 41 HG1 GLU 41 -3.135 -6.799 3.845 355 HG3 GLU 41 HG2 GLU 41 -1.992 -6.348 5.128 356 H LEU 42 H LEU 42 -5.973 -3.829 3.036 357 HA LEU 42 HA LEU 42 -7.703 -2.011 4.629 358 HB2 LEU 42 HB1 LEU 42 -6.018 -1.822 2.264 359 HB3 LEU 42 HB2 LEU 42 -7.701 -1.420 1.846 360 HG LEU 42 HG LEU 42 -6.366 0.535 2.304 361 HD11 LEU 42 HD11 LEU 42 -7.855 1.684 3.892 362 HD12 LEU 42 HD12 LEU 42 -8.758 0.650 2.764 363 HD13 LEU 42 HD13 LEU 42 -8.474 0.110 4.436 364 HD21 LEU 42 HD21 LEU 42 -5.518 1.065 4.554 365 HD22 LEU 42 HD22 LEU 42 -6.043 -0.535 5.119 366 HD23 LEU 42 HD23 LEU 42 -4.764 -0.400 3.889 367 H CYS 43 H CYS 43 -9.925 -1.791 3.966 368 HA CYS 43 HA CYS 43 -11.001 -3.775 2.020 369 HB2 CYS 43 HB1 CYS 43 -12.106 -3.328 4.305 370 HB3 CYS 43 HB2 CYS 43 -12.582 -1.748 3.634 371 HG CYS 43 HG CYS 43 -14.586 -3.422 3.477 372 H LEU 44 H LEU 44 -11.176 -3.171 -0.032 373 HA LEU 44 HA LEU 44 -11.763 -0.413 -0.782 374 HB2 LEU 44 HB1 LEU 44 -9.109 -1.718 -1.323 375 HB3 LEU 44 HB2 LEU 44 -9.791 -0.531 -2.460 376 HG LEU 44 HG LEU 44 -9.226 -0.017 0.477 377 HD11 LEU 44 HD11 LEU 44 -7.321 1.322 -0.362 378 HD12 LEU 44 HD12 LEU 44 -7.177 -0.381 -0.851 379 HD13 LEU 44 HD13 LEU 44 -7.719 0.838 -2.027 380 HD21 LEU 44 HD21 LEU 44 -9.549 2.379 -0.077 381 HD22 LEU 44 HD22 LEU 44 -9.970 1.929 -1.744 382 HD23 LEU 44 HD23 LEU 44 -11.021 1.437 -0.395 383 H GLY 45 H GLY 45 -13.498 -0.917 -1.689 384 HA2 GLY 45 HA2 GLY 45 -13.954 -0.926 -3.708 385 H GLU 46 H GLU 46 -14.931 0.130 -2.259 386 HA GLU 46 HA GLU 46 -17.783 -0.240 -2.404 387 HB2 GLU 46 HB1 GLU 46 -17.672 -0.413 0.291 388 HB3 GLU 46 HB2 GLU 46 -17.901 -1.799 -0.801 389 HG2 GLU 46 HG1 GLU 46 -16.350 -2.312 1.011 390 HG3 GLU 46 HG2 GLU 46 -15.559 -2.404 -0.579 391 H MET 47 H MET 47 -15.069 1.272 -0.533 392 HA MET 47 HA MET 47 -16.505 3.820 -0.355 393 HB2 MET 47 HB1 MET 47 -13.625 3.035 0.228 394 HB3 MET 47 HB2 MET 47 -14.335 4.634 0.555 395 HG2 MET 47 HG1 MET 47 -15.934 3.621 2.119 396 HG3 MET 47 HG2 MET 47 -15.285 2.011 1.768 397 HE1 MET 47 HE1 MET 47 -11.719 2.106 3.164 398 HE2 MET 47 HE2 MET 47 -13.012 1.131 2.419 399 HE3 MET 47 HE3 MET 47 -12.263 2.459 1.503 400 H LYS 48 H LYS 48 -14.264 2.211 -2.517 401 HA LYS 48 HA LYS 48 -14.041 4.593 -4.249 402 HB2 LYS 48 HB1 LYS 48 -11.786 2.998 -2.987 403 HB3 LYS 48 HB2 LYS 48 -11.553 4.032 -4.414 404 HG2 LYS 48 HG1 LYS 48 -12.585 4.998 -1.732 405 HG3 LYS 48 HG2 LYS 48 -10.890 5.103 -2.265 406 HD2 LYS 48 HD1 LYS 48 -13.235 6.419 -3.686 407 HD3 LYS 48 HD2 LYS 48 -12.147 7.239 -2.541 408 HE2 LYS 48 HE1 LYS 48 -10.218 6.500 -4.056 409 HE3 LYS 48 HE2 LYS 48 -11.454 6.037 -5.247 410 HZ1 LYS 48 HZ1 LYS 48 -10.596 8.223 -5.662 411 HZ2 LYS 48 HZ2 LYS 48 -12.194 8.304 -5.267 412 HZ3 LYS 48 HZ3 LYS 48 -11.046 8.734 -4.162 413 H GLU 49 H GLU 49 -14.189 4.162 -6.272 414 HA GLU 49 HA GLU 49 -13.642 1.487 -7.455 415 HB2 GLU 49 HB1 GLU 49 -14.907 3.994 -8.627 416 HB3 GLU 49 HB2 GLU 49 -14.816 2.391 -9.394 417 HG2 GLU 49 HG1 GLU 49 -16.541 1.525 -8.090 418 HG3 GLU 49 HG2 GLU 49 -16.320 2.730 -6.803 419 H SER 50 H SER 50 -13.360 4.292 -9.504 420 HA SER 50 HA SER 50 -10.610 3.780 -10.038 421 HB2 SER 50 HB1 SER 50 -12.283 4.671 -11.672 422 HB3 SER 50 HB2 SER 50 -12.182 6.242 -10.838 423 HG SER 50 HG SER 50 -10.736 6.088 -12.622 424 H SER 51 H SER 51 -9.077 5.703 -10.245 425 HA SER 51 HA SER 51 -7.323 6.571 -9.225 426 HB2 SER 51 HB1 SER 51 -9.275 7.734 -7.223 427 HB3 SER 51 HB2 SER 51 -7.571 8.212 -7.427 428 HG SER 51 HG SER 51 -9.026 9.601 -8.541 429 H ILE 52 H ILE 52 -9.298 4.424 -7.098 430 HA ILE 52 HA ILE 52 -6.609 3.626 -6.143 431 HB ILE 52 HB ILE 52 -7.396 2.370 -4.463 432 HG12 ILE 52 HG13 ILE 52 -9.968 2.075 -4.029 433 HG13 ILE 52 HG12 ILE 52 -10.031 2.078 -5.808 434 HG21 ILE 52 HG21 ILE 52 -8.874 3.856 -3.154 435 HG22 ILE 52 HG22 ILE 52 -7.673 4.770 -4.090 436 HG23 ILE 52 HG23 ILE 52 -9.360 4.677 -4.651 437 HD11 ILE 52 HD11 ILE 52 -9.847 -0.228 -4.926 438 HD12 ILE 52 HD12 ILE 52 -8.410 0.219 -5.868 439 HD13 ILE 52 HD13 ILE 52 -8.345 0.219 -4.089 440 H ASP 53 H ASP 53 -9.432 2.192 -7.899 441 HA ASP 53 HA ASP 53 -8.018 -0.279 -8.289 442 HB2 ASP 53 HB1 ASP 53 -10.602 0.864 -9.307 443 HB3 ASP 53 HB2 ASP 53 -9.959 -0.646 -9.987 444 H ASP 54 H ASP 54 -8.120 2.654 -10.123 445 HA ASP 54 HA ASP 54 -6.806 1.863 -12.517 446 HB2 ASP 54 HB1 ASP 54 -7.943 4.012 -12.094 447 HB3 ASP 54 HB2 ASP 54 -6.741 4.415 -10.849 448 H LEU 55 H LEU 55 -5.463 2.904 -9.316 449 HA LEU 55 HA LEU 55 -2.721 2.526 -10.036 450 HB2 LEU 55 HB1 LEU 55 -3.936 2.243 -7.276 451 HB3 LEU 55 HB2 LEU 55 -2.240 2.595 -7.686 452 HG LEU 55 HG LEU 55 -4.596 4.446 -8.112 453 HD11 LEU 55 HD11 LEU 55 -3.578 5.741 -6.261 454 HD12 LEU 55 HD12 LEU 55 -4.017 4.098 -5.736 455 HD13 LEU 55 HD13 LEU 55 -2.319 4.497 -6.084 456 HD21 LEU 55 HD21 LEU 55 -2.902 6.162 -8.655 457 HD22 LEU 55 HD22 LEU 55 -1.620 4.937 -8.514 458 HD23 LEU 55 HD23 LEU 55 -2.843 4.804 -9.802 459 H MET 56 H MET 56 -5.150 0.341 -8.471 460 HA MET 56 HA MET 56 -3.467 -1.886 -8.092 461 HB2 MET 56 HB1 MET 56 -6.388 -2.041 -8.887 462 HB3 MET 56 HB2 MET 56 -5.447 -3.221 -7.944 463 HG2 MET 56 HG1 MET 56 -6.423 -0.500 -7.101 464 HG3 MET 56 HG2 MET 56 -6.909 -2.081 -6.470 465 HE1 MET 56 HE1 MET 56 -4.129 -3.096 -4.074 466 HE2 MET 56 HE2 MET 56 -5.813 -3.333 -4.596 467 HE3 MET 56 HE3 MET 56 -4.477 -3.666 -5.724 468 H LYS 57 H LYS 57 -5.312 -0.881 -10.978 469 HA LYS 57 HA LYS 57 -4.667 -3.125 -12.619 470 HB2 LYS 57 HB1 LYS 57 -6.570 -1.579 -12.914 471 HB3 LYS 57 HB2 LYS 57 -5.434 -0.269 -13.315 472 HG2 LYS 57 HG1 LYS 57 -6.573 -1.325 -15.290 473 HG3 LYS 57 HG2 LYS 57 -4.794 -1.345 -15.358 474 HD2 LYS 57 HD1 LYS 57 -4.669 -3.643 -14.947 475 HD3 LYS 57 HD2 LYS 57 -6.277 -3.697 -14.185 476 HE2 LYS 57 HE1 LYS 57 -5.837 -3.154 -17.142 477 HE3 LYS 57 HE2 LYS 57 -6.128 -4.774 -16.473 478 HZ1 LYS 57 HZ1 LYS 57 -8.151 -3.753 -17.241 479 HZ2 LYS 57 HZ2 LYS 57 -8.213 -3.973 -15.607 480 HZ3 LYS 57 HZ3 LYS 57 -7.944 -2.469 -16.228 481 H SER 58 H SER 58 -3.021 -0.008 -12.117 482 HA SER 58 HA SER 58 -0.938 -0.304 -14.004 483 HB2 SER 58 HB1 SER 58 -1.625 1.726 -12.619 484 HB3 SER 58 HB2 SER 58 -0.700 1.004 -11.279 485 HG SER 58 HG SER 58 0.539 2.483 -12.522 486 H LEU 59 H LEU 59 -1.344 -1.928 -10.863 487 HA LEU 59 HA LEU 59 1.415 -2.897 -10.808 488 HB2 LEU 59 HB1 LEU 59 -1.016 -3.772 -9.215 489 HB3 LEU 59 HB2 LEU 59 0.669 -4.256 -8.908 490 HG LEU 59 HG LEU 59 -0.521 -1.484 -8.596 491 HD11 LEU 59 HD11 LEU 59 -0.027 -1.869 -6.192 492 HD12 LEU 59 HD12 LEU 59 -1.124 -3.116 -6.831 493 HD13 LEU 59 HD13 LEU 59 0.598 -3.489 -6.582 494 HD21 LEU 59 HD21 LEU 59 1.673 -0.794 -7.675 495 HD22 LEU 59 HD22 LEU 59 2.336 -2.395 -8.070 496 HD23 LEU 59 HD23 LEU 59 1.813 -1.300 -9.372 497 H ASP 60 H ASP 60 -1.811 -4.245 -11.448 498 HA ASP 60 HA ASP 60 -1.164 -6.821 -12.339 499 HB2 ASP 60 HB1 ASP 60 -3.382 -4.864 -12.509 500 HB3 ASP 60 HB2 ASP 60 -3.378 -6.096 -13.790 501 H LYS 61 H LYS 61 -0.883 -3.757 -14.130 502 HA LYS 61 HA LYS 61 -0.447 -4.679 -16.747 503 HB2 LYS 61 HB1 LYS 61 -0.609 -2.335 -15.416 504 HB3 LYS 61 HB2 LYS 61 1.163 -2.448 -15.550 505 HG2 LYS 61 HG1 LYS 61 -0.854 -2.295 -17.797 506 HG3 LYS 61 HG2 LYS 61 0.338 -1.063 -17.315 507 HD2 LYS 61 HD1 LYS 61 1.005 -3.801 -18.435 508 HD3 LYS 61 HD2 LYS 61 0.987 -2.284 -19.364 509 HE2 LYS 61 HE1 LYS 61 2.916 -1.482 -18.366 510 HE3 LYS 61 HE2 LYS 61 2.644 -2.389 -16.862 511 HZ1 LYS 61 HZ1 LYS 61 4.496 -3.256 -18.099 512 HZ2 LYS 61 HZ2 LYS 61 3.292 -4.379 -18.017 513 HZ3 LYS 61 HZ3 LYS 61 3.544 -3.537 -19.414 514 H ASN 62 H ASN 62 1.703 -4.795 -13.917 515 HA ASN 62 HA ASN 62 3.970 -5.675 -15.654 516 HB2 ASN 62 HB1 ASN 62 3.950 -4.191 -12.998 517 HB3 ASN 62 HB2 ASN 62 5.411 -4.739 -13.851 518 HD21 ASN 62 HD21 ASN 62 3.204 -2.139 -13.506 519 HD22 ASN 62 HD22 ASN 62 3.630 -1.240 -14.955 520 H SER 63 H SER 63 3.475 -5.969 -12.122 521 HA SER 63 HA SER 63 2.439 -7.479 -10.886 522 HB2 SER 63 HB1 SER 63 0.788 -8.841 -11.704 523 HB3 SER 63 HB2 SER 63 0.905 -7.523 -12.895 524 HG SER 63 HG SER 63 0.682 -9.585 -13.867 525 H ASP 64 H ASP 64 4.435 -9.259 -13.311 526 HA ASP 64 HA ASP 64 4.794 -11.470 -11.383 527 HB2 ASP 64 HB1 ASP 64 5.514 -11.210 -14.325 528 HB3 ASP 64 HB2 ASP 64 5.767 -12.662 -13.334 529 H GLN 65 H GLN 65 5.958 -9.148 -10.606 530 HA GLN 65 HA GLN 65 8.884 -9.503 -10.949 531 HB2 GLN 65 HB1 GLN 65 8.188 -6.740 -10.592 532 HB3 GLN 65 HB2 GLN 65 9.130 -7.497 -11.899 533 HG2 GLN 65 HG1 GLN 65 6.142 -7.426 -12.062 534 HG3 GLN 65 HG2 GLN 65 7.090 -5.966 -12.417 535 HE21 GLN 65 HE12 GLN 65 8.185 -9.303 -13.338 536 HE22 GLN 65 HE22 GLN 65 8.025 -9.009 -15.053 537 H GLU 66 H GLU 66 9.965 -9.150 -8.957 538 HA GLU 66 HA GLU 66 8.329 -8.658 -6.614 539 HB2 GLU 66 HB1 GLU 66 11.279 -9.114 -7.035 540 HB3 GLU 66 HB2 GLU 66 10.646 -8.570 -5.464 541 HG2 GLU 66 HG1 GLU 66 9.133 -10.539 -5.417 542 HG3 GLU 66 HG2 GLU 66 9.825 -11.092 -6.958 543 H ILE 67 H ILE 67 8.352 -6.960 -5.242 544 HA ILE 67 HA ILE 67 9.917 -4.526 -5.885 545 HB ILE 67 HB ILE 67 7.844 -3.379 -4.692 546 HG12 ILE 67 HG13 ILE 67 6.459 -5.653 -6.129 547 HG13 ILE 67 HG12 ILE 67 6.492 -5.380 -4.372 548 HG21 ILE 67 HG21 ILE 67 7.067 -2.693 -6.914 549 HG22 ILE 67 HG22 ILE 67 8.842 -2.765 -6.824 550 HG23 ILE 67 HG23 ILE 67 7.938 -4.064 -7.638 551 HD11 ILE 67 HD11 ILE 67 4.376 -4.561 -5.362 552 HD12 ILE 67 HD12 ILE 67 5.331 -3.224 -4.683 553 HD13 ILE 67 HD13 ILE 67 5.299 -3.494 -6.442 554 H ASP 68 H ASP 68 10.158 -3.099 -4.010 555 HA ASP 68 HA ASP 68 10.504 -4.612 -1.501 556 HB2 ASP 68 HB1 ASP 68 12.302 -3.237 -1.060 557 HB3 ASP 68 HB2 ASP 68 12.329 -3.254 -2.836 558 H PHE 69 H PHE 69 10.546 -3.016 0.434 559 HA PHE 69 HA PHE 69 7.933 -2.280 1.188 560 HB2 PHE 69 HB1 PHE 69 9.803 -3.031 2.619 561 HB3 PHE 69 HB2 PHE 69 10.670 -1.523 2.277 562 HD1 PHE 69 HD1 PHE 69 7.278 -2.585 3.523 563 HD2 PHE 69 HD2 PHE 69 10.657 0.039 3.992 564 HE1 PHE 69 HE1 PHE 69 6.163 -1.487 5.448 565 HE2 PHE 69 HE2 PHE 69 9.558 1.112 5.944 566 HZ PHE 69 HZ PHE 69 7.284 0.380 6.644 567 H LYS 70 H LYS 70 10.275 -0.384 -0.612 568 HA LYS 70 HA LYS 70 9.167 2.216 0.195 569 HB2 LYS 70 HB1 LYS 70 11.625 1.553 -0.183 570 HB3 LYS 70 HB2 LYS 70 11.242 1.626 -1.921 571 HG2 LYS 70 HG1 LYS 70 10.648 3.993 -1.716 572 HG3 LYS 70 HG2 LYS 70 10.944 3.934 0.039 573 HD2 LYS 70 HD1 LYS 70 13.307 3.017 -0.620 574 HD3 LYS 70 HD2 LYS 70 12.940 3.666 -2.237 575 HE2 LYS 70 HE1 LYS 70 12.586 5.893 -1.306 576 HE3 LYS 70 HE2 LYS 70 12.807 5.273 0.344 577 HZ1 LYS 70 HZ1 LYS 70 14.795 6.308 -0.488 578 HZ2 LYS 70 HZ2 LYS 70 15.057 4.700 -0.241 579 HZ3 LYS 70 HZ3 LYS 70 14.853 5.275 -1.773 580 H GLU 71 H GLU 71 9.540 0.418 -2.908 581 HA GLU 71 HA GLU 71 7.737 1.781 -4.551 582 HB2 GLU 71 HB1 GLU 71 8.381 -1.154 -4.115 583 HB3 GLU 71 HB2 GLU 71 7.241 -0.621 -5.375 584 HG2 GLU 71 HG1 GLU 71 9.854 0.803 -5.342 585 HG3 GLU 71 HG2 GLU 71 9.938 -0.923 -5.758 586 H TYR 72 H TYR 72 7.086 -0.623 -1.963 587 HA TYR 72 HA TYR 72 4.240 -0.478 -2.078 588 HB2 TYR 72 HB1 TYR 72 5.227 -2.307 -1.041 589 HB3 TYR 72 HB2 TYR 72 6.275 -1.294 -0.033 590 HD1 TYR 72 HD2 TYR 72 2.531 -1.708 -0.514 591 HD2 TYR 72 HD1 TYR 72 5.801 -1.201 2.226 592 HE1 TYR 72 HE2 TYR 72 1.073 -2.458 1.353 593 HE2 TYR 72 HE1 TYR 72 4.334 -1.878 4.113 594 HH TYR 72 HH TYR 72 0.962 -3.038 3.564 595 H SER 73 H SER 73 6.580 1.495 -0.133 596 HA SER 73 HA SER 73 4.594 2.955 1.272 597 HB2 SER 73 HB1 SER 73 6.306 4.351 2.023 598 HB3 SER 73 HB2 SER 73 7.106 2.785 1.745 599 HG SER 73 HG SER 73 8.313 4.559 0.925 600 H VAL 74 H VAL 74 6.111 3.675 -1.951 601 HA VAL 74 HA VAL 74 4.679 6.165 -2.163 602 HB VAL 74 HB VAL 74 5.214 6.164 -4.556 603 HG11 VAL 74 HG11 VAL 74 7.647 6.482 -4.267 604 HG12 VAL 74 HG12 VAL 74 6.730 7.147 -2.897 605 HG13 VAL 74 HG13 VAL 74 7.573 5.588 -2.732 606 HG21 VAL 74 HG21 VAL 74 6.787 4.547 -5.546 607 HG22 VAL 74 HG22 VAL 74 6.705 3.577 -4.062 608 HG23 VAL 74 HG23 VAL 74 5.257 3.781 -5.077 609 H PHE 75 H PHE 75 3.876 2.774 -3.049 610 HA PHE 75 HA PHE 75 1.518 3.613 -4.493 611 HB2 PHE 75 HB1 PHE 75 2.702 1.396 -4.739 612 HB3 PHE 75 HB2 PHE 75 1.994 0.926 -3.184 613 HD1 PHE 75 HD2 PHE 75 -0.555 0.831 -2.956 614 HD2 PHE 75 HD1 PHE 75 1.368 1.558 -6.736 615 HE1 PHE 75 HE2 PHE 75 -2.608 0.101 -4.145 616 HE2 PHE 75 HE1 PHE 75 -0.669 0.788 -7.919 617 HZ PHE 75 HZ PHE 75 -2.642 0.014 -6.625 618 H LEU 76 H LEU 76 1.964 2.360 -1.078 619 HA LEU 76 HA LEU 76 -0.720 2.742 -0.286 620 HB2 LEU 76 HB1 LEU 76 1.871 2.932 1.261 621 HB3 LEU 76 HB2 LEU 76 0.277 3.122 2.029 622 HG LEU 76 HG LEU 76 1.358 0.625 0.684 623 HD11 LEU 76 HD11 LEU 76 1.302 -0.225 3.018 624 HD12 LEU 76 HD12 LEU 76 2.340 1.216 2.889 625 HD13 LEU 76 HD13 LEU 76 0.706 1.355 3.582 626 HD21 LEU 76 HD21 LEU 76 -0.691 -0.497 1.503 627 HD22 LEU 76 HD22 LEU 76 -1.312 1.066 2.080 628 HD23 LEU 76 HD23 LEU 76 -1.084 0.787 0.338 629 H THR 77 H THR 77 1.940 5.146 -0.573 630 HA THR 77 HA THR 77 0.374 7.187 0.762 631 HB THR 77 HB THR 77 2.903 7.512 -0.874 632 HG1 THR 77 HG1 THR 77 3.758 7.555 1.258 633 HG21 THR 77 HG21 THR 77 3.041 9.650 0.384 634 HG22 THR 77 HG22 THR 77 1.569 9.598 -0.617 635 HG23 THR 77 HG23 THR 77 1.464 9.310 1.138 636 H MET 78 H MET 78 1.252 6.596 -2.672 637 HA MET 78 HA MET 78 -0.323 8.567 -3.903 638 HB2 MET 78 HB1 MET 78 1.372 7.147 -4.971 639 HB3 MET 78 HB2 MET 78 0.326 5.724 -4.751 640 HG2 MET 78 HG1 MET 78 -1.232 6.494 -6.340 641 HG3 MET 78 HG2 MET 78 -0.542 8.125 -6.352 642 HE1 MET 78 HE1 MET 78 1.797 4.473 -8.033 643 HE2 MET 78 HE2 MET 78 1.682 4.891 -6.310 644 HE3 MET 78 HE3 MET 78 0.244 4.315 -7.184 645 H LEU 79 H LEU 79 -1.271 5.351 -2.741 646 HA LEU 79 HA LEU 79 -4.025 5.466 -3.510 647 HB2 LEU 79 HB1 LEU 79 -2.835 3.398 -3.109 648 HB3 LEU 79 HB2 LEU 79 -2.456 3.893 -1.443 649 HG LEU 79 HG LEU 79 -4.791 3.697 -0.815 650 HD11 LEU 79 HD11 LEU 79 -6.472 2.805 -2.394 651 HD12 LEU 79 HD12 LEU 79 -5.821 4.363 -2.955 652 HD13 LEU 79 HD13 LEU 79 -5.263 2.845 -3.699 653 HD21 LEU 79 HD21 LEU 79 -5.006 1.244 -1.082 654 HD22 LEU 79 HD22 LEU 79 -3.781 1.276 -2.372 655 HD23 LEU 79 HD23 LEU 79 -3.330 1.706 -0.705 656 H CYS 80 H CYS 80 -2.314 6.399 -0.457 657 HA CYS 80 HA CYS 80 -4.674 7.086 0.993 658 HB2 CYS 80 HB1 CYS 80 -2.488 6.629 2.002 659 HB3 CYS 80 HB2 CYS 80 -1.813 8.084 1.226 660 HG CYS 80 HG CYS 80 -2.169 8.523 3.782 661 H MET 81 H MET 81 -2.506 9.171 -1.031 662 HA MET 81 HA MET 81 -4.348 11.382 -0.897 663 HB2 MET 81 HB1 MET 81 -2.861 12.382 -2.675 664 HB3 MET 81 HB2 MET 81 -2.142 12.030 -1.084 665 HG2 MET 81 HG1 MET 81 -0.669 10.588 -1.933 666 HG3 MET 81 HG2 MET 81 -1.879 9.815 -2.969 667 HE1 MET 81 HE1 MET 81 -1.849 11.711 -6.191 668 HE2 MET 81 HE2 MET 81 -2.355 10.253 -5.295 669 HE3 MET 81 HE3 MET 81 -2.957 11.854 -4.799 670 H ALA 82 H ALA 82 -5.020 8.541 -2.315 671 HA ALA 82 HA ALA 82 -6.433 9.741 -4.590 672 HB1 ALA 82 HB1 ALA 82 -7.167 7.441 -5.079 673 HB2 ALA 82 HB2 ALA 82 -5.404 7.539 -4.870 674 HB3 ALA 82 HB3 ALA 82 -6.420 6.884 -3.564 675 H TYR 83 H TYR 83 -7.066 9.438 -1.286 676 HA TYR 83 HA TYR 83 -9.652 10.551 -1.370 677 HB2 TYR 83 HB1 TYR 83 -11.050 8.764 -0.538 678 HB3 TYR 83 HB2 TYR 83 -10.364 8.315 -2.110 679 HD1 TYR 83 HD1 TYR 83 -8.483 6.594 -2.198 680 HD2 TYR 83 HD2 TYR 83 -10.759 7.404 1.362 681 HE1 TYR 83 HE1 TYR 83 -7.496 4.584 -1.113 682 HE2 TYR 83 HE2 TYR 83 -9.642 5.517 2.517 683 HH TYR 83 HH TYR 83 -8.197 3.756 2.324 684 H ASN 84 H ASN 84 -9.562 11.849 0.398 685 HA ASN 84 HA ASN 84 -8.871 10.957 3.002 686 HB2 ASN 84 HB1 ASN 84 -6.647 12.043 3.272 687 HB3 ASN 84 HB2 ASN 84 -6.633 10.638 2.184 688 HD21 ASN 84 HD21 ASN 84 -5.967 14.017 2.484 689 HD22 ASN 84 HD22 ASN 84 -5.562 14.335 0.804 690 H ASP 85 H ASP 85 -10.976 12.389 2.300 691 HA ASP 85 HA ASP 85 -10.632 15.077 1.572 692 HB2 ASP 85 HB1 ASP 85 -13.082 13.763 2.806 693 HB3 ASP 85 HB2 ASP 85 -13.052 15.200 1.758 694 H PHE 86 H PHE 86 -10.575 13.737 4.745 695 HA PHE 86 HA PHE 86 -11.433 16.015 6.268 696 HB2 PHE 86 HB1 PHE 86 -11.393 13.555 6.894 697 HB3 PHE 86 HB2 PHE 86 -9.636 13.697 7.061 698 HD1 PHE 86 HD2 PHE 86 -12.907 14.753 8.455 699 HD2 PHE 86 HD1 PHE 86 -8.637 14.732 9.008 700 HE1 PHE 86 HE2 PHE 86 -13.212 15.447 10.822 701 HE2 PHE 86 HE1 PHE 86 -8.941 15.414 11.376 702 HZ PHE 86 HZ PHE 86 -11.225 15.773 12.286 703 H PHE 87 H PHE 87 -8.409 15.306 4.655 704 HA PHE 87 HA PHE 87 -6.931 17.245 6.367 705 HB2 PHE 87 HB1 PHE 87 -5.903 14.964 4.636 706 HB3 PHE 87 HB2 PHE 87 -4.898 16.048 5.613 707 HD1 PHE 87 HD1 PHE 87 -5.116 16.011 8.133 708 HD2 PHE 87 HD2 PHE 87 -6.988 13.070 5.602 709 HE1 PHE 87 HE1 PHE 87 -5.439 14.525 10.100 710 HE2 PHE 87 HE2 PHE 87 -7.338 11.598 7.573 711 HZ PHE 87 HZ PHE 87 -6.573 12.329 9.824 712 H LEU 88 H LEU 88 -8.445 17.156 3.496 713 HA LEU 88 HA LEU 88 -7.093 17.760 1.322 714 HB2 LEU 88 HB1 LEU 88 -9.046 18.841 0.538 715 HB3 LEU 88 HB2 LEU 88 -9.532 17.595 1.713 716 HG LEU 88 HG LEU 88 -10.976 19.307 2.122 717 HD11 LEU 88 HD11 LEU 88 -10.504 20.384 4.300 718 HD12 LEU 88 HD12 LEU 88 -10.009 18.683 4.278 719 HD13 LEU 88 HD13 LEU 88 -8.792 19.973 4.114 720 HD21 LEU 88 HD21 LEU 88 -10.462 21.724 2.259 721 HD22 LEU 88 HD22 LEU 88 -8.750 21.363 1.968 722 HD23 LEU 88 HD23 LEU 88 -9.961 21.027 0.706 723 H GLU 89 H GLU 89 -6.761 19.648 -0.051 724 HA GLU 89 HA GLU 89 -5.040 21.535 1.359 725 HB2 GLU 89 HB1 GLU 89 -5.636 21.517 -1.606 726 HB3 GLU 89 HB2 GLU 89 -4.232 22.218 -0.766 727 HG2 GLU 89 HG1 GLU 89 -3.436 20.292 -1.870 728 HG3 GLU 89 HG2 GLU 89 -3.568 19.849 -0.154 729 H ASP 90 H ASP 90 -7.858 21.837 -0.902 730 HA ASP 90 HA ASP 90 -8.899 23.678 -1.729 731 HB2 ASP 90 HB1 ASP 90 -10.079 23.320 0.363 732 HB3 ASP 90 HB2 ASP 90 -8.952 24.400 1.209 733 H ASN 91 H ASN 91 -5.851 23.859 -1.411 734 HA ASN 91 HA ASN 91 -4.103 25.272 -1.448 735 HB2 ASN 91 HB1 ASN 91 -5.226 25.807 -3.566 736 HB3 ASN 91 HB2 ASN 91 -6.078 27.144 -2.767 737 HD21 ASN 91 HD21 ASN 91 -2.597 26.219 -2.502 738 HD22 ASN 91 HD22 ASN 91 -1.995 27.732 -3.165 739 H LYS 92 H LYS 92 -5.982 25.402 0.956 740 HA LYS 92 HA LYS 92 -5.054 27.988 2.102 741 HB2 LYS 92 HB1 LYS 92 -7.052 26.094 3.344 742 HB3 LYS 92 HB2 LYS 92 -6.718 27.789 3.773 743 HG2 LYS 92 HG1 LYS 92 -8.176 26.734 1.346 744 HG3 LYS 92 HG2 LYS 92 -8.834 27.700 2.690 745 HD2 LYS 92 HD1 LYS 92 -7.393 29.604 1.939 746 HD3 LYS 92 HD2 LYS 92 -6.925 28.631 0.524 747 HE2 LYS 92 HE1 LYS 92 -9.724 29.590 1.228 748 HE3 LYS 92 HE2 LYS 92 -8.694 30.189 -0.090 749 HZ1 LYS 92 HZ1 LYS 92 -10.342 28.649 -0.880 750 HZ2 LYS 92 HZ2 LYS 92 -8.833 28.024 -1.095 751 HZ3 LYS 92 HZ3 LYS 92 -9.788 27.468 0.128 752 HA MET 1 HA MET 1 -9.802 3.747 11.325 753 HB2 MET 1 HB1 MET 1 -7.770 3.687 13.566 754 HB3 MET 1 HB2 MET 1 -7.448 3.573 11.820 755 HG2 MET 1 HG1 MET 1 -6.881 5.774 12.482 756 HG3 MET 1 HG2 MET 1 -8.399 5.879 11.575 757 HE1 MET 1 HE1 MET 1 -8.053 8.664 14.639 758 HE2 MET 1 HE2 MET 1 -6.665 7.742 14.020 759 HE3 MET 1 HE3 MET 1 -7.826 8.476 12.888 760 H GLU 2 H GLU 2 -10.028 1.692 10.571 761 HA GLU 2 HA GLU 2 -10.985 -0.148 12.718 762 HB2 GLU 2 HB1 GLU 2 -11.789 0.437 9.839 763 HB3 GLU 2 HB2 GLU 2 -12.444 -0.939 10.759 764 HG2 GLU 2 HG1 GLU 2 -13.936 1.060 10.615 765 HG3 GLU 2 HG2 GLU 2 -13.590 0.484 12.261 766 H THR 3 H THR 3 -9.155 0.027 9.684 767 HA THR 3 HA THR 3 -8.977 -2.889 9.495 768 HB THR 3 HB THR 3 -8.574 -2.731 7.347 769 HG1 THR 3 HG1 THR 3 -7.158 -1.206 6.412 770 HG21 THR 3 HG21 THR 3 -9.464 -0.760 6.160 771 HG22 THR 3 HG22 THR 3 -10.494 -1.229 7.525 772 HG23 THR 3 HG23 THR 3 -9.399 0.166 7.672 773 HA PRO 4 HA PRO 4 -5.158 -3.392 11.462 774 HB2 PRO 4 HB1 PRO 4 -3.850 -5.373 10.052 775 HB3 PRO 4 HB2 PRO 4 -5.277 -5.650 11.103 776 HG2 PRO 4 HG1 PRO 4 -5.231 -5.261 8.106 777 HG3 PRO 4 HG2 PRO 4 -6.082 -6.536 9.037 778 HD2 PRO 4 HD1 PRO 4 -7.381 -4.307 8.183 779 HD3 PRO 4 HD2 PRO 4 -7.713 -4.980 9.808 780 H LEU 5 H LEU 5 -4.919 -2.616 7.981 781 HA LEU 5 HA LEU 5 -2.183 -1.621 8.357 782 HB2 LEU 5 HB1 LEU 5 -3.013 -2.856 6.311 783 HB3 LEU 5 HB2 LEU 5 -3.942 -1.392 5.909 784 HG LEU 5 HG LEU 5 -0.973 -1.205 6.392 785 HD11 LEU 5 HD11 LEU 5 -0.591 -1.646 3.974 786 HD12 LEU 5 HD12 LEU 5 -1.302 -3.064 4.776 787 HD13 LEU 5 HD13 LEU 5 -2.320 -2.006 3.769 788 HD21 LEU 5 HD21 LEU 5 -1.102 0.633 4.739 789 HD22 LEU 5 HD22 LEU 5 -2.834 0.306 4.521 790 HD23 LEU 5 HD23 LEU 5 -2.228 0.897 6.087 791 H GLU 6 H GLU 6 -5.468 -0.175 7.848 792 HA GLU 6 HA GLU 6 -4.665 2.306 6.920 793 HB2 GLU 6 HB1 GLU 6 -6.912 1.867 6.717 794 HB3 GLU 6 HB2 GLU 6 -7.075 1.334 8.408 795 HG2 GLU 6 HG1 GLU 6 -8.292 3.439 7.847 796 HG3 GLU 6 HG2 GLU 6 -7.153 3.573 9.204 797 H LYS 7 H LYS 7 -5.116 1.473 10.425 798 HA LYS 7 HA LYS 7 -4.698 4.041 11.412 799 HB2 LYS 7 HB1 LYS 7 -3.798 2.738 13.475 800 HB3 LYS 7 HB2 LYS 7 -5.505 2.674 12.977 801 HG2 LYS 7 HG1 LYS 7 -4.599 0.506 13.748 802 HG3 LYS 7 HG2 LYS 7 -5.230 0.467 12.085 803 HD2 LYS 7 HD1 LYS 7 -3.210 -0.789 12.097 804 HD3 LYS 7 HD2 LYS 7 -2.860 0.754 11.282 805 HE2 LYS 7 HE1 LYS 7 -1.052 0.768 12.665 806 HE3 LYS 7 HE2 LYS 7 -2.217 1.408 13.845 807 HZ1 LYS 7 HZ1 LYS 7 -0.972 -0.430 14.732 808 HZ2 LYS 7 HZ2 LYS 7 -2.567 -0.832 14.618 809 HZ3 LYS 7 HZ3 LYS 7 -1.487 -1.426 13.523 810 H ALA 8 H ALA 8 -2.243 2.060 10.008 811 HA ALA 8 HA ALA 8 0.067 3.420 10.993 812 HB1 ALA 8 HB1 ALA 8 1.164 2.396 9.025 813 HB2 ALA 8 HB2 ALA 8 0.130 1.221 9.872 814 HB3 ALA 8 HB3 ALA 8 -0.430 1.969 8.358 815 H LEU 9 H LEU 9 -1.615 3.772 7.797 816 HA LEU 9 HA LEU 9 -0.455 6.251 7.100 817 HB2 LEU 9 HB1 LEU 9 -3.076 4.942 6.381 818 HB3 LEU 9 HB2 LEU 9 -2.656 6.568 5.790 819 HG LEU 9 HG LEU 9 -2.248 4.917 4.093 820 HD11 LEU 9 HD11 LEU 9 0.112 5.382 3.530 821 HD12 LEU 9 HD12 LEU 9 -0.715 6.829 4.143 822 HD13 LEU 9 HD13 LEU 9 0.395 5.923 5.198 823 HD21 LEU 9 HD21 LEU 9 -0.577 3.124 4.319 824 HD22 LEU 9 HD22 LEU 9 -0.321 3.587 6.014 825 HD23 LEU 9 HD23 LEU 9 -1.897 2.947 5.494 826 H THR 10 H THR 10 -3.351 5.550 9.219 827 HA THR 10 HA THR 10 -4.074 8.306 9.309 828 HB THR 10 HB THR 10 -4.755 6.938 11.791 829 HG1 THR 10 HG1 THR 10 -6.286 5.600 10.779 830 HG21 THR 10 HG21 THR 10 -6.961 7.840 11.130 831 HG22 THR 10 HG22 THR 10 -5.688 9.076 10.982 832 HG23 THR 10 HG23 THR 10 -6.309 8.259 9.527 833 H THR 11 H THR 11 -1.908 6.405 11.436 834 HA THR 11 HA THR 11 -1.216 8.424 13.280 835 HB THR 11 HB THR 11 0.608 6.333 12.064 836 HG1 THR 11 HG1 THR 11 -0.044 5.145 13.925 837 HG21 THR 11 HG21 THR 11 1.865 6.457 14.204 838 HG22 THR 11 HG22 THR 11 1.871 8.018 13.361 839 HG23 THR 11 HG23 THR 11 0.788 7.759 14.750 840 H MET 12 H MET 12 0.065 7.792 9.974 841 HA MET 12 HA MET 12 2.143 9.750 10.129 842 HB2 MET 12 HB1 MET 12 0.739 8.419 7.798 843 HB3 MET 12 HB2 MET 12 2.067 9.587 7.585 844 HG2 MET 12 HG1 MET 12 3.603 8.144 8.763 845 HG3 MET 12 HG2 MET 12 2.297 7.032 9.207 846 HE1 MET 12 HE1 MET 12 5.055 6.144 6.018 847 HE2 MET 12 HE2 MET 12 5.144 7.689 6.894 848 HE3 MET 12 HE3 MET 12 5.049 6.157 7.797 849 H VAL 13 H VAL 13 -1.179 9.954 8.596 850 HA VAL 13 HA VAL 13 -0.808 12.728 7.993 851 HB VAL 13 HB VAL 13 -3.242 12.916 7.709 852 HG11 VAL 13 HG11 VAL 13 -3.411 11.398 5.761 853 HG12 VAL 13 HG12 VAL 13 -1.817 12.178 5.843 854 HG13 VAL 13 HG13 VAL 13 -2.008 10.484 6.358 855 HG21 VAL 13 HG21 VAL 13 -4.678 10.910 7.830 856 HG22 VAL 13 HG22 VAL 13 -3.311 9.980 8.483 857 HG23 VAL 13 HG23 VAL 13 -4.002 11.328 9.420 858 H THR 14 H THR 14 -1.684 11.151 11.025 859 HA THR 14 HA THR 14 -2.855 13.471 12.266 860 HB THR 14 HB THR 14 -1.683 10.955 13.488 861 HG1 THR 14 HG1 THR 14 -3.939 10.508 13.627 862 HG21 THR 14 HG21 THR 14 -3.012 11.557 15.499 863 HG22 THR 14 HG22 THR 14 -1.772 12.785 15.163 864 HG23 THR 14 HG23 THR 14 -3.472 13.092 14.730 865 H THR 15 H THR 15 0.430 11.965 12.730 866 HA THR 15 HA THR 15 1.552 14.115 14.203 867 HB THR 15 HB THR 15 3.756 13.256 13.149 868 HG1 THR 15 HG1 THR 15 3.499 11.177 12.212 869 HG21 THR 15 HG21 THR 15 3.739 11.198 14.527 870 HG22 THR 15 HG22 THR 15 2.973 12.554 15.383 871 HG23 THR 15 HG23 THR 15 1.968 11.292 14.633 872 H PHE 16 H PHE 16 1.780 13.456 10.629 873 HA PHE 16 HA PHE 16 3.203 15.749 9.925 874 HB2 PHE 16 HB1 PHE 16 2.797 13.800 8.506 875 HB3 PHE 16 HB2 PHE 16 1.084 14.232 8.379 876 HD1 PHE 16 HD1 PHE 16 0.409 16.282 7.108 877 HD2 PHE 16 HD2 PHE 16 4.425 14.745 7.007 878 HE1 PHE 16 HE1 PHE 16 0.867 17.598 5.063 879 HE2 PHE 16 HE2 PHE 16 4.840 15.970 4.885 880 HZ PHE 16 HZ PHE 16 3.066 17.431 3.921 881 H HIS 17 H HIS 17 -0.344 15.534 10.542 882 HA HIS 17 HA HIS 17 -0.997 18.066 9.467 883 HB2 HIS 17 HB1 HIS 17 -2.672 16.360 10.021 884 HB3 HIS 17 HB2 HIS 17 -2.367 16.619 11.748 885 HD1 HIS 17 HD1 HIS 17 -3.761 18.557 12.837 886 HD2 HIS 17 HD2 HIS 17 -3.521 18.740 8.645 887 HE1 HIS 17 HE1 HIS 17 -5.132 20.587 12.114 888 HE2 HIS 17 HE2 HIS 17 -5.016 20.712 9.557 889 H LYS 18 H LYS 18 0.337 17.311 12.740 890 HA LYS 18 HA LYS 18 -0.000 19.853 13.915 891 HB2 LYS 18 HB1 LYS 18 0.735 17.888 15.100 892 HB3 LYS 18 HB2 LYS 18 2.210 17.790 14.107 893 HG2 LYS 18 HG1 LYS 18 1.690 20.077 15.995 894 HG3 LYS 18 HG2 LYS 18 2.418 18.544 16.531 895 HD2 LYS 18 HD1 LYS 18 4.427 19.195 15.881 896 HD3 LYS 18 HD2 LYS 18 3.840 19.534 14.236 897 HE2 LYS 18 HE1 LYS 18 3.200 21.833 15.038 898 HE3 LYS 18 HE2 LYS 18 4.029 21.460 16.565 899 HZ1 LYS 18 HZ1 LYS 18 5.461 22.645 15.043 900 HZ2 LYS 18 HZ2 LYS 18 6.053 21.131 15.311 901 HZ3 LYS 18 HZ3 LYS 18 5.284 21.476 13.894 902 H TYR 19 H TYR 19 2.230 18.862 11.397 903 HA TYR 19 HA TYR 19 3.937 21.259 11.746 904 HB2 TYR 19 HB1 TYR 19 4.327 18.711 10.128 905 HB3 TYR 19 HB2 TYR 19 5.534 19.984 10.378 906 HD1 TYR 19 HD1 TYR 19 3.666 17.249 11.881 907 HD2 TYR 19 HD2 TYR 19 6.830 20.074 12.527 908 HE1 TYR 19 HE1 TYR 19 4.231 16.085 13.996 909 HE2 TYR 19 HE2 TYR 19 7.420 18.910 14.646 910 HH TYR 19 HH TYR 19 6.833 17.274 16.150 911 H SER 20 H SER 20 1.866 19.592 9.381 912 HA SER 20 HA SER 20 2.304 21.563 7.293 913 HB2 SER 20 HB1 SER 20 0.357 20.361 6.209 914 HB3 SER 20 HB2 SER 20 1.805 19.385 6.556 915 HG SER 20 HG SER 20 -0.144 18.317 7.121 916 H GLY 21 H GLY 21 -0.411 20.928 9.575 917 HA2 GLY 21 HA2 GLY 21 -1.358 23.181 8.561 918 H ARG 22 H ARG 22 -0.660 24.695 8.520 919 HA ARG 22 HA ARG 22 -0.053 26.315 10.792 920 HB2 ARG 22 HB1 ARG 22 1.713 24.016 10.086 921 HB3 ARG 22 HB2 ARG 22 2.521 25.582 10.337 922 HG2 ARG 22 HG1 ARG 22 1.301 25.780 12.538 923 HG3 ARG 22 HG2 ARG 22 0.690 24.127 12.292 924 HD2 ARG 22 HD1 ARG 22 2.698 24.145 13.699 925 HD3 ARG 22 HD2 ARG 22 2.958 23.269 12.175 926 HE ARG 22 HE ARG 22 4.853 24.480 12.297 927 HH11 ARG 22 HH12 ARG 22 2.409 27.080 12.510 928 HH12 ARG 22 HH11 ARG 22 3.615 28.279 12.158 929 HH21 ARG 22 HH22 ARG 22 6.193 26.004 11.805 930 HH22 ARG 22 HH21 ARG 22 5.696 27.679 11.770 931 H GLU 23 H GLU 23 1.831 25.158 7.946 932 HA GLU 23 HA GLU 23 1.772 27.668 6.502 933 HB2 GLU 23 HB1 GLU 23 4.343 26.920 7.938 934 HB3 GLU 23 HB2 GLU 23 4.108 28.263 6.793 935 HG2 GLU 23 HG1 GLU 23 2.683 29.424 8.386 936 HG3 GLU 23 HG2 GLU 23 2.771 28.051 9.513 937 H GLY 24 H GLY 24 2.708 27.157 4.275 938 HA2 GLY 24 HA2 GLY 24 1.699 26.033 3.202 939 H SER 25 H SER 25 0.362 23.528 2.705 940 HA SER 25 HA SER 25 -2.021 24.604 4.100 941 HB2 SER 25 HB1 SER 25 -2.027 24.368 1.633 942 HB3 SER 25 HB2 SER 25 -1.791 22.612 1.818 943 HG SER 25 HG SER 25 -3.999 23.189 1.517 944 H LYS 26 H LYS 26 -3.618 22.092 4.015 945 HA LYS 26 HA LYS 26 -2.585 21.021 6.541 946 HB2 LYS 26 HB1 LYS 26 -5.171 20.617 5.012 947 HB3 LYS 26 HB2 LYS 26 -4.822 19.898 6.602 948 HG2 LYS 26 HG1 LYS 26 -4.788 21.979 7.685 949 HG3 LYS 26 HG2 LYS 26 -4.503 22.870 6.172 950 HD2 LYS 26 HD1 LYS 26 -7.091 21.605 7.094 951 HD3 LYS 26 HD2 LYS 26 -6.710 23.341 7.015 952 HE2 LYS 26 HE1 LYS 26 -7.443 21.435 4.824 953 HE3 LYS 26 HE2 LYS 26 -8.068 23.060 5.178 954 HZ1 LYS 26 HZ1 LYS 26 -6.738 23.034 3.194 955 HZ2 LYS 26 HZ2 LYS 26 -6.020 23.961 4.349 956 HZ3 LYS 26 HZ3 LYS 26 -5.439 22.453 4.021 957 H LEU 27 H LEU 27 -1.875 20.275 3.457 958 HA LEU 27 HA LEU 27 -1.096 17.478 4.056 959 HB2 LEU 27 HB1 LEU 27 -2.596 18.602 1.707 960 HB3 LEU 27 HB2 LEU 27 -1.460 17.262 1.427 961 HG LEU 27 HG LEU 27 -3.493 17.103 3.654 962 HD11 LEU 27 HD11 LEU 27 -5.085 16.039 2.095 963 HD12 LEU 27 HD12 LEU 27 -4.750 17.723 1.631 964 HD13 LEU 27 HD13 LEU 27 -3.987 16.384 0.739 965 HD21 LEU 27 HD21 LEU 27 -3.324 14.669 3.239 966 HD22 LEU 27 HD22 LEU 27 -2.198 14.977 1.897 967 HD23 LEU 27 HD23 LEU 27 -1.729 15.381 3.567 968 H THR 28 H THR 28 0.049 20.546 3.301 969 HA THR 28 HA THR 28 2.631 19.403 2.378 970 HB THR 28 HB THR 28 3.094 21.478 1.159 971 HG1 THR 28 HG1 THR 28 1.334 22.884 0.724 972 HG21 THR 28 HG21 THR 28 1.600 21.106 -0.780 973 HG22 THR 28 HG22 THR 28 2.163 19.570 -0.088 974 HG23 THR 28 HG23 THR 28 0.514 20.151 0.252 975 H LEU 29 H LEU 29 4.556 20.711 3.056 976 HA LEU 29 HA LEU 29 4.183 22.729 5.124 977 HB2 LEU 29 HB1 LEU 29 5.078 21.651 6.968 978 HB3 LEU 29 HB2 LEU 29 3.970 20.448 6.266 979 HG LEU 29 HG LEU 29 7.000 20.445 6.039 980 HD11 LEU 29 HD11 LEU 29 6.824 18.460 7.519 981 HD12 LEU 29 HD12 LEU 29 6.127 19.904 8.295 982 HD13 LEU 29 HD13 LEU 29 5.057 18.670 7.587 983 HD21 LEU 29 HD21 LEU 29 6.752 18.196 5.047 984 HD22 LEU 29 HD22 LEU 29 4.985 18.378 5.086 985 HD23 LEU 29 HD23 LEU 29 5.967 19.435 4.044 986 H SER 30 H SER 30 6.352 23.667 5.887 987 HA SER 30 HA SER 30 8.077 23.943 3.587 988 HB2 SER 30 HB1 SER 30 9.360 25.509 4.904 989 HB3 SER 30 HB2 SER 30 7.624 25.804 5.167 990 HG SER 30 HG SER 30 8.838 25.823 7.123 991 H ARG 31 H ARG 31 10.397 23.463 3.391 992 HA ARG 31 HA ARG 31 10.889 20.792 4.248 993 HB2 ARG 31 HB1 ARG 31 13.279 22.245 3.331 994 HB3 ARG 31 HB2 ARG 31 12.612 20.668 2.845 995 HG2 ARG 31 HG1 ARG 31 10.820 22.397 1.712 996 HG3 ARG 31 HG2 ARG 31 12.336 23.325 1.607 997 HD2 ARG 31 HD1 ARG 31 11.802 20.572 0.466 998 HD3 ARG 31 HD2 ARG 31 11.956 22.094 -0.439 999 HE ARG 31 HE ARG 31 14.353 21.886 0.866 1000 HH11 ARG 31 HH12 ARG 31 12.638 19.471 -1.071 1001 HH12 ARG 31 HH11 ARG 31 14.112 18.844 -1.764 1002 HH21 ARG 31 HH22 ARG 31 16.174 21.132 -0.128 1003 HH22 ARG 31 HH21 ARG 31 16.091 19.777 -1.233 1004 H LYS 32 H LYS 32 11.612 23.778 5.907 1005 HA LYS 32 HA LYS 32 13.482 22.426 7.718 1006 HB2 LYS 32 HB1 LYS 32 12.613 25.242 7.285 1007 HB3 LYS 32 HB2 LYS 32 13.198 24.793 8.905 1008 HG2 LYS 32 HG1 LYS 32 15.265 23.839 7.876 1009 HG3 LYS 32 HG2 LYS 32 14.685 24.347 6.272 1010 HD2 LYS 32 HD1 LYS 32 14.892 26.648 6.806 1011 HD3 LYS 32 HD2 LYS 32 15.041 26.315 8.546 1012 HE2 LYS 32 HE1 LYS 32 17.226 26.799 8.024 1013 HE3 LYS 32 HE2 LYS 32 17.222 25.034 7.807 1014 HZ1 LYS 32 HZ1 LYS 32 18.362 26.148 6.030 1015 HZ2 LYS 32 HZ2 LYS 32 17.018 25.390 5.458 1016 HZ3 LYS 32 HZ3 LYS 32 17.021 27.026 5.661 1017 H GLU 33 H GLU 33 10.004 23.430 7.881 1018 HA GLU 33 HA GLU 33 9.651 22.490 10.576 1019 HB2 GLU 33 HB1 GLU 33 8.027 23.925 9.448 1020 HB3 GLU 33 HB2 GLU 33 7.694 22.642 8.259 1021 HG2 GLU 33 HG1 GLU 33 5.958 22.193 9.607 1022 HG3 GLU 33 HG2 GLU 33 7.179 21.296 10.535 1023 H LEU 34 H LEU 34 9.553 20.761 7.391 1024 HA LEU 34 HA LEU 34 8.793 18.207 8.307 1025 HB2 LEU 34 HB1 LEU 34 8.982 18.820 5.966 1026 HB3 LEU 34 HB2 LEU 34 10.734 19.080 6.139 1027 HG LEU 34 HG LEU 34 11.030 16.658 6.612 1028 HD11 LEU 34 HD11 LEU 34 9.201 15.061 6.140 1029 HD12 LEU 34 HD12 LEU 34 8.800 16.112 7.517 1030 HD13 LEU 34 HD13 LEU 34 8.075 16.418 5.921 1031 HD21 LEU 34 HD21 LEU 34 10.600 15.951 4.282 1032 HD22 LEU 34 HD22 LEU 34 9.500 17.334 4.065 1033 HD23 LEU 34 HD23 LEU 34 11.234 17.615 4.340 1034 H LYS 35 H LYS 35 12.062 19.700 8.303 1035 HA LYS 35 HA LYS 35 13.433 17.480 9.444 1036 HB2 LYS 35 HB1 LYS 35 14.637 19.169 8.338 1037 HB3 LYS 35 HB2 LYS 35 13.885 20.459 9.307 1038 HG2 LYS 35 HG1 LYS 35 15.109 19.616 11.309 1039 HG3 LYS 35 HG2 LYS 35 15.918 18.414 10.274 1040 HD2 LYS 35 HD1 LYS 35 16.003 21.405 9.749 1041 HD3 LYS 35 HD2 LYS 35 17.226 20.550 10.719 1042 HE2 LYS 35 HE1 LYS 35 16.589 19.702 7.886 1043 HE3 LYS 35 HE2 LYS 35 17.732 21.020 8.222 1044 HZ1 LYS 35 HZ1 LYS 35 18.847 18.917 7.975 1045 HZ2 LYS 35 HZ2 LYS 35 19.029 19.479 9.514 1046 HZ3 LYS 35 HZ3 LYS 35 17.968 18.256 9.201 1047 H GLU 36 H GLU 36 11.545 20.124 11.057 1048 HA GLU 36 HA GLU 36 12.051 19.160 13.690 1049 HB2 GLU 36 HB1 GLU 36 10.938 21.376 13.224 1050 HB3 GLU 36 HB2 GLU 36 9.454 20.485 12.808 1051 HG2 GLU 36 HG1 GLU 36 9.640 19.305 15.025 1052 HG3 GLU 36 HG2 GLU 36 10.984 20.396 15.431 1053 H LEU 37 H LEU 37 9.404 18.322 11.364 1054 HA LEU 37 HA LEU 37 7.830 16.735 12.982 1055 HB2 LEU 37 HB1 LEU 37 7.052 17.374 10.862 1056 HB3 LEU 37 HB2 LEU 37 8.447 16.641 10.033 1057 HG LEU 37 HG LEU 37 7.592 14.430 10.426 1058 HD11 LEU 37 HD11 LEU 37 5.332 13.935 11.307 1059 HD12 LEU 37 HD12 LEU 37 6.376 14.650 12.547 1060 HD13 LEU 37 HD13 LEU 37 5.142 15.643 11.736 1061 HD21 LEU 37 HD21 LEU 37 5.567 14.559 8.988 1062 HD22 LEU 37 HD22 LEU 37 5.418 16.288 9.368 1063 HD23 LEU 37 HD23 LEU 37 6.819 15.697 8.443 1064 H ILE 38 H ILE 38 10.491 15.492 10.908 1065 HA ILE 38 HA ILE 38 10.080 12.803 11.775 1066 HB ILE 38 HB ILE 38 12.374 14.130 10.302 1067 HG12 ILE 38 HG13 ILE 38 10.012 12.480 9.302 1068 HG13 ILE 38 HG12 ILE 38 10.074 14.259 9.290 1069 HG21 ILE 38 HG21 ILE 38 12.991 11.855 9.548 1070 HG22 ILE 38 HG22 ILE 38 13.128 12.010 11.315 1071 HG23 ILE 38 HG23 ILE 38 11.733 11.166 10.600 1072 HD11 ILE 38 HD11 ILE 38 10.620 13.333 7.066 1073 HD12 ILE 38 HD12 ILE 38 12.011 14.181 7.772 1074 HD13 ILE 38 HD13 ILE 38 11.950 12.402 7.785 1075 H LYS 39 H LYS 39 12.226 15.352 13.128 1076 HA LYS 39 HA LYS 39 13.417 13.394 14.949 1077 HB2 LYS 39 HB1 LYS 39 14.092 16.033 13.991 1078 HB3 LYS 39 HB2 LYS 39 14.166 15.984 15.769 1079 HG2 LYS 39 HG1 LYS 39 15.685 14.261 13.794 1080 HG3 LYS 39 HG2 LYS 39 16.343 15.482 14.910 1081 HD2 LYS 39 HD1 LYS 39 15.176 12.775 15.627 1082 HD3 LYS 39 HD2 LYS 39 16.882 13.277 15.722 1083 HE2 LYS 39 HE1 LYS 39 16.540 14.552 17.642 1084 HE3 LYS 39 HE2 LYS 39 14.803 14.757 17.327 1085 HZ1 LYS 39 HZ1 LYS 39 15.208 13.223 19.114 1086 HZ2 LYS 39 HZ2 LYS 39 14.502 12.440 17.846 1087 HZ3 LYS 39 HZ3 LYS 39 16.114 12.250 18.139 1088 H LYS 40 H LYS 40 10.630 15.469 15.128 1089 HA LYS 40 HA LYS 40 10.386 15.213 18.039 1090 HB2 LYS 40 HB1 LYS 40 8.492 16.013 15.803 1091 HB3 LYS 40 HB2 LYS 40 8.045 16.007 17.526 1092 HG2 LYS 40 HG1 LYS 40 10.276 17.672 16.375 1093 HG3 LYS 40 HG2 LYS 40 8.600 18.240 16.567 1094 HD2 LYS 40 HD1 LYS 40 8.731 17.819 18.996 1095 HD3 LYS 40 HD2 LYS 40 10.402 17.237 18.808 1096 HE2 LYS 40 HE1 LYS 40 10.674 19.528 19.316 1097 HE3 LYS 40 HE2 LYS 40 10.826 19.457 17.547 1098 HZ1 LYS 40 HZ1 LYS 40 9.465 21.294 18.247 1099 HZ2 LYS 40 HZ2 LYS 40 8.567 20.216 17.385 1100 HZ3 LYS 40 HZ3 LYS 40 8.425 20.284 19.027 1101 H GLU 41 H GLU 41 8.969 13.771 15.120 1102 HA GLU 41 HA GLU 41 7.421 11.719 16.254 1103 HB2 GLU 41 HB1 GLU 41 8.976 11.840 13.656 1104 HB3 GLU 41 HB2 GLU 41 8.049 10.398 14.136 1105 HG2 GLU 41 HG1 GLU 41 6.027 11.936 14.342 1106 HG3 GLU 41 HG2 GLU 41 7.007 13.173 13.522 1107 H LEU 42 H LEU 42 10.914 11.574 15.225 1108 HA LEU 42 HA LEU 42 11.078 8.985 16.665 1109 HB2 LEU 42 HB1 LEU 42 11.574 9.727 13.910 1110 HB3 LEU 42 HB2 LEU 42 13.065 9.101 14.653 1111 HG LEU 42 HG LEU 42 11.824 7.355 13.505 1112 HD11 LEU 42 HD11 LEU 42 11.721 5.666 15.303 1113 HD12 LEU 42 HD12 LEU 42 13.152 6.708 15.459 1114 HD13 LEU 42 HD13 LEU 42 11.743 6.966 16.514 1115 HD21 LEU 42 HD21 LEU 42 9.616 6.580 14.288 1116 HD22 LEU 42 HD22 LEU 42 9.572 7.911 15.465 1117 HD23 LEU 42 HD23 LEU 42 9.557 8.262 13.719 1118 H CYS 43 H CYS 43 12.879 8.390 17.642 1119 HA CYS 43 HA CYS 43 15.155 10.275 17.938 1120 HB2 CYS 43 HB1 CYS 43 14.035 7.953 19.492 1121 HB3 CYS 43 HB2 CYS 43 15.768 8.337 19.633 1122 HG CYS 43 HG CYS 43 14.447 9.450 21.607 1123 H LEU 44 H LEU 44 16.551 10.121 16.341 1124 HA LEU 44 HA LEU 44 17.614 7.561 15.402 1125 HB2 LEU 44 HB1 LEU 44 16.152 9.562 13.660 1126 HB3 LEU 44 HB2 LEU 44 17.358 8.435 12.994 1127 HG LEU 44 HG LEU 44 14.829 7.632 14.468 1128 HD11 LEU 44 HD11 LEU 44 14.005 6.921 12.245 1129 HD12 LEU 44 HD12 LEU 44 14.345 8.666 12.282 1130 HD13 LEU 44 HD13 LEU 44 15.490 7.551 11.497 1131 HD21 LEU 44 HD21 LEU 44 15.328 5.352 13.644 1132 HD22 LEU 44 HD22 LEU 44 16.832 5.950 12.912 1133 HD23 LEU 44 HD23 LEU 44 16.634 5.966 14.681 1134 H GLY 45 H GLY 45 17.851 11.165 15.329 1135 HA2 GLY 45 HA2 GLY 45 20.410 10.567 14.868 1136 H GLU 46 H GLU 46 20.929 9.494 16.142 1137 HA GLU 46 HA GLU 46 22.256 10.274 18.462 1138 HB2 GLU 46 HB1 GLU 46 20.508 9.911 20.179 1139 HB3 GLU 46 HB2 GLU 46 20.231 11.365 19.191 1140 HG2 GLU 46 HG1 GLU 46 18.838 9.201 17.956 1141 HG3 GLU 46 HG2 GLU 46 18.470 9.156 19.694 1142 H MET 47 H MET 47 20.107 7.891 16.854 1143 HA MET 47 HA MET 47 21.798 5.705 17.956 1144 HB2 MET 47 HB1 MET 47 19.241 5.625 16.313 1145 HB3 MET 47 HB2 MET 47 20.134 4.200 16.895 1146 HG2 MET 47 HG1 MET 47 19.814 5.150 19.243 1147 HG3 MET 47 HG2 MET 47 18.660 6.284 18.522 1148 HE1 MET 47 HE1 MET 47 16.247 3.394 16.882 1149 HE2 MET 47 HE2 MET 47 16.721 5.101 16.723 1150 HE3 MET 47 HE3 MET 47 17.846 3.814 16.226 1151 H LYS 48 H LYS 48 21.016 7.439 15.049 1152 HA LYS 48 HA LYS 48 23.091 6.084 13.441 1153 HB2 LYS 48 HB1 LYS 48 20.186 6.710 12.887 1154 HB3 LYS 48 HB2 LYS 48 21.351 6.711 11.541 1155 HG2 LYS 48 HG1 LYS 48 20.899 4.394 13.455 1156 HG3 LYS 48 HG2 LYS 48 20.182 4.531 11.832 1157 HD2 LYS 48 HD1 LYS 48 23.157 4.397 12.457 1158 HD3 LYS 48 HD2 LYS 48 22.161 3.056 11.841 1159 HE2 LYS 48 HE1 LYS 48 21.896 4.057 9.726 1160 HE3 LYS 48 HE2 LYS 48 22.334 5.672 10.327 1161 HZ1 LYS 48 HZ1 LYS 48 24.079 4.710 9.014 1162 HZ2 LYS 48 HZ2 LYS 48 24.580 4.901 10.571 1163 HZ3 LYS 48 HZ3 LYS 48 24.174 3.402 10.013 1164 H GLU 49 H GLU 49 23.395 7.443 11.373 1165 HA GLU 49 HA GLU 49 23.948 10.239 11.813 1166 HB2 GLU 49 HB1 GLU 49 26.537 9.533 11.758 1167 HB3 GLU 49 HB2 GLU 49 25.632 9.882 13.250 1168 HG2 GLU 49 HG1 GLU 49 27.149 7.885 13.369 1169 HG3 GLU 49 HG2 GLU 49 25.453 7.562 13.790 1170 H SER 50 H SER 50 26.296 8.093 10.213 1171 HA SER 50 HA SER 50 25.924 9.162 7.627 1172 HB2 SER 50 HB1 SER 50 27.932 7.944 8.494 1173 HB3 SER 50 HB2 SER 50 27.000 6.430 8.423 1174 HG SER 50 HG SER 50 28.291 6.767 6.552 1175 H SER 51 H SER 51 24.803 8.541 5.869 1176 HA SER 51 HA SER 51 23.157 7.786 4.594 1177 HB2 SER 51 HB1 SER 51 22.909 5.409 6.452 1178 HB3 SER 51 HB2 SER 51 22.052 5.600 4.905 1179 HG SER 51 HG SER 51 23.992 4.379 4.702 1180 H ILE 52 H ILE 52 22.418 8.590 7.938 1181 HA ILE 52 HA ILE 52 19.760 9.294 6.836 1182 HB ILE 52 HB ILE 52 18.939 9.774 9.044 1183 HG12 ILE 52 HG13 ILE 52 20.095 8.713 11.035 1184 HG13 ILE 52 HG12 ILE 52 21.601 8.840 10.093 1185 HG21 ILE 52 HG21 ILE 52 18.766 7.398 9.759 1186 HG22 ILE 52 HG22 ILE 52 18.675 7.554 7.991 1187 HG23 ILE 52 HG23 ILE 52 20.182 7.003 8.761 1188 HD11 ILE 52 HD11 ILE 52 21.387 10.717 11.692 1189 HD12 ILE 52 HD12 ILE 52 21.344 11.284 10.011 1190 HD13 ILE 52 HD13 ILE 52 19.836 11.159 10.951 1191 H ASP 53 H ASP 53 22.787 10.787 7.849 1192 HA ASP 53 HA ASP 53 21.498 13.364 8.170 1193 HB2 ASP 53 HB1 ASP 53 23.608 12.630 9.398 1194 HB3 ASP 53 HB2 ASP 53 24.481 13.004 7.896 1195 H ASP 54 H ASP 54 23.027 11.769 5.373 1196 HA ASP 54 HA ASP 54 23.437 13.954 3.674 1197 HB2 ASP 54 HB1 ASP 54 23.909 11.687 2.926 1198 HB3 ASP 54 HB2 ASP 54 22.191 11.245 3.042 1199 H LEU 55 H LEU 55 20.417 12.323 4.519 1200 HA LEU 55 HA LEU 55 18.673 13.757 2.746 1201 HB2 LEU 55 HB1 LEU 55 18.107 12.075 5.214 1202 HB3 LEU 55 HB2 LEU 55 16.960 12.475 3.912 1203 HG LEU 55 HG LEU 55 19.497 10.848 3.500 1204 HD11 LEU 55 HD11 LEU 55 18.018 8.867 3.475 1205 HD12 LEU 55 HD12 LEU 55 17.963 9.694 5.049 1206 HD13 LEU 55 HD13 LEU 55 16.629 9.899 3.890 1207 HD21 LEU 55 HD21 LEU 55 18.423 10.184 1.373 1208 HD22 LEU 55 HD22 LEU 55 17.035 11.230 1.750 1209 HD23 LEU 55 HD23 LEU 55 18.638 11.946 1.466 1210 H MET 56 H MET 56 19.423 14.016 6.260 1211 HA MET 56 HA MET 56 17.856 16.276 6.867 1212 HB2 MET 56 HB1 MET 56 20.430 15.128 7.933 1213 HB3 MET 56 HB2 MET 56 19.859 16.708 8.519 1214 HG2 MET 56 HG1 MET 56 18.220 14.158 8.566 1215 HG3 MET 56 HG2 MET 56 19.162 14.768 9.937 1216 HE1 MET 56 HE1 MET 56 14.928 15.798 8.819 1217 HE2 MET 56 HE2 MET 56 16.094 15.334 7.558 1218 HE3 MET 56 HE3 MET 56 15.790 14.246 8.934 1219 H LYS 57 H LYS 57 21.113 16.127 5.356 1220 HA LYS 57 HA LYS 57 21.336 19.006 5.110 1221 HB2 LYS 57 HB1 LYS 57 23.042 16.816 4.919 1222 HB3 LYS 57 HB2 LYS 57 22.907 17.384 3.238 1223 HG2 LYS 57 HG1 LYS 57 23.866 18.961 5.639 1224 HG3 LYS 57 HG2 LYS 57 24.843 18.368 4.275 1225 HD2 LYS 57 HD1 LYS 57 24.626 20.466 3.480 1226 HD3 LYS 57 HD2 LYS 57 22.997 19.944 2.989 1227 HE2 LYS 57 HE1 LYS 57 22.146 20.726 5.226 1228 HE3 LYS 57 HE2 LYS 57 23.764 21.381 5.561 1229 HZ1 LYS 57 HZ1 LYS 57 22.276 23.061 4.745 1230 HZ2 LYS 57 HZ2 LYS 57 23.502 22.818 3.672 1231 HZ3 LYS 57 HZ3 LYS 57 22.000 22.211 3.361 1232 H SER 58 H SER 58 19.878 16.458 3.196 1233 HA SER 58 HA SER 58 19.947 17.765 0.651 1234 HB2 SER 58 HB1 SER 58 19.836 15.276 1.089 1235 HB3 SER 58 HB2 SER 58 18.115 15.504 1.488 1236 HG SER 58 HG SER 58 18.454 14.975 -0.720 1237 H LEU 59 H LEU 59 17.270 17.419 3.090 1238 HA LEU 59 HA LEU 59 15.374 19.078 1.823 1239 HB2 LEU 59 HB1 LEU 59 16.149 19.021 4.765 1240 HB3 LEU 59 HB2 LEU 59 14.620 19.637 4.096 1241 HG LEU 59 HG LEU 59 15.574 16.758 4.128 1242 HD11 LEU 59 HD11 LEU 59 13.637 16.422 5.629 1243 HD12 LEU 59 HD12 LEU 59 14.777 17.615 6.298 1244 HD13 LEU 59 HD13 LEU 59 13.264 18.159 5.536 1245 HD21 LEU 59 HD21 LEU 59 13.391 16.185 3.129 1246 HD22 LEU 59 HD22 LEU 59 13.004 17.914 2.989 1247 HD23 LEU 59 HD23 LEU 59 14.348 17.224 2.049 1248 H ASP 60 H ASP 60 18.163 19.874 3.789 1249 HA ASP 60 HA ASP 60 17.899 22.750 3.621 1250 HB2 ASP 60 HB1 ASP 60 18.650 21.172 5.557 1251 HB3 ASP 60 HB2 ASP 60 20.236 21.242 4.759 1252 H LYS 61 H LYS 61 18.846 20.775 1.160 1253 HA LYS 61 HA LYS 61 20.994 22.365 0.067 1254 HB2 LYS 61 HB1 LYS 61 18.780 20.728 -1.229 1255 HB3 LYS 61 HB2 LYS 61 20.107 21.494 -2.134 1256 HG2 LYS 61 HG1 LYS 61 20.874 19.722 0.133 1257 HG3 LYS 61 HG2 LYS 61 20.157 18.935 -1.293 1258 HD2 LYS 61 HD1 LYS 61 22.523 20.821 -1.486 1259 HD3 LYS 61 HD2 LYS 61 22.703 19.070 -1.219 1260 HE2 LYS 61 HE1 LYS 61 21.299 18.703 -3.298 1261 HE3 LYS 61 HE2 LYS 61 21.391 20.453 -3.594 1262 HZ1 LYS 61 HZ1 LYS 61 23.068 19.256 -4.808 1263 HZ2 LYS 61 HZ2 LYS 61 23.774 20.244 -3.694 1264 HZ3 LYS 61 HZ3 LYS 61 23.689 18.620 -3.419 1265 H ASN 62 H ASN 62 17.648 22.858 0.545 1266 HA ASN 62 HA ASN 62 17.722 25.677 -0.284 1267 HB2 ASN 62 HB1 ASN 62 15.359 23.933 -1.001 1268 HB3 ASN 62 HB2 ASN 62 15.754 25.570 -1.568 1269 HD21 ASN 62 HD21 ASN 62 17.331 25.826 -3.262 1270 HD22 ASN 62 HD22 ASN 62 17.810 24.468 -4.268 1271 H SER 63 H SER 63 14.748 25.792 0.583 1272 HA SER 63 HA SER 63 14.239 24.096 2.731 1273 HB2 SER 63 HB1 SER 63 14.242 25.989 4.576 1274 HB3 SER 63 HB2 SER 63 15.622 24.899 4.305 1275 HG SER 63 HG SER 63 16.256 27.086 4.584 1276 H ASP 64 H ASP 64 13.442 26.932 1.006 1277 HA ASP 64 HA ASP 64 11.324 27.845 2.880 1278 HB2 ASP 64 HB1 ASP 64 12.855 29.330 0.704 1279 HB3 ASP 64 HB2 ASP 64 11.860 30.035 1.998 1280 H GLN 65 H GLN 65 10.807 25.704 1.366 1281 HA GLN 65 HA GLN 65 8.962 26.471 -0.810 1282 HB2 GLN 65 HB1 GLN 65 10.161 23.996 -1.474 1283 HB3 GLN 65 HB2 GLN 65 10.247 25.534 -2.365 1284 HG2 GLN 65 HG1 GLN 65 12.252 24.611 -0.307 1285 HG3 GLN 65 HG2 GLN 65 12.410 24.384 -2.062 1286 HE21 GLN 65 HE12 GLN 65 11.327 27.230 -2.567 1287 HE22 GLN 65 HE22 GLN 65 12.690 28.247 -2.168 1288 H GLU 66 H GLU 66 7.378 24.644 -1.194 1289 HA GLU 66 HA GLU 66 6.779 23.231 1.270 1290 HB2 GLU 66 HB1 GLU 66 5.499 23.187 -1.476 1291 HB3 GLU 66 HB2 GLU 66 4.910 22.233 -0.094 1292 HG2 GLU 66 HG1 GLU 66 4.408 24.232 1.164 1293 HG3 GLU 66 HG2 GLU 66 5.217 25.260 -0.038 1294 H ILE 67 H ILE 67 6.872 21.094 1.709 1295 HA ILE 67 HA ILE 67 7.389 19.149 -0.484 1296 HB ILE 67 HB ILE 67 8.307 19.273 2.367 1297 HG12 ILE 67 HG13 ILE 67 9.500 18.036 -0.144 1298 HG13 ILE 67 HG12 ILE 67 9.695 19.746 0.308 1299 HG21 ILE 67 HG21 ILE 67 8.637 16.831 2.494 1300 HG22 ILE 67 HG22 ILE 67 6.911 17.251 2.408 1301 HG23 ILE 67 HG23 ILE 67 7.751 16.633 0.965 1302 HD11 ILE 67 HD11 ILE 67 11.683 18.421 0.954 1303 HD12 ILE 67 HD12 ILE 67 10.844 19.068 2.381 1304 HD13 ILE 67 HD13 ILE 67 10.648 17.356 1.930 1305 H ASP 68 H ASP 68 5.991 17.374 -0.577 1306 HA ASP 68 HA ASP 68 3.363 17.672 0.730 1307 HB2 ASP 68 HB1 ASP 68 2.485 16.589 -1.108 1308 HB3 ASP 68 HB2 ASP 68 3.911 17.351 -1.845 1309 H PHE 69 H PHE 69 2.234 15.395 0.957 1310 HA PHE 69 HA PHE 69 3.421 14.006 3.133 1311 HB2 PHE 69 HB1 PHE 69 1.005 14.416 2.620 1312 HB3 PHE 69 HB2 PHE 69 1.118 13.219 1.320 1313 HD1 PHE 69 HD1 PHE 69 1.824 13.519 5.008 1314 HD2 PHE 69 HD2 PHE 69 0.373 11.079 1.773 1315 HE1 PHE 69 HE1 PHE 69 1.203 11.736 6.628 1316 HE2 PHE 69 HE2 PHE 69 -0.178 9.266 3.383 1317 HZ PHE 69 HZ PHE 69 0.252 9.591 5.810 1318 H LYS 70 H LYS 70 3.902 13.421 -0.312 1319 HA LYS 70 HA LYS 70 4.417 10.547 -0.030 1320 HB2 LYS 70 HB1 LYS 70 3.314 11.592 -1.988 1321 HB3 LYS 70 HB2 LYS 70 4.810 12.495 -2.326 1322 HG2 LYS 70 HG1 LYS 70 5.598 9.797 -2.241 1323 HG3 LYS 70 HG2 LYS 70 4.049 9.799 -3.117 1324 HD2 LYS 70 HD1 LYS 70 5.820 10.102 -4.743 1325 HD3 LYS 70 HD2 LYS 70 4.967 11.656 -4.574 1326 HE2 LYS 70 HE1 LYS 70 6.732 12.351 -2.907 1327 HE3 LYS 70 HE2 LYS 70 7.617 10.862 -3.306 1328 HZ1 LYS 70 HZ1 LYS 70 8.447 12.741 -4.514 1329 HZ2 LYS 70 HZ2 LYS 70 7.791 11.643 -5.550 1330 HZ3 LYS 70 HZ3 LYS 70 6.968 13.023 -5.180 1331 H GLU 71 H GLU 71 6.363 13.470 -0.805 1332 HA GLU 71 HA GLU 71 8.930 12.258 -0.780 1333 HB2 GLU 71 HB1 GLU 71 8.010 15.011 0.111 1334 HB3 GLU 71 HB2 GLU 71 9.701 14.544 -0.195 1335 HG2 GLU 71 HG1 GLU 71 7.622 14.252 -2.359 1336 HG3 GLU 71 HG2 GLU 71 8.362 15.834 -2.027 1337 H TYR 72 H TYR 72 6.747 13.306 1.838 1338 HA TYR 72 HA TYR 72 8.596 12.869 3.999 1339 HB2 TYR 72 HB1 TYR 72 6.889 14.331 4.482 1340 HB3 TYR 72 HB2 TYR 72 5.658 13.338 3.685 1341 HD1 TYR 72 HD1 TYR 72 7.943 13.217 6.712 1342 HD2 TYR 72 HD2 TYR 72 4.161 12.145 4.956 1343 HE1 TYR 72 HE1 TYR 72 7.150 12.400 8.927 1344 HE2 TYR 72 HE2 TYR 72 3.333 11.426 7.177 1345 HH TYR 72 HH TYR 72 3.760 11.182 9.371 1346 H SER 73 H SER 73 5.993 10.755 2.600 1347 HA SER 73 HA SER 73 6.429 8.626 4.444 1348 HB2 SER 73 HB1 SER 73 5.100 7.272 2.961 1349 HB3 SER 73 HB2 SER 73 4.388 8.898 3.093 1350 HG SER 73 HG SER 73 4.441 8.123 0.942 1351 H VAL 74 H VAL 74 7.879 9.195 1.157 1352 HA VAL 74 HA VAL 74 9.470 6.829 1.333 1353 HB VAL 74 HB VAL 74 10.844 7.627 -0.438 1354 HG11 VAL 74 HG11 VAL 74 9.136 7.829 -2.198 1355 HG12 VAL 74 HG12 VAL 74 8.691 6.620 -0.974 1356 HG13 VAL 74 HG13 VAL 74 7.923 8.226 -0.963 1357 HG21 VAL 74 HG21 VAL 74 10.564 9.780 -1.583 1358 HG22 VAL 74 HG22 VAL 74 9.408 10.281 -0.332 1359 HG23 VAL 74 HG23 VAL 74 11.109 9.979 0.093 1360 H PHE 75 H PHE 75 10.039 10.120 2.638 1361 HA PHE 75 HA PHE 75 12.795 9.634 3.305 1362 HB2 PHE 75 HB1 PHE 75 11.459 11.840 3.188 1363 HB3 PHE 75 HB2 PHE 75 10.914 11.437 4.825 1364 HD1 PHE 75 HD1 PHE 75 13.067 10.717 6.437 1365 HD2 PHE 75 HD2 PHE 75 13.145 13.376 3.052 1366 HE1 PHE 75 HE1 PHE 75 15.018 11.903 7.411 1367 HE2 PHE 75 HE2 PHE 75 15.128 14.524 4.002 1368 HZ PHE 75 HZ PHE 75 16.067 13.792 6.183 1369 H LEU 76 H LEU 76 9.754 9.318 5.315 1370 HA LEU 76 HA LEU 76 11.025 8.248 7.602 1371 HB2 LEU 76 HB1 LEU 76 8.252 7.946 6.434 1372 HB3 LEU 76 HB2 LEU 76 8.721 7.141 7.951 1373 HG LEU 76 HG LEU 76 8.686 10.142 7.448 1374 HD11 LEU 76 HD11 LEU 76 6.792 10.049 9.049 1375 HD12 LEU 76 HD12 LEU 76 6.462 9.050 7.611 1376 HD13 LEU 76 HD13 LEU 76 6.950 8.278 9.139 1377 HD21 LEU 76 HD21 LEU 76 9.152 10.342 9.873 1378 HD22 LEU 76 HD22 LEU 76 9.310 8.574 9.988 1379 HD23 LEU 76 HD23 LEU 76 10.482 9.512 9.030 1380 H THR 77 H THR 77 9.612 6.523 4.786 1381 HA THR 77 HA THR 77 10.271 3.878 5.507 1382 HB THR 77 HB THR 77 10.133 5.208 2.776 1383 HG1 THR 77 HG1 THR 77 8.035 4.295 2.891 1384 HG21 THR 77 HG21 THR 77 9.723 2.915 1.937 1385 HG22 THR 77 HG22 THR 77 11.331 3.043 2.689 1386 HG23 THR 77 HG23 THR 77 9.994 2.269 3.574 1387 H MET 78 H MET 78 12.184 6.290 3.673 1388 HA MET 78 HA MET 78 14.438 4.623 3.204 1389 HB2 MET 78 HB1 MET 78 13.884 6.600 1.896 1390 HB3 MET 78 HB2 MET 78 14.171 7.639 3.313 1391 HG2 MET 78 HG1 MET 78 16.439 7.455 3.172 1392 HG3 MET 78 HG2 MET 78 16.378 5.848 2.425 1393 HE1 MET 78 HE1 MET 78 15.317 9.684 -0.001 1394 HE2 MET 78 HE2 MET 78 14.200 8.849 1.100 1395 HE3 MET 78 HE3 MET 78 15.614 9.712 1.750 1396 H LEU 79 H LEU 79 13.659 6.734 5.999 1397 HA LEU 79 HA LEU 79 16.161 6.226 7.329 1398 HB2 LEU 79 HB1 LEU 79 13.611 7.566 7.901 1399 HB3 LEU 79 HB2 LEU 79 14.363 6.804 9.325 1400 HG LEU 79 HG LEU 79 16.354 8.072 9.083 1401 HD11 LEU 79 HD11 LEU 79 16.834 9.670 7.254 1402 HD12 LEU 79 HD12 LEU 79 16.673 8.009 6.646 1403 HD13 LEU 79 HD13 LEU 79 15.340 9.171 6.437 1404 HD21 LEU 79 HD21 LEU 79 15.513 10.394 9.244 1405 HD22 LEU 79 HD22 LEU 79 13.985 9.890 8.485 1406 HD23 LEU 79 HD23 LEU 79 14.438 9.253 10.084 1407 H CYS 80 H CYS 80 12.901 4.666 7.722 1408 HA CYS 80 HA CYS 80 13.742 2.591 9.434 1409 HB2 CYS 80 HB1 CYS 80 11.407 3.368 8.774 1410 HB3 CYS 80 HB2 CYS 80 11.595 2.385 7.300 1411 HG CYS 80 HG CYS 80 10.143 1.091 9.054 1412 H MET 81 H MET 81 14.548 2.980 6.138 1413 HA MET 81 HA MET 81 15.585 0.252 5.728 1414 HB2 MET 81 HB1 MET 81 14.244 1.293 4.010 1415 HB3 MET 81 HB2 MET 81 15.301 2.723 4.002 1416 HG2 MET 81 HG1 MET 81 17.048 0.669 3.397 1417 HG3 MET 81 HG2 MET 81 15.559 0.172 2.577 1418 HE1 MET 81 HE1 MET 81 18.036 3.954 1.915 1419 HE2 MET 81 HE2 MET 81 17.222 3.578 3.459 1420 HE3 MET 81 HE3 MET 81 18.505 2.506 2.849 1421 H ALA 82 H ALA 82 16.806 3.471 6.559 1422 HA ALA 82 HA ALA 82 19.474 3.208 5.597 1423 HB1 ALA 82 HB1 ALA 82 19.846 5.286 6.885 1424 HB2 ALA 82 HB2 ALA 82 18.323 5.352 5.970 1425 HB3 ALA 82 HB3 ALA 82 18.295 5.042 7.722 1426 H TYR 83 H TYR 83 18.284 1.331 7.928 1427 HA TYR 83 HA TYR 83 20.838 0.639 9.078 1428 HB2 TYR 83 HB1 TYR 83 20.101 0.928 11.440 1429 HB3 TYR 83 HB2 TYR 83 20.408 2.433 10.557 1430 HD1 TYR 83 HD1 TYR 83 17.812 0.316 12.142 1431 HD2 TYR 83 HD2 TYR 83 18.647 4.042 10.148 1432 HE1 TYR 83 HE1 TYR 83 15.533 1.126 12.713 1433 HE2 TYR 83 HE2 TYR 83 16.444 4.916 10.867 1434 HH TYR 83 HH TYR 83 14.400 4.408 11.751 1435 H ASN 84 H ASN 84 18.659 -0.553 7.438 1436 HA ASN 84 HA ASN 84 17.302 -2.467 9.219 1437 HB2 ASN 84 HB1 ASN 84 16.222 -1.027 7.384 1438 HB3 ASN 84 HB2 ASN 84 16.979 -2.146 6.230 1439 HD21 ASN 84 HD21 ASN 84 14.160 -1.490 7.818 1440 HD22 ASN 84 HD22 ASN 84 13.451 -3.093 7.853 1441 H ASP 85 H ASP 85 17.927 -4.419 9.532 1442 HA ASP 85 HA ASP 85 18.782 -6.364 7.696 1443 HB2 ASP 85 HB1 ASP 85 20.984 -4.788 8.926 1444 HB3 ASP 85 HB2 ASP 85 21.156 -6.553 9.022 1445 H PHE 86 H PHE 86 18.584 -5.133 10.981 1446 HA PHE 86 HA PHE 86 18.774 -7.508 12.498 1447 HB2 PHE 86 HB1 PHE 86 17.114 -5.020 13.038 1448 HB3 PHE 86 HB2 PHE 86 17.704 -6.177 14.242 1449 HD1 PHE 86 HD1 PHE 86 20.277 -6.441 14.475 1450 HD2 PHE 86 HD2 PHE 86 18.395 -3.112 12.494 1451 HE1 PHE 86 HE1 PHE 86 22.359 -5.116 14.727 1452 HE2 PHE 86 HE2 PHE 86 20.481 -1.791 12.740 1453 HZ PHE 86 HZ PHE 86 22.465 -2.785 13.860 1454 H PHE 87 H PHE 87 16.510 -6.997 10.157 1455 HA PHE 87 HA PHE 87 14.372 -8.611 11.461 1456 HB2 PHE 87 HB1 PHE 87 14.031 -6.686 9.141 1457 HB3 PHE 87 HB2 PHE 87 12.784 -7.360 10.203 1458 HD1 PHE 87 HD2 PHE 87 12.906 -6.679 12.737 1459 HD2 PHE 87 HD1 PHE 87 14.947 -4.556 9.595 1460 HE1 PHE 87 HE2 PHE 87 13.224 -4.735 14.249 1461 HE2 PHE 87 HE1 PHE 87 15.251 -2.608 11.105 1462 HZ PHE 87 HZ PHE 87 14.381 -2.692 13.431 1463 H LEU 88 H LEU 88 16.893 -8.852 9.402 1464 HA LEU 88 HA LEU 88 15.653 -10.377 7.205 1465 HB2 LEU 88 HB1 LEU 88 17.628 -8.440 7.387 1466 HB3 LEU 88 HB2 LEU 88 18.561 -9.944 7.209 1467 HG LEU 88 HG LEU 88 16.329 -9.071 5.355 1468 HD11 LEU 88 HD11 LEU 88 18.126 -8.452 3.773 1469 HD12 LEU 88 HD12 LEU 88 18.227 -7.504 5.276 1470 HD13 LEU 88 HD13 LEU 88 19.345 -8.862 5.003 1471 HD21 LEU 88 HD21 LEU 88 17.207 -10.786 3.811 1472 HD22 LEU 88 HD22 LEU 88 18.416 -11.253 5.026 1473 HD23 LEU 88 HD23 LEU 88 16.683 -11.500 5.351 1474 H GLU 89 H GLU 89 18.290 -11.871 6.927 1475 HA GLU 89 HA GLU 89 18.765 -13.504 9.222 1476 HB2 GLU 89 HB1 GLU 89 16.535 -14.355 7.657 1477 HB3 GLU 89 HB2 GLU 89 17.876 -15.480 7.334 1478 HG2 GLU 89 HG1 GLU 89 18.104 -16.029 9.649 1479 HG3 GLU 89 HG2 GLU 89 17.079 -14.667 10.150 1480 H ASP 90 H ASP 90 18.888 -13.127 5.675 1481 HA ASP 90 HA ASP 90 21.777 -13.692 5.718 1482 HB2 ASP 90 HB1 ASP 90 21.610 -15.312 3.923 1483 HB3 ASP 90 HB2 ASP 90 20.655 -15.843 5.324 1484 H ASN 91 H ASN 91 22.734 -11.990 4.814 1485 HA ASN 91 HA ASN 91 22.229 -11.271 2.109 1486 HB2 ASN 91 HB1 ASN 91 20.340 -10.077 3.467 1487 HB3 ASN 91 HB2 ASN 91 21.627 -8.938 3.917 1488 HD21 ASN 91 HD21 ASN 91 20.425 -10.601 0.945 1489 HD22 ASN 91 HD22 ASN 91 20.496 -9.175 -0.074 1490 H LYS 92 H LYS 92 24.020 -10.789 5.040 1491 HA LYS 92 HA LYS 92 26.405 -10.038 3.464 1492 HB2 LYS 92 HB1 LYS 92 25.631 -8.732 6.100 1493 HB3 LYS 92 HB2 LYS 92 27.195 -8.550 5.270 1494 HG2 LYS 92 HG1 LYS 92 26.223 -6.633 4.530 1495 HG3 LYS 92 HG2 LYS 92 25.570 -7.728 3.289 1496 HD2 LYS 92 HD1 LYS 92 23.582 -8.025 4.991 1497 HD3 LYS 92 HD2 LYS 92 24.183 -6.495 5.672 1498 HE2 LYS 92 HE1 LYS 92 24.058 -5.483 3.380 1499 HE3 LYS 92 HE2 LYS 92 23.335 -6.995 2.788 1500 HZ1 LYS 92 HZ1 LYS 92 21.675 -5.367 3.330 1501 HZ2 LYS 92 HZ2 LYS 92 21.542 -6.669 4.336 1502 HZ3 LYS 92 HZ3 LYS 92 22.212 -5.265 4.885 Start of MODEL 9 1 HA MET 1 HA MET 1 10.427 0.075 19.455 2 HB2 MET 1 HB1 MET 1 10.861 1.382 16.796 3 HB3 MET 1 HB2 MET 1 11.503 2.142 18.271 4 HG2 MET 1 HG1 MET 1 13.219 0.733 17.360 5 HG3 MET 1 HG2 MET 1 12.611 -0.024 18.840 6 HE1 MET 1 HE1 MET 1 12.850 -1.776 14.657 7 HE2 MET 1 HE2 MET 1 12.462 -0.054 14.887 8 HE3 MET 1 HE3 MET 1 13.978 -0.720 15.543 9 H GLU 2 H GLU 2 10.285 3.262 19.306 10 HA GLU 2 HA GLU 2 8.422 2.701 21.546 11 HB2 GLU 2 HB1 GLU 2 10.562 4.856 21.298 12 HB3 GLU 2 HB2 GLU 2 9.613 4.479 22.756 13 HG2 GLU 2 HG1 GLU 2 11.892 3.620 22.949 14 HG3 GLU 2 HG2 GLU 2 10.721 2.283 22.908 15 H THR 3 H THR 3 9.128 5.242 19.122 16 HA THR 3 HA THR 3 7.530 7.234 20.436 17 HB THR 3 HB THR 3 8.292 8.731 18.965 18 HG1 THR 3 HG1 THR 3 8.679 8.295 16.754 19 HG21 THR 3 HG21 THR 3 10.572 8.257 18.140 20 HG22 THR 3 HG22 THR 3 10.322 7.633 19.782 21 HG23 THR 3 HG23 THR 3 10.288 6.524 18.391 22 HA PRO 4 HA PRO 4 3.589 6.474 18.624 23 HB2 PRO 4 HB1 PRO 4 2.463 8.907 18.105 24 HB3 PRO 4 HB2 PRO 4 2.768 8.303 19.764 25 HG2 PRO 4 HG1 PRO 4 4.475 10.189 18.136 26 HG3 PRO 4 HG2 PRO 4 3.961 10.366 19.844 27 HD2 PRO 4 HD1 PRO 4 6.416 9.365 19.127 28 HD3 PRO 4 HD2 PRO 4 5.533 8.761 20.562 29 H LEU 5 H LEU 5 5.511 8.854 16.633 30 HA LEU 5 HA LEU 5 4.316 8.258 14.138 31 HB2 LEU 5 HB1 LEU 5 5.841 10.104 14.415 32 HB3 LEU 5 HB2 LEU 5 7.161 9.004 14.878 33 HG LEU 5 HG LEU 5 7.211 8.076 12.618 34 HD11 LEU 5 HD11 LEU 5 5.929 9.074 10.754 35 HD12 LEU 5 HD12 LEU 5 4.855 8.351 11.970 36 HD13 LEU 5 HD13 LEU 5 5.071 10.117 11.909 37 HD21 LEU 5 HD21 LEU 5 8.120 10.061 11.456 38 HD22 LEU 5 HD22 LEU 5 7.314 11.118 12.639 39 HD23 LEU 5 HD23 LEU 5 8.615 10.025 13.164 40 H GLU 6 H GLU 6 7.060 6.661 15.790 41 HA GLU 6 HA GLU 6 7.691 4.691 13.911 42 HB2 GLU 6 HB1 GLU 6 9.175 4.998 15.619 43 HB3 GLU 6 HB2 GLU 6 7.903 5.068 16.861 44 HG2 GLU 6 HG1 GLU 6 9.395 3.140 17.085 45 HG3 GLU 6 HG2 GLU 6 7.686 2.701 16.875 46 H LYS 7 H LYS 7 4.907 4.669 16.218 47 HA LYS 7 HA LYS 7 4.199 1.985 15.845 48 HB2 LYS 7 HB1 LYS 7 2.258 4.299 16.026 49 HB3 LYS 7 HB2 LYS 7 1.912 2.584 16.358 50 HG2 LYS 7 HG1 LYS 7 3.846 4.325 17.914 51 HG3 LYS 7 HG2 LYS 7 2.193 3.896 18.418 52 HD2 LYS 7 HD1 LYS 7 2.796 1.506 18.453 53 HD3 LYS 7 HD2 LYS 7 4.434 1.894 17.873 54 HE2 LYS 7 HE1 LYS 7 3.373 3.339 20.284 55 HE3 LYS 7 HE2 LYS 7 3.927 1.661 20.475 56 HZ1 LYS 7 HZ1 LYS 7 5.694 3.227 20.845 57 HZ2 LYS 7 HZ2 LYS 7 6.022 2.310 19.513 58 HZ3 LYS 7 HZ3 LYS 7 5.508 3.866 19.336 59 H ALA 8 H ALA 8 3.751 4.650 13.487 60 HA ALA 8 HA ALA 8 2.228 3.124 11.627 61 HB1 ALA 8 HB1 ALA 8 2.927 4.842 9.990 62 HB2 ALA 8 HB2 ALA 8 2.424 5.577 11.530 63 HB3 ALA 8 HB3 ALA 8 4.154 5.427 11.136 64 H LEU 9 H LEU 9 5.787 3.550 11.957 65 HA LEU 9 HA LEU 9 6.468 2.084 9.596 66 HB2 LEU 9 HB1 LEU 9 7.970 2.885 12.088 67 HB3 LEU 9 HB2 LEU 9 8.724 1.911 10.804 68 HG LEU 9 HG LEU 9 9.402 4.180 10.579 69 HD11 LEU 9 HD11 LEU 9 8.724 4.682 8.255 70 HD12 LEU 9 HD12 LEU 9 9.044 2.951 8.489 71 HD13 LEU 9 HD13 LEU 9 7.368 3.546 8.415 72 HD21 LEU 9 HD21 LEU 9 7.884 6.077 10.145 73 HD22 LEU 9 HD22 LEU 9 6.491 5.001 10.372 74 HD23 LEU 9 HD23 LEU 9 7.585 5.343 11.733 75 H THR 10 H THR 10 6.572 1.116 13.083 76 HA THR 10 HA THR 10 6.875 -1.626 12.885 77 HB THR 10 HB THR 10 5.497 0.206 14.787 78 HG1 THR 10 HG1 THR 10 7.003 -0.900 16.149 79 HG21 THR 10 HG21 THR 10 4.842 -1.664 16.298 80 HG22 THR 10 HG22 THR 10 3.917 -1.711 14.784 81 HG23 THR 10 HG23 THR 10 5.283 -2.827 15.031 82 H THR 11 H THR 11 3.759 0.167 12.389 83 HA THR 11 HA THR 11 2.238 -2.256 12.012 84 HB THR 11 HB THR 11 1.646 0.622 11.266 85 HG1 THR 11 HG1 THR 11 0.455 0.438 13.231 86 HG21 THR 11 HG21 THR 11 -0.739 -0.064 11.289 87 HG22 THR 11 HG22 THR 11 0.164 -0.928 10.028 88 HG23 THR 11 HG23 THR 11 -0.245 -1.749 11.553 89 H MET 12 H MET 12 3.701 0.084 9.688 90 HA MET 12 HA MET 12 2.815 -1.242 7.349 91 HB2 MET 12 HB1 MET 12 5.120 0.608 7.930 92 HB3 MET 12 HB2 MET 12 4.897 -0.115 6.318 93 HG2 MET 12 HG1 MET 12 2.596 0.842 6.251 94 HG3 MET 12 HG2 MET 12 2.899 1.626 7.810 95 HE1 MET 12 HE1 MET 12 2.898 4.272 4.692 96 HE2 MET 12 HE2 MET 12 2.181 2.645 4.600 97 HE3 MET 12 HE3 MET 12 1.910 3.659 6.038 98 H VAL 13 H VAL 13 5.869 -1.830 9.287 99 HA VAL 13 HA VAL 13 6.589 -3.991 7.521 100 HB VAL 13 HB VAL 13 8.198 -4.735 9.173 101 HG11 VAL 13 HG11 VAL 13 9.667 -2.746 9.114 102 HG12 VAL 13 HG12 VAL 13 8.806 -2.974 7.576 103 HG13 VAL 13 HG13 VAL 13 8.262 -1.730 8.729 104 HG21 VAL 13 HG21 VAL 13 8.653 -3.489 11.249 105 HG22 VAL 13 HG22 VAL 13 7.215 -2.492 10.954 106 HG23 VAL 13 HG23 VAL 13 7.044 -4.236 11.265 107 H THR 14 H THR 14 4.495 -3.885 10.395 108 HA THR 14 HA THR 14 4.284 -6.725 10.789 109 HB THR 14 HB THR 14 2.444 -4.442 11.578 110 HG1 THR 14 HG1 THR 14 3.557 -4.792 13.569 111 HG21 THR 14 HG21 THR 14 1.576 -5.956 13.346 112 HG22 THR 14 HG22 THR 14 1.224 -6.594 11.727 113 HG23 THR 14 HG23 THR 14 2.560 -7.278 12.684 114 H THR 15 H THR 15 2.604 -4.491 8.635 115 HA THR 15 HA THR 15 0.758 -6.538 7.655 116 HB THR 15 HB THR 15 0.355 -4.708 5.862 117 HG1 THR 15 HG1 THR 15 0.896 -2.622 6.677 118 HG21 THR 15 HG21 THR 15 -1.120 -3.470 7.434 119 HG22 THR 15 HG22 THR 15 -1.187 -5.220 7.740 120 HG23 THR 15 HG23 THR 15 -0.228 -4.165 8.807 121 H PHE 16 H PHE 16 3.579 -4.734 6.264 122 HA PHE 16 HA PHE 16 3.561 -6.108 3.804 123 HB2 PHE 16 HB1 PHE 16 4.659 -3.957 4.271 124 HB3 PHE 16 HB2 PHE 16 5.853 -4.783 5.286 125 HD1 PHE 16 HD1 PHE 16 7.489 -6.377 4.233 126 HD2 PHE 16 HD2 PHE 16 4.897 -3.876 1.876 127 HE1 PHE 16 HE1 PHE 16 8.913 -6.753 2.241 128 HE2 PHE 16 HE2 PHE 16 6.471 -4.051 -0.041 129 HZ PHE 16 HZ PHE 16 8.498 -5.489 0.145 130 H HIS 17 H HIS 17 5.231 -7.047 6.856 131 HA HIS 17 HA HIS 17 6.919 -9.009 5.738 132 HB2 HIS 17 HB1 HIS 17 7.143 -8.145 8.023 133 HB3 HIS 17 HB2 HIS 17 5.640 -8.962 8.488 134 HD1 HIS 17 HD1 HIS 17 6.220 -11.141 9.787 135 HD2 HIS 17 HD2 HIS 17 8.927 -10.209 6.716 136 HE1 HIS 17 HE1 HIS 17 7.939 -13.028 9.738 137 HE2 HIS 17 HE2 HIS 17 9.613 -12.476 7.874 138 H LYS 18 H LYS 18 3.467 -9.288 6.677 139 HA LYS 18 HA LYS 18 3.185 -12.071 6.688 140 HB2 LYS 18 HB1 LYS 18 1.229 -9.953 5.726 141 HB3 LYS 18 HB2 LYS 18 0.804 -11.630 6.141 142 HG2 LYS 18 HG1 LYS 18 1.670 -11.084 8.500 143 HG3 LYS 18 HG2 LYS 18 1.619 -9.379 7.989 144 HD2 LYS 18 HD1 LYS 18 -0.780 -9.837 7.202 145 HD3 LYS 18 HD2 LYS 18 -0.672 -11.379 8.085 146 HE2 LYS 18 HE1 LYS 18 -1.798 -9.890 9.538 147 HE3 LYS 18 HE2 LYS 18 -0.139 -9.994 10.160 148 HZ1 LYS 18 HZ1 LYS 18 -0.919 -7.741 10.082 149 HZ2 LYS 18 HZ2 LYS 18 0.344 -7.940 9.039 150 HZ3 LYS 18 HZ3 LYS 18 -1.198 -7.844 8.460 151 H TYR 19 H TYR 19 3.653 -9.998 3.918 152 HA TYR 19 HA TYR 19 2.761 -12.126 2.029 153 HB2 TYR 19 HB1 TYR 19 2.729 -9.092 1.779 154 HB3 TYR 19 HB2 TYR 19 2.258 -10.219 0.495 155 HD1 TYR 19 HD1 TYR 19 0.236 -11.645 0.753 156 HD2 TYR 19 HD2 TYR 19 1.244 -8.606 3.636 157 HE1 TYR 19 HE1 TYR 19 -2.075 -11.749 1.659 158 HE2 TYR 19 HE2 TYR 19 -1.070 -8.693 4.537 159 HH TYR 19 HH TYR 19 -3.128 -9.668 4.394 160 H SER 20 H SER 20 5.558 -11.105 3.264 161 HA SER 20 HA SER 20 7.050 -11.191 0.681 162 HB2 SER 20 HB1 SER 20 8.697 -9.643 1.843 163 HB3 SER 20 HB2 SER 20 7.129 -8.920 1.408 164 HG SER 20 HG SER 20 7.796 -8.377 3.537 165 H GLY 21 H GLY 21 7.366 -11.552 4.230 166 HA2 GLY 21 HA2 GLY 21 9.080 -13.453 3.579 167 H ARG 22 H ARG 22 7.416 -14.262 2.675 168 HA ARG 22 HA ARG 22 7.680 -17.034 3.347 169 HB2 ARG 22 HB1 ARG 22 5.263 -17.503 3.507 170 HB3 ARG 22 HB2 ARG 22 5.918 -16.556 4.865 171 HG2 ARG 22 HG1 ARG 22 3.923 -15.479 4.522 172 HG3 ARG 22 HG2 ARG 22 4.994 -14.509 3.483 173 HD2 ARG 22 HD1 ARG 22 2.998 -14.904 2.242 174 HD3 ARG 22 HD2 ARG 22 4.250 -15.954 1.544 175 HE ARG 22 HE ARG 22 2.426 -17.059 3.601 176 HH11 ARG 22 HH12 ARG 22 3.345 -17.029 0.174 177 HH12 ARG 22 HH11 ARG 22 2.509 -18.521 -0.158 178 HH21 ARG 22 HH22 ARG 22 1.421 -18.987 3.101 179 HH22 ARG 22 HH21 ARG 22 1.443 -19.607 1.467 180 H GLU 23 H GLU 23 7.576 -14.673 1.035 181 HA GLU 23 HA GLU 23 6.734 -16.578 -1.106 182 HB2 GLU 23 HB1 GLU 23 6.991 -13.580 -1.449 183 HB3 GLU 23 HB2 GLU 23 6.166 -14.750 -2.506 184 HG2 GLU 23 HG1 GLU 23 5.203 -13.821 0.203 185 HG3 GLU 23 HG2 GLU 23 4.624 -13.237 -1.373 186 H GLY 24 H GLY 24 8.996 -13.886 -0.318 187 HA2 GLY 24 HA2 GLY 24 10.857 -15.185 -1.398 188 H SER 25 H SER 25 10.608 -12.314 0.170 189 HA SER 25 HA SER 25 12.626 -13.406 1.916 190 HB2 SER 25 HB1 SER 25 14.124 -12.505 0.174 191 HB3 SER 25 HB2 SER 25 13.347 -10.911 0.327 192 HG SER 25 HG SER 25 15.283 -11.079 1.552 193 H LYS 26 H LYS 26 12.937 -11.868 3.885 194 HA LYS 26 HA LYS 26 10.281 -11.234 4.660 195 HB2 LYS 26 HB1 LYS 26 12.915 -10.782 6.085 196 HB3 LYS 26 HB2 LYS 26 11.311 -10.603 6.834 197 HG2 LYS 26 HG1 LYS 26 10.826 -12.984 6.050 198 HG3 LYS 26 HG2 LYS 26 12.557 -13.109 5.653 199 HD2 LYS 26 HD1 LYS 26 11.371 -12.689 8.410 200 HD3 LYS 26 HD2 LYS 26 12.073 -14.194 7.774 201 HE2 LYS 26 HE1 LYS 26 14.189 -12.707 7.353 202 HE3 LYS 26 HE2 LYS 26 13.439 -11.622 8.544 203 HZ1 LYS 26 HZ1 LYS 26 14.940 -13.165 9.568 204 HZ2 LYS 26 HZ2 LYS 26 13.398 -13.445 10.083 205 HZ3 LYS 26 HZ3 LYS 26 14.094 -14.452 8.977 206 H LEU 27 H LEU 27 12.361 -9.213 2.926 207 HA LEU 27 HA LEU 27 10.627 -6.881 3.515 208 HB2 LEU 27 HB1 LEU 27 13.622 -6.915 3.079 209 HB3 LEU 27 HB2 LEU 27 12.629 -5.439 3.072 210 HG LEU 27 HG LEU 27 12.768 -7.366 5.417 211 HD11 LEU 27 HD11 LEU 27 14.349 -5.745 6.408 212 HD12 LEU 27 HD12 LEU 27 14.988 -6.427 4.892 213 HD13 LEU 27 HD13 LEU 27 14.303 -4.784 4.909 214 HD21 LEU 27 HD21 LEU 27 11.880 -5.470 6.737 215 HD22 LEU 27 HD22 LEU 27 11.804 -4.483 5.261 216 HD23 LEU 27 HD23 LEU 27 10.770 -5.923 5.427 217 H THR 28 H THR 28 11.129 -9.083 1.155 218 HA THR 28 HA THR 28 10.157 -7.133 -0.840 219 HB THR 28 HB THR 28 11.347 -8.253 -2.680 220 HG1 THR 28 HG1 THR 28 13.139 -9.564 -2.121 221 HG21 THR 28 HG21 THR 28 13.581 -7.268 -2.295 222 HG22 THR 28 HG22 THR 28 12.284 -6.181 -1.753 223 HG23 THR 28 HG23 THR 28 13.210 -7.130 -0.564 224 H LEU 29 H LEU 29 8.795 -7.870 -2.462 225 HA LEU 29 HA LEU 29 7.951 -10.653 -2.612 226 HB2 LEU 29 HB1 LEU 29 5.657 -10.378 -2.159 227 HB3 LEU 29 HB2 LEU 29 6.541 -9.674 -0.784 228 HG LEU 29 HG LEU 29 5.260 -8.058 -3.010 229 HD11 LEU 29 HD11 LEU 29 3.499 -7.519 -1.334 230 HD12 LEU 29 HD12 LEU 29 3.555 -9.265 -1.662 231 HD13 LEU 29 HD13 LEU 29 4.278 -8.615 -0.171 232 HD21 LEU 29 HD21 LEU 29 5.517 -6.155 -1.438 233 HD22 LEU 29 HD22 LEU 29 6.306 -7.235 -0.269 234 HD23 LEU 29 HD23 LEU 29 7.090 -6.883 -1.827 235 H SER 30 H SER 30 6.485 -11.068 -4.406 236 HA SER 30 HA SER 30 7.010 -9.425 -6.723 237 HB2 SER 30 HB1 SER 30 5.265 -11.242 -7.675 238 HB3 SER 30 HB2 SER 30 6.994 -11.587 -7.432 239 HG SER 30 HG SER 30 5.631 -13.189 -6.518 240 H ARG 31 H ARG 31 5.430 -8.787 -8.238 241 HA ARG 31 HA ARG 31 3.780 -6.763 -7.251 242 HB2 ARG 31 HB1 ARG 31 4.894 -6.727 -9.388 243 HB3 ARG 31 HB2 ARG 31 3.995 -8.163 -9.935 244 HG2 ARG 31 HG1 ARG 31 3.046 -6.248 -11.002 245 HG3 ARG 31 HG2 ARG 31 1.890 -6.822 -9.775 246 HD2 ARG 31 HD1 ARG 31 3.204 -5.021 -8.284 247 HD3 ARG 31 HD2 ARG 31 3.481 -4.297 -9.883 248 HE ARG 31 HE ARG 31 1.091 -4.150 -10.194 249 HH11 ARG 31 HH12 ARG 31 1.801 -5.320 -6.980 250 HH12 ARG 31 HH11 ARG 31 0.372 -4.600 -6.282 251 HH21 ARG 31 HH22 ARG 31 -0.651 -3.048 -9.209 252 HH22 ARG 31 HH21 ARG 31 -0.995 -3.335 -7.522 253 H LYS 32 H LYS 32 2.687 -9.925 -8.658 254 HA LYS 32 HA LYS 32 -0.062 -9.555 -8.397 255 HB2 LYS 32 HB1 LYS 32 1.445 -12.141 -7.967 256 HB3 LYS 32 HB2 LYS 32 -0.227 -11.943 -8.543 257 HG2 LYS 32 HG1 LYS 32 2.139 -10.967 -10.124 258 HG3 LYS 32 HG2 LYS 32 1.573 -12.651 -10.206 259 HD2 LYS 32 HD1 LYS 32 0.747 -11.451 -12.105 260 HD3 LYS 32 HD2 LYS 32 -0.616 -11.836 -11.027 261 HE2 LYS 32 HE1 LYS 32 -0.784 -9.577 -10.279 262 HE3 LYS 32 HE2 LYS 32 0.775 -9.143 -11.015 263 HZ1 LYS 32 HZ1 LYS 32 -1.070 -8.376 -12.326 264 HZ2 LYS 32 HZ2 LYS 32 -0.211 -9.506 -13.164 265 HZ3 LYS 32 HZ3 LYS 32 -1.657 -9.909 -12.482 266 H GLU 33 H GLU 33 2.211 -10.308 -5.788 267 HA GLU 33 HA GLU 33 0.128 -11.127 -3.899 268 HB2 GLU 33 HB1 GLU 33 3.135 -10.783 -3.701 269 HB3 GLU 33 HB2 GLU 33 2.110 -11.244 -2.321 270 HG2 GLU 33 HG1 GLU 33 3.262 -13.168 -3.456 271 HG3 GLU 33 HG2 GLU 33 1.493 -13.315 -3.373 272 H LEU 34 H LEU 34 2.449 -8.347 -4.219 273 HA LEU 34 HA LEU 34 1.435 -6.659 -2.230 274 HB2 LEU 34 HB1 LEU 34 3.393 -6.180 -3.612 275 HB3 LEU 34 HB2 LEU 34 2.368 -6.042 -5.061 276 HG LEU 34 HG LEU 34 1.220 -4.082 -3.965 277 HD11 LEU 34 HD11 LEU 34 2.340 -2.978 -2.064 278 HD12 LEU 34 HD12 LEU 34 1.770 -4.607 -1.627 279 HD13 LEU 34 HD13 LEU 34 3.498 -4.327 -1.960 280 HD21 LEU 34 HD21 LEU 34 3.055 -2.516 -4.470 281 HD22 LEU 34 HD22 LEU 34 4.220 -3.860 -4.413 282 HD23 LEU 34 HD23 LEU 34 2.966 -3.824 -5.675 283 H LYS 35 H LYS 35 0.125 -7.221 -5.518 284 HA LYS 35 HA LYS 35 -2.044 -5.412 -5.437 285 HB2 LYS 35 HB1 LYS 35 -1.343 -6.223 -7.480 286 HB3 LYS 35 HB2 LYS 35 -1.271 -7.908 -6.907 287 HG2 LYS 35 HG1 LYS 35 -3.990 -6.866 -6.986 288 HG3 LYS 35 HG2 LYS 35 -3.172 -6.787 -8.564 289 HD2 LYS 35 HD1 LYS 35 -4.315 -8.878 -8.507 290 HD3 LYS 35 HD2 LYS 35 -2.594 -9.253 -8.249 291 HE2 LYS 35 HE1 LYS 35 -3.066 -9.197 -5.764 292 HE3 LYS 35 HE2 LYS 35 -4.795 -9.098 -6.168 293 HZ1 LYS 35 HZ1 LYS 35 -4.123 -11.334 -5.678 294 HZ2 LYS 35 HZ2 LYS 35 -4.597 -11.211 -7.250 295 HZ3 LYS 35 HZ3 LYS 35 -2.994 -11.303 -6.875 296 H GLU 36 H GLU 36 -1.704 -8.580 -3.900 297 HA GLU 36 HA GLU 36 -4.534 -8.755 -3.251 298 HB2 GLU 36 HB1 GLU 36 -2.879 -10.705 -3.673 299 HB3 GLU 36 HB2 GLU 36 -2.311 -10.400 -2.015 300 HG2 GLU 36 HG1 GLU 36 -4.000 -11.975 -1.680 301 HG3 GLU 36 HG2 GLU 36 -4.836 -10.434 -1.389 302 H LEU 37 H LEU 37 -1.502 -8.183 -1.329 303 HA LEU 37 HA LEU 37 -2.505 -7.864 1.215 304 HB2 LEU 37 HB1 LEU 37 -0.198 -7.853 0.929 305 HB3 LEU 37 HB2 LEU 37 -0.259 -6.609 -0.343 306 HG LEU 37 HG LEU 37 -0.655 -4.889 1.303 307 HD11 LEU 37 HD11 LEU 37 -0.448 -5.217 3.741 308 HD12 LEU 37 HD12 LEU 37 -1.856 -6.067 3.076 309 HD13 LEU 37 HD13 LEU 37 -0.378 -6.969 3.487 310 HD21 LEU 37 HD21 LEU 37 1.587 -4.923 2.357 311 HD22 LEU 37 HD22 LEU 37 1.708 -6.666 2.029 312 HD23 LEU 37 HD23 LEU 37 1.645 -5.507 0.679 313 H ILE 38 H ILE 38 -2.317 -5.232 -1.232 314 HA ILE 38 HA ILE 38 -3.493 -3.272 0.528 315 HB ILE 38 HB ILE 38 -3.144 -3.082 -2.471 316 HG12 ILE 38 HG13 ILE 38 -1.078 -1.986 -0.558 317 HG13 ILE 38 HG12 ILE 38 -0.996 -3.695 -1.050 318 HG21 ILE 38 HG21 ILE 38 -2.930 -0.632 -2.040 319 HG22 ILE 38 HG22 ILE 38 -4.481 -1.257 -1.445 320 HG23 ILE 38 HG23 ILE 38 -3.156 -0.927 -0.304 321 HD11 ILE 38 HD11 ILE 38 0.375 -2.270 -2.543 322 HD12 ILE 38 HD12 ILE 38 -0.981 -3.009 -3.429 323 HD13 ILE 38 HD13 ILE 38 -1.064 -1.300 -2.938 324 H LYS 39 H LYS 39 -5.010 -5.801 -1.179 325 HA LYS 39 HA LYS 39 -7.633 -4.464 -0.843 326 HB2 LYS 39 HB1 LYS 39 -6.538 -6.658 -2.563 327 HB3 LYS 39 HB2 LYS 39 -8.241 -6.782 -2.058 328 HG2 LYS 39 HG1 LYS 39 -8.504 -5.578 -3.990 329 HG3 LYS 39 HG2 LYS 39 -8.296 -4.244 -2.830 330 HD2 LYS 39 HD1 LYS 39 -5.711 -4.633 -3.552 331 HD3 LYS 39 HD2 LYS 39 -6.527 -5.150 -5.048 332 HE2 LYS 39 HE1 LYS 39 -6.340 -2.876 -5.452 333 HE3 LYS 39 HE2 LYS 39 -7.929 -2.925 -4.659 334 HZ1 LYS 39 HZ1 LYS 39 -6.530 -1.219 -3.740 335 HZ2 LYS 39 HZ2 LYS 39 -6.848 -2.365 -2.598 336 HZ3 LYS 39 HZ3 LYS 39 -5.372 -2.320 -3.334 337 H LYS 40 H LYS 40 -5.609 -6.939 0.625 338 HA LYS 40 HA LYS 40 -7.794 -8.222 2.086 339 HB2 LYS 40 HB1 LYS 40 -4.768 -8.371 2.401 340 HB3 LYS 40 HB2 LYS 40 -5.940 -9.379 3.282 341 HG2 LYS 40 HG1 LYS 40 -5.703 -9.329 0.274 342 HG3 LYS 40 HG2 LYS 40 -4.804 -10.457 1.316 343 HD2 LYS 40 HD1 LYS 40 -6.858 -11.520 2.045 344 HD3 LYS 40 HD2 LYS 40 -7.844 -10.288 1.222 345 HE2 LYS 40 HE1 LYS 40 -6.607 -10.839 -0.903 346 HE3 LYS 40 HE2 LYS 40 -5.836 -12.187 -0.040 347 HZ1 LYS 40 HZ1 LYS 40 -7.618 -12.925 -1.430 348 HZ2 LYS 40 HZ2 LYS 40 -7.965 -13.199 0.152 349 HZ3 LYS 40 HZ3 LYS 40 -8.681 -11.947 -0.649 350 H GLU 41 H GLU 41 -4.849 -6.522 3.179 351 HA GLU 41 HA GLU 41 -6.080 -5.978 5.751 352 HB2 GLU 41 HB1 GLU 41 -3.298 -5.312 4.762 353 HB3 GLU 41 HB2 GLU 41 -3.887 -5.120 6.431 354 HG2 GLU 41 HG1 GLU 41 -4.577 -7.699 6.040 355 HG3 GLU 41 HG2 GLU 41 -3.211 -7.610 4.909 356 H LEU 42 H LEU 42 -5.807 -4.111 2.774 357 HA LEU 42 HA LEU 42 -7.664 -2.415 4.348 358 HB2 LEU 42 HB1 LEU 42 -5.384 -1.456 3.036 359 HB3 LEU 42 HB2 LEU 42 -6.746 -1.025 1.973 360 HG LEU 42 HG LEU 42 -6.618 -0.422 4.953 361 HD11 LEU 42 HD11 LEU 42 -6.155 1.914 4.269 362 HD12 LEU 42 HD12 LEU 42 -4.880 0.810 3.702 363 HD13 LEU 42 HD13 LEU 42 -6.114 1.405 2.564 364 HD21 LEU 42 HD21 LEU 42 -8.520 1.105 4.504 365 HD22 LEU 42 HD22 LEU 42 -8.520 0.596 2.802 366 HD23 LEU 42 HD23 LEU 42 -8.923 -0.574 4.082 367 H CYS 43 H CYS 43 -9.630 -3.351 3.903 368 HA CYS 43 HA CYS 43 -10.500 -3.892 1.211 369 HB2 CYS 43 HB1 CYS 43 -11.664 -4.880 3.112 370 HB3 CYS 43 HB2 CYS 43 -12.111 -3.262 3.713 371 HG CYS 43 HG CYS 43 -14.193 -4.409 2.610 372 H LEU 44 H LEU 44 -10.007 -2.297 -0.180 373 HA LEU 44 HA LEU 44 -10.924 0.459 0.289 374 HB2 LEU 44 HB1 LEU 44 -9.186 -0.910 -1.773 375 HB3 LEU 44 HB2 LEU 44 -9.783 0.751 -2.017 376 HG LEU 44 HG LEU 44 -8.279 -0.112 0.480 377 HD11 LEU 44 HD11 LEU 44 -6.258 0.885 -0.552 378 HD12 LEU 44 HD12 LEU 44 -6.853 -0.494 -1.505 379 HD13 LEU 44 HD13 LEU 44 -7.169 1.170 -2.053 380 HD21 LEU 44 HD21 LEU 44 -7.846 2.316 0.720 381 HD22 LEU 44 HD22 LEU 44 -8.766 2.625 -0.769 382 HD23 LEU 44 HD23 LEU 44 -9.590 1.976 0.669 383 H GLY 45 H GLY 45 -12.248 -2.378 -1.096 384 HA2 GLY 45 HA2 GLY 45 -13.633 -0.690 -2.597 385 H GLU 46 H GLU 46 -14.233 -0.912 0.058 386 HA GLU 46 HA GLU 46 -17.061 -0.124 -0.323 387 HB2 GLU 46 HB1 GLU 46 -17.155 -0.104 2.132 388 HB3 GLU 46 HB2 GLU 46 -16.580 -1.669 1.507 389 HG2 GLU 46 HG1 GLU 46 -14.249 -0.996 2.006 390 HG3 GLU 46 HG2 GLU 46 -14.844 0.546 2.660 391 H MET 47 H MET 47 -14.327 1.446 -0.999 392 HA MET 47 HA MET 47 -15.336 4.050 -0.022 393 HB2 MET 47 HB1 MET 47 -12.539 2.969 0.455 394 HB3 MET 47 HB2 MET 47 -12.944 4.698 0.564 395 HG2 MET 47 HG1 MET 47 -14.645 4.183 2.270 396 HG3 MET 47 HG2 MET 47 -14.224 2.465 2.171 397 HE1 MET 47 HE1 MET 47 -10.344 2.955 3.399 398 HE2 MET 47 HE2 MET 47 -11.411 1.871 2.475 399 HE3 MET 47 HE3 MET 47 -10.919 3.435 1.785 400 H LYS 48 H LYS 48 -13.310 2.264 -2.287 401 HA LYS 48 HA LYS 48 -13.169 4.534 -4.165 402 HB2 LYS 48 HB1 LYS 48 -10.851 3.064 -2.877 403 HB3 LYS 48 HB2 LYS 48 -10.680 4.000 -4.382 404 HG2 LYS 48 HG1 LYS 48 -11.572 5.089 -1.697 405 HG3 LYS 48 HG2 LYS 48 -9.951 5.265 -2.410 406 HD2 LYS 48 HD1 LYS 48 -12.530 6.408 -3.525 407 HD3 LYS 48 HD2 LYS 48 -11.284 7.311 -2.632 408 HE2 LYS 48 HE1 LYS 48 -10.702 5.911 -5.246 409 HE3 LYS 48 HE2 LYS 48 -11.354 7.561 -5.178 410 HZ1 LYS 48 HZ1 LYS 48 -8.979 7.554 -5.408 411 HZ2 LYS 48 HZ2 LYS 48 -9.411 8.212 -3.963 412 HZ3 LYS 48 HZ3 LYS 48 -8.804 6.680 -4.025 413 H GLU 49 H GLU 49 -11.598 3.514 -6.123 414 HA GLU 49 HA GLU 49 -13.025 1.298 -7.301 415 HB2 GLU 49 HB1 GLU 49 -14.405 2.951 -8.760 416 HB3 GLU 49 HB2 GLU 49 -14.993 2.483 -7.147 417 HG2 GLU 49 HG1 GLU 49 -15.234 4.928 -7.826 418 HG3 GLU 49 HG2 GLU 49 -14.526 4.585 -6.231 419 H SER 50 H SER 50 -13.135 2.989 -9.895 420 HA SER 50 HA SER 50 -10.811 2.674 -11.240 421 HB2 SER 50 HB1 SER 50 -11.534 5.156 -12.118 422 HB3 SER 50 HB2 SER 50 -12.379 3.657 -12.570 423 HG SER 50 HG SER 50 -13.823 5.311 -11.859 424 H SER 51 H SER 51 -11.368 5.367 -8.960 425 HA SER 51 HA SER 51 -8.826 6.642 -9.541 426 HB2 SER 51 HB1 SER 51 -10.646 7.351 -7.243 427 HB3 SER 51 HB2 SER 51 -9.574 8.402 -8.198 428 HG SER 51 HG SER 51 -11.796 8.692 -8.714 429 H ILE 52 H ILE 52 -9.366 3.858 -7.790 430 HA ILE 52 HA ILE 52 -6.573 4.347 -6.951 431 HB ILE 52 HB ILE 52 -6.670 2.605 -5.278 432 HG12 ILE 52 HG13 ILE 52 -8.984 2.070 -4.267 433 HG13 ILE 52 HG12 ILE 52 -9.592 2.365 -5.914 434 HG21 ILE 52 HG21 ILE 52 -7.881 3.931 -3.576 435 HG22 ILE 52 HG22 ILE 52 -6.977 4.971 -4.696 436 HG23 ILE 52 HG23 ILE 52 -8.738 4.794 -4.871 437 HD11 ILE 52 HD11 ILE 52 -9.227 -0.053 -5.516 438 HD12 ILE 52 HD12 ILE 52 -8.139 0.570 -6.770 439 HD13 ILE 52 HD13 ILE 52 -7.530 0.279 -5.124 440 H ASP 53 H ASP 53 -8.732 2.366 -8.873 441 HA ASP 53 HA ASP 53 -6.858 0.203 -9.220 442 HB2 ASP 53 HB1 ASP 53 -9.353 0.066 -9.480 443 HB3 ASP 53 HB2 ASP 53 -9.172 0.937 -11.017 444 H ASP 54 H ASP 54 -7.256 3.347 -10.865 445 HA ASP 54 HA ASP 54 -5.375 3.140 -12.900 446 HB2 ASP 54 HB1 ASP 54 -6.411 5.270 -12.429 447 HB3 ASP 54 HB2 ASP 54 -5.726 5.309 -10.792 448 H LEU 55 H LEU 55 -4.589 3.827 -9.426 449 HA LEU 55 HA LEU 55 -1.790 3.634 -9.692 450 HB2 LEU 55 HB1 LEU 55 -3.512 3.025 -7.269 451 HB3 LEU 55 HB2 LEU 55 -1.762 3.351 -7.255 452 HG LEU 55 HG LEU 55 -3.887 5.333 -8.140 453 HD11 LEU 55 HD11 LEU 55 -3.443 6.450 -5.968 454 HD12 LEU 55 HD12 LEU 55 -4.059 4.798 -5.727 455 HD13 LEU 55 HD13 LEU 55 -2.324 5.139 -5.525 456 HD21 LEU 55 HD21 LEU 55 -2.063 7.002 -7.981 457 HD22 LEU 55 HD22 LEU 55 -0.921 5.709 -7.556 458 HD23 LEU 55 HD23 LEU 55 -1.676 5.735 -9.167 459 H MET 56 H MET 56 -4.208 1.079 -8.888 460 HA MET 56 HA MET 56 -2.414 -1.016 -8.368 461 HB2 MET 56 HB1 MET 56 -5.188 -1.050 -9.577 462 HB3 MET 56 HB2 MET 56 -4.286 -2.526 -9.160 463 HG2 MET 56 HG1 MET 56 -4.985 -0.311 -7.211 464 HG3 MET 56 HG2 MET 56 -5.935 -1.790 -7.433 465 HE1 MET 56 HE1 MET 56 -3.423 -4.561 -6.128 466 HE2 MET 56 HE2 MET 56 -5.030 -4.247 -6.821 467 HE3 MET 56 HE3 MET 56 -3.568 -3.967 -7.798 468 H LYS 57 H LYS 57 -3.885 -0.167 -11.572 469 HA LYS 57 HA LYS 57 -2.204 -1.965 -13.068 470 HB2 LYS 57 HB1 LYS 57 -4.105 0.276 -13.698 471 HB3 LYS 57 HB2 LYS 57 -2.979 -0.270 -14.965 472 HG2 LYS 57 HG1 LYS 57 -4.907 -1.522 -15.361 473 HG3 LYS 57 HG2 LYS 57 -3.860 -2.637 -14.450 474 HD2 LYS 57 HD1 LYS 57 -5.130 -2.034 -12.370 475 HD3 LYS 57 HD2 LYS 57 -6.238 -1.072 -13.376 476 HE2 LYS 57 HE1 LYS 57 -6.683 -3.125 -14.758 477 HE3 LYS 57 HE2 LYS 57 -5.675 -4.059 -13.632 478 HZ1 LYS 57 HZ1 LYS 57 -7.994 -4.228 -13.098 479 HZ2 LYS 57 HZ2 LYS 57 -7.186 -3.460 -11.882 480 HZ3 LYS 57 HZ3 LYS 57 -8.122 -2.592 -12.925 481 H SER 58 H SER 58 -1.635 1.233 -11.760 482 HA SER 58 HA SER 58 0.402 1.974 -13.635 483 HB2 SER 58 HB1 SER 58 -0.947 3.409 -11.859 484 HB3 SER 58 HB2 SER 58 0.489 3.065 -10.864 485 HG SER 58 HG SER 58 0.732 4.955 -12.154 486 H LEU 59 H LEU 59 0.468 0.177 -10.544 487 HA LEU 59 HA LEU 59 3.289 -0.517 -10.876 488 HB2 LEU 59 HB1 LEU 59 1.084 -1.539 -9.071 489 HB3 LEU 59 HB2 LEU 59 2.785 -2.054 -8.982 490 HG LEU 59 HG LEU 59 1.662 0.684 -8.320 491 HD11 LEU 59 HD11 LEU 59 2.433 0.001 -6.065 492 HD12 LEU 59 HD12 LEU 59 1.259 -1.169 -6.717 493 HD13 LEU 59 HD13 LEU 59 2.996 -1.557 -6.721 494 HD21 LEU 59 HD21 LEU 59 3.957 1.284 -7.643 495 HD22 LEU 59 HD22 LEU 59 4.553 -0.267 -8.281 496 HD23 LEU 59 HD23 LEU 59 3.867 0.948 -9.387 497 H ASP 60 H ASP 60 0.116 -2.196 -11.470 498 HA ASP 60 HA ASP 60 1.428 -4.698 -12.058 499 HB2 ASP 60 HB1 ASP 60 -1.002 -4.224 -11.206 500 HB3 ASP 60 HB2 ASP 60 -1.381 -4.189 -12.942 501 H LYS 61 H LYS 61 1.290 -1.940 -13.797 502 HA LYS 61 HA LYS 61 1.247 -2.037 -16.410 503 HB2 LYS 61 HB1 LYS 61 2.293 -0.434 -14.725 504 HB3 LYS 61 HB2 LYS 61 3.772 -1.418 -14.828 505 HG2 LYS 61 HG1 LYS 61 4.206 0.397 -16.203 506 HG3 LYS 61 HG2 LYS 61 3.728 -0.891 -17.334 507 HD2 LYS 61 HD1 LYS 61 2.806 1.339 -17.899 508 HD3 LYS 61 HD2 LYS 61 1.567 0.085 -17.650 509 HE2 LYS 61 HE1 LYS 61 1.009 2.358 -16.726 510 HE3 LYS 61 HE2 LYS 61 0.907 1.017 -15.565 511 HZ1 LYS 61 HZ1 LYS 61 1.954 2.943 -14.606 512 HZ2 LYS 61 HZ2 LYS 61 3.027 1.696 -14.689 513 HZ3 LYS 61 HZ3 LYS 61 3.121 2.941 -15.767 514 H ASN 62 H ASN 62 3.976 -3.678 -14.705 515 HA ASN 62 HA ASN 62 4.637 -5.190 -17.172 516 HB2 ASN 62 HB1 ASN 62 6.049 -4.886 -14.495 517 HB3 ASN 62 HB2 ASN 62 6.635 -5.897 -15.833 518 HD21 ASN 62 HD21 ASN 62 7.844 -3.503 -14.481 519 HD22 ASN 62 HD22 ASN 62 8.163 -2.357 -15.772 520 H SER 63 H SER 63 4.076 -5.807 -13.690 521 HA SER 63 HA SER 63 2.270 -6.877 -12.844 522 HB2 SER 63 HB1 SER 63 0.977 -8.583 -13.788 523 HB3 SER 63 HB2 SER 63 1.241 -7.336 -15.028 524 HG SER 63 HG SER 63 1.400 -9.464 -15.857 525 H ASP 64 H ASP 64 5.303 -8.057 -13.501 526 HA ASP 64 HA ASP 64 5.151 -10.379 -11.710 527 HB2 ASP 64 HB1 ASP 64 4.363 -11.242 -13.900 528 HB3 ASP 64 HB2 ASP 64 5.870 -10.669 -14.647 529 H GLN 65 H GLN 65 6.244 -8.510 -10.822 530 HA GLN 65 HA GLN 65 9.154 -8.861 -11.069 531 HB2 GLN 65 HB1 GLN 65 9.386 -6.333 -10.811 532 HB3 GLN 65 HB2 GLN 65 8.910 -6.920 -12.422 533 HG2 GLN 65 HG1 GLN 65 6.708 -6.123 -12.193 534 HG3 GLN 65 HG2 GLN 65 6.839 -5.989 -10.426 535 HE21 GLN 65 HE12 GLN 65 8.505 -4.311 -9.628 536 HE22 GLN 65 HE22 GLN 65 8.620 -2.829 -10.548 537 H GLU 66 H GLU 66 10.265 -8.168 -9.114 538 HA GLU 66 HA GLU 66 8.650 -8.047 -6.740 539 HB2 GLU 66 HB1 GLU 66 11.588 -7.372 -6.944 540 HB3 GLU 66 HB2 GLU 66 10.667 -7.826 -5.491 541 HG2 GLU 66 HG1 GLU 66 11.609 -9.851 -5.859 542 HG3 GLU 66 HG2 GLU 66 10.270 -10.038 -7.012 543 H ILE 67 H ILE 67 8.479 -6.403 -5.236 544 HA ILE 67 HA ILE 67 9.810 -3.813 -5.840 545 HB ILE 67 HB ILE 67 8.156 -2.750 -4.324 546 HG12 ILE 67 HG13 ILE 67 6.164 -4.928 -4.654 547 HG13 ILE 67 HG12 ILE 67 7.460 -5.211 -3.466 548 HG21 ILE 67 HG21 ILE 67 6.304 -2.588 -5.945 549 HG22 ILE 67 HG22 ILE 67 7.889 -2.549 -6.746 550 HG23 ILE 67 HG23 ILE 67 6.913 -4.037 -6.773 551 HD11 ILE 67 HD11 ILE 67 5.485 -4.164 -2.398 552 HD12 ILE 67 HD12 ILE 67 6.895 -3.085 -2.342 553 HD13 ILE 67 HD13 ILE 67 5.601 -2.799 -3.531 554 H ASP 68 H ASP 68 10.794 -2.768 -3.975 555 HA ASP 68 HA ASP 68 10.810 -4.341 -1.470 556 HB2 ASP 68 HB1 ASP 68 12.629 -3.007 -0.722 557 HB3 ASP 68 HB2 ASP 68 12.977 -3.567 -2.372 558 H PHE 69 H PHE 69 10.845 -2.829 0.517 559 HA PHE 69 HA PHE 69 8.198 -2.198 1.090 560 HB2 PHE 69 HB1 PHE 69 10.040 -2.952 2.573 561 HB3 PHE 69 HB2 PHE 69 10.775 -1.345 2.452 562 HD1 PHE 69 HD1 PHE 69 7.238 -2.463 3.126 563 HD2 PHE 69 HD2 PHE 69 10.720 -0.373 4.547 564 HE1 PHE 69 HE1 PHE 69 6.008 -1.818 5.182 565 HE2 PHE 69 HE2 PHE 69 9.469 0.336 6.571 566 HZ PHE 69 HZ PHE 69 7.122 -0.402 6.901 567 H LYS 70 H LYS 70 10.474 -0.034 -0.428 568 HA LYS 70 HA LYS 70 9.454 2.523 0.394 569 HB2 LYS 70 HB1 LYS 70 11.623 1.807 -0.746 570 HB3 LYS 70 HB2 LYS 70 10.674 1.620 -2.240 571 HG2 LYS 70 HG1 LYS 70 10.090 4.143 -1.836 572 HG3 LYS 70 HG2 LYS 70 11.560 4.111 -0.834 573 HD2 LYS 70 HD1 LYS 70 11.287 3.393 -3.771 574 HD3 LYS 70 HD2 LYS 70 12.186 4.759 -3.067 575 HE2 LYS 70 HE1 LYS 70 13.890 3.317 -3.674 576 HE3 LYS 70 HE2 LYS 70 13.652 2.900 -1.964 577 HZ1 LYS 70 HZ1 LYS 70 13.832 0.950 -3.336 578 HZ2 LYS 70 HZ2 LYS 70 12.328 1.035 -2.668 579 HZ3 LYS 70 HZ3 LYS 70 12.549 1.421 -4.255 580 H GLU 71 H GLU 71 8.743 0.337 -2.296 581 HA GLU 71 HA GLU 71 7.054 2.159 -3.756 582 HB2 GLU 71 HB1 GLU 71 7.060 -0.811 -4.181 583 HB3 GLU 71 HB2 GLU 71 6.951 0.509 -5.370 584 HG2 GLU 71 HG1 GLU 71 9.426 -0.435 -3.892 585 HG3 GLU 71 HG2 GLU 71 9.058 -0.644 -5.618 586 H TYR 72 H TYR 72 6.565 -0.391 -1.356 587 HA TYR 72 HA TYR 72 3.697 -0.448 -1.483 588 HB2 TYR 72 HB1 TYR 72 4.848 -2.234 -0.435 589 HB3 TYR 72 HB2 TYR 72 5.774 -1.136 0.603 590 HD1 TYR 72 HD1 TYR 72 2.175 -2.037 -0.079 591 HD2 TYR 72 HD2 TYR 72 5.143 -0.929 2.837 592 HE1 TYR 72 HE1 TYR 72 0.563 -2.534 1.741 593 HE2 TYR 72 HE2 TYR 72 3.557 -1.491 4.668 594 HH TYR 72 HH TYR 72 1.478 -2.343 5.191 595 H SER 73 H SER 73 5.958 1.394 0.618 596 HA SER 73 HA SER 73 3.882 2.676 2.122 597 HB2 SER 73 HB1 SER 73 5.884 4.172 2.835 598 HB3 SER 73 HB2 SER 73 5.908 2.444 3.265 599 HG SER 73 HG SER 73 7.890 3.163 2.361 600 H VAL 74 H VAL 74 5.790 3.806 -0.790 601 HA VAL 74 HA VAL 74 4.417 6.318 -0.791 602 HB VAL 74 HB VAL 74 4.943 6.596 -3.111 603 HG11 VAL 74 HG11 VAL 74 7.389 6.622 -2.908 604 HG12 VAL 74 HG12 VAL 74 6.589 7.154 -1.413 605 HG13 VAL 74 HG13 VAL 74 7.280 5.517 -1.521 606 HG21 VAL 74 HG21 VAL 74 6.245 5.000 -4.441 607 HG22 VAL 74 HG22 VAL 74 6.098 3.809 -3.134 608 HG23 VAL 74 HG23 VAL 74 4.648 4.363 -4.003 609 H PHE 75 H PHE 75 3.495 3.112 -2.211 610 HA PHE 75 HA PHE 75 1.295 4.104 -3.700 611 HB2 PHE 75 HB1 PHE 75 2.371 1.802 -3.767 612 HB3 PHE 75 HB2 PHE 75 1.440 1.419 -2.310 613 HD1 PHE 75 HD1 PHE 75 -1.118 1.365 -2.443 614 HD2 PHE 75 HD2 PHE 75 1.366 1.944 -5.908 615 HE1 PHE 75 HE1 PHE 75 -2.977 0.608 -3.913 616 HE2 PHE 75 HE2 PHE 75 -0.416 1.005 -7.341 617 HZ PHE 75 HZ PHE 75 -2.612 0.385 -6.365 618 H LEU 76 H LEU 76 1.445 2.941 -0.295 619 HA LEU 76 HA LEU 76 -1.307 3.315 0.326 620 HB2 LEU 76 HB1 LEU 76 1.257 2.830 1.734 621 HB3 LEU 76 HB2 LEU 76 -0.009 3.615 2.710 622 HG LEU 76 HG LEU 76 0.039 1.181 2.988 623 HD11 LEU 76 HD11 LEU 76 -2.382 0.773 2.684 624 HD12 LEU 76 HD12 LEU 76 -2.068 2.406 3.307 625 HD13 LEU 76 HD13 LEU 76 -2.473 2.170 1.590 626 HD21 LEU 76 HD21 LEU 76 -0.737 -0.359 1.217 627 HD22 LEU 76 HD22 LEU 76 -0.789 0.997 0.073 628 HD23 LEU 76 HD23 LEU 76 0.766 0.465 0.757 629 H THR 77 H THR 77 1.495 5.523 0.650 630 HA THR 77 HA THR 77 0.161 7.723 1.835 631 HB THR 77 HB THR 77 2.603 7.407 0.085 632 HG1 THR 77 HG1 THR 77 3.505 7.887 2.141 633 HG21 THR 77 HG21 THR 77 3.218 9.735 0.641 634 HG22 THR 77 HG22 THR 77 1.743 9.677 -0.351 635 HG23 THR 77 HG23 THR 77 1.628 9.970 1.402 636 H MET 78 H MET 78 0.734 7.027 -1.648 637 HA MET 78 HA MET 78 -0.653 9.311 -2.635 638 HB2 MET 78 HB1 MET 78 0.052 6.635 -3.912 639 HB3 MET 78 HB2 MET 78 -0.615 8.019 -4.810 640 HG2 MET 78 HG1 MET 78 1.256 9.386 -3.648 641 HG3 MET 78 HG2 MET 78 1.990 7.812 -3.294 642 HE1 MET 78 HE1 MET 78 2.757 6.438 -6.883 643 HE2 MET 78 HE2 MET 78 2.822 6.114 -5.132 644 HE3 MET 78 HE3 MET 78 1.250 6.213 -5.960 645 H LEU 79 H LEU 79 -1.748 6.062 -1.828 646 HA LEU 79 HA LEU 79 -4.418 6.226 -2.744 647 HB2 LEU 79 HB1 LEU 79 -3.024 4.274 -1.607 648 HB3 LEU 79 HB2 LEU 79 -3.803 4.888 -0.129 649 HG LEU 79 HG LEU 79 -5.202 3.188 -0.794 650 HD11 LEU 79 HD11 LEU 79 -7.308 4.130 -1.632 651 HD12 LEU 79 HD12 LEU 79 -6.544 5.182 -0.422 652 HD13 LEU 79 HD13 LEU 79 -6.439 5.589 -2.151 653 HD21 LEU 79 HD21 LEU 79 -5.867 2.693 -3.115 654 HD22 LEU 79 HD22 LEU 79 -4.931 4.096 -3.678 655 HD23 LEU 79 HD23 LEU 79 -4.100 2.713 -2.926 656 H CYS 80 H CYS 80 -3.090 7.066 0.522 657 HA CYS 80 HA CYS 80 -5.473 7.994 1.689 658 HB2 CYS 80 HB1 CYS 80 -3.318 7.490 2.833 659 HB3 CYS 80 HB2 CYS 80 -2.616 8.963 2.119 660 HG CYS 80 HG CYS 80 -3.184 9.380 4.641 661 H MET 81 H MET 81 -3.042 9.815 -0.225 662 HA MET 81 HA MET 81 -4.490 12.304 0.026 663 HB2 MET 81 HB1 MET 81 -2.135 11.588 -1.735 664 HB3 MET 81 HB2 MET 81 -2.745 13.229 -1.408 665 HG2 MET 81 HG1 MET 81 -1.231 11.348 0.360 666 HG3 MET 81 HG2 MET 81 -1.065 13.100 0.162 667 HE1 MET 81 HE1 MET 81 -1.798 13.470 3.825 668 HE2 MET 81 HE2 MET 81 -0.583 12.534 2.918 669 HE3 MET 81 HE3 MET 81 -1.041 14.166 2.371 670 H ALA 82 H ALA 82 -5.005 9.609 -1.953 671 HA ALA 82 HA ALA 82 -6.292 11.101 -4.104 672 HB1 ALA 82 HB1 ALA 82 -6.740 8.878 -5.076 673 HB2 ALA 82 HB2 ALA 82 -5.029 9.070 -4.638 674 HB3 ALA 82 HB3 ALA 82 -6.111 8.110 -3.601 675 H TYR 83 H TYR 83 -7.329 10.485 -0.974 676 HA TYR 83 HA TYR 83 -9.940 11.365 -1.798 677 HB2 TYR 83 HB1 TYR 83 -11.310 9.639 -0.942 678 HB3 TYR 83 HB2 TYR 83 -10.134 8.916 -2.053 679 HD1 TYR 83 HD2 TYR 83 -10.974 9.360 1.550 680 HD2 TYR 83 HD1 TYR 83 -8.814 7.048 -1.374 681 HE1 TYR 83 HE2 TYR 83 -10.428 7.676 3.291 682 HE2 TYR 83 HE1 TYR 83 -8.492 5.242 0.301 683 HH TYR 83 HH TYR 83 -9.394 5.704 3.759 684 H ASN 84 H ASN 84 -7.613 11.254 0.743 685 HA ASN 84 HA ASN 84 -9.534 11.564 2.905 686 HB2 ASN 84 HB1 ASN 84 -7.318 10.279 2.912 687 HB3 ASN 84 HB2 ASN 84 -6.547 11.865 3.134 688 HD21 ASN 84 HD21 ASN 84 -6.176 9.904 5.023 689 HD22 ASN 84 HD22 ASN 84 -7.053 10.298 6.490 690 H ASP 85 H ASP 85 -10.457 13.508 1.683 691 HA ASP 85 HA ASP 85 -9.069 16.014 1.808 692 HB2 ASP 85 HB1 ASP 85 -11.126 15.137 0.309 693 HB3 ASP 85 HB2 ASP 85 -12.037 16.028 1.547 694 H PHE 86 H PHE 86 -10.404 14.298 4.372 695 HA PHE 86 HA PHE 86 -11.480 16.391 5.977 696 HB2 PHE 86 HB1 PHE 86 -10.010 13.876 6.827 697 HB3 PHE 86 HB2 PHE 86 -11.111 14.839 7.824 698 HD1 PHE 86 HD2 PHE 86 -13.449 15.299 6.155 699 HD2 PHE 86 HD1 PHE 86 -10.967 11.791 6.448 700 HE1 PHE 86 HE2 PHE 86 -15.325 13.899 5.321 701 HE2 PHE 86 HE1 PHE 86 -12.855 10.390 5.652 702 HZ PHE 86 HZ PHE 86 -15.031 11.443 5.067 703 H PHE 87 H PHE 87 -8.220 15.859 4.985 704 HA PHE 87 HA PHE 87 -7.200 17.791 6.988 705 HB2 PHE 87 HB1 PHE 87 -5.803 15.977 4.991 706 HB3 PHE 87 HB2 PHE 87 -4.973 17.119 6.061 707 HD1 PHE 87 HD2 PHE 87 -5.344 16.858 8.609 708 HD2 PHE 87 HD1 PHE 87 -6.353 13.815 5.732 709 HE1 PHE 87 HE2 PHE 87 -5.415 15.170 10.429 710 HE2 PHE 87 HE1 PHE 87 -6.437 12.132 7.554 711 HZ PHE 87 HZ PHE 87 -6.000 12.808 9.904 712 H LEU 88 H LEU 88 -8.798 18.062 4.194 713 HA LEU 88 HA LEU 88 -7.306 20.445 3.230 714 HB2 LEU 88 HB1 LEU 88 -9.151 18.467 1.907 715 HB3 LEU 88 HB2 LEU 88 -8.812 20.066 1.201 716 HG LEU 88 HG LEU 88 -7.620 18.222 0.166 717 HD11 LEU 88 HD11 LEU 88 -5.438 19.366 0.025 718 HD12 LEU 88 HD12 LEU 88 -6.791 20.515 0.018 719 HD13 LEU 88 HD13 LEU 88 -5.830 20.277 1.497 720 HD21 LEU 88 HD21 LEU 88 -5.657 17.170 1.193 721 HD22 LEU 88 HD22 LEU 88 -6.041 17.979 2.724 722 HD23 LEU 88 HD23 LEU 88 -7.159 16.770 2.049 723 H GLU 89 H GLU 89 -10.543 20.074 2.229 724 HA GLU 89 HA GLU 89 -11.453 22.316 3.912 725 HB2 GLU 89 HB1 GLU 89 -11.000 22.389 0.899 726 HB3 GLU 89 HB2 GLU 89 -11.930 23.613 1.795 727 HG2 GLU 89 HG1 GLU 89 -9.893 24.649 1.660 728 HG3 GLU 89 HG2 GLU 89 -9.736 23.813 3.220 729 H ASP 90 H ASP 90 -12.194 19.501 2.235 730 HA ASP 90 HA ASP 90 -13.961 18.409 1.423 731 HB2 ASP 90 HB1 ASP 90 -14.987 19.139 3.600 732 HB3 ASP 90 HB2 ASP 90 -15.808 20.425 2.690 733 H ASN 91 H ASN 91 -12.622 19.866 -0.359 734 HA ASN 91 HA ASN 91 -14.364 20.954 -2.311 735 HB2 ASN 91 HB1 ASN 91 -14.135 22.646 -0.116 736 HB3 ASN 91 HB2 ASN 91 -13.023 23.348 -1.311 737 HD21 ASN 91 HD21 ASN 91 -16.318 21.883 -1.201 738 HD22 ASN 91 HD22 ASN 91 -17.057 23.059 -2.273 739 H LYS 92 H LYS 92 -11.941 19.252 -2.243 740 HA LYS 92 HA LYS 92 -10.188 20.542 -4.140 741 HB2 LYS 92 HB1 LYS 92 -10.670 17.862 -3.050 742 HB3 LYS 92 HB2 LYS 92 -10.204 17.843 -4.768 743 HG2 LYS 92 HG1 LYS 92 -8.321 17.587 -3.147 744 HG3 LYS 92 HG2 LYS 92 -8.142 18.913 -4.320 745 HD2 LYS 92 HD1 LYS 92 -9.234 19.537 -1.604 746 HD3 LYS 92 HD2 LYS 92 -7.494 19.209 -1.774 747 HE2 LYS 92 HE1 LYS 92 -7.128 21.261 -2.598 748 HE3 LYS 92 HE2 LYS 92 -8.370 21.033 -3.849 749 HZ1 LYS 92 HZ1 LYS 92 -8.867 22.884 -2.430 750 HZ2 LYS 92 HZ2 LYS 92 -10.011 21.709 -2.252 751 HZ3 LYS 92 HZ3 LYS 92 -8.859 21.922 -1.092 752 HA MET 1 HA MET 1 -13.840 -0.167 6.623 753 HB2 MET 1 HB1 MET 1 -11.951 0.681 4.645 754 HB3 MET 1 HB2 MET 1 -11.067 0.412 6.167 755 HG2 MET 1 HG1 MET 1 -12.905 -1.529 4.739 756 HG3 MET 1 HG2 MET 1 -11.142 -1.644 4.888 757 HE1 MET 1 HE1 MET 1 -14.084 -3.805 7.428 758 HE2 MET 1 HE2 MET 1 -14.612 -2.405 6.470 759 HE3 MET 1 HE3 MET 1 -13.755 -3.753 5.683 760 H GLU 2 H GLU 2 -12.801 -0.489 8.717 761 HA GLU 2 HA GLU 2 -10.729 1.552 9.348 762 HB2 GLU 2 HB1 GLU 2 -12.563 2.023 10.874 763 HB3 GLU 2 HB2 GLU 2 -12.668 0.304 11.324 764 HG2 GLU 2 HG1 GLU 2 -11.541 1.582 13.069 765 HG3 GLU 2 HG2 GLU 2 -10.420 0.426 12.318 766 H THR 3 H THR 3 -8.773 0.563 9.947 767 HA THR 3 HA THR 3 -8.621 -2.387 9.913 768 HB THR 3 HB THR 3 -6.966 -2.332 8.035 769 HG1 THR 3 HG1 THR 3 -6.996 -0.440 6.744 770 HG21 THR 3 HG21 THR 3 -8.587 -2.072 6.193 771 HG22 THR 3 HG22 THR 3 -9.298 -2.956 7.560 772 HG23 THR 3 HG23 THR 3 -9.702 -1.242 7.299 773 HA PRO 4 HA PRO 4 -4.841 -1.631 12.231 774 HB2 PRO 4 HB1 PRO 4 -3.176 -3.662 11.406 775 HB3 PRO 4 HB2 PRO 4 -4.549 -3.893 12.536 776 HG2 PRO 4 HG1 PRO 4 -4.519 -4.357 9.546 777 HG3 PRO 4 HG2 PRO 4 -5.115 -5.467 10.821 778 HD2 PRO 4 HD1 PRO 4 -6.823 -3.857 9.451 779 HD3 PRO 4 HD2 PRO 4 -7.030 -4.097 11.214 780 H LEU 5 H LEU 5 -4.552 -2.242 8.675 781 HA LEU 5 HA LEU 5 -2.037 -0.965 8.352 782 HB2 LEU 5 HB1 LEU 5 -3.037 -2.511 6.744 783 HB3 LEU 5 HB2 LEU 5 -4.332 -1.336 6.406 784 HG LEU 5 HG LEU 5 -2.870 0.124 5.273 785 HD11 LEU 5 HD11 LEU 5 -0.413 -0.157 5.076 786 HD12 LEU 5 HD12 LEU 5 -0.903 0.090 6.764 787 HD13 LEU 5 HD13 LEU 5 -0.490 -1.542 6.185 788 HD21 LEU 5 HD21 LEU 5 -1.912 -1.354 3.512 789 HD22 LEU 5 HD22 LEU 5 -2.035 -2.744 4.617 790 HD23 LEU 5 HD23 LEU 5 -3.510 -1.936 4.036 791 H GLU 6 H GLU 6 -5.377 0.421 7.978 792 HA GLU 6 HA GLU 6 -4.543 3.046 7.393 793 HB2 GLU 6 HB1 GLU 6 -6.828 2.413 7.135 794 HB3 GLU 6 HB2 GLU 6 -6.979 2.031 8.866 795 HG2 GLU 6 HG1 GLU 6 -8.070 4.178 8.088 796 HG3 GLU 6 HG2 GLU 6 -6.975 4.309 9.481 797 H LYS 7 H LYS 7 -4.511 1.394 10.633 798 HA LYS 7 HA LYS 7 -4.300 3.895 11.986 799 HB2 LYS 7 HB1 LYS 7 -3.314 1.239 12.973 800 HB3 LYS 7 HB2 LYS 7 -3.549 2.716 13.938 801 HG2 LYS 7 HG1 LYS 7 -5.436 0.646 13.136 802 HG3 LYS 7 HG2 LYS 7 -5.475 1.789 14.500 803 HD2 LYS 7 HD1 LYS 7 -6.478 2.286 11.696 804 HD3 LYS 7 HD2 LYS 7 -7.463 1.946 13.139 805 HE2 LYS 7 HE1 LYS 7 -7.068 4.091 14.044 806 HE3 LYS 7 HE2 LYS 7 -5.720 4.407 12.932 807 HZ1 LYS 7 HZ1 LYS 7 -7.723 5.513 12.236 808 HZ2 LYS 7 HZ2 LYS 7 -7.290 4.376 11.119 809 HZ3 LYS 7 HZ3 LYS 7 -8.543 4.082 12.150 810 H ALA 8 H ALA 8 -1.820 2.102 10.222 811 HA ALA 8 HA ALA 8 0.381 3.684 11.114 812 HB1 ALA 8 HB1 ALA 8 1.444 2.974 8.995 813 HB2 ALA 8 HB2 ALA 8 0.633 1.611 9.801 814 HB3 ALA 8 HB3 ALA 8 -0.131 2.400 8.401 815 H LEU 9 H LEU 9 -1.936 4.207 8.401 816 HA LEU 9 HA LEU 9 -0.686 6.610 7.455 817 HB2 LEU 9 HB1 LEU 9 -3.342 5.266 7.011 818 HB3 LEU 9 HB2 LEU 9 -3.010 6.883 6.343 819 HG LEU 9 HG LEU 9 -2.709 5.070 4.714 820 HD11 LEU 9 HD11 LEU 9 -0.514 5.798 3.825 821 HD12 LEU 9 HD12 LEU 9 -1.456 7.170 4.447 822 HD13 LEU 9 HD13 LEU 9 -0.115 6.500 5.408 823 HD21 LEU 9 HD21 LEU 9 -0.776 3.533 4.818 824 HD22 LEU 9 HD22 LEU 9 -0.376 4.160 6.431 825 HD23 LEU 9 HD23 LEU 9 -1.896 3.270 6.171 826 H THR 10 H THR 10 -3.673 6.097 9.423 827 HA THR 10 HA THR 10 -4.304 8.615 10.319 828 HB THR 10 HB THR 10 -4.171 5.982 11.804 829 HG1 THR 10 HG1 THR 10 -6.449 6.100 11.475 830 HG21 THR 10 HG21 THR 10 -5.737 6.947 13.483 831 HG22 THR 10 HG22 THR 10 -4.183 7.806 13.483 832 HG23 THR 10 HG23 THR 10 -5.600 8.526 12.684 833 H THR 11 H THR 11 -1.749 6.512 11.923 834 HA THR 11 HA THR 11 -0.791 8.529 13.647 835 HB THR 11 HB THR 11 0.463 6.091 12.417 836 HG1 THR 11 HG1 THR 11 0.478 5.559 14.665 837 HG21 THR 11 HG21 THR 11 2.455 6.397 13.876 838 HG22 THR 11 HG22 THR 11 2.340 7.695 12.670 839 HG23 THR 11 HG23 THR 11 1.847 7.995 14.354 840 H MET 12 H MET 12 0.434 7.748 10.286 841 HA MET 12 HA MET 12 2.456 9.711 10.387 842 HB2 MET 12 HB1 MET 12 1.029 8.442 8.038 843 HB3 MET 12 HB2 MET 12 2.386 9.579 7.848 844 HG2 MET 12 HG1 MET 12 3.765 8.093 9.313 845 HG3 MET 12 HG2 MET 12 2.425 6.935 9.344 846 HE1 MET 12 HE1 MET 12 5.831 6.375 6.819 847 HE2 MET 12 HE2 MET 12 5.684 7.817 7.851 848 HE3 MET 12 HE3 MET 12 5.399 6.200 8.537 849 H VAL 13 H VAL 13 -0.931 10.087 9.186 850 HA VAL 13 HA VAL 13 -0.552 12.832 8.449 851 HB VAL 13 HB VAL 13 -2.976 13.056 8.375 852 HG11 VAL 13 HG11 VAL 13 -3.394 11.460 6.532 853 HG12 VAL 13 HG12 VAL 13 -1.768 12.170 6.433 854 HG13 VAL 13 HG13 VAL 13 -1.981 10.512 7.044 855 HG21 VAL 13 HG21 VAL 13 -4.507 11.158 8.729 856 HG22 VAL 13 HG22 VAL 13 -3.146 10.186 9.324 857 HG23 VAL 13 HG23 VAL 13 -3.676 11.626 10.226 858 H THR 14 H THR 14 -1.571 11.296 11.522 859 HA THR 14 HA THR 14 -2.391 13.680 12.856 860 HB THR 14 HB THR 14 -1.288 11.090 13.998 861 HG1 THR 14 HG1 THR 14 -3.548 10.692 14.223 862 HG21 THR 14 HG21 THR 14 -2.533 11.713 16.055 863 HG22 THR 14 HG22 THR 14 -1.275 12.910 15.682 864 HG23 THR 14 HG23 THR 14 -2.979 13.263 15.307 865 H THR 15 H THR 15 0.769 12.053 12.606 866 HA THR 15 HA THR 15 2.240 13.918 14.230 867 HB THR 15 HB THR 15 3.219 12.006 12.076 868 HG1 THR 15 HG1 THR 15 3.458 10.606 13.892 869 HG21 THR 15 HG21 THR 15 5.279 11.965 13.457 870 HG22 THR 15 HG22 THR 15 4.920 13.615 12.897 871 HG23 THR 15 HG23 THR 15 4.547 13.142 14.571 872 H PHE 16 H PHE 16 1.833 13.585 10.652 873 HA PHE 16 HA PHE 16 3.626 15.669 9.930 874 HB2 PHE 16 HB1 PHE 16 2.764 13.829 8.506 875 HB3 PHE 16 HB2 PHE 16 1.171 14.604 8.503 876 HD1 PHE 16 HD2 PHE 16 0.768 16.661 7.209 877 HD2 PHE 16 HD1 PHE 16 4.584 14.665 7.133 878 HE1 PHE 16 HE2 PHE 16 1.360 17.859 5.117 879 HE2 PHE 16 HE1 PHE 16 5.106 15.747 4.959 880 HZ PHE 16 HZ PHE 16 3.506 17.370 3.964 881 H HIS 17 H HIS 17 0.087 15.747 10.551 882 HA HIS 17 HA HIS 17 -0.226 18.512 9.934 883 HB2 HIS 17 HB1 HIS 17 -1.967 16.635 10.027 884 HB3 HIS 17 HB2 HIS 17 -2.026 16.947 11.773 885 HD1 HIS 17 HD1 HIS 17 -2.701 19.643 12.373 886 HD2 HIS 17 HD2 HIS 17 -3.485 18.169 8.525 887 HE1 HIS 17 HE1 HIS 17 -4.367 21.254 11.307 888 HE2 HIS 17 HE2 HIS 17 -4.857 20.387 8.942 889 H LYS 18 H LYS 18 1.296 17.113 12.730 890 HA LYS 18 HA LYS 18 0.917 19.334 14.498 891 HB2 LYS 18 HB1 LYS 18 1.874 16.921 14.850 892 HB3 LYS 18 HB2 LYS 18 3.430 17.682 14.438 893 HG2 LYS 18 HG1 LYS 18 1.841 19.107 16.482 894 HG3 LYS 18 HG2 LYS 18 2.390 17.483 16.956 895 HD2 LYS 18 HD1 LYS 18 4.232 19.659 15.933 896 HD3 LYS 18 HD2 LYS 18 3.881 19.380 17.655 897 HE2 LYS 18 HE1 LYS 18 5.132 17.342 15.789 898 HE3 LYS 18 HE2 LYS 18 6.039 18.402 16.889 899 HZ1 LYS 18 HZ1 LYS 18 5.723 16.224 17.811 900 HZ2 LYS 18 HZ2 LYS 18 4.931 17.348 18.716 901 HZ3 LYS 18 HZ3 LYS 18 4.088 16.365 17.695 902 H TYR 19 H TYR 19 2.619 19.178 11.505 903 HA TYR 19 HA TYR 19 4.036 21.735 12.068 904 HB2 TYR 19 HB1 TYR 19 5.011 19.326 10.489 905 HB3 TYR 19 HB2 TYR 19 5.864 20.872 10.617 906 HD1 TYR 19 HD1 TYR 19 6.790 21.590 12.869 907 HD2 TYR 19 HD2 TYR 19 5.171 17.658 12.179 908 HE1 TYR 19 HE1 TYR 19 8.228 20.684 14.689 909 HE2 TYR 19 HE2 TYR 19 6.497 16.771 14.082 910 HH TYR 19 HH TYR 19 8.098 17.221 15.649 911 H SER 20 H SER 20 2.420 19.698 9.532 912 HA SER 20 HA SER 20 2.417 21.884 7.611 913 HB2 SER 20 HB1 SER 20 0.959 20.480 6.319 914 HB3 SER 20 HB2 SER 20 2.215 19.443 7.037 915 HG SER 20 HG SER 20 0.110 18.550 7.225 916 H GLY 21 H GLY 21 0.414 20.971 10.337 917 HA2 GLY 21 HA2 GLY 21 -1.207 22.862 9.421 918 H ARG 22 H ARG 22 0.062 24.194 9.260 919 HA ARG 22 HA ARG 22 0.126 25.992 11.631 920 HB2 ARG 22 HB1 ARG 22 2.204 25.284 9.534 921 HB3 ARG 22 HB2 ARG 22 2.341 26.711 10.590 922 HG2 ARG 22 HG1 ARG 22 2.133 23.832 11.538 923 HG3 ARG 22 HG2 ARG 22 3.643 24.768 11.412 924 HD2 ARG 22 HD1 ARG 22 1.320 25.306 13.294 925 HD3 ARG 22 HD2 ARG 22 2.923 24.676 13.727 926 HE ARG 22 HE ARG 22 3.846 26.805 13.482 927 HH11 ARG 22 HH12 ARG 22 0.339 27.045 13.110 928 HH12 ARG 22 HH11 ARG 22 0.385 28.755 12.798 929 HH21 ARG 22 HH22 ARG 22 3.811 28.988 12.743 930 HH22 ARG 22 HH21 ARG 22 2.282 29.813 12.598 931 H GLU 23 H GLU 23 1.245 26.621 8.379 932 HA GLU 23 HA GLU 23 -1.195 28.084 7.568 933 HB2 GLU 23 HB1 GLU 23 1.640 29.177 7.646 934 HB3 GLU 23 HB2 GLU 23 0.287 29.938 6.776 935 HG2 GLU 23 HG1 GLU 23 0.369 31.203 8.699 936 HG3 GLU 23 HG2 GLU 23 -0.854 29.989 9.128 937 H GLY 24 H GLY 24 -0.894 28.634 5.094 938 HA2 GLY 24 HA2 GLY 24 -0.741 28.067 3.399 939 H SER 25 H SER 25 -0.006 24.750 3.905 940 HA SER 25 HA SER 25 -2.756 24.189 3.306 941 HB2 SER 25 HB1 SER 25 -0.761 24.009 1.061 942 HB3 SER 25 HB2 SER 25 -2.038 22.774 1.184 943 HG SER 25 HG SER 25 -2.683 24.603 -0.050 944 H LYS 26 H LYS 26 -3.229 22.212 4.312 945 HA LYS 26 HA LYS 26 -0.998 21.468 5.962 946 HB2 LYS 26 HB1 LYS 26 -3.595 20.028 6.209 947 HB3 LYS 26 HB2 LYS 26 -2.472 20.607 7.463 948 HG2 LYS 26 HG1 LYS 26 -4.118 22.122 7.835 949 HG3 LYS 26 HG2 LYS 26 -3.342 22.984 6.484 950 HD2 LYS 26 HD1 LYS 26 -4.916 21.656 4.943 951 HD3 LYS 26 HD2 LYS 26 -5.805 21.207 6.417 952 HE2 LYS 26 HE1 LYS 26 -6.205 23.583 6.903 953 HE3 LYS 26 HE2 LYS 26 -5.305 24.039 5.441 954 HZ1 LYS 26 HZ1 LYS 26 -7.666 24.033 5.066 955 HZ2 LYS 26 HZ2 LYS 26 -6.943 22.872 4.145 956 HZ3 LYS 26 HZ3 LYS 26 -7.780 22.448 5.503 957 H LEU 27 H LEU 27 -1.460 20.283 3.015 958 HA LEU 27 HA LEU 27 -0.685 17.492 3.620 959 HB2 LEU 27 HB1 LEU 27 -1.644 18.909 1.124 960 HB3 LEU 27 HB2 LEU 27 -1.005 17.247 1.113 961 HG LEU 27 HG LEU 27 -3.655 18.164 1.578 962 HD11 LEU 27 HD11 LEU 27 -4.154 15.740 1.409 963 HD12 LEU 27 HD12 LEU 27 -2.945 16.243 0.207 964 HD13 LEU 27 HD13 LEU 27 -2.436 15.375 1.675 965 HD21 LEU 27 HD21 LEU 27 -4.363 16.896 3.579 966 HD22 LEU 27 HD22 LEU 27 -2.664 16.539 3.937 967 HD23 LEU 27 HD23 LEU 27 -3.257 18.217 3.993 968 H THR 28 H THR 28 0.638 20.512 2.228 969 HA THR 28 HA THR 28 3.259 19.153 2.001 970 HB THR 28 HB THR 28 4.098 21.315 1.185 971 HG1 THR 28 HG1 THR 28 2.564 22.952 0.712 972 HG21 THR 28 HG21 THR 28 2.911 21.359 -0.985 973 HG22 THR 28 HG22 THR 28 3.218 19.694 -0.447 974 HG23 THR 28 HG23 THR 28 1.593 20.403 -0.277 975 H LEU 29 H LEU 29 5.128 20.335 3.070 976 HA LEU 29 HA LEU 29 4.517 22.335 5.076 977 HB2 LEU 29 HB1 LEU 29 5.158 21.335 7.018 978 HB3 LEU 29 HB2 LEU 29 4.258 20.028 6.210 979 HG LEU 29 HG LEU 29 7.270 20.270 6.474 980 HD11 LEU 29 HD11 LEU 29 7.011 18.249 7.890 981 HD12 LEU 29 HD12 LEU 29 6.069 19.612 8.539 982 HD13 LEU 29 HD13 LEU 29 5.249 18.307 7.647 983 HD21 LEU 29 HD21 LEU 29 7.386 18.021 5.464 984 HD22 LEU 29 HD22 LEU 29 5.631 18.056 5.194 985 HD23 LEU 29 HD23 LEU 29 6.690 19.201 4.335 986 H SER 30 H SER 30 6.783 23.082 6.133 987 HA SER 30 HA SER 30 8.284 23.687 3.771 988 HB2 SER 30 HB1 SER 30 9.523 25.220 4.942 989 HB3 SER 30 HB2 SER 30 8.014 25.170 5.885 990 HG SER 30 HG SER 30 9.890 25.019 7.200 991 H ARG 31 H ARG 31 10.397 23.366 3.262 992 HA ARG 31 HA ARG 31 11.361 20.738 3.287 993 HB2 ARG 31 HB1 ARG 31 11.654 22.530 1.630 994 HB3 ARG 31 HB2 ARG 31 12.715 23.397 2.767 995 HG2 ARG 31 HG1 ARG 31 14.118 22.334 1.160 996 HG3 ARG 31 HG2 ARG 31 14.265 21.396 2.664 997 HD2 ARG 31 HD1 ARG 31 12.775 19.702 1.871 998 HD3 ARG 31 HD2 ARG 31 12.225 20.717 0.519 999 HE ARG 31 HE ARG 31 14.531 18.994 0.579 1000 HH11 ARG 31 HH12 ARG 31 12.988 21.667 -1.072 1001 HH12 ARG 31 HH11 ARG 31 14.203 21.756 -2.322 1002 HH21 ARG 31 HH22 ARG 31 16.231 19.311 -0.923 1003 HH22 ARG 31 HH21 ARG 31 16.011 20.442 -2.237 1004 H LYS 32 H LYS 32 12.144 23.371 5.600 1005 HA LYS 32 HA LYS 32 13.834 21.445 7.000 1006 HB2 LYS 32 HB1 LYS 32 14.550 23.255 8.486 1007 HB3 LYS 32 HB2 LYS 32 15.003 23.389 6.769 1008 HG2 LYS 32 HG1 LYS 32 14.497 25.550 7.301 1009 HG3 LYS 32 HG2 LYS 32 12.960 24.974 6.614 1010 HD2 LYS 32 HD1 LYS 32 12.587 24.446 9.290 1011 HD3 LYS 32 HD2 LYS 32 13.568 25.930 9.346 1012 HE2 LYS 32 HE1 LYS 32 12.101 27.049 7.783 1013 HE3 LYS 32 HE2 LYS 32 11.221 25.542 7.449 1014 HZ1 LYS 32 HZ1 LYS 32 9.990 26.995 8.875 1015 HZ2 LYS 32 HZ2 LYS 32 10.390 25.610 9.674 1016 HZ3 LYS 32 HZ3 LYS 32 11.207 27.009 9.984 1017 H GLU 33 H GLU 33 10.564 22.690 7.402 1018 HA GLU 33 HA GLU 33 10.200 21.602 9.998 1019 HB2 GLU 33 HB1 GLU 33 8.398 22.259 7.764 1020 HB3 GLU 33 HB2 GLU 33 7.840 20.913 8.786 1021 HG2 GLU 33 HG1 GLU 33 6.925 23.011 9.615 1022 HG3 GLU 33 HG2 GLU 33 8.091 22.362 10.788 1023 H LEU 34 H LEU 34 10.079 19.882 6.749 1024 HA LEU 34 HA LEU 34 9.472 17.338 7.793 1025 HB2 LEU 34 HB1 LEU 34 9.606 17.820 5.383 1026 HB3 LEU 34 HB2 LEU 34 11.367 18.044 5.511 1027 HG LEU 34 HG LEU 34 11.563 15.683 6.296 1028 HD11 LEU 34 HD11 LEU 34 9.657 14.129 5.998 1029 HD12 LEU 34 HD12 LEU 34 9.279 15.403 7.177 1030 HD13 LEU 34 HD13 LEU 34 8.625 15.495 5.524 1031 HD21 LEU 34 HD21 LEU 34 11.201 14.570 4.121 1032 HD22 LEU 34 HD22 LEU 34 10.200 15.939 3.595 1033 HD23 LEU 34 HD23 LEU 34 11.934 16.175 3.920 1034 H LYS 35 H LYS 35 12.618 18.943 7.479 1035 HA LYS 35 HA LYS 35 14.330 16.913 8.435 1036 HB2 LYS 35 HB1 LYS 35 14.550 19.269 7.183 1037 HB3 LYS 35 HB2 LYS 35 14.885 19.835 8.836 1038 HG2 LYS 35 HG1 LYS 35 16.385 17.508 7.670 1039 HG3 LYS 35 HG2 LYS 35 16.844 19.182 7.273 1040 HD2 LYS 35 HD1 LYS 35 16.540 18.793 10.157 1041 HD3 LYS 35 HD2 LYS 35 17.736 17.677 9.453 1042 HE2 LYS 35 HE1 LYS 35 17.697 20.669 8.922 1043 HE3 LYS 35 HE2 LYS 35 18.669 19.907 10.198 1044 HZ1 LYS 35 HZ1 LYS 35 19.935 20.241 8.196 1045 HZ2 LYS 35 HZ2 LYS 35 19.778 18.628 8.502 1046 HZ3 LYS 35 HZ3 LYS 35 18.874 19.336 7.318 1047 H GLU 36 H GLU 36 12.530 19.416 10.194 1048 HA GLU 36 HA GLU 36 13.599 18.863 12.815 1049 HB2 GLU 36 HB1 GLU 36 12.642 21.007 12.141 1050 HB3 GLU 36 HB2 GLU 36 11.079 20.229 11.799 1051 HG2 GLU 36 HG1 GLU 36 10.824 21.394 13.832 1052 HG3 GLU 36 HG2 GLU 36 10.937 19.669 14.248 1053 H LEU 37 H LEU 37 10.531 18.053 11.200 1054 HA LEU 37 HA LEU 37 9.183 16.548 13.079 1055 HB2 LEU 37 HB1 LEU 37 8.054 17.272 11.206 1056 HB3 LEU 37 HB2 LEU 37 9.330 16.728 10.091 1057 HG LEU 37 HG LEU 37 8.535 14.461 10.212 1058 HD11 LEU 37 HD11 LEU 37 6.432 13.834 11.349 1059 HD12 LEU 37 HD12 LEU 37 7.665 14.369 12.510 1060 HD13 LEU 37 HD13 LEU 37 6.337 15.462 12.052 1061 HD21 LEU 37 HD21 LEU 37 6.338 14.807 9.097 1062 HD22 LEU 37 HD22 LEU 37 6.264 16.453 9.764 1063 HD23 LEU 37 HD23 LEU 37 7.521 16.029 8.579 1064 H ILE 38 H ILE 38 11.503 15.249 10.626 1065 HA ILE 38 HA ILE 38 11.128 12.534 11.417 1066 HB ILE 38 HB ILE 38 13.261 13.934 9.791 1067 HG12 ILE 38 HG13 ILE 38 10.921 12.112 9.080 1068 HG13 ILE 38 HG12 ILE 38 10.938 13.886 8.930 1069 HG21 ILE 38 HG21 ILE 38 14.020 11.715 8.994 1070 HG22 ILE 38 HG22 ILE 38 14.300 11.908 10.739 1071 HG23 ILE 38 HG23 ILE 38 12.932 10.928 10.160 1072 HD11 ILE 38 HD11 ILE 38 11.321 12.802 6.745 1073 HD12 ILE 38 HD12 ILE 38 12.743 13.728 7.266 1074 HD13 ILE 38 HD13 ILE 38 12.730 11.955 7.417 1075 H LYS 39 H LYS 39 13.391 14.979 12.667 1076 HA LYS 39 HA LYS 39 14.763 12.971 14.330 1077 HB2 LYS 39 HB1 LYS 39 15.903 14.613 12.873 1078 HB3 LYS 39 HB2 LYS 39 15.171 15.933 13.819 1079 HG2 LYS 39 HG1 LYS 39 17.437 15.688 14.465 1080 HG3 LYS 39 HG2 LYS 39 16.395 15.137 15.800 1081 HD2 LYS 39 HD1 LYS 39 17.638 13.190 13.861 1082 HD3 LYS 39 HD2 LYS 39 18.537 13.809 15.267 1083 HE2 LYS 39 HE1 LYS 39 16.316 12.972 16.531 1084 HE3 LYS 39 HE2 LYS 39 16.272 11.870 15.138 1085 HZ1 LYS 39 HZ1 LYS 39 17.474 10.927 16.977 1086 HZ2 LYS 39 HZ2 LYS 39 18.488 11.169 15.702 1087 HZ3 LYS 39 HZ3 LYS 39 18.530 12.192 16.995 1088 H LYS 40 H LYS 40 12.107 15.219 14.757 1089 HA LYS 40 HA LYS 40 12.332 15.038 17.687 1090 HB2 LYS 40 HB1 LYS 40 10.711 16.560 15.718 1091 HB3 LYS 40 HB2 LYS 40 9.858 16.088 17.208 1092 HG2 LYS 40 HG1 LYS 40 10.787 18.260 17.545 1093 HG3 LYS 40 HG2 LYS 40 11.719 17.101 18.521 1094 HD2 LYS 40 HD1 LYS 40 13.531 17.138 16.845 1095 HD3 LYS 40 HD2 LYS 40 12.598 18.289 15.857 1096 HE2 LYS 40 HE1 LYS 40 12.446 19.773 17.922 1097 HE3 LYS 40 HE2 LYS 40 13.609 18.681 18.705 1098 HZ1 LYS 40 HZ1 LYS 40 14.683 20.579 17.740 1099 HZ2 LYS 40 HZ2 LYS 40 15.167 19.202 16.974 1100 HZ3 LYS 40 HZ3 LYS 40 14.088 20.215 16.247 1101 H GLU 41 H GLU 41 10.001 13.952 15.146 1102 HA GLU 41 HA GLU 41 8.424 12.572 17.184 1103 HB2 GLU 41 HB1 GLU 41 8.047 12.685 14.180 1104 HB3 GLU 41 HB2 GLU 41 6.847 12.177 15.391 1105 HG2 GLU 41 HG1 GLU 41 8.040 14.964 15.244 1106 HG3 GLU 41 HG2 GLU 41 6.514 14.493 14.466 1107 H LEU 42 H LEU 42 10.699 11.588 14.573 1108 HA LEU 42 HA LEU 42 10.983 9.126 16.227 1109 HB2 LEU 42 HB1 LEU 42 11.081 9.539 13.342 1110 HB3 LEU 42 HB2 LEU 42 12.595 8.828 13.953 1111 HG LEU 42 HG LEU 42 9.876 7.715 14.724 1112 HD11 LEU 42 HD11 LEU 42 10.150 6.039 12.919 1113 HD12 LEU 42 HD12 LEU 42 10.027 7.685 12.256 1114 HD13 LEU 42 HD13 LEU 42 11.613 6.885 12.358 1115 HD21 LEU 42 HD21 LEU 42 11.208 5.668 15.169 1116 HD22 LEU 42 HD22 LEU 42 12.681 6.510 14.628 1117 HD23 LEU 42 HD23 LEU 42 11.832 7.053 16.096 1118 H CYS 43 H CYS 43 13.315 8.506 16.600 1119 HA CYS 43 HA CYS 43 15.305 10.577 16.496 1120 HB2 CYS 43 HB1 CYS 43 13.767 11.488 18.228 1121 HB3 CYS 43 HB2 CYS 43 14.118 10.066 19.240 1122 HG CYS 43 HG CYS 43 15.443 12.142 20.134 1123 H LEU 44 H LEU 44 14.308 7.698 18.180 1124 HA LEU 44 HA LEU 44 15.174 5.697 18.522 1125 HB2 LEU 44 HB1 LEU 44 15.669 6.071 16.030 1126 HB3 LEU 44 HB2 LEU 44 17.368 6.207 16.543 1127 HG LEU 44 HG LEU 44 15.602 3.830 17.184 1128 HD11 LEU 44 HD11 LEU 44 16.733 2.654 15.318 1129 HD12 LEU 44 HD12 LEU 44 15.827 4.070 14.738 1130 HD13 LEU 44 HD13 LEU 44 17.598 4.152 14.904 1131 HD21 LEU 44 HD21 LEU 44 17.729 2.639 17.600 1132 HD22 LEU 44 HD22 LEU 44 18.626 4.125 17.231 1133 HD23 LEU 44 HD23 LEU 44 17.560 4.058 18.654 1134 H GLY 45 H GLY 45 18.464 6.783 17.924 1135 HA2 GLY 45 HA2 GLY 45 18.400 8.085 20.069 1136 H GLU 46 H GLU 46 20.030 7.662 17.445 1137 HA GLU 46 HA GLU 46 21.026 10.428 17.762 1138 HB2 GLU 46 HB1 GLU 46 23.104 9.858 16.781 1139 HB3 GLU 46 HB2 GLU 46 22.794 8.697 18.094 1140 HG2 GLU 46 HG1 GLU 46 22.520 8.177 15.129 1141 HG3 GLU 46 HG2 GLU 46 23.851 7.641 16.179 1142 H MET 47 H MET 47 19.484 8.073 15.655 1143 HA MET 47 HA MET 47 19.027 7.845 13.517 1144 HB2 MET 47 HB1 MET 47 18.561 10.637 13.995 1145 HB3 MET 47 HB2 MET 47 19.099 10.370 12.319 1146 HG2 MET 47 HG1 MET 47 16.663 10.200 12.551 1147 HG3 MET 47 HG2 MET 47 17.405 8.695 11.981 1148 HE1 MET 47 HE1 MET 47 16.119 6.036 14.192 1149 HE2 MET 47 HE2 MET 47 16.179 6.644 12.522 1150 HE3 MET 47 HE3 MET 47 17.677 6.507 13.475 1151 H LYS 48 H LYS 48 20.077 7.166 11.682 1152 HA LYS 48 HA LYS 48 22.818 6.856 12.289 1153 HB2 LYS 48 HB1 LYS 48 21.097 5.956 10.015 1154 HB3 LYS 48 HB2 LYS 48 22.846 5.632 10.032 1155 HG2 LYS 48 HG1 LYS 48 20.842 4.661 12.072 1156 HG3 LYS 48 HG2 LYS 48 21.524 3.709 10.731 1157 HD2 LYS 48 HD1 LYS 48 22.892 2.997 12.445 1158 HD3 LYS 48 HD2 LYS 48 23.829 4.408 11.901 1159 HE2 LYS 48 HE1 LYS 48 22.311 5.733 13.572 1160 HE3 LYS 48 HE2 LYS 48 22.005 4.135 14.287 1161 HZ1 LYS 48 HZ1 LYS 48 23.821 5.251 15.353 1162 HZ2 LYS 48 HZ2 LYS 48 24.357 3.891 14.594 1163 HZ3 LYS 48 HZ3 LYS 48 24.642 5.373 13.930 1164 H GLU 49 H GLU 49 24.219 8.157 12.139 1165 HA GLU 49 HA GLU 49 25.270 10.194 11.226 1166 HB2 GLU 49 HB1 GLU 49 26.697 7.564 10.728 1167 HB3 GLU 49 HB2 GLU 49 27.463 9.151 10.984 1168 HG2 GLU 49 HG1 GLU 49 27.737 7.967 13.002 1169 HG3 GLU 49 HG2 GLU 49 26.430 9.132 13.305 1170 H SER 50 H SER 50 26.717 8.035 8.932 1171 HA SER 50 HA SER 50 26.686 10.061 6.887 1172 HB2 SER 50 HB1 SER 50 27.666 7.204 6.611 1173 HB3 SER 50 HB2 SER 50 28.277 8.671 5.807 1174 HG SER 50 HG SER 50 29.642 7.962 7.521 1175 H SER 51 H SER 51 23.989 9.201 7.344 1176 HA SER 51 HA SER 51 23.260 8.469 4.606 1177 HB2 SER 51 HB1 SER 51 22.315 6.772 6.950 1178 HB3 SER 51 HB2 SER 51 21.808 6.605 5.253 1179 HG SER 51 HG SER 51 23.466 5.127 5.834 1180 H ILE 52 H ILE 52 21.849 8.968 7.986 1181 HA ILE 52 HA ILE 52 19.696 10.493 6.919 1182 HB ILE 52 HB ILE 52 19.383 11.543 9.019 1183 HG12 ILE 52 HG13 ILE 52 21.048 10.552 10.926 1184 HG13 ILE 52 HG12 ILE 52 22.186 10.893 9.602 1185 HG21 ILE 52 HG21 ILE 52 19.001 9.533 10.382 1186 HG22 ILE 52 HG22 ILE 52 18.592 9.264 8.673 1187 HG23 ILE 52 HG23 ILE 52 20.112 8.618 9.338 1188 HD11 ILE 52 HD11 ILE 52 21.965 12.846 11.112 1189 HD12 ILE 52 HD12 ILE 52 21.355 13.217 9.485 1190 HD13 ILE 52 HD13 ILE 52 20.214 12.875 10.808 1191 H ASP 53 H ASP 53 23.152 11.427 7.598 1192 HA ASP 53 HA ASP 53 22.348 14.162 7.531 1193 HB2 ASP 53 HB1 ASP 53 24.413 13.440 8.718 1194 HB3 ASP 53 HB2 ASP 53 25.205 13.276 7.136 1195 H ASP 54 H ASP 54 23.510 12.058 4.807 1196 HA ASP 54 HA ASP 54 23.670 14.269 2.982 1197 HB2 ASP 54 HB1 ASP 54 24.613 11.998 2.465 1198 HB3 ASP 54 HB2 ASP 54 22.952 11.398 2.267 1199 H LEU 55 H LEU 55 20.985 12.031 3.827 1200 HA LEU 55 HA LEU 55 19.140 13.048 1.894 1201 HB2 LEU 55 HB1 LEU 55 18.716 11.591 4.525 1202 HB3 LEU 55 HB2 LEU 55 17.459 11.862 3.295 1203 HG LEU 55 HG LEU 55 20.049 10.336 2.819 1204 HD11 LEU 55 HD11 LEU 55 18.637 8.306 2.891 1205 HD12 LEU 55 HD12 LEU 55 18.593 9.179 4.442 1206 HD13 LEU 55 HD13 LEU 55 17.224 9.305 3.310 1207 HD21 LEU 55 HD21 LEU 55 18.952 9.576 0.738 1208 HD22 LEU 55 HD22 LEU 55 17.539 10.587 1.115 1209 HD23 LEU 55 HD23 LEU 55 19.112 11.347 0.776 1210 H MET 56 H MET 56 19.727 13.867 5.315 1211 HA MET 56 HA MET 56 17.920 16.080 5.479 1212 HB2 MET 56 HB1 MET 56 20.452 15.423 7.031 1213 HB3 MET 56 HB2 MET 56 19.233 16.631 7.501 1214 HG2 MET 56 HG1 MET 56 18.488 13.746 7.046 1215 HG3 MET 56 HG2 MET 56 19.192 14.270 8.586 1216 HE1 MET 56 HE1 MET 56 16.472 15.381 10.649 1217 HE2 MET 56 HE2 MET 56 17.745 14.155 10.426 1218 HE3 MET 56 HE3 MET 56 18.133 15.881 10.239 1219 H LYS 57 H LYS 57 21.311 15.776 4.319 1220 HA LYS 57 HA LYS 57 21.858 18.574 4.116 1221 HB2 LYS 57 HB1 LYS 57 23.487 16.502 3.904 1222 HB3 LYS 57 HB2 LYS 57 23.053 16.584 2.180 1223 HG2 LYS 57 HG1 LYS 57 25.164 17.772 2.728 1224 HG3 LYS 57 HG2 LYS 57 23.925 18.831 2.014 1225 HD2 LYS 57 HD1 LYS 57 25.041 19.926 3.886 1226 HD3 LYS 57 HD2 LYS 57 23.317 19.649 4.228 1227 HE2 LYS 57 HE1 LYS 57 25.422 17.737 5.249 1228 HE3 LYS 57 HE2 LYS 57 25.078 19.255 6.107 1229 HZ1 LYS 57 HZ1 LYS 57 23.833 17.422 7.005 1230 HZ2 LYS 57 HZ2 LYS 57 22.814 18.532 6.342 1231 HZ3 LYS 57 HZ3 LYS 57 23.133 17.125 5.545 1232 H SER 58 H SER 58 20.510 16.229 2.056 1233 HA SER 58 HA SER 58 19.899 17.829 -0.219 1234 HB2 SER 58 HB1 SER 58 19.076 15.065 0.673 1235 HB3 SER 58 HB2 SER 58 18.530 15.805 -0.851 1236 HG SER 58 HG SER 58 20.496 14.609 -1.097 1237 H LEU 59 H LEU 59 18.398 17.712 2.918 1238 HA LEU 59 HA LEU 59 16.077 19.169 1.815 1239 HB2 LEU 59 HB1 LEU 59 16.810 18.555 4.690 1240 HB3 LEU 59 HB2 LEU 59 15.312 19.339 4.134 1241 HG LEU 59 HG LEU 59 16.188 16.477 3.652 1242 HD11 LEU 59 HD11 LEU 59 14.151 15.925 4.958 1243 HD12 LEU 59 HD12 LEU 59 15.261 16.948 5.896 1244 HD13 LEU 59 HD13 LEU 59 13.810 17.659 5.151 1245 HD21 LEU 59 HD21 LEU 59 14.030 16.118 2.495 1246 HD22 LEU 59 HD22 LEU 59 13.672 17.852 2.642 1247 HD23 LEU 59 HD23 LEU 59 15.037 17.304 1.639 1248 H ASP 60 H ASP 60 18.874 19.733 3.965 1249 HA ASP 60 HA ASP 60 18.889 22.480 4.294 1250 HB2 ASP 60 HB1 ASP 60 21.144 20.511 3.766 1251 HB3 ASP 60 HB2 ASP 60 21.409 22.181 4.310 1252 H LYS 61 H LYS 61 19.687 20.675 1.398 1253 HA LYS 61 HA LYS 61 21.218 22.309 -0.200 1254 HB2 LYS 61 HB1 LYS 61 20.027 19.908 -0.371 1255 HB3 LYS 61 HB2 LYS 61 18.884 20.832 -1.376 1256 HG2 LYS 61 HG1 LYS 61 20.360 19.897 -2.908 1257 HG3 LYS 61 HG2 LYS 61 20.936 21.570 -2.718 1258 HD2 LYS 61 HD1 LYS 61 22.819 20.057 -2.837 1259 HD3 LYS 61 HD2 LYS 61 22.720 20.778 -1.213 1260 HE2 LYS 61 HE1 LYS 61 23.358 18.491 -0.964 1261 HE3 LYS 61 HE2 LYS 61 21.680 18.651 -0.402 1262 HZ1 LYS 61 HZ1 LYS 61 21.993 16.678 -1.715 1263 HZ2 LYS 61 HZ2 LYS 61 20.963 17.712 -2.476 1264 HZ3 LYS 61 HZ3 LYS 61 22.520 17.563 -2.998 1265 H ASN 62 H ASN 62 17.854 22.794 0.609 1266 HA ASN 62 HA ASN 62 17.936 25.430 -0.734 1267 HB2 ASN 62 HB1 ASN 62 15.520 23.587 -0.771 1268 HB3 ASN 62 HB2 ASN 62 15.666 25.182 -1.538 1269 HD21 ASN 62 HD21 ASN 62 17.126 25.381 -3.398 1270 HD22 ASN 62 HD22 ASN 62 17.412 23.977 -4.410 1271 H SER 63 H SER 63 16.069 23.321 1.458 1272 HA SER 63 HA SER 63 15.645 23.344 3.596 1273 HB2 SER 63 HB1 SER 63 16.575 24.834 5.218 1274 HB3 SER 63 HB2 SER 63 17.812 24.395 4.015 1275 HG SER 63 HG SER 63 17.842 26.624 4.549 1276 H ASP 64 H ASP 64 14.546 26.298 1.906 1277 HA ASP 64 HA ASP 64 12.204 26.180 3.714 1278 HB2 ASP 64 HB1 ASP 64 13.938 28.024 4.389 1279 HB3 ASP 64 HB2 ASP 64 13.211 28.910 3.031 1280 H GLN 65 H GLN 65 11.884 24.893 1.899 1281 HA GLN 65 HA GLN 65 10.369 26.304 -0.252 1282 HB2 GLN 65 HB1 GLN 65 11.812 23.621 -0.292 1283 HB3 GLN 65 HB2 GLN 65 10.947 24.379 -1.650 1284 HG2 GLN 65 HG1 GLN 65 13.400 25.603 -0.372 1285 HG3 GLN 65 HG2 GLN 65 13.480 24.454 -1.726 1286 HE21 GLN 65 HE12 GLN 65 12.433 27.765 -0.797 1287 HE22 GLN 65 HE22 GLN 65 12.297 28.339 -2.442 1288 H GLU 66 H GLU 66 8.615 24.402 -1.038 1289 HA GLU 66 HA GLU 66 7.524 23.134 1.387 1290 HB2 GLU 66 HB1 GLU 66 6.486 23.044 -1.461 1291 HB3 GLU 66 HB2 GLU 66 5.648 22.454 -0.007 1292 HG2 GLU 66 HG1 GLU 66 5.651 24.785 0.892 1293 HG3 GLU 66 HG2 GLU 66 6.388 25.340 -0.627 1294 H ILE 67 H ILE 67 6.576 20.843 0.739 1295 HA ILE 67 HA ILE 67 8.085 18.947 -0.778 1296 HB ILE 67 HB ILE 67 9.057 19.538 1.847 1297 HG12 ILE 67 HG13 ILE 67 9.722 17.545 -0.322 1298 HG13 ILE 67 HG12 ILE 67 10.467 19.131 -0.009 1299 HG21 ILE 67 HG21 ILE 67 9.125 17.326 2.925 1300 HG22 ILE 67 HG22 ILE 67 7.467 17.949 2.794 1301 HG23 ILE 67 HG23 ILE 67 8.039 16.691 1.672 1302 HD11 ILE 67 HD11 ILE 67 11.985 17.289 0.640 1303 HD12 ILE 67 HD12 ILE 67 11.484 18.248 2.048 1304 HD13 ILE 67 HD13 ILE 67 10.739 16.662 1.735 1305 H ASP 68 H ASP 68 6.870 16.972 -0.910 1306 HA ASP 68 HA ASP 68 4.111 17.146 0.138 1307 HB2 ASP 68 HB1 ASP 68 4.312 16.878 -2.258 1308 HB3 ASP 68 HB2 ASP 68 5.382 15.472 -2.060 1309 H PHE 69 H PHE 69 2.995 15.248 0.905 1310 HA PHE 69 HA PHE 69 4.176 13.865 3.020 1311 HB2 PHE 69 HB1 PHE 69 1.707 14.349 2.283 1312 HB3 PHE 69 HB2 PHE 69 1.834 12.781 1.468 1313 HD1 PHE 69 HD2 PHE 69 2.479 10.719 2.932 1314 HD2 PHE 69 HD1 PHE 69 1.262 14.502 4.581 1315 HE1 PHE 69 HE2 PHE 69 1.745 9.568 5.006 1316 HE2 PHE 69 HE1 PHE 69 0.500 13.349 6.642 1317 HZ PHE 69 HZ PHE 69 0.687 10.881 6.830 1318 H LYS 70 H LYS 70 4.093 12.904 -0.415 1319 HA LYS 70 HA LYS 70 5.011 10.218 -0.139 1320 HB2 LYS 70 HB1 LYS 70 4.087 11.373 -2.163 1321 HB3 LYS 70 HB2 LYS 70 5.604 12.300 -2.272 1322 HG2 LYS 70 HG1 LYS 70 6.849 10.178 -2.593 1323 HG3 LYS 70 HG2 LYS 70 5.310 9.286 -2.547 1324 HD2 LYS 70 HD1 LYS 70 4.473 10.598 -4.475 1325 HD3 LYS 70 HD2 LYS 70 5.980 11.544 -4.502 1326 HE2 LYS 70 HE1 LYS 70 7.263 9.425 -4.816 1327 HE3 LYS 70 HE2 LYS 70 5.727 8.532 -4.881 1328 HZ1 LYS 70 HZ1 LYS 70 6.556 9.036 -7.065 1329 HZ2 LYS 70 HZ2 LYS 70 5.131 9.824 -6.805 1330 HZ3 LYS 70 HZ3 LYS 70 6.556 10.653 -6.744 1331 H GLU 71 H GLU 71 6.746 13.306 -0.523 1332 HA GLU 71 HA GLU 71 9.390 12.233 -0.457 1333 HB2 GLU 71 HB1 GLU 71 8.495 15.063 0.180 1334 HB3 GLU 71 HB2 GLU 71 10.093 14.530 -0.396 1335 HG2 GLU 71 HG1 GLU 71 8.985 13.699 -2.501 1336 HG3 GLU 71 HG2 GLU 71 7.462 14.410 -1.929 1337 H TYR 72 H TYR 72 7.088 13.122 2.056 1338 HA TYR 72 HA TYR 72 8.933 12.817 4.266 1339 HB2 TYR 72 HB1 TYR 72 7.068 14.125 4.677 1340 HB3 TYR 72 HB2 TYR 72 5.967 12.998 3.866 1341 HD1 TYR 72 HD2 TYR 72 8.280 12.735 6.873 1342 HD2 TYR 72 HD1 TYR 72 4.357 12.135 5.218 1343 HE1 TYR 72 HE2 TYR 72 7.410 12.204 9.140 1344 HE2 TYR 72 HE1 TYR 72 3.471 11.631 7.482 1345 HH TYR 72 HH TYR 72 5.536 11.800 10.412 1346 H SER 73 H SER 73 6.508 10.565 2.785 1347 HA SER 73 HA SER 73 7.101 8.482 4.671 1348 HB2 SER 73 HB1 SER 73 5.740 7.064 3.052 1349 HB3 SER 73 HB2 SER 73 4.926 8.475 3.769 1350 HG SER 73 HG SER 73 4.577 8.300 1.509 1351 H VAL 74 H VAL 74 8.300 9.053 1.285 1352 HA VAL 74 HA VAL 74 9.821 6.670 1.137 1353 HB VAL 74 HB VAL 74 11.348 7.764 -0.402 1354 HG11 VAL 74 HG11 VAL 74 9.763 8.245 -2.214 1355 HG12 VAL 74 HG12 VAL 74 9.269 6.838 -1.250 1356 HG13 VAL 74 HG13 VAL 74 8.460 8.406 -1.020 1357 HG21 VAL 74 HG21 VAL 74 11.098 10.082 -1.172 1358 HG22 VAL 74 HG22 VAL 74 9.858 10.349 0.069 1359 HG23 VAL 74 HG23 VAL 74 11.536 9.990 0.544 1360 H PHE 75 H PHE 75 10.564 9.757 2.803 1361 HA PHE 75 HA PHE 75 13.388 9.216 3.107 1362 HB2 PHE 75 HB1 PHE 75 11.980 11.406 3.108 1363 HB3 PHE 75 HB2 PHE 75 11.694 11.034 4.817 1364 HD1 PHE 75 HD1 PHE 75 14.041 10.476 6.153 1365 HD2 PHE 75 HD2 PHE 75 13.630 12.891 2.613 1366 HE1 PHE 75 HE1 PHE 75 15.973 11.861 6.870 1367 HE2 PHE 75 HE2 PHE 75 15.598 14.233 3.301 1368 HZ PHE 75 HZ PHE 75 16.716 13.781 5.473 1369 H LEU 76 H LEU 76 10.558 8.984 5.353 1370 HA LEU 76 HA LEU 76 11.942 7.784 7.511 1371 HB2 LEU 76 HB1 LEU 76 9.065 7.651 6.578 1372 HB3 LEU 76 HB2 LEU 76 9.628 6.886 8.084 1373 HG LEU 76 HG LEU 76 9.828 9.860 7.455 1374 HD11 LEU 76 HD11 LEU 76 7.978 10.074 9.098 1375 HD12 LEU 76 HD12 LEU 76 7.486 9.074 7.710 1376 HD13 LEU 76 HD13 LEU 76 7.912 8.302 9.255 1377 HD21 LEU 76 HD21 LEU 76 10.349 10.088 9.870 1378 HD22 LEU 76 HD22 LEU 76 10.291 8.320 10.048 1379 HD23 LEU 76 HD23 LEU 76 11.556 9.073 9.047 1380 H THR 77 H THR 77 10.265 6.211 4.707 1381 HA THR 77 HA THR 77 10.854 3.553 5.582 1382 HB THR 77 HB THR 77 10.112 4.590 2.828 1383 HG1 THR 77 HG1 THR 77 8.101 3.779 3.592 1384 HG21 THR 77 HG21 THR 77 9.471 2.228 2.409 1385 HG22 THR 77 HG22 THR 77 11.218 2.362 2.722 1386 HG23 THR 77 HG23 THR 77 10.128 1.766 3.997 1387 H MET 78 H MET 78 12.629 5.796 3.470 1388 HA MET 78 HA MET 78 14.636 4.023 2.555 1389 HB2 MET 78 HB1 MET 78 14.215 6.127 1.489 1390 HB3 MET 78 HB2 MET 78 14.566 7.021 2.988 1391 HG2 MET 78 HG1 MET 78 16.850 6.693 2.809 1392 HG3 MET 78 HG2 MET 78 16.671 5.303 1.724 1393 HE1 MET 78 HE1 MET 78 15.492 9.453 0.015 1394 HE2 MET 78 HE2 MET 78 14.411 8.306 0.832 1395 HE3 MET 78 HE3 MET 78 15.641 9.192 1.765 1396 H LEU 79 H LEU 79 14.587 6.067 5.567 1397 HA LEU 79 HA LEU 79 17.082 4.913 6.432 1398 HB2 LEU 79 HB1 LEU 79 14.969 6.606 7.687 1399 HB3 LEU 79 HB2 LEU 79 16.147 5.773 8.731 1400 HG LEU 79 HG LEU 79 17.051 7.857 8.468 1401 HD11 LEU 79 HD11 LEU 79 19.084 7.714 7.065 1402 HD12 LEU 79 HD12 LEU 79 18.774 6.202 7.940 1403 HD13 LEU 79 HD13 LEU 79 18.380 6.327 6.208 1404 HD21 LEU 79 HD21 LEU 79 17.184 9.174 6.390 1405 HD22 LEU 79 HD22 LEU 79 16.395 7.850 5.511 1406 HD23 LEU 79 HD23 LEU 79 15.513 8.725 6.785 1407 H CYS 80 H CYS 80 13.649 3.961 6.990 1408 HA CYS 80 HA CYS 80 14.090 2.013 8.967 1409 HB2 CYS 80 HB1 CYS 80 11.892 2.844 8.155 1410 HB3 CYS 80 HB2 CYS 80 12.129 1.939 6.638 1411 HG CYS 80 HG CYS 80 10.427 0.679 8.169 1412 H MET 81 H MET 81 14.257 1.568 5.379 1413 HA MET 81 HA MET 81 15.265 -1.135 5.676 1414 HB2 MET 81 HB1 MET 81 13.766 0.066 3.793 1415 HB3 MET 81 HB2 MET 81 15.367 0.203 3.027 1416 HG2 MET 81 HG1 MET 81 15.682 -2.280 3.628 1417 HG3 MET 81 HG2 MET 81 13.946 -2.308 3.978 1418 HE1 MET 81 HE1 MET 81 16.026 -1.781 -0.062 1419 HE2 MET 81 HE2 MET 81 16.239 -0.636 1.289 1420 HE3 MET 81 HE3 MET 81 16.766 -2.326 1.465 1421 H ALA 82 H ALA 82 16.873 1.508 6.451 1422 HA ALA 82 HA ALA 82 19.465 0.517 5.402 1423 HB1 ALA 82 HB1 ALA 82 20.317 2.783 5.910 1424 HB2 ALA 82 HB2 ALA 82 18.924 2.846 4.803 1425 HB3 ALA 82 HB3 ALA 82 18.713 3.247 6.525 1426 H TYR 83 H TYR 83 17.581 0.171 8.154 1427 HA TYR 83 HA TYR 83 19.867 -0.916 9.531 1428 HB2 TYR 83 HB1 TYR 83 19.494 0.313 11.677 1429 HB3 TYR 83 HB2 TYR 83 20.203 1.255 10.355 1430 HD1 TYR 83 HD1 TYR 83 16.877 0.560 11.989 1431 HD2 TYR 83 HD2 TYR 83 19.392 3.380 9.918 1432 HE1 TYR 83 HE1 TYR 83 15.120 2.302 12.236 1433 HE2 TYR 83 HE2 TYR 83 17.706 5.166 10.295 1434 HH TYR 83 HH TYR 83 15.565 5.636 10.983 1435 H ASN 84 H ASN 84 16.452 -0.993 9.044 1436 HA ASN 84 HA ASN 84 15.915 -2.609 11.385 1437 HB2 ASN 84 HB1 ASN 84 14.254 -1.762 9.047 1438 HB3 ASN 84 HB2 ASN 84 13.706 -3.079 10.105 1439 HD21 ASN 84 HD21 ASN 84 11.885 -1.742 10.696 1440 HD22 ASN 84 HD22 ASN 84 12.075 -0.476 11.898 1441 H ASP 85 H ASP 85 18.119 -3.634 9.882 1442 HA ASP 85 HA ASP 85 17.351 -6.074 8.610 1443 HB2 ASP 85 HB1 ASP 85 19.960 -5.258 9.925 1444 HB3 ASP 85 HB2 ASP 85 19.734 -6.646 8.841 1445 H PHE 86 H PHE 86 17.342 -5.206 11.967 1446 HA PHE 86 HA PHE 86 17.191 -7.666 13.249 1447 HB2 PHE 86 HB1 PHE 86 15.320 -5.273 13.455 1448 HB3 PHE 86 HB2 PHE 86 15.467 -6.562 14.663 1449 HD1 PHE 86 HD2 PHE 86 17.508 -6.757 16.060 1450 HD2 PHE 86 HD1 PHE 86 16.948 -3.489 13.309 1451 HE1 PHE 86 HE2 PHE 86 19.294 -5.474 17.217 1452 HE2 PHE 86 HE1 PHE 86 18.761 -2.225 14.444 1453 HZ PHE 86 HZ PHE 86 19.926 -3.211 16.406 1454 H PHE 87 H PHE 87 15.119 -6.542 10.667 1455 HA PHE 87 HA PHE 87 13.156 -8.713 11.091 1456 HB2 PHE 87 HB1 PHE 87 13.187 -6.271 9.282 1457 HB3 PHE 87 HB2 PHE 87 11.903 -7.493 9.286 1458 HD1 PHE 87 HD2 PHE 87 13.599 -4.953 11.480 1459 HD2 PHE 87 HD1 PHE 87 10.075 -7.313 10.744 1460 HE1 PHE 87 HE2 PHE 87 12.382 -3.672 13.219 1461 HE2 PHE 87 HE1 PHE 87 8.858 -6.028 12.487 1462 HZ PHE 87 HZ PHE 87 10.010 -4.208 13.726 1463 H LEU 88 H LEU 88 16.111 -8.526 9.599 1464 HA LEU 88 HA LEU 88 15.297 -9.988 7.156 1465 HB2 LEU 88 HB1 LEU 88 16.963 -7.793 7.496 1466 HB3 LEU 88 HB2 LEU 88 18.094 -9.150 7.280 1467 HG LEU 88 HG LEU 88 15.746 -8.541 5.467 1468 HD11 LEU 88 HD11 LEU 88 17.387 -7.687 3.830 1469 HD12 LEU 88 HD12 LEU 88 17.415 -6.749 5.339 1470 HD13 LEU 88 HD13 LEU 88 18.689 -7.949 5.012 1471 HD21 LEU 88 HD21 LEU 88 16.790 -10.091 3.844 1472 HD22 LEU 88 HD22 LEU 88 18.080 -10.431 5.013 1473 HD23 LEU 88 HD23 LEU 88 16.403 -10.905 5.373 1474 H GLU 89 H GLU 89 18.283 -10.938 7.102 1475 HA GLU 89 HA GLU 89 17.911 -13.432 8.614 1476 HB2 GLU 89 HB1 GLU 89 16.386 -13.209 6.414 1477 HB3 GLU 89 HB2 GLU 89 17.910 -13.649 5.607 1478 HG2 GLU 89 HG1 GLU 89 16.998 -15.746 5.915 1479 HG3 GLU 89 HG2 GLU 89 17.911 -15.589 7.432 1480 H ASP 90 H ASP 90 19.434 -11.950 5.771 1481 HA ASP 90 HA ASP 90 21.497 -11.709 4.982 1482 HB2 ASP 90 HB1 ASP 90 22.350 -11.569 7.311 1483 HB3 ASP 90 HB2 ASP 90 22.648 -13.320 7.256 1484 H ASN 91 H ASN 91 22.199 -12.616 3.235 1485 HA ASN 91 HA ASN 91 23.236 -15.187 2.954 1486 HB2 ASN 91 HB1 ASN 91 20.452 -15.390 2.973 1487 HB3 ASN 91 HB2 ASN 91 20.850 -15.370 1.241 1488 HD21 ASN 91 HD21 ASN 91 21.480 -16.976 4.339 1489 HD22 ASN 91 HD22 ASN 91 22.133 -18.457 3.666 1490 H LYS 92 H LYS 92 21.311 -12.880 1.141 1491 HA LYS 92 HA LYS 92 23.099 -12.503 -1.141 1492 HB2 LYS 92 HB1 LYS 92 20.251 -13.557 -1.443 1493 HB3 LYS 92 HB2 LYS 92 21.372 -13.125 -2.757 1494 HG2 LYS 92 HG1 LYS 92 21.631 -15.486 -0.866 1495 HG3 LYS 92 HG2 LYS 92 21.167 -15.540 -2.583 1496 HD2 LYS 92 HD1 LYS 92 23.327 -14.814 -3.287 1497 HD3 LYS 92 HD2 LYS 92 23.795 -14.372 -1.627 1498 HE2 LYS 92 HE1 LYS 92 23.211 -17.219 -2.514 1499 HE3 LYS 92 HE2 LYS 92 24.836 -16.501 -2.502 1500 HZ1 LYS 92 HZ1 LYS 92 24.395 -17.735 -0.501 1501 HZ2 LYS 92 HZ2 LYS 92 24.588 -16.137 -0.148 1502 HZ3 LYS 92 HZ3 LYS 92 23.080 -16.802 -0.159 Start of MODEL 10 1 HA MET 1 HA MET 1 11.707 2.506 22.423 2 HB2 MET 1 HB1 MET 1 10.954 4.345 20.153 3 HB3 MET 1 HB2 MET 1 12.143 4.601 21.453 4 HG2 MET 1 HG1 MET 1 12.361 2.759 19.065 5 HG3 MET 1 HG2 MET 1 13.330 4.200 19.420 6 HE1 MET 1 HE1 MET 1 15.983 3.120 21.911 7 HE2 MET 1 HE2 MET 1 15.566 4.185 20.552 8 HE3 MET 1 HE3 MET 1 14.599 4.228 22.047 9 H GLU 2 H GLU 2 8.693 2.800 20.689 10 HA GLU 2 HA GLU 2 6.605 2.860 21.424 11 HB2 GLU 2 HB1 GLU 2 7.356 3.762 24.180 12 HB3 GLU 2 HB2 GLU 2 5.838 3.026 23.615 13 HG2 GLU 2 HG1 GLU 2 8.550 1.755 24.010 14 HG3 GLU 2 HG2 GLU 2 6.965 1.222 24.609 15 H THR 3 H THR 3 8.319 4.753 20.295 16 HA THR 3 HA THR 3 7.077 7.365 20.538 17 HB THR 3 HB THR 3 8.461 7.890 18.556 18 HG1 THR 3 HG1 THR 3 9.994 6.312 17.915 19 HG21 THR 3 HG21 THR 3 10.639 7.674 19.720 20 HG22 THR 3 HG22 THR 3 9.350 8.151 20.847 21 HG23 THR 3 HG23 THR 3 9.927 6.468 20.815 22 HA PRO 4 HA PRO 4 3.579 6.507 18.406 23 HB2 PRO 4 HB1 PRO 4 2.879 8.774 16.979 24 HB3 PRO 4 HB2 PRO 4 2.845 8.642 18.769 25 HG2 PRO 4 HG1 PRO 4 5.046 9.789 17.040 26 HG3 PRO 4 HG2 PRO 4 4.305 10.517 18.502 27 HD2 PRO 4 HD1 PRO 4 6.650 9.158 18.649 28 HD3 PRO 4 HD2 PRO 4 5.409 8.945 19.921 29 H LEU 5 H LEU 5 5.821 7.998 15.965 30 HA LEU 5 HA LEU 5 4.363 6.659 13.832 31 HB2 LEU 5 HB1 LEU 5 5.555 8.980 13.802 32 HB3 LEU 5 HB2 LEU 5 7.008 8.021 13.429 33 HG LEU 5 HG LEU 5 5.389 6.878 11.659 34 HD11 LEU 5 HD11 LEU 5 3.771 8.467 10.690 35 HD12 LEU 5 HD12 LEU 5 3.371 8.079 12.379 36 HD13 LEU 5 HD13 LEU 5 4.142 9.634 11.981 37 HD21 LEU 5 HD21 LEU 5 6.177 8.449 9.944 38 HD22 LEU 5 HD22 LEU 5 6.607 9.618 11.213 39 HD23 LEU 5 HD23 LEU 5 7.460 8.058 11.112 40 H GLU 6 H GLU 6 7.365 5.957 15.651 41 HA GLU 6 HA GLU 6 8.281 3.730 14.242 42 HB2 GLU 6 HB1 GLU 6 9.235 4.349 16.352 43 HB3 GLU 6 HB2 GLU 6 7.687 4.089 17.189 44 HG2 GLU 6 HG1 GLU 6 7.996 1.607 16.461 45 HG3 GLU 6 HG2 GLU 6 9.695 2.067 16.226 46 H LYS 7 H LYS 7 5.175 3.962 16.231 47 HA LYS 7 HA LYS 7 4.797 1.118 15.833 48 HB2 LYS 7 HB1 LYS 7 2.623 3.011 16.663 49 HB3 LYS 7 HB2 LYS 7 2.795 1.274 17.013 50 HG2 LYS 7 HG1 LYS 7 4.077 3.639 18.307 51 HG3 LYS 7 HG2 LYS 7 3.237 2.249 19.033 52 HD2 LYS 7 HD1 LYS 7 6.030 2.174 17.878 53 HD3 LYS 7 HD2 LYS 7 5.637 2.403 19.599 54 HE2 LYS 7 HE1 LYS 7 4.473 0.142 19.502 55 HE3 LYS 7 HE2 LYS 7 5.214 -0.069 17.901 56 HZ1 LYS 7 HZ1 LYS 7 6.543 -1.053 19.633 57 HZ2 LYS 7 HZ2 LYS 7 7.364 0.194 18.932 58 HZ3 LYS 7 HZ3 LYS 7 6.675 0.391 20.417 59 H ALA 8 H ALA 8 4.003 3.934 13.924 60 HA ALA 8 HA ALA 8 2.234 2.592 12.085 61 HB1 ALA 8 HB1 ALA 8 2.639 4.566 10.666 62 HB2 ALA 8 HB2 ALA 8 2.265 5.035 12.342 63 HB3 ALA 8 HB3 ALA 8 3.945 5.086 11.758 64 H LEU 9 H LEU 9 5.783 3.440 11.831 65 HA LEU 9 HA LEU 9 6.190 1.999 9.428 66 HB2 LEU 9 HB1 LEU 9 7.942 3.110 11.576 67 HB3 LEU 9 HB2 LEU 9 8.650 1.946 10.431 68 HG LEU 9 HG LEU 9 9.097 4.265 9.810 69 HD11 LEU 9 HD11 LEU 9 8.430 4.150 7.431 70 HD12 LEU 9 HD12 LEU 9 8.977 2.572 8.037 71 HD13 LEU 9 HD13 LEU 9 7.238 2.896 7.832 72 HD21 LEU 9 HD21 LEU 9 7.346 5.783 8.965 73 HD22 LEU 9 HD22 LEU 9 6.108 4.594 9.420 74 HD23 LEU 9 HD23 LEU 9 7.098 5.375 10.676 75 H THR 10 H THR 10 6.635 0.881 12.857 76 HA THR 10 HA THR 10 7.303 -1.784 12.378 77 HB THR 10 HB THR 10 5.542 -0.598 14.539 78 HG1 THR 10 HG1 THR 10 7.533 -0.848 15.666 79 HG21 THR 10 HG21 THR 10 6.060 -2.636 15.865 80 HG22 THR 10 HG22 THR 10 5.134 -3.042 14.406 81 HG23 THR 10 HG23 THR 10 6.889 -3.332 14.458 82 H THR 11 H THR 11 3.954 -0.367 12.393 83 HA THR 11 HA THR 11 2.666 -2.852 11.811 84 HB THR 11 HB THR 11 1.754 -0.015 11.244 85 HG1 THR 11 HG1 THR 11 0.649 -0.418 13.228 86 HG21 THR 11 HG21 THR 11 -0.532 -0.978 11.280 87 HG22 THR 11 HG22 THR 11 0.434 -1.674 9.961 88 HG23 THR 11 HG23 THR 11 0.162 -2.606 11.453 89 H MET 12 H MET 12 3.833 -0.218 9.640 90 HA MET 12 HA MET 12 2.976 -1.385 7.209 91 HB2 MET 12 HB1 MET 12 5.279 0.487 7.828 92 HB3 MET 12 HB2 MET 12 4.796 0.029 6.177 93 HG2 MET 12 HG1 MET 12 2.626 1.010 6.449 94 HG3 MET 12 HG2 MET 12 2.870 1.230 8.190 95 HE1 MET 12 HE1 MET 12 3.183 4.442 5.221 96 HE2 MET 12 HE2 MET 12 3.086 2.747 4.693 97 HE3 MET 12 HE3 MET 12 1.885 3.395 5.837 98 H VAL 13 H VAL 13 6.220 -1.726 8.858 99 HA VAL 13 HA VAL 13 7.124 -3.594 6.899 100 HB VAL 13 HB VAL 13 8.920 -4.243 8.349 101 HG11 VAL 13 HG11 VAL 13 10.072 -2.068 8.574 102 HG12 VAL 13 HG12 VAL 13 9.172 -2.186 7.047 103 HG13 VAL 13 HG13 VAL 13 8.513 -1.236 8.402 104 HG21 VAL 13 HG21 VAL 13 9.301 -3.284 10.585 105 HG22 VAL 13 HG22 VAL 13 7.711 -2.499 10.508 106 HG23 VAL 13 HG23 VAL 13 7.831 -4.276 10.529 107 H THR 14 H THR 14 5.233 -4.084 9.890 108 HA THR 14 HA THR 14 5.546 -6.901 10.060 109 HB THR 14 HB THR 14 3.226 -5.149 10.929 110 HG1 THR 14 HG1 THR 14 4.338 -5.444 12.926 111 HG21 THR 14 HG21 THR 14 2.659 -7.003 12.481 112 HG22 THR 14 HG22 THR 14 2.515 -7.524 10.789 113 HG23 THR 14 HG23 THR 14 3.936 -7.999 11.750 114 H THR 15 H THR 15 2.933 -4.977 8.437 115 HA THR 15 HA THR 15 1.689 -7.303 7.344 116 HB THR 15 HB THR 15 0.451 -5.794 5.863 117 HG1 THR 15 HG1 THR 15 0.824 -3.551 6.108 118 HG21 THR 15 HG21 THR 15 -0.708 -4.513 7.634 119 HG22 THR 15 HG22 THR 15 -0.335 -6.166 8.169 120 HG23 THR 15 HG23 THR 15 0.661 -4.802 8.731 121 H PHE 16 H PHE 16 4.181 -5.089 5.934 122 HA PHE 16 HA PHE 16 3.966 -6.330 3.333 123 HB2 PHE 16 HB1 PHE 16 4.664 -4.021 3.700 124 HB3 PHE 16 HB2 PHE 16 6.072 -4.569 4.625 125 HD1 PHE 16 HD2 PHE 16 7.911 -5.834 3.436 126 HD2 PHE 16 HD1 PHE 16 4.775 -3.763 1.334 127 HE1 PHE 16 HE2 PHE 16 9.294 -5.828 1.380 128 HE2 PHE 16 HE1 PHE 16 6.223 -3.635 -0.688 129 HZ PHE 16 HZ PHE 16 8.469 -4.702 -0.676 130 H HIS 17 H HIS 17 6.164 -6.908 6.149 131 HA HIS 17 HA HIS 17 7.715 -8.926 4.870 132 HB2 HIS 17 HB1 HIS 17 6.972 -8.460 7.765 133 HB3 HIS 17 HB2 HIS 17 8.090 -9.730 7.236 134 HD1 HIS 17 HD1 HIS 17 9.339 -7.639 9.101 135 HD2 HIS 17 HD2 HIS 17 9.093 -7.168 4.935 136 HE1 HIS 17 HE1 HIS 17 11.068 -5.880 8.458 137 HE2 HIS 17 HE2 HIS 17 10.942 -5.572 5.920 138 H LYS 18 H LYS 18 4.470 -9.071 6.389 139 HA LYS 18 HA LYS 18 4.310 -11.896 6.588 140 HB2 LYS 18 HB1 LYS 18 2.963 -10.185 7.784 141 HB3 LYS 18 HB2 LYS 18 2.077 -9.875 6.271 142 HG2 LYS 18 HG1 LYS 18 2.080 -12.712 7.027 143 HG3 LYS 18 HG2 LYS 18 1.341 -11.663 8.259 144 HD2 LYS 18 HD1 LYS 18 -0.070 -10.627 6.473 145 HD3 LYS 18 HD2 LYS 18 0.617 -11.781 5.304 146 HE2 LYS 18 HE1 LYS 18 -0.349 -13.656 6.482 147 HE3 LYS 18 HE2 LYS 18 -0.859 -12.613 7.828 148 HZ1 LYS 18 HZ1 LYS 18 -2.658 -13.068 6.326 149 HZ2 LYS 18 HZ2 LYS 18 -2.299 -11.457 6.304 150 HZ3 LYS 18 HZ3 LYS 18 -1.825 -12.424 5.055 151 H TYR 19 H TYR 19 3.940 -9.900 3.714 152 HA TYR 19 HA TYR 19 3.006 -12.273 2.183 153 HB2 TYR 19 HB1 TYR 19 2.807 -9.311 1.576 154 HB3 TYR 19 HB2 TYR 19 2.389 -10.588 0.422 155 HD1 TYR 19 HD1 TYR 19 1.563 -9.299 3.805 156 HD2 TYR 19 HD2 TYR 19 0.088 -11.288 0.292 157 HE1 TYR 19 HE1 TYR 19 -0.711 -9.263 4.762 158 HE2 TYR 19 HE2 TYR 19 -2.221 -11.205 1.216 159 HH TYR 19 HH TYR 19 -3.508 -10.759 3.044 160 H SER 20 H SER 20 5.925 -11.186 3.003 161 HA SER 20 HA SER 20 7.080 -11.850 0.327 162 HB2 SER 20 HB1 SER 20 9.001 -10.329 0.932 163 HB3 SER 20 HB2 SER 20 7.463 -9.494 0.607 164 HG SER 20 HG SER 20 8.536 -8.689 2.473 165 H GLY 21 H GLY 21 7.866 -11.464 3.757 166 HA2 GLY 21 HA2 GLY 21 9.587 -13.389 3.413 167 H ARG 22 H ARG 22 6.929 -14.090 3.717 168 HA ARG 22 HA ARG 22 6.891 -16.627 4.860 169 HB2 ARG 22 HB1 ARG 22 5.197 -17.030 2.974 170 HB3 ARG 22 HB2 ARG 22 4.881 -15.714 4.130 171 HG2 ARG 22 HG1 ARG 22 5.474 -14.042 2.520 172 HG3 ARG 22 HG2 ARG 22 6.120 -15.262 1.396 173 HD2 ARG 22 HD1 ARG 22 3.190 -15.176 2.186 174 HD3 ARG 22 HD2 ARG 22 3.836 -14.249 0.815 175 HE ARG 22 HE ARG 22 4.644 -17.010 0.784 176 HH11 ARG 22 HH12 ARG 22 1.880 -15.042 -0.252 177 HH12 ARG 22 HH11 ARG 22 1.424 -16.208 -1.464 178 HH21 ARG 22 HH22 ARG 22 4.034 -18.386 -0.762 179 HH22 ARG 22 HH21 ARG 22 2.624 -18.065 -1.743 180 H GLU 23 H GLU 23 8.305 -15.629 1.699 181 HA GLU 23 HA GLU 23 9.818 -18.163 1.774 182 HB2 GLU 23 HB1 GLU 23 8.329 -17.083 -0.612 183 HB3 GLU 23 HB2 GLU 23 9.687 -18.226 -0.765 184 HG2 GLU 23 HG1 GLU 23 8.087 -19.806 -0.709 185 HG3 GLU 23 HG2 GLU 23 8.081 -19.519 1.044 186 H GLY 24 H GLY 24 10.397 -16.257 -1.080 187 HA2 GLY 24 HA2 GLY 24 12.652 -15.936 0.267 188 H SER 25 H SER 25 11.034 -13.791 -0.240 189 HA SER 25 HA SER 25 13.451 -12.050 -0.123 190 HB2 SER 25 HB1 SER 25 12.059 -11.647 -2.174 191 HB3 SER 25 HB2 SER 25 10.723 -11.159 -1.105 192 HG SER 25 HG SER 25 11.992 -9.369 -1.817 193 H LYS 26 H LYS 26 13.087 -10.049 1.167 194 HA LYS 26 HA LYS 26 10.843 -10.092 3.100 195 HB2 LYS 26 HB1 LYS 26 13.785 -9.683 3.735 196 HB3 LYS 26 HB2 LYS 26 12.474 -9.188 4.834 197 HG2 LYS 26 HG1 LYS 26 12.945 -11.216 5.736 198 HG3 LYS 26 HG2 LYS 26 11.747 -11.722 4.520 199 HD2 LYS 26 HD1 LYS 26 13.725 -12.257 2.989 200 HD3 LYS 26 HD2 LYS 26 14.765 -12.037 4.417 201 HE2 LYS 26 HE1 LYS 26 14.320 -14.351 4.413 202 HE3 LYS 26 HE2 LYS 26 13.162 -13.701 5.594 203 HZ1 LYS 26 HZ1 LYS 26 12.127 -15.267 4.103 204 HZ2 LYS 26 HZ2 LYS 26 11.480 -13.767 3.885 205 HZ3 LYS 26 HZ3 LYS 26 12.554 -14.370 2.788 206 H LEU 27 H LEU 27 12.837 -8.354 0.919 207 HA LEU 27 HA LEU 27 12.107 -5.632 1.830 208 HB2 LEU 27 HB1 LEU 27 14.032 -6.803 -0.218 209 HB3 LEU 27 HB2 LEU 27 13.777 -5.056 0.010 210 HG LEU 27 HG LEU 27 15.865 -5.908 0.924 211 HD11 LEU 27 HD11 LEU 27 15.764 -4.700 3.075 212 HD12 LEU 27 HD12 LEU 27 14.873 -3.853 1.795 213 HD13 LEU 27 HD13 LEU 27 13.992 -4.787 3.026 214 HD21 LEU 27 HD21 LEU 27 15.995 -7.163 3.043 215 HD22 LEU 27 HD22 LEU 27 14.233 -7.368 3.012 216 HD23 LEU 27 HD23 LEU 27 15.242 -8.113 1.749 217 H THR 28 H THR 28 11.402 -8.027 -0.588 218 HA THR 28 HA THR 28 9.757 -6.156 -2.183 219 HB THR 28 HB THR 28 10.465 -7.294 -4.256 220 HG1 THR 28 HG1 THR 28 12.334 -8.625 -4.110 221 HG21 THR 28 HG21 THR 28 12.736 -6.327 -4.468 222 HG22 THR 28 HG22 THR 28 11.632 -5.211 -3.639 223 HG23 THR 28 HG23 THR 28 12.819 -6.152 -2.703 224 H LEU 29 H LEU 29 8.227 -7.251 -3.622 225 HA LEU 29 HA LEU 29 7.576 -10.036 -3.439 226 HB2 LEU 29 HB1 LEU 29 5.480 -10.014 -2.382 227 HB3 LEU 29 HB2 LEU 29 6.603 -9.158 -1.297 228 HG LEU 29 HG LEU 29 4.480 -7.907 -3.066 229 HD11 LEU 29 HD11 LEU 29 3.427 -7.318 -0.895 230 HD12 LEU 29 HD12 LEU 29 3.622 -9.079 -1.060 231 HD13 LEU 29 HD13 LEU 29 4.743 -8.149 -0.034 232 HD21 LEU 29 HD21 LEU 29 5.038 -5.760 -1.967 233 HD22 LEU 29 HD22 LEU 29 6.374 -6.554 -1.106 234 HD23 LEU 29 HD23 LEU 29 6.422 -6.399 -2.879 235 H SER 30 H SER 30 5.303 -10.441 -4.726 236 HA SER 30 HA SER 30 5.912 -9.138 -7.247 237 HB2 SER 30 HB1 SER 30 5.011 -10.899 -8.282 238 HB3 SER 30 HB2 SER 30 5.103 -11.650 -6.672 239 HG SER 30 HG SER 30 3.045 -11.914 -7.660 240 H ARG 31 H ARG 31 4.303 -8.246 -8.805 241 HA ARG 31 HA ARG 31 2.842 -6.149 -7.604 242 HB2 ARG 31 HB1 ARG 31 1.769 -6.916 -10.203 243 HB3 ARG 31 HB2 ARG 31 2.366 -5.353 -9.599 244 HG2 ARG 31 HG1 ARG 31 4.318 -7.432 -10.488 245 HG3 ARG 31 HG2 ARG 31 3.412 -6.485 -11.692 246 HD2 ARG 31 HD1 ARG 31 5.054 -5.260 -9.468 247 HD3 ARG 31 HD2 ARG 31 5.676 -5.581 -11.101 248 HE ARG 31 HE ARG 31 3.423 -4.126 -11.602 249 HH11 ARG 31 HH12 ARG 31 6.271 -3.475 -9.631 250 HH12 ARG 31 HH11 ARG 31 6.073 -1.745 -9.725 251 HH21 ARG 31 HH22 ARG 31 3.175 -1.868 -11.621 252 HH22 ARG 31 HH21 ARG 31 4.353 -0.852 -10.830 253 H LYS 32 H LYS 32 1.681 -9.424 -8.591 254 HA LYS 32 HA LYS 32 -1.081 -8.950 -8.104 255 HB2 LYS 32 HB1 LYS 32 0.621 -11.437 -7.745 256 HB3 LYS 32 HB2 LYS 32 -1.150 -11.415 -7.565 257 HG2 LYS 32 HG1 LYS 32 0.416 -10.830 -10.086 258 HG3 LYS 32 HG2 LYS 32 -0.502 -12.311 -9.721 259 HD2 LYS 32 HD1 LYS 32 -2.527 -10.635 -9.465 260 HD3 LYS 32 HD2 LYS 32 -1.507 -9.575 -10.467 261 HE2 LYS 32 HE1 LYS 32 -1.184 -11.812 -11.885 262 HE3 LYS 32 HE2 LYS 32 -2.733 -12.244 -11.129 263 HZ1 LYS 32 HZ1 LYS 32 -3.043 -11.147 -13.226 264 HZ2 LYS 32 HZ2 LYS 32 -3.653 -10.219 -12.006 265 HZ3 LYS 32 HZ3 LYS 32 -2.215 -9.819 -12.708 266 H GLU 33 H GLU 33 1.505 -10.183 -5.944 267 HA GLU 33 HA GLU 33 -0.197 -10.762 -3.753 268 HB2 GLU 33 HB1 GLU 33 2.043 -11.743 -4.253 269 HB3 GLU 33 HB2 GLU 33 2.789 -10.194 -3.793 270 HG2 GLU 33 HG1 GLU 33 3.028 -11.412 -1.862 271 HG3 GLU 33 HG2 GLU 33 1.513 -10.535 -1.554 272 H LEU 34 H LEU 34 2.000 -7.888 -4.271 273 HA LEU 34 HA LEU 34 1.286 -6.585 -1.851 274 HB2 LEU 34 HB1 LEU 34 3.242 -5.983 -3.218 275 HB3 LEU 34 HB2 LEU 34 2.170 -5.402 -4.514 276 HG LEU 34 HG LEU 34 1.299 -3.651 -3.039 277 HD11 LEU 34 HD11 LEU 34 2.294 -3.189 -0.821 278 HD12 LEU 34 HD12 LEU 34 1.512 -4.784 -0.864 279 HD13 LEU 34 HD13 LEU 34 3.284 -4.658 -0.965 280 HD21 LEU 34 HD21 LEU 34 3.333 -2.258 -2.891 281 HD22 LEU 34 HD22 LEU 34 4.338 -3.712 -3.082 282 HD23 LEU 34 HD23 LEU 34 3.284 -3.176 -4.413 283 H LYS 35 H LYS 35 -0.079 -6.176 -5.163 284 HA LYS 35 HA LYS 35 -1.998 -4.221 -4.520 285 HB2 LYS 35 HB1 LYS 35 -1.277 -4.933 -6.772 286 HB3 LYS 35 HB2 LYS 35 -2.110 -6.490 -6.540 287 HG2 LYS 35 HG1 LYS 35 -3.830 -4.169 -6.008 288 HG3 LYS 35 HG2 LYS 35 -3.202 -4.206 -7.673 289 HD2 LYS 35 HD1 LYS 35 -4.441 -6.693 -6.448 290 HD3 LYS 35 HD2 LYS 35 -5.463 -5.431 -7.172 291 HE2 LYS 35 HE1 LYS 35 -4.311 -5.572 -9.273 292 HE3 LYS 35 HE2 LYS 35 -3.015 -6.564 -8.570 293 HZ1 LYS 35 HZ1 LYS 35 -4.513 -7.870 -9.894 294 HZ2 LYS 35 HZ2 LYS 35 -4.594 -8.336 -8.317 295 HZ3 LYS 35 HZ3 LYS 35 -5.798 -7.415 -8.969 296 H GLU 36 H GLU 36 -2.119 -7.751 -4.036 297 HA GLU 36 HA GLU 36 -4.915 -7.800 -3.338 298 HB2 GLU 36 HB1 GLU 36 -3.506 -9.701 -4.284 299 HB3 GLU 36 HB2 GLU 36 -2.796 -9.861 -2.660 300 HG2 GLU 36 HG1 GLU 36 -4.632 -11.425 -2.877 301 HG3 GLU 36 HG2 GLU 36 -5.082 -10.149 -1.725 302 H LEU 37 H LEU 37 -1.859 -7.826 -1.387 303 HA LEU 37 HA LEU 37 -2.913 -7.896 1.193 304 HB2 LEU 37 HB1 LEU 37 -0.622 -8.081 1.058 305 HB3 LEU 37 HB2 LEU 37 -0.472 -6.748 -0.111 306 HG LEU 37 HG LEU 37 -0.804 -5.129 1.678 307 HD11 LEU 37 HD11 LEU 37 -0.678 -5.719 4.074 308 HD12 LEU 37 HD12 LEU 37 -2.125 -6.395 3.303 309 HD13 LEU 37 HD13 LEU 37 -0.721 -7.438 3.640 310 HD21 LEU 37 HD21 LEU 37 1.396 -5.421 2.781 311 HD22 LEU 37 HD22 LEU 37 1.408 -7.128 2.286 312 HD23 LEU 37 HD23 LEU 37 1.469 -5.842 1.056 313 H ILE 38 H ILE 38 -2.643 -5.073 -0.975 314 HA ILE 38 HA ILE 38 -3.547 -3.130 0.922 315 HB ILE 38 HB ILE 38 -3.304 -3.151 -2.091 316 HG12 ILE 38 HG13 ILE 38 -1.652 -1.613 -0.061 317 HG13 ILE 38 HG12 ILE 38 -1.285 -3.309 -0.460 318 HG21 ILE 38 HG21 ILE 38 -3.519 -0.679 -2.044 319 HG22 ILE 38 HG22 ILE 38 -5.011 -1.469 -1.492 320 HG23 ILE 38 HG23 ILE 38 -3.892 -0.749 -0.308 321 HD11 ILE 38 HD11 ILE 38 0.106 -1.757 -1.794 322 HD12 ILE 38 HD12 ILE 38 -0.996 -2.688 -2.831 323 HD13 ILE 38 HD13 ILE 38 -1.366 -0.993 -2.432 324 H LYS 39 H LYS 39 -5.370 -5.411 -1.043 325 HA LYS 39 HA LYS 39 -7.814 -4.267 0.164 326 HB2 LYS 39 HB1 LYS 39 -7.251 -5.292 -2.494 327 HB3 LYS 39 HB2 LYS 39 -8.648 -6.117 -1.764 328 HG2 LYS 39 HG1 LYS 39 -9.668 -4.026 -1.138 329 HG3 LYS 39 HG2 LYS 39 -8.191 -3.119 -1.538 330 HD2 LYS 39 HD1 LYS 39 -9.673 -2.572 -3.218 331 HD3 LYS 39 HD2 LYS 39 -8.641 -3.825 -3.946 332 HE2 LYS 39 HE1 LYS 39 -10.321 -5.473 -3.776 333 HE3 LYS 39 HE2 LYS 39 -11.253 -4.529 -2.594 334 HZ1 LYS 39 HZ1 LYS 39 -12.248 -4.462 -4.769 335 HZ2 LYS 39 HZ2 LYS 39 -11.740 -2.954 -4.332 336 HZ3 LYS 39 HZ3 LYS 39 -10.876 -3.832 -5.430 337 H LYS 40 H LYS 40 -5.634 -6.539 1.089 338 HA LYS 40 HA LYS 40 -7.684 -8.206 2.421 339 HB2 LYS 40 HB1 LYS 40 -4.658 -8.269 2.515 340 HB3 LYS 40 HB2 LYS 40 -5.723 -9.346 3.451 341 HG2 LYS 40 HG1 LYS 40 -4.938 -9.413 0.596 342 HG3 LYS 40 HG2 LYS 40 -5.119 -10.728 1.783 343 HD2 LYS 40 HD1 LYS 40 -7.666 -10.283 1.542 344 HD3 LYS 40 HD2 LYS 40 -7.210 -9.433 0.046 345 HE2 LYS 40 HE1 LYS 40 -5.816 -11.565 -0.488 346 HE3 LYS 40 HE2 LYS 40 -6.787 -12.347 0.780 347 HZ1 LYS 40 HZ1 LYS 40 -7.739 -12.657 -1.387 348 HZ2 LYS 40 HZ2 LYS 40 -8.750 -11.757 -0.448 349 HZ3 LYS 40 HZ3 LYS 40 -7.850 -11.030 -1.625 350 H GLU 41 H GLU 41 -5.022 -5.945 3.241 351 HA GLU 41 HA GLU 41 -5.960 -5.886 6.049 352 HB2 GLU 41 HB1 GLU 41 -3.029 -5.904 5.268 353 HB3 GLU 41 HB2 GLU 41 -3.731 -6.042 6.899 354 HG2 GLU 41 HG1 GLU 41 -4.901 -8.142 6.091 355 HG3 GLU 41 HG2 GLU 41 -3.914 -8.034 4.617 356 H LEU 42 H LEU 42 -4.765 -3.626 3.375 357 HA LEU 42 HA LEU 42 -6.493 -1.921 5.057 358 HB2 LEU 42 HB1 LEU 42 -5.002 -1.704 2.578 359 HB3 LEU 42 HB2 LEU 42 -6.701 -1.240 2.322 360 HG LEU 42 HG LEU 42 -5.267 0.657 2.787 361 HD11 LEU 42 HD11 LEU 42 -6.636 1.739 4.534 362 HD12 LEU 42 HD12 LEU 42 -7.630 0.789 3.411 363 HD13 LEU 42 HD13 LEU 42 -7.249 0.147 5.027 364 HD21 LEU 42 HD21 LEU 42 -4.274 1.053 5.003 365 HD22 LEU 42 HD22 LEU 42 -4.798 -0.564 5.517 366 HD23 LEU 42 HD23 LEU 42 -3.592 -0.388 4.220 367 H CYS 43 H CYS 43 -8.748 -1.566 4.505 368 HA CYS 43 HA CYS 43 -10.131 -3.767 3.159 369 HB2 CYS 43 HB1 CYS 43 -11.101 -2.793 5.178 370 HB3 CYS 43 HB2 CYS 43 -11.184 -1.196 4.391 371 HG CYS 43 HG CYS 43 -13.569 -2.278 4.461 372 H LEU 44 H LEU 44 -10.742 -0.343 2.677 373 HA LEU 44 HA LEU 44 -10.777 1.011 0.993 374 HB2 LEU 44 HB1 LEU 44 -8.283 0.018 1.052 375 HB3 LEU 44 HB2 LEU 44 -8.703 -0.275 -0.652 376 HG LEU 44 HG LEU 44 -9.663 2.149 -0.606 377 HD11 LEU 44 HD11 LEU 44 -8.588 3.656 1.033 378 HD12 LEU 44 HD12 LEU 44 -9.600 2.435 1.843 379 HD13 LEU 44 HD13 LEU 44 -7.829 2.255 1.826 380 HD21 LEU 44 HD21 LEU 44 -7.440 3.047 -1.173 381 HD22 LEU 44 HD22 LEU 44 -6.670 1.634 -0.410 382 HD23 LEU 44 HD23 LEU 44 -7.677 1.422 -1.862 383 H GLY 45 H GLY 45 -11.951 -2.104 0.128 384 HA2 GLY 45 HA2 GLY 45 -13.202 -0.289 -1.343 385 H GLU 46 H GLU 46 -16.116 -0.727 -0.374 386 HA GLU 46 HA GLU 46 -17.503 0.631 0.703 387 HB2 GLU 46 HB1 GLU 46 -17.081 1.039 3.090 388 HB3 GLU 46 HB2 GLU 46 -16.766 -0.636 2.578 389 HG2 GLU 46 HG1 GLU 46 -14.396 -0.293 2.667 390 HG3 GLU 46 HG2 GLU 46 -14.605 1.451 2.937 391 H MET 47 H MET 47 -15.436 2.134 -0.990 392 HA MET 47 HA MET 47 -15.837 4.844 -0.122 393 HB2 MET 47 HB1 MET 47 -14.003 3.625 1.407 394 HB3 MET 47 HB2 MET 47 -12.948 4.049 0.039 395 HG2 MET 47 HG1 MET 47 -14.445 6.335 0.353 396 HG3 MET 47 HG2 MET 47 -14.283 5.777 2.027 397 HE1 MET 47 HE1 MET 47 -10.361 5.542 2.350 398 HE2 MET 47 HE2 MET 47 -11.923 5.194 3.131 399 HE3 MET 47 HE3 MET 47 -11.429 4.279 1.687 400 H LYS 48 H LYS 48 -13.270 5.772 -1.278 401 HA LYS 48 HA LYS 48 -14.172 5.867 -4.032 402 HB2 LYS 48 HB1 LYS 48 -12.201 7.355 -2.342 403 HB3 LYS 48 HB2 LYS 48 -12.089 7.470 -4.115 404 HG2 LYS 48 HG1 LYS 48 -14.084 8.588 -4.308 405 HG3 LYS 48 HG2 LYS 48 -14.844 7.664 -2.989 406 HD2 LYS 48 HD1 LYS 48 -14.775 9.821 -2.146 407 HD3 LYS 48 HD2 LYS 48 -13.331 9.063 -1.432 408 HE2 LYS 48 HE1 LYS 48 -11.926 10.129 -3.173 409 HE3 LYS 48 HE2 LYS 48 -13.372 10.904 -3.855 410 HZ1 LYS 48 HZ1 LYS 48 -12.179 12.375 -2.398 411 HZ2 LYS 48 HZ2 LYS 48 -13.668 12.044 -1.771 412 HZ3 LYS 48 HZ3 LYS 48 -12.326 11.323 -1.137 413 H GLU 49 H GLU 49 -13.854 3.500 -4.307 414 HA GLU 49 HA GLU 49 -11.264 2.445 -4.952 415 HB2 GLU 49 HB1 GLU 49 -14.112 1.657 -5.652 416 HB3 GLU 49 HB2 GLU 49 -12.709 0.770 -6.294 417 HG2 GLU 49 HG1 GLU 49 -11.941 0.369 -3.961 418 HG3 GLU 49 HG2 GLU 49 -13.408 1.176 -3.364 419 H SER 50 H SER 50 -13.587 4.408 -6.839 420 HA SER 50 HA SER 50 -12.525 3.768 -9.403 421 HB2 SER 50 HB1 SER 50 -13.810 6.385 -8.573 422 HB3 SER 50 HB2 SER 50 -13.726 5.684 -10.207 423 HG SER 50 HG SER 50 -15.764 5.337 -9.194 424 H SER 51 H SER 51 -11.015 4.726 -10.698 425 HA SER 51 HA SER 51 -9.119 5.759 -11.348 426 HB2 SER 51 HB1 SER 51 -9.156 7.488 -8.857 427 HB3 SER 51 HB2 SER 51 -8.242 7.761 -10.360 428 HG SER 51 HG SER 51 -10.140 9.048 -10.227 429 H ILE 52 H ILE 52 -9.142 4.992 -7.785 430 HA ILE 52 HA ILE 52 -6.328 4.445 -7.856 431 HB ILE 52 HB ILE 52 -6.431 3.593 -5.663 432 HG12 ILE 52 HG13 ILE 52 -8.556 3.769 -4.300 433 HG13 ILE 52 HG12 ILE 52 -9.436 3.666 -5.845 434 HG21 ILE 52 HG21 ILE 52 -7.272 5.647 -4.545 435 HG22 ILE 52 HG22 ILE 52 -6.420 6.027 -6.056 436 HG23 ILE 52 HG23 ILE 52 -8.199 6.051 -6.005 437 HD11 ILE 52 HD11 ILE 52 -9.316 1.452 -4.738 438 HD12 ILE 52 HD12 ILE 52 -8.426 1.458 -6.273 439 HD13 ILE 52 HD13 ILE 52 -7.546 1.561 -4.730 440 H ASP 53 H ASP 53 -9.052 2.473 -8.806 441 HA ASP 53 HA ASP 53 -7.596 0.014 -8.785 442 HB2 ASP 53 HB1 ASP 53 -10.092 0.220 -8.976 443 HB3 ASP 53 HB2 ASP 53 -9.855 0.700 -10.671 444 H ASP 54 H ASP 54 -7.482 2.733 -11.231 445 HA ASP 54 HA ASP 54 -6.021 1.048 -13.035 446 HB2 ASP 54 HB1 ASP 54 -6.709 3.220 -13.922 447 HB3 ASP 54 HB2 ASP 54 -5.608 4.043 -12.795 448 H LEU 55 H LEU 55 -5.024 2.931 -10.164 449 HA LEU 55 HA LEU 55 -2.223 2.481 -10.469 450 HB2 LEU 55 HB1 LEU 55 -3.784 2.832 -7.896 451 HB3 LEU 55 HB2 LEU 55 -2.036 3.074 -8.132 452 HG LEU 55 HG LEU 55 -4.200 4.680 -9.529 453 HD11 LEU 55 HD11 LEU 55 -3.639 6.498 -7.950 454 HD12 LEU 55 HD12 LEU 55 -4.253 5.062 -7.098 455 HD13 LEU 55 HD13 LEU 55 -2.508 5.414 -7.109 456 HD21 LEU 55 HD21 LEU 55 -2.369 6.241 -10.100 457 HD22 LEU 55 HD22 LEU 55 -1.204 5.161 -9.302 458 HD23 LEU 55 HD23 LEU 55 -2.069 4.618 -10.760 459 H MET 56 H MET 56 -4.754 0.566 -8.727 460 HA MET 56 HA MET 56 -3.101 -1.635 -8.040 461 HB2 MET 56 HB1 MET 56 -6.078 -1.505 -8.649 462 HB3 MET 56 HB2 MET 56 -5.253 -2.883 -7.882 463 HG2 MET 56 HG1 MET 56 -4.461 -1.282 -6.093 464 HG3 MET 56 HG2 MET 56 -5.527 -0.059 -6.807 465 HE1 MET 56 HE1 MET 56 -6.649 -3.687 -4.245 466 HE2 MET 56 HE2 MET 56 -5.635 -3.858 -5.699 467 HE3 MET 56 HE3 MET 56 -5.078 -2.854 -4.339 468 H LYS 57 H LYS 57 -4.787 -0.894 -11.081 469 HA LYS 57 HA LYS 57 -4.250 -3.427 -12.335 470 HB2 LYS 57 HB1 LYS 57 -5.305 -0.739 -13.201 471 HB3 LYS 57 HB2 LYS 57 -4.813 -1.925 -14.434 472 HG2 LYS 57 HG1 LYS 57 -6.743 -2.649 -12.202 473 HG3 LYS 57 HG2 LYS 57 -7.295 -1.936 -13.737 474 HD2 LYS 57 HD1 LYS 57 -6.350 -3.724 -15.024 475 HD3 LYS 57 HD2 LYS 57 -5.405 -4.318 -13.636 476 HE2 LYS 57 HE1 LYS 57 -7.615 -4.786 -12.469 477 HE3 LYS 57 HE2 LYS 57 -8.422 -4.430 -14.013 478 HZ1 LYS 57 HZ1 LYS 57 -8.026 -6.772 -13.736 479 HZ2 LYS 57 HZ2 LYS 57 -7.153 -6.198 -15.011 480 HZ3 LYS 57 HZ3 LYS 57 -6.403 -6.529 -13.579 481 H SER 58 H SER 58 -2.646 -0.377 -12.205 482 HA SER 58 HA SER 58 -0.530 -0.878 -14.071 483 HB2 SER 58 HB1 SER 58 -1.045 1.249 -11.995 484 HB3 SER 58 HB2 SER 58 0.460 1.185 -12.942 485 HG SER 58 HG SER 58 -1.182 2.449 -13.966 486 H LEU 59 H LEU 59 -0.954 -1.667 -10.610 487 HA LEU 59 HA LEU 59 1.632 -2.988 -10.554 488 HB2 LEU 59 HB1 LEU 59 -0.835 -3.598 -8.907 489 HB3 LEU 59 HB2 LEU 59 0.843 -4.078 -8.558 490 HG LEU 59 HG LEU 59 -0.439 -1.354 -8.335 491 HD11 LEU 59 HD11 LEU 59 0.439 -1.475 -6.021 492 HD12 LEU 59 HD12 LEU 59 -0.589 -2.874 -6.399 493 HD13 LEU 59 HD13 LEU 59 1.182 -3.048 -6.389 494 HD21 LEU 59 HD21 LEU 59 1.758 -0.349 -7.815 495 HD22 LEU 59 HD22 LEU 59 2.549 -1.885 -8.219 496 HD23 LEU 59 HD23 LEU 59 1.696 -0.962 -9.480 497 H ASP 60 H ASP 60 -1.716 -4.194 -11.064 498 HA ASP 60 HA ASP 60 -1.197 -6.832 -11.844 499 HB2 ASP 60 HB1 ASP 60 -3.353 -5.391 -11.307 500 HB3 ASP 60 HB2 ASP 60 -3.411 -5.201 -13.073 501 H LYS 61 H LYS 61 -0.098 -4.176 -13.670 502 HA LYS 61 HA LYS 61 -1.258 -4.671 -16.246 503 HB2 LYS 61 HB1 LYS 61 -0.093 -2.586 -15.003 504 HB3 LYS 61 HB2 LYS 61 1.294 -3.155 -15.962 505 HG2 LYS 61 HG1 LYS 61 0.261 -1.328 -17.077 506 HG3 LYS 61 HG2 LYS 61 -0.000 -2.818 -18.014 507 HD2 LYS 61 HD1 LYS 61 -1.910 -1.447 -18.224 508 HD3 LYS 61 HD2 LYS 61 -2.330 -2.867 -17.237 509 HE2 LYS 61 HE1 LYS 61 -3.529 -1.279 -16.167 510 HE3 LYS 61 HE2 LYS 61 -2.015 -1.188 -15.242 511 HZ1 LYS 61 HZ1 LYS 61 -2.901 0.982 -15.711 512 HZ2 LYS 61 HZ2 LYS 61 -1.457 0.775 -16.469 513 HZ3 LYS 61 HZ3 LYS 61 -2.862 0.690 -17.328 514 H ASN 62 H ASN 62 1.837 -5.514 -14.750 515 HA ASN 62 HA ASN 62 2.256 -7.645 -16.783 516 HB2 ASN 62 HB1 ASN 62 4.355 -5.874 -15.479 517 HB3 ASN 62 HB2 ASN 62 4.678 -7.212 -16.603 518 HD21 ASN 62 HD21 ASN 62 3.500 -7.049 -18.766 519 HD22 ASN 62 HD22 ASN 62 3.324 -5.456 -19.479 520 H SER 63 H SER 63 2.121 -6.796 -13.425 521 HA SER 63 HA SER 63 1.166 -8.021 -11.892 522 HB2 SER 63 HB1 SER 63 1.098 -10.055 -14.086 523 HB3 SER 63 HB2 SER 63 0.663 -10.546 -12.433 524 HG SER 63 HG SER 63 -1.148 -9.833 -13.655 525 H ASP 64 H ASP 64 3.999 -9.958 -13.133 526 HA ASP 64 HA ASP 64 4.389 -10.721 -10.305 527 HB2 ASP 64 HB1 ASP 64 3.875 -12.696 -12.508 528 HB3 ASP 64 HB2 ASP 64 4.728 -13.138 -11.013 529 H GLN 65 H GLN 65 5.625 -9.021 -12.383 530 HA GLN 65 HA GLN 65 8.395 -9.424 -11.665 531 HB2 GLN 65 HB1 GLN 65 7.642 -6.660 -11.720 532 HB3 GLN 65 HB2 GLN 65 8.597 -7.573 -12.913 533 HG2 GLN 65 HG1 GLN 65 6.668 -8.011 -14.251 534 HG3 GLN 65 HG2 GLN 65 5.568 -7.432 -12.980 535 HE21 GLN 65 HE12 GLN 65 7.922 -6.359 -15.481 536 HE22 GLN 65 HE22 GLN 65 7.375 -4.699 -15.484 537 H GLU 66 H GLU 66 9.427 -7.940 -10.024 538 HA GLU 66 HA GLU 66 7.875 -8.012 -7.547 539 HB2 GLU 66 HB1 GLU 66 10.801 -7.566 -8.172 540 HB3 GLU 66 HB2 GLU 66 10.128 -7.411 -6.531 541 HG2 GLU 66 HG1 GLU 66 9.374 -9.730 -6.572 542 HG3 GLU 66 HG2 GLU 66 9.874 -9.901 -8.268 543 H ILE 67 H ILE 67 7.928 -6.425 -6.024 544 HA ILE 67 HA ILE 67 8.232 -3.566 -6.748 545 HB ILE 67 HB ILE 67 6.011 -4.677 -4.973 546 HG12 ILE 67 HG13 ILE 67 6.035 -4.056 -7.927 547 HG13 ILE 67 HG12 ILE 67 5.470 -5.528 -7.102 548 HG21 ILE 67 HG21 ILE 67 5.098 -2.395 -5.245 549 HG22 ILE 67 HG22 ILE 67 6.738 -2.351 -4.553 550 HG23 ILE 67 HG23 ILE 67 6.486 -1.957 -6.270 551 HD11 ILE 67 HD11 ILE 67 3.569 -4.238 -8.019 552 HD12 ILE 67 HD12 ILE 67 3.518 -4.304 -6.247 553 HD13 ILE 67 HD13 ILE 67 4.082 -2.830 -7.070 554 H ASP 68 H ASP 68 9.023 -2.282 -5.043 555 HA ASP 68 HA ASP 68 10.037 -3.678 -2.638 556 HB2 ASP 68 HB1 ASP 68 11.840 -2.248 -2.616 557 HB3 ASP 68 HB2 ASP 68 11.530 -2.414 -4.358 558 H PHE 69 H PHE 69 10.460 -1.957 -0.761 559 HA PHE 69 HA PHE 69 7.921 -1.341 0.345 560 HB2 PHE 69 HB1 PHE 69 10.383 -1.767 1.319 561 HB3 PHE 69 HB2 PHE 69 10.392 0.003 1.359 562 HD1 PHE 69 HD1 PHE 69 8.579 1.215 2.732 563 HD2 PHE 69 HD2 PHE 69 9.213 -3.038 2.914 564 HE1 PHE 69 HE1 PHE 69 7.359 1.130 4.892 565 HE2 PHE 69 HE2 PHE 69 7.977 -3.124 5.064 566 HZ PHE 69 HZ PHE 69 7.077 -1.041 6.072 567 H LYS 70 H LYS 70 9.606 0.482 -2.018 568 HA LYS 70 HA LYS 70 8.964 3.137 -0.881 569 HB2 LYS 70 HB1 LYS 70 11.193 2.107 -1.964 570 HB3 LYS 70 HB2 LYS 70 10.424 2.728 -3.445 571 HG2 LYS 70 HG1 LYS 70 10.454 4.986 -2.581 572 HG3 LYS 70 HG2 LYS 70 11.026 4.420 -0.993 573 HD2 LYS 70 HD1 LYS 70 13.059 3.484 -2.011 574 HD3 LYS 70 HD2 LYS 70 12.469 3.896 -3.638 575 HE2 LYS 70 HE1 LYS 70 13.980 5.608 -3.156 576 HE3 LYS 70 HE2 LYS 70 12.399 6.325 -2.776 577 HZ1 LYS 70 HZ1 LYS 70 14.018 6.795 -1.077 578 HZ2 LYS 70 HZ2 LYS 70 12.811 5.854 -0.466 579 HZ3 LYS 70 HZ3 LYS 70 14.280 5.189 -0.819 580 H GLU 71 H GLU 71 8.585 1.412 -4.078 581 HA GLU 71 HA GLU 71 6.389 2.816 -5.087 582 HB2 GLU 71 HB1 GLU 71 7.028 -0.141 -4.980 583 HB3 GLU 71 HB2 GLU 71 5.544 0.463 -5.754 584 HG2 GLU 71 HG1 GLU 71 7.729 1.950 -6.819 585 HG3 GLU 71 HG2 GLU 71 8.188 0.234 -6.839 586 H TYR 72 H TYR 72 6.486 0.345 -2.452 587 HA TYR 72 HA TYR 72 3.671 0.175 -2.063 588 HB2 TYR 72 HB1 TYR 72 4.971 -1.578 -1.267 589 HB3 TYR 72 HB2 TYR 72 6.126 -0.498 -0.470 590 HD1 TYR 72 HD1 TYR 72 2.394 -1.078 -0.179 591 HD2 TYR 72 HD2 TYR 72 6.199 -0.735 1.804 592 HE1 TYR 72 HE1 TYR 72 1.335 -1.762 1.964 593 HE2 TYR 72 HE2 TYR 72 5.129 -1.309 3.969 594 HH TYR 72 HH TYR 72 3.234 -1.956 5.032 595 H SER 73 H SER 73 6.120 2.255 -0.418 596 HA SER 73 HA SER 73 4.142 3.365 1.352 597 HB2 SER 73 HB1 SER 73 5.933 4.869 2.070 598 HB3 SER 73 HB2 SER 73 6.415 3.156 2.072 599 HG SER 73 HG SER 73 8.028 4.531 1.210 600 H VAL 74 H VAL 74 5.565 4.568 -1.768 601 HA VAL 74 HA VAL 74 3.994 6.957 -1.665 602 HB VAL 74 HB VAL 74 4.333 7.318 -3.976 603 HG11 VAL 74 HG11 VAL 74 6.782 7.487 -4.025 604 HG12 VAL 74 HG12 VAL 74 6.113 7.916 -2.438 605 HG13 VAL 74 HG13 VAL 74 6.879 6.328 -2.684 606 HG21 VAL 74 HG21 VAL 74 5.608 5.879 -5.503 607 HG22 VAL 74 HG22 VAL 74 5.661 4.624 -4.252 608 HG23 VAL 74 HG23 VAL 74 4.104 5.117 -4.957 609 H PHE 75 H PHE 75 3.141 3.647 -2.669 610 HA PHE 75 HA PHE 75 0.752 4.466 -4.087 611 HB2 PHE 75 HB1 PHE 75 2.127 2.342 -4.337 612 HB3 PHE 75 HB2 PHE 75 1.380 1.789 -2.828 613 HD1 PHE 75 HD1 PHE 75 -1.101 1.366 -2.747 614 HD2 PHE 75 HD2 PHE 75 0.960 2.290 -6.411 615 HE1 PHE 75 HE1 PHE 75 -2.923 0.284 -4.051 616 HE2 PHE 75 HE2 PHE 75 -0.812 1.136 -7.701 617 HZ PHE 75 HZ PHE 75 -2.780 0.175 -6.528 618 H LEU 76 H LEU 76 1.328 3.155 -0.739 619 HA LEU 76 HA LEU 76 -1.306 3.523 0.223 620 HB2 LEU 76 HB1 LEU 76 1.397 3.690 1.582 621 HB3 LEU 76 HB2 LEU 76 -0.143 3.809 2.468 622 HG LEU 76 HG LEU 76 0.830 1.405 0.881 623 HD11 LEU 76 HD11 LEU 76 1.047 0.378 3.133 624 HD12 LEU 76 HD12 LEU 76 2.065 1.831 2.992 625 HD13 LEU 76 HD13 LEU 76 0.525 1.907 3.881 626 HD21 LEU 76 HD21 LEU 76 -1.101 0.209 1.868 627 HD22 LEU 76 HD22 LEU 76 -1.651 1.722 2.621 628 HD23 LEU 76 HD23 LEU 76 -1.637 1.562 0.847 629 H THR 77 H THR 77 1.411 5.863 0.050 630 HA THR 77 HA THR 77 0.108 8.073 1.299 631 HB THR 77 HB THR 77 2.339 7.851 -0.733 632 HG1 THR 77 HG1 THR 77 3.546 8.207 1.175 633 HG21 THR 77 HG21 THR 77 3.023 10.135 -0.108 634 HG22 THR 77 HG22 THR 77 1.424 10.121 -0.878 635 HG23 THR 77 HG23 THR 77 1.562 10.293 0.888 636 H MET 78 H MET 78 0.567 7.371 -2.192 637 HA MET 78 HA MET 78 -0.933 9.423 -3.316 638 HB2 MET 78 HB1 MET 78 0.537 7.961 -4.558 639 HB3 MET 78 HB2 MET 78 -0.476 6.549 -4.177 640 HG2 MET 78 HG1 MET 78 -2.211 7.279 -5.611 641 HG3 MET 78 HG2 MET 78 -1.507 8.897 -5.769 642 HE1 MET 78 HE1 MET 78 0.812 5.245 -7.537 643 HE2 MET 78 HE2 MET 78 0.922 5.811 -5.859 644 HE3 MET 78 HE3 MET 78 -0.567 5.028 -6.440 645 H LEU 79 H LEU 79 -2.147 6.215 -2.185 646 HA LEU 79 HA LEU 79 -4.844 6.717 -3.016 647 HB2 LEU 79 HB1 LEU 79 -3.377 4.672 -1.449 648 HB3 LEU 79 HB2 LEU 79 -5.122 4.814 -1.128 649 HG LEU 79 HG LEU 79 -5.698 4.277 -3.341 650 HD11 LEU 79 HD11 LEU 79 -4.143 4.012 -5.241 651 HD12 LEU 79 HD12 LEU 79 -4.111 5.663 -4.593 652 HD13 LEU 79 HD13 LEU 79 -2.798 4.527 -4.202 653 HD21 LEU 79 HD21 LEU 79 -4.613 2.087 -3.707 654 HD22 LEU 79 HD22 LEU 79 -3.294 2.562 -2.610 655 HD23 LEU 79 HD23 LEU 79 -4.949 2.369 -1.983 656 H CYS 80 H CYS 80 -3.223 7.208 0.207 657 HA CYS 80 HA CYS 80 -5.513 8.142 1.573 658 HB2 CYS 80 HB1 CYS 80 -3.305 7.649 2.598 659 HB3 CYS 80 HB2 CYS 80 -2.631 9.103 1.819 660 HG CYS 80 HG CYS 80 -3.064 9.575 4.362 661 H MET 81 H MET 81 -3.200 9.993 -0.443 662 HA MET 81 HA MET 81 -4.675 12.460 -0.315 663 HB2 MET 81 HB1 MET 81 -2.328 11.449 -1.916 664 HB3 MET 81 HB2 MET 81 -3.077 13.022 -2.278 665 HG2 MET 81 HG1 MET 81 -1.273 13.516 -0.868 666 HG3 MET 81 HG2 MET 81 -2.712 13.615 0.160 667 HE1 MET 81 HE1 MET 81 -1.723 11.709 3.181 668 HE2 MET 81 HE2 MET 81 -1.900 13.359 2.546 669 HE3 MET 81 HE3 MET 81 -3.171 12.150 2.251 670 H ALA 82 H ALA 82 -5.194 9.598 -2.210 671 HA ALA 82 HA ALA 82 -6.414 10.871 -4.482 672 HB1 ALA 82 HB1 ALA 82 -7.249 8.606 -5.021 673 HB2 ALA 82 HB2 ALA 82 -5.524 8.579 -4.592 674 HB3 ALA 82 HB3 ALA 82 -6.744 8.042 -3.413 675 H TYR 83 H TYR 83 -7.540 10.535 -1.205 676 HA TYR 83 HA TYR 83 -10.226 11.180 -2.057 677 HB2 TYR 83 HB1 TYR 83 -11.240 9.177 -0.878 678 HB3 TYR 83 HB2 TYR 83 -10.475 8.917 -2.455 679 HD1 TYR 83 HD2 TYR 83 -9.435 8.823 1.188 680 HD2 TYR 83 HD1 TYR 83 -9.437 6.903 -2.665 681 HE1 TYR 83 HE2 TYR 83 -7.961 7.033 2.082 682 HE2 TYR 83 HE1 TYR 83 -8.009 5.083 -1.768 683 HH TYR 83 HH TYR 83 -6.686 5.214 1.595 684 H ASN 84 H ASN 84 -7.985 11.388 0.568 685 HA ASN 84 HA ASN 84 -10.172 11.764 2.474 686 HB2 ASN 84 HB1 ASN 84 -7.189 11.817 2.791 687 HB3 ASN 84 HB2 ASN 84 -8.297 12.303 4.091 688 HD21 ASN 84 HD21 ASN 84 -6.444 9.843 3.516 689 HD22 ASN 84 HD22 ASN 84 -7.475 8.476 3.901 690 H ASP 85 H ASP 85 -11.081 13.336 1.012 691 HA ASP 85 HA ASP 85 -10.318 16.008 0.732 692 HB2 ASP 85 HB1 ASP 85 -13.179 15.251 1.283 693 HB3 ASP 85 HB2 ASP 85 -12.526 16.414 0.109 694 H PHE 86 H PHE 86 -11.350 14.319 3.567 695 HA PHE 86 HA PHE 86 -12.430 16.322 5.211 696 HB2 PHE 86 HB1 PHE 86 -10.736 13.996 6.159 697 HB3 PHE 86 HB2 PHE 86 -12.143 14.729 6.949 698 HD1 PHE 86 HD1 PHE 86 -14.436 14.510 5.656 699 HD2 PHE 86 HD2 PHE 86 -10.986 12.032 4.930 700 HE1 PHE 86 HE1 PHE 86 -15.885 12.807 4.568 701 HE2 PHE 86 HE2 PHE 86 -12.431 10.338 3.833 702 HZ PHE 86 HZ PHE 86 -14.883 10.727 3.649 703 H PHE 87 H PHE 87 -9.155 16.048 4.170 704 HA PHE 87 HA PHE 87 -8.220 17.819 6.364 705 HB2 PHE 87 HB1 PHE 87 -6.527 16.396 4.292 706 HB3 PHE 87 HB2 PHE 87 -6.000 17.132 5.815 707 HD1 PHE 87 HD2 PHE 87 -7.849 15.971 7.807 708 HD2 PHE 87 HD1 PHE 87 -5.938 14.163 4.397 709 HE1 PHE 87 HE2 PHE 87 -8.092 13.732 8.856 710 HE2 PHE 87 HE1 PHE 87 -6.116 11.936 5.481 711 HZ PHE 87 HZ PHE 87 -7.234 11.712 7.688 712 H LEU 88 H LEU 88 -9.546 18.153 3.339 713 HA LEU 88 HA LEU 88 -7.643 20.192 2.343 714 HB2 LEU 88 HB1 LEU 88 -9.706 18.422 1.079 715 HB3 LEU 88 HB2 LEU 88 -9.205 19.928 0.270 716 HG LEU 88 HG LEU 88 -8.093 17.670 -0.334 717 HD11 LEU 88 HD11 LEU 88 -5.966 18.800 -0.929 718 HD12 LEU 88 HD12 LEU 88 -7.368 19.845 -1.227 719 HD13 LEU 88 HD13 LEU 88 -6.353 20.102 0.214 720 HD21 LEU 88 HD21 LEU 88 -5.969 17.136 0.834 721 HD22 LEU 88 HD22 LEU 88 -6.340 18.380 2.041 722 HD23 LEU 88 HD23 LEU 88 -7.372 16.937 1.897 723 H GLU 89 H GLU 89 -10.432 21.069 0.942 724 HA GLU 89 HA GLU 89 -11.681 22.878 2.727 725 HB2 GLU 89 HB1 GLU 89 -9.416 23.711 3.068 726 HB3 GLU 89 HB2 GLU 89 -9.195 23.879 1.310 727 HG2 GLU 89 HG1 GLU 89 -10.940 25.692 1.363 728 HG3 GLU 89 HG2 GLU 89 -10.878 25.602 3.136 729 H ASP 90 H ASP 90 -10.311 22.253 -0.448 730 HA ASP 90 HA ASP 90 -12.642 22.106 -1.969 731 HB2 ASP 90 HB1 ASP 90 -13.122 24.365 -1.756 732 HB3 ASP 90 HB2 ASP 90 -11.419 24.848 -1.911 733 H ASN 91 H ASN 91 -10.734 23.389 -4.301 734 HA ASN 91 HA ASN 91 -9.092 21.022 -4.741 735 HB2 ASN 91 HB1 ASN 91 -10.341 22.478 -6.447 736 HB3 ASN 91 HB2 ASN 91 -9.017 23.645 -6.248 737 HD21 ASN 91 HD21 ASN 91 -6.734 22.632 -6.590 738 HD22 ASN 91 HD22 ASN 91 -6.588 21.525 -7.948 739 H LYS 92 H LYS 92 -8.318 21.802 -2.311 740 HA LYS 92 HA LYS 92 -5.741 22.923 -2.119 741 HB2 LYS 92 HB1 LYS 92 -6.314 25.168 -1.212 742 HB3 LYS 92 HB2 LYS 92 -6.720 24.993 -2.936 743 HG2 LYS 92 HG1 LYS 92 -9.074 24.209 -1.712 744 HG3 LYS 92 HG2 LYS 92 -8.488 25.478 -0.611 745 HD2 LYS 92 HD1 LYS 92 -8.598 25.872 -3.612 746 HD3 LYS 92 HD2 LYS 92 -9.996 26.210 -2.564 747 HE2 LYS 92 HE1 LYS 92 -7.255 27.453 -2.146 748 HE3 LYS 92 HE2 LYS 92 -8.535 28.213 -3.115 749 HZ1 LYS 92 HZ1 LYS 92 -8.561 28.983 -0.852 750 HZ2 LYS 92 HZ2 LYS 92 -9.949 28.151 -1.180 751 HZ3 LYS 92 HZ3 LYS 92 -8.761 27.448 -0.279 752 HA MET 1 HA MET 1 -14.877 -1.880 8.721 753 HB2 MET 1 HB1 MET 1 -13.824 -1.965 6.228 754 HB3 MET 1 HB2 MET 1 -12.323 -1.968 7.184 755 HG2 MET 1 HG1 MET 1 -13.279 -3.855 8.547 756 HG3 MET 1 HG2 MET 1 -14.654 -3.905 7.433 757 HE1 MET 1 HE1 MET 1 -11.262 -6.625 7.146 758 HE2 MET 1 HE2 MET 1 -11.231 -5.274 8.301 759 HE3 MET 1 HE3 MET 1 -12.631 -6.374 8.253 760 H GLU 2 H GLU 2 -12.393 -2.786 9.533 761 HA GLU 2 HA GLU 2 -10.701 -0.557 10.498 762 HB2 GLU 2 HB1 GLU 2 -12.219 -1.123 12.383 763 HB3 GLU 2 HB2 GLU 2 -11.768 -2.837 12.223 764 HG2 GLU 2 HG1 GLU 2 -9.362 -2.115 12.662 765 HG3 GLU 2 HG2 GLU 2 -10.009 -0.518 13.097 766 H THR 3 H THR 3 -8.756 -1.112 9.552 767 HA THR 3 HA THR 3 -7.719 -3.783 10.265 768 HB THR 3 HB THR 3 -6.593 -4.125 8.197 769 HG1 THR 3 HG1 THR 3 -6.940 -2.687 6.455 770 HG21 THR 3 HG21 THR 3 -8.395 -4.497 6.553 771 HG22 THR 3 HG22 THR 3 -8.869 -5.021 8.179 772 HG23 THR 3 HG23 THR 3 -9.473 -3.479 7.523 773 HA PRO 4 HA PRO 4 -4.653 -1.371 12.071 774 HB2 PRO 4 HB1 PRO 4 -2.382 -2.936 12.105 775 HB3 PRO 4 HB2 PRO 4 -3.856 -3.274 13.071 776 HG2 PRO 4 HG1 PRO 4 -3.111 -4.440 10.379 777 HG3 PRO 4 HG2 PRO 4 -3.628 -5.327 11.850 778 HD2 PRO 4 HD1 PRO 4 -5.407 -4.728 9.902 779 HD3 PRO 4 HD2 PRO 4 -5.871 -4.530 11.619 780 H LEU 5 H LEU 5 -3.678 -2.445 8.765 781 HA LEU 5 HA LEU 5 -1.416 -0.692 8.656 782 HB2 LEU 5 HB1 LEU 5 -1.747 -2.625 7.184 783 HB3 LEU 5 HB2 LEU 5 -3.096 -1.778 6.390 784 HG LEU 5 HG LEU 5 -1.569 -0.069 5.552 785 HD11 LEU 5 HD11 LEU 5 0.888 -0.284 5.765 786 HD12 LEU 5 HD12 LEU 5 0.117 -0.057 7.352 787 HD13 LEU 5 HD13 LEU 5 0.667 -1.674 6.850 788 HD21 LEU 5 HD21 LEU 5 -0.326 -1.505 3.954 789 HD22 LEU 5 HD22 LEU 5 -0.581 -2.907 5.018 790 HD23 LEU 5 HD23 LEU 5 -1.971 -2.124 4.230 791 H GLU 6 H GLU 6 -4.893 -0.056 8.098 792 HA GLU 6 HA GLU 6 -4.684 2.528 6.994 793 HB2 GLU 6 HB1 GLU 6 -6.877 2.592 7.285 794 HB3 GLU 6 HB2 GLU 6 -6.708 0.921 7.876 795 HG2 GLU 6 HG1 GLU 6 -8.162 1.966 9.388 796 HG3 GLU 6 HG2 GLU 6 -6.594 1.921 10.223 797 H LYS 7 H LYS 7 -4.274 1.438 10.375 798 HA LYS 7 HA LYS 7 -4.401 4.094 11.448 799 HB2 LYS 7 HB1 LYS 7 -5.128 2.162 12.656 800 HB3 LYS 7 HB2 LYS 7 -3.509 1.428 12.553 801 HG2 LYS 7 HG1 LYS 7 -3.773 4.080 13.913 802 HG3 LYS 7 HG2 LYS 7 -4.349 2.625 14.761 803 HD2 LYS 7 HD1 LYS 7 -2.227 1.699 14.894 804 HD3 LYS 7 HD2 LYS 7 -1.700 2.428 13.359 805 HE2 LYS 7 HE1 LYS 7 -0.513 3.538 15.111 806 HE3 LYS 7 HE2 LYS 7 -1.744 4.664 14.501 807 HZ1 LYS 7 HZ1 LYS 7 -1.633 4.679 16.887 808 HZ2 LYS 7 HZ2 LYS 7 -3.095 4.111 16.388 809 HZ3 LYS 7 HZ3 LYS 7 -1.952 3.065 16.955 810 H ALA 8 H ALA 8 -1.750 2.274 10.022 811 HA ALA 8 HA ALA 8 0.398 3.845 11.024 812 HB1 ALA 8 HB1 ALA 8 1.600 3.061 9.017 813 HB2 ALA 8 HB2 ALA 8 0.703 1.735 9.794 814 HB3 ALA 8 HB3 ALA 8 0.065 2.495 8.316 815 H LEU 9 H LEU 9 -1.624 4.302 8.061 816 HA LEU 9 HA LEU 9 -0.563 6.853 7.376 817 HB2 LEU 9 HB1 LEU 9 -3.212 5.526 6.765 818 HB3 LEU 9 HB2 LEU 9 -2.724 7.103 6.098 819 HG LEU 9 HG LEU 9 -2.439 5.493 4.420 820 HD11 LEU 9 HD11 LEU 9 -0.036 5.632 3.882 821 HD12 LEU 9 HD12 LEU 9 -0.656 7.163 4.534 822 HD13 LEU 9 HD13 LEU 9 0.307 6.079 5.566 823 HD21 LEU 9 HD21 LEU 9 -1.063 3.457 4.583 824 HD22 LEU 9 HD22 LEU 9 -0.757 3.812 6.296 825 HD23 LEU 9 HD23 LEU 9 -2.407 3.441 5.743 826 H THR 10 H THR 10 -3.265 5.904 9.600 827 HA THR 10 HA THR 10 -4.209 8.581 9.953 828 HB THR 10 HB THR 10 -4.496 6.102 11.651 829 HG1 THR 10 HG1 THR 10 -6.597 6.457 10.768 830 HG21 THR 10 HG21 THR 10 -6.237 7.344 12.910 831 HG22 THR 10 HG22 THR 10 -4.634 8.063 13.174 832 HG23 THR 10 HG23 THR 10 -5.784 8.839 12.060 833 H THR 11 H THR 11 -1.750 6.699 11.796 834 HA THR 11 HA THR 11 -0.938 8.736 13.558 835 HB THR 11 HB THR 11 1.049 6.912 12.202 836 HG1 THR 11 HG1 THR 11 0.444 5.398 13.832 837 HG21 THR 11 HG21 THR 11 2.084 6.915 14.463 838 HG22 THR 11 HG22 THR 11 1.919 8.568 13.835 839 HG23 THR 11 HG23 THR 11 0.774 7.960 15.054 840 H MET 12 H MET 12 0.279 8.090 10.203 841 HA MET 12 HA MET 12 2.052 10.261 10.070 842 HB2 MET 12 HB1 MET 12 0.478 8.847 7.900 843 HB3 MET 12 HB2 MET 12 1.753 10.045 7.575 844 HG2 MET 12 HG1 MET 12 3.417 8.653 8.603 845 HG3 MET 12 HG2 MET 12 2.188 7.524 9.196 846 HE1 MET 12 HE1 MET 12 4.636 5.951 6.317 847 HE2 MET 12 HE2 MET 12 5.020 7.437 7.217 848 HE3 MET 12 HE3 MET 12 4.376 6.019 8.077 849 H VAL 13 H VAL 13 -1.482 10.302 9.043 850 HA VAL 13 HA VAL 13 -1.230 13.064 8.281 851 HB VAL 13 HB VAL 13 -3.649 13.188 8.138 852 HG11 VAL 13 HG11 VAL 13 -3.939 11.532 6.321 853 HG12 VAL 13 HG12 VAL 13 -2.343 12.310 6.247 854 HG13 VAL 13 HG13 VAL 13 -2.501 10.660 6.895 855 HG21 VAL 13 HG21 VAL 13 -5.089 11.222 8.516 856 HG22 VAL 13 HG22 VAL 13 -3.691 10.333 9.155 857 HG23 VAL 13 HG23 VAL 13 -4.306 11.765 10.016 858 H THR 14 H THR 14 -2.163 11.516 11.393 859 HA THR 14 HA THR 14 -2.958 13.961 12.630 860 HB THR 14 HB THR 14 -2.556 12.940 14.789 861 HG1 THR 14 HG1 THR 14 -1.891 10.791 14.933 862 HG21 THR 14 HG21 THR 14 -4.234 11.177 14.670 863 HG22 THR 14 HG22 THR 14 -4.672 12.589 13.687 864 HG23 THR 14 HG23 THR 14 -4.039 11.121 12.905 865 H THR 15 H THR 15 0.273 12.441 12.237 866 HA THR 15 HA THR 15 1.448 14.341 14.098 867 HB THR 15 HB THR 15 3.638 13.483 13.061 868 HG1 THR 15 HG1 THR 15 3.367 11.465 12.011 869 HG21 THR 15 HG21 THR 15 3.516 11.366 14.344 870 HG22 THR 15 HG22 THR 15 2.754 12.702 15.235 871 HG23 THR 15 HG23 THR 15 1.744 11.503 14.392 872 H PHE 16 H PHE 16 1.658 13.839 10.560 873 HA PHE 16 HA PHE 16 3.213 16.022 9.844 874 HB2 PHE 16 HB1 PHE 16 2.556 13.985 8.536 875 HB3 PHE 16 HB2 PHE 16 0.957 14.706 8.289 876 HD1 PHE 16 HD1 PHE 16 0.910 17.046 7.082 877 HD2 PHE 16 HD2 PHE 16 4.217 14.289 6.955 878 HE1 PHE 16 HE1 PHE 16 1.812 18.208 5.081 879 HE2 PHE 16 HE2 PHE 16 5.011 15.339 4.852 880 HZ PHE 16 HZ PHE 16 3.796 17.290 3.905 881 H HIS 17 H HIS 17 -0.405 15.989 10.172 882 HA HIS 17 HA HIS 17 -0.785 18.574 9.057 883 HB2 HIS 17 HB1 HIS 17 -2.563 16.881 9.407 884 HB3 HIS 17 HB2 HIS 17 -2.473 17.179 11.153 885 HD1 HIS 17 HD1 HIS 17 -3.019 19.965 11.767 886 HD2 HIS 17 HD2 HIS 17 -4.295 18.340 8.110 887 HE1 HIS 17 HE1 HIS 17 -4.824 21.528 10.872 888 HE2 HIS 17 HE2 HIS 17 -5.580 20.584 8.618 889 H LYS 18 H LYS 18 0.227 17.646 12.368 890 HA LYS 18 HA LYS 18 -0.213 20.236 13.520 891 HB2 LYS 18 HB1 LYS 18 1.655 17.990 14.333 892 HB3 LYS 18 HB2 LYS 18 1.317 19.437 15.313 893 HG2 LYS 18 HG1 LYS 18 -1.102 18.774 15.349 894 HG3 LYS 18 HG2 LYS 18 -0.657 17.269 14.510 895 HD2 LYS 18 HD1 LYS 18 0.957 16.778 16.379 896 HD3 LYS 18 HD2 LYS 18 0.332 18.209 17.235 897 HE2 LYS 18 HE1 LYS 18 -0.873 16.439 18.193 898 HE3 LYS 18 HE2 LYS 18 -1.995 17.080 16.974 899 HZ1 LYS 18 HZ1 LYS 18 -1.867 14.695 16.897 900 HZ2 LYS 18 HZ2 LYS 18 -1.282 15.338 15.496 901 HZ3 LYS 18 HZ3 LYS 18 -0.242 14.742 16.627 902 H TYR 19 H TYR 19 1.970 19.435 11.104 903 HA TYR 19 HA TYR 19 3.908 21.564 11.868 904 HB2 TYR 19 HB1 TYR 19 4.435 18.901 10.515 905 HB3 TYR 19 HB2 TYR 19 5.633 20.191 10.723 906 HD1 TYR 19 HD1 TYR 19 3.332 18.015 12.752 907 HD2 TYR 19 HD2 TYR 19 7.089 20.094 12.574 908 HE1 TYR 19 HE1 TYR 19 4.072 16.813 14.788 909 HE2 TYR 19 HE2 TYR 19 7.837 18.914 14.626 910 HH TYR 19 HH TYR 19 7.319 17.347 16.229 911 H SER 20 H SER 20 1.379 21.346 10.040 912 HA SER 20 HA SER 20 2.496 22.766 7.709 913 HB2 SER 20 HB1 SER 20 1.176 21.267 6.157 914 HB3 SER 20 HB2 SER 20 2.605 20.510 6.900 915 HG SER 20 HG SER 20 0.752 19.145 6.943 916 H GLY 21 H GLY 21 -0.545 21.189 8.760 917 HA2 GLY 21 HA2 GLY 21 -1.522 23.637 8.585 918 H ARG 22 H ARG 22 0.037 23.860 10.211 919 HA ARG 22 HA ARG 22 -1.411 25.408 12.226 920 HB2 ARG 22 HB1 ARG 22 1.395 25.279 11.075 921 HB3 ARG 22 HB2 ARG 22 0.911 26.617 12.144 922 HG2 ARG 22 HG1 ARG 22 0.962 25.330 14.007 923 HG3 ARG 22 HG2 ARG 22 0.358 23.886 13.160 924 HD2 ARG 22 HD1 ARG 22 2.761 23.836 14.080 925 HD3 ARG 22 HD2 ARG 22 2.487 23.271 12.419 926 HE ARG 22 HE ARG 22 3.235 26.048 12.495 927 HH11 ARG 22 HH12 ARG 22 4.828 23.057 13.375 928 HH12 ARG 22 HH11 ARG 22 6.273 23.423 12.464 929 HH21 ARG 22 HH22 ARG 22 4.948 26.333 11.047 930 HH22 ARG 22 HH21 ARG 22 6.336 25.269 11.155 931 H GLU 23 H GLU 23 -0.270 25.827 8.842 932 HA GLU 23 HA GLU 23 -0.743 28.755 9.059 933 HB2 GLU 23 HB1 GLU 23 1.789 27.262 8.355 934 HB3 GLU 23 HB2 GLU 23 1.504 28.901 7.719 935 HG2 GLU 23 HG1 GLU 23 1.811 29.892 9.752 936 HG3 GLU 23 HG2 GLU 23 1.062 28.550 10.642 937 H GLY 24 H GLY 24 -0.927 25.897 6.921 938 HA2 GLY 24 HA2 GLY 24 -2.573 26.411 5.701 939 H SER 25 H SER 25 0.011 25.650 3.663 940 HA SER 25 HA SER 25 -1.701 23.877 2.194 941 HB2 SER 25 HB1 SER 25 0.731 23.151 1.390 942 HB3 SER 25 HB2 SER 25 -0.002 24.694 0.891 943 HG SER 25 HG SER 25 2.164 24.938 1.641 944 H LYS 26 H LYS 26 -2.659 22.272 3.519 945 HA LYS 26 HA LYS 26 -1.044 21.253 5.692 946 HB2 LYS 26 HB1 LYS 26 -3.170 20.288 6.507 947 HB3 LYS 26 HB2 LYS 26 -3.101 22.056 6.320 948 HG2 LYS 26 HG1 LYS 26 -4.393 20.328 4.233 949 HG3 LYS 26 HG2 LYS 26 -5.258 20.779 5.722 950 HD2 LYS 26 HD1 LYS 26 -4.828 23.211 5.079 951 HD3 LYS 26 HD2 LYS 26 -4.297 22.598 3.494 952 HE2 LYS 26 HE1 LYS 26 -6.548 21.353 3.414 953 HE3 LYS 26 HE2 LYS 26 -7.033 22.378 4.780 954 HZ1 LYS 26 HZ1 LYS 26 -7.756 23.284 2.691 955 HZ2 LYS 26 HZ2 LYS 26 -6.661 24.290 3.399 956 HZ3 LYS 26 HZ3 LYS 26 -6.209 23.337 2.130 957 H LEU 27 H LEU 27 -0.479 20.316 2.944 958 HA LEU 27 HA LEU 27 -0.171 17.434 3.569 959 HB2 LEU 27 HB1 LEU 27 -1.016 18.761 0.983 960 HB3 LEU 27 HB2 LEU 27 -0.296 17.134 1.015 961 HG LEU 27 HG LEU 27 -2.845 17.942 2.470 962 HD11 LEU 27 HD11 LEU 27 -3.953 16.643 0.664 963 HD12 LEU 27 HD12 LEU 27 -3.040 18.016 -0.008 964 HD13 LEU 27 HD13 LEU 27 -2.373 16.369 -0.111 965 HD21 LEU 27 HD21 LEU 27 -3.172 15.500 2.747 966 HD22 LEU 27 HD22 LEU 27 -1.601 15.203 1.968 967 HD23 LEU 27 HD23 LEU 27 -1.673 16.038 3.539 968 H THR 28 H THR 28 1.432 20.301 3.085 969 HA THR 28 HA THR 28 3.984 18.970 2.356 970 HB THR 28 HB THR 28 4.523 21.295 1.309 971 HG1 THR 28 HG1 THR 28 2.642 22.247 0.407 972 HG21 THR 28 HG21 THR 28 3.664 20.646 -0.920 973 HG22 THR 28 HG22 THR 28 4.366 19.257 -0.067 974 HG23 THR 28 HG23 THR 28 2.600 19.451 -0.151 975 H LEU 29 H LEU 29 5.886 20.271 3.097 976 HA LEU 29 HA LEU 29 5.575 22.432 4.962 977 HB2 LEU 29 HB1 LEU 29 6.243 21.480 6.986 978 HB3 LEU 29 HB2 LEU 29 4.928 20.457 6.359 979 HG LEU 29 HG LEU 29 7.886 19.805 6.432 980 HD11 LEU 29 HD11 LEU 29 7.144 18.003 7.977 981 HD12 LEU 29 HD12 LEU 29 6.680 19.607 8.591 982 HD13 LEU 29 HD13 LEU 29 5.463 18.564 7.817 983 HD21 LEU 29 HD21 LEU 29 7.277 17.566 5.567 984 HD22 LEU 29 HD22 LEU 29 5.593 18.102 5.382 985 HD23 LEU 29 HD23 LEU 29 6.880 18.839 4.396 986 H SER 30 H SER 30 7.849 23.083 5.938 987 HA SER 30 HA SER 30 9.461 23.258 3.560 988 HB2 SER 30 HB1 SER 30 10.912 24.735 4.743 989 HB3 SER 30 HB2 SER 30 9.236 25.113 5.212 990 HG SER 30 HG SER 30 10.672 25.051 7.011 991 H ARG 31 H ARG 31 11.711 22.684 3.229 992 HA ARG 31 HA ARG 31 12.452 20.075 3.877 993 HB2 ARG 31 HB1 ARG 31 14.537 22.211 3.586 994 HB3 ARG 31 HB2 ARG 31 14.559 20.522 3.025 995 HG2 ARG 31 HG1 ARG 31 13.133 22.858 1.769 996 HG3 ARG 31 HG2 ARG 31 14.573 22.005 1.164 997 HD2 ARG 31 HD1 ARG 31 11.809 20.802 1.397 998 HD3 ARG 31 HD2 ARG 31 12.505 21.493 -0.084 999 HE ARG 31 HE ARG 31 13.377 19.011 1.283 1000 HH11 ARG 31 HH12 ARG 31 13.989 21.109 -1.494 1001 HH12 ARG 31 HH11 ARG 31 14.502 19.785 -2.503 1002 HH21 ARG 31 HH22 ARG 31 13.807 17.326 -0.157 1003 HH22 ARG 31 HH21 ARG 31 14.401 17.689 -1.759 1004 H LYS 32 H LYS 32 12.867 22.973 5.875 1005 HA LYS 32 HA LYS 32 14.626 21.723 7.813 1006 HB2 LYS 32 HB1 LYS 32 12.928 24.231 7.992 1007 HB3 LYS 32 HB2 LYS 32 14.191 23.744 9.146 1008 HG2 LYS 32 HG1 LYS 32 14.623 24.441 6.225 1009 HG3 LYS 32 HG2 LYS 32 14.961 25.502 7.614 1010 HD2 LYS 32 HD1 LYS 32 16.699 23.928 8.403 1011 HD3 LYS 32 HD2 LYS 32 16.351 22.847 7.032 1012 HE2 LYS 32 HE1 LYS 32 16.782 24.802 5.486 1013 HE3 LYS 32 HE2 LYS 32 17.317 25.735 6.901 1014 HZ1 LYS 32 HZ1 LYS 32 19.158 24.790 5.711 1015 HZ2 LYS 32 HZ2 LYS 32 19.057 24.134 7.219 1016 HZ3 LYS 32 HZ3 LYS 32 18.560 23.268 5.906 1017 H GLU 33 H GLU 33 11.129 22.605 7.859 1018 HA GLU 33 HA GLU 33 10.447 21.718 10.413 1019 HB2 GLU 33 HB1 GLU 33 9.140 23.066 8.707 1020 HB3 GLU 33 HB2 GLU 33 8.769 21.532 7.883 1021 HG2 GLU 33 HG1 GLU 33 6.881 21.851 9.177 1022 HG3 GLU 33 HG2 GLU 33 7.863 20.796 10.215 1023 H LEU 34 H LEU 34 10.485 19.775 7.353 1024 HA LEU 34 HA LEU 34 9.343 17.431 8.491 1025 HB2 LEU 34 HB1 LEU 34 9.417 17.834 6.101 1026 HB3 LEU 34 HB2 LEU 34 11.197 17.836 6.118 1027 HG LEU 34 HG LEU 34 10.037 15.383 7.252 1028 HD11 LEU 34 HD11 LEU 34 9.277 14.415 5.113 1029 HD12 LEU 34 HD12 LEU 34 8.290 15.819 5.580 1030 HD13 LEU 34 HD13 LEU 34 9.534 15.983 4.316 1031 HD21 LEU 34 HD21 LEU 34 11.674 14.295 5.743 1032 HD22 LEU 34 HD22 LEU 34 11.979 15.859 4.955 1033 HD23 LEU 34 HD23 LEU 34 12.421 15.619 6.663 1034 H LYS 35 H LYS 35 12.814 18.366 8.099 1035 HA LYS 35 HA LYS 35 13.788 15.863 9.067 1036 HB2 LYS 35 HB1 LYS 35 15.828 16.675 8.606 1037 HB3 LYS 35 HB2 LYS 35 14.856 17.846 7.681 1038 HG2 LYS 35 HG1 LYS 35 15.009 19.228 9.952 1039 HG3 LYS 35 HG2 LYS 35 16.471 18.235 10.173 1040 HD2 LYS 35 HD1 LYS 35 15.842 19.976 7.764 1041 HD3 LYS 35 HD2 LYS 35 16.977 20.381 9.073 1042 HE2 LYS 35 HE1 LYS 35 17.340 17.897 7.401 1043 HE3 LYS 35 HE2 LYS 35 17.919 19.480 6.840 1044 HZ1 LYS 35 HZ1 LYS 35 19.618 18.270 7.996 1045 HZ2 LYS 35 HZ2 LYS 35 19.225 19.636 8.831 1046 HZ3 LYS 35 HZ3 LYS 35 18.686 18.167 9.351 1047 H GLU 36 H GLU 36 12.696 18.719 10.771 1048 HA GLU 36 HA GLU 36 13.550 17.837 13.406 1049 HB2 GLU 36 HB1 GLU 36 13.289 20.187 12.817 1050 HB3 GLU 36 HB2 GLU 36 11.574 19.922 12.423 1051 HG2 GLU 36 HG1 GLU 36 11.598 20.990 14.517 1052 HG3 GLU 36 HG2 GLU 36 11.243 19.281 14.850 1053 H LEU 37 H LEU 37 10.328 17.984 11.758 1054 HA LEU 37 HA LEU 37 8.633 16.691 13.456 1055 HB2 LEU 37 HB1 LEU 37 7.828 17.527 11.410 1056 HB3 LEU 37 HB2 LEU 37 8.991 16.575 10.458 1057 HG LEU 37 HG LEU 37 7.713 14.515 11.195 1058 HD11 LEU 37 HD11 LEU 37 5.343 14.797 11.831 1059 HD12 LEU 37 HD12 LEU 37 6.431 15.475 13.057 1060 HD13 LEU 37 HD13 LEU 37 5.584 16.553 11.921 1061 HD21 LEU 37 HD21 LEU 37 5.962 14.818 9.462 1062 HD22 LEU 37 HD22 LEU 37 6.227 16.574 9.509 1063 HD23 LEU 37 HD23 LEU 37 7.518 15.494 8.932 1064 H ILE 38 H ILE 38 10.829 14.934 11.164 1065 HA ILE 38 HA ILE 38 9.934 12.348 11.883 1066 HB ILE 38 HB ILE 38 12.464 13.376 10.580 1067 HG12 ILE 38 HG13 ILE 38 10.004 11.900 9.549 1068 HG13 ILE 38 HG12 ILE 38 10.274 13.656 9.435 1069 HG21 ILE 38 HG21 ILE 38 12.969 11.049 9.899 1070 HG22 ILE 38 HG22 ILE 38 13.033 11.231 11.666 1071 HG23 ILE 38 HG23 ILE 38 11.621 10.463 10.901 1072 HD11 ILE 38 HD11 ILE 38 10.751 12.537 7.281 1073 HD12 ILE 38 HD12 ILE 38 12.216 13.262 7.975 1074 HD13 ILE 38 HD13 ILE 38 11.948 11.506 8.091 1075 H LYS 39 H LYS 39 12.616 14.278 13.332 1076 HA LYS 39 HA LYS 39 13.444 12.206 15.144 1077 HB2 LYS 39 HB1 LYS 39 13.875 15.169 14.799 1078 HB3 LYS 39 HB2 LYS 39 14.462 14.355 16.270 1079 HG2 LYS 39 HG1 LYS 39 15.193 13.411 13.485 1080 HG3 LYS 39 HG2 LYS 39 16.133 14.643 14.360 1081 HD2 LYS 39 HD1 LYS 39 16.480 12.992 16.218 1082 HD3 LYS 39 HD2 LYS 39 15.645 11.764 15.237 1083 HE2 LYS 39 HE1 LYS 39 17.314 11.980 13.469 1084 HE3 LYS 39 HE2 LYS 39 18.108 13.313 14.335 1085 HZ1 LYS 39 HZ1 LYS 39 19.272 11.249 14.623 1086 HZ2 LYS 39 HZ2 LYS 39 18.671 11.769 16.065 1087 HZ3 LYS 39 HZ3 LYS 39 17.935 10.531 15.261 1088 H LYS 40 H LYS 40 10.754 14.444 15.296 1089 HA LYS 40 HA LYS 40 10.275 13.964 18.167 1090 HB2 LYS 40 HB1 LYS 40 9.174 15.741 16.015 1091 HB3 LYS 40 HB2 LYS 40 8.118 15.335 17.390 1092 HG2 LYS 40 HG1 LYS 40 9.165 17.454 17.785 1093 HG3 LYS 40 HG2 LYS 40 9.813 16.254 18.927 1094 HD2 LYS 40 HD1 LYS 40 11.905 16.148 17.755 1095 HD3 LYS 40 HD2 LYS 40 11.260 17.099 16.395 1096 HE2 LYS 40 HE1 LYS 40 11.018 19.060 17.785 1097 HE3 LYS 40 HE2 LYS 40 11.389 18.132 19.254 1098 HZ1 LYS 40 HZ1 LYS 40 13.263 19.411 18.514 1099 HZ2 LYS 40 HZ2 LYS 40 13.598 17.800 18.409 1100 HZ3 LYS 40 HZ3 LYS 40 13.254 18.662 17.045 1101 H GLU 41 H GLU 41 8.962 13.004 15.007 1102 HA GLU 41 HA GLU 41 6.769 11.407 15.888 1103 HB2 GLU 41 HB1 GLU 41 8.576 11.453 13.449 1104 HB3 GLU 41 HB2 GLU 41 7.230 10.299 13.609 1105 HG2 GLU 41 HG1 GLU 41 5.676 12.261 13.865 1106 HG3 GLU 41 HG2 GLU 41 7.048 13.331 13.504 1107 H LEU 42 H LEU 42 10.256 10.747 15.527 1108 HA LEU 42 HA LEU 42 9.953 8.077 16.704 1109 HB2 LEU 42 HB1 LEU 42 9.684 8.181 14.051 1110 HB3 LEU 42 HB2 LEU 42 11.462 8.224 14.112 1111 HG LEU 42 HG LEU 42 9.721 6.167 15.487 1112 HD11 LEU 42 HD11 LEU 42 10.428 4.598 13.706 1113 HD12 LEU 42 HD12 LEU 42 9.541 5.988 13.041 1114 HD13 LEU 42 HD13 LEU 42 11.315 5.915 12.906 1115 HD21 LEU 42 HD21 LEU 42 11.785 4.842 15.795 1116 HD22 LEU 42 HD22 LEU 42 12.725 6.151 15.051 1117 HD23 LEU 42 HD23 LEU 42 11.890 6.420 16.601 1118 H CYS 43 H CYS 43 11.093 9.217 18.453 1119 HA CYS 43 HA CYS 43 13.944 9.609 17.891 1120 HB2 CYS 43 HB1 CYS 43 14.199 10.301 20.168 1121 HB3 CYS 43 HB2 CYS 43 12.826 11.146 19.410 1122 HG CYS 43 HG CYS 43 12.302 10.680 21.929 1123 H LEU 44 H LEU 44 15.168 7.944 17.555 1124 HA LEU 44 HA LEU 44 15.189 5.489 19.094 1125 HB2 LEU 44 HB1 LEU 44 17.259 6.907 17.364 1126 HB3 LEU 44 HB2 LEU 44 17.340 5.216 17.911 1127 HG LEU 44 HG LEU 44 15.352 6.451 16.003 1128 HD11 LEU 44 HD11 LEU 44 16.321 4.947 14.310 1129 HD12 LEU 44 HD12 LEU 44 17.541 6.026 15.016 1130 HD13 LEU 44 HD13 LEU 44 17.457 4.324 15.524 1131 HD21 LEU 44 HD21 LEU 44 14.314 4.249 15.660 1132 HD22 LEU 44 HD22 LEU 44 15.350 3.574 16.932 1133 HD23 LEU 44 HD23 LEU 44 14.140 4.817 17.330 1134 H GLY 45 H GLY 45 18.252 6.914 19.104 1135 HA2 GLY 45 HA2 GLY 45 17.931 8.905 20.355 1136 H GLU 46 H GLU 46 20.295 6.868 19.680 1137 HA GLU 46 HA GLU 46 21.728 9.050 18.310 1138 HB2 GLU 46 HB1 GLU 46 23.854 8.249 19.148 1139 HB3 GLU 46 HB2 GLU 46 22.787 8.624 20.522 1140 HG2 GLU 46 HG1 GLU 46 23.444 5.856 19.454 1141 HG3 GLU 46 HG2 GLU 46 24.069 6.590 20.948 1142 H MET 47 H MET 47 20.611 5.754 18.396 1143 HA MET 47 HA MET 47 22.341 4.176 17.074 1144 HB2 MET 47 HB1 MET 47 19.342 4.275 16.632 1145 HB3 MET 47 HB2 MET 47 20.395 2.894 16.245 1146 HG2 MET 47 HG1 MET 47 21.033 2.892 18.719 1147 HG3 MET 47 HG2 MET 47 19.672 4.000 18.962 1148 HE1 MET 47 HE1 MET 47 16.833 1.535 17.325 1149 HE2 MET 47 HE2 MET 47 17.186 3.236 17.706 1150 HE3 MET 47 HE3 MET 47 18.023 2.433 16.356 1151 H LYS 48 H LYS 48 20.112 6.376 15.277 1152 HA LYS 48 HA LYS 48 21.880 5.997 12.925 1153 HB2 LYS 48 HB1 LYS 48 18.864 6.236 13.100 1154 HB3 LYS 48 HB2 LYS 48 19.762 6.518 11.588 1155 HG2 LYS 48 HG1 LYS 48 19.854 3.984 13.244 1156 HG3 LYS 48 HG2 LYS 48 18.870 4.219 11.780 1157 HD2 LYS 48 HD1 LYS 48 21.896 4.128 11.959 1158 HD3 LYS 48 HD2 LYS 48 20.820 2.910 11.236 1159 HE2 LYS 48 HE1 LYS 48 20.072 4.704 9.595 1160 HE3 LYS 48 HE2 LYS 48 21.381 5.724 10.230 1161 HZ1 LYS 48 HZ1 LYS 48 22.056 4.521 8.280 1162 HZ2 LYS 48 HZ2 LYS 48 22.934 4.022 9.583 1163 HZ3 LYS 48 HZ3 LYS 48 21.718 3.074 8.995 1164 H GLU 49 H GLU 49 22.989 7.644 12.593 1165 HA GLU 49 HA GLU 49 21.722 10.196 11.859 1166 HB2 GLU 49 HB1 GLU 49 24.367 10.140 13.332 1167 HB3 GLU 49 HB2 GLU 49 23.415 11.559 12.832 1168 HG2 GLU 49 HG1 GLU 49 22.615 9.633 15.019 1169 HG3 GLU 49 HG2 GLU 49 23.489 11.158 15.279 1170 H SER 50 H SER 50 24.704 8.157 11.992 1171 HA SER 50 HA SER 50 25.934 9.154 9.661 1172 HB2 SER 50 HB1 SER 50 27.129 6.867 9.743 1173 HB3 SER 50 HB2 SER 50 27.318 7.979 11.119 1174 HG SER 50 HG SER 50 26.864 5.821 11.777 1175 H SER 51 H SER 51 25.827 8.822 7.614 1176 HA SER 51 HA SER 51 25.168 8.260 5.566 1177 HB2 SER 51 HB1 SER 51 24.504 5.541 6.724 1178 HB3 SER 51 HB2 SER 51 24.654 5.933 4.993 1179 HG SER 51 HG SER 51 26.600 5.084 5.887 1180 H ILE 52 H ILE 52 22.862 8.708 7.945 1181 HA ILE 52 HA ILE 52 20.933 9.048 5.723 1182 HB ILE 52 HB ILE 52 19.139 9.278 7.301 1183 HG12 ILE 52 HG13 ILE 52 19.404 8.386 9.648 1184 HG13 ILE 52 HG12 ILE 52 21.144 8.722 9.483 1185 HG21 ILE 52 HG21 ILE 52 19.040 6.875 7.926 1186 HG22 ILE 52 HG22 ILE 52 19.735 7.100 6.306 1187 HG23 ILE 52 HG23 ILE 52 20.797 6.749 7.689 1188 HD11 ILE 52 HD11 ILE 52 19.993 10.559 10.687 1189 HD12 ILE 52 HD12 ILE 52 20.652 11.114 9.135 1190 HD13 ILE 52 HD13 ILE 52 18.910 10.780 9.297 1191 H ASP 53 H ASP 53 23.013 10.833 7.877 1192 HA ASP 53 HA ASP 53 21.642 13.311 7.651 1193 HB2 ASP 53 HB1 ASP 53 23.444 12.825 9.298 1194 HB3 ASP 53 HB2 ASP 53 24.627 12.946 7.977 1195 H ASP 54 H ASP 54 23.725 11.663 5.216 1196 HA ASP 54 HA ASP 54 24.045 13.876 3.477 1197 HB2 ASP 54 HB1 ASP 54 25.119 11.707 3.062 1198 HB3 ASP 54 HB2 ASP 54 23.534 10.954 2.782 1199 H LEU 55 H LEU 55 21.251 11.702 3.936 1200 HA LEU 55 HA LEU 55 19.597 12.740 1.864 1201 HB2 LEU 55 HB1 LEU 55 18.657 11.608 4.512 1202 HB3 LEU 55 HB2 LEU 55 17.813 11.591 2.945 1203 HG LEU 55 HG LEU 55 20.352 10.048 3.578 1204 HD11 LEU 55 HD11 LEU 55 18.883 8.060 3.632 1205 HD12 LEU 55 HD12 LEU 55 18.429 9.237 4.889 1206 HD13 LEU 55 HD13 LEU 55 17.461 9.104 3.400 1207 HD21 LEU 55 HD21 LEU 55 19.894 8.874 1.452 1208 HD22 LEU 55 HD22 LEU 55 18.486 9.926 1.174 1209 HD23 LEU 55 HD23 LEU 55 20.125 10.618 1.193 1210 H MET 56 H MET 56 20.082 13.676 5.294 1211 HA MET 56 HA MET 56 18.288 15.894 5.237 1212 HB2 MET 56 HB1 MET 56 20.552 15.068 7.035 1213 HB3 MET 56 HB2 MET 56 19.743 16.642 7.237 1214 HG2 MET 56 HG1 MET 56 17.560 15.120 7.084 1215 HG3 MET 56 HG2 MET 56 18.681 13.870 7.646 1216 HE1 MET 56 HE1 MET 56 16.760 14.550 10.836 1217 HE2 MET 56 HE2 MET 56 16.157 14.481 9.160 1218 HE3 MET 56 HE3 MET 56 17.415 13.343 9.698 1219 H LYS 57 H LYS 57 21.906 15.823 4.630 1220 HA LYS 57 HA LYS 57 22.193 18.535 3.949 1221 HB2 LYS 57 HB1 LYS 57 23.568 16.009 3.204 1222 HB3 LYS 57 HB2 LYS 57 23.776 17.371 2.076 1223 HG2 LYS 57 HG1 LYS 57 25.618 17.338 3.635 1224 HG3 LYS 57 HG2 LYS 57 24.601 18.761 3.962 1225 HD2 LYS 57 HD1 LYS 57 23.995 16.275 5.491 1226 HD3 LYS 57 HD2 LYS 57 25.504 17.128 5.893 1227 HE2 LYS 57 HE1 LYS 57 24.220 19.201 6.299 1228 HE3 LYS 57 HE2 LYS 57 22.714 18.344 5.904 1229 HZ1 LYS 57 HZ1 LYS 57 23.097 18.431 8.258 1230 HZ2 LYS 57 HZ2 LYS 57 23.149 16.867 7.735 1231 HZ3 LYS 57 HZ3 LYS 57 24.547 17.662 8.102 1232 H SER 58 H SER 58 20.790 15.864 2.094 1233 HA SER 58 HA SER 58 20.326 17.461 -0.251 1234 HB2 SER 58 HB1 SER 58 19.472 14.678 0.520 1235 HB3 SER 58 HB2 SER 58 19.002 15.452 -1.012 1236 HG SER 58 HG SER 58 20.989 14.284 -1.179 1237 H LEU 59 H LEU 59 18.537 17.354 2.705 1238 HA LEU 59 HA LEU 59 16.181 18.625 1.433 1239 HB2 LEU 59 HB1 LEU 59 16.955 18.148 4.341 1240 HB3 LEU 59 HB2 LEU 59 15.398 18.799 3.782 1241 HG LEU 59 HG LEU 59 16.469 15.989 3.454 1242 HD11 LEU 59 HD11 LEU 59 14.455 15.437 4.782 1243 HD12 LEU 59 HD12 LEU 59 15.497 16.598 5.640 1244 HD13 LEU 59 HD13 LEU 59 14.015 17.162 4.832 1245 HD21 LEU 59 HD21 LEU 59 14.390 15.421 2.256 1246 HD22 LEU 59 HD22 LEU 59 13.924 17.136 2.258 1247 HD23 LEU 59 HD23 LEU 59 15.361 16.603 1.353 1248 H ASP 60 H ASP 60 18.733 19.372 3.769 1249 HA ASP 60 HA ASP 60 18.561 22.138 4.025 1250 HB2 ASP 60 HB1 ASP 60 20.853 20.155 4.098 1251 HB3 ASP 60 HB2 ASP 60 21.069 21.872 4.502 1252 H LYS 61 H LYS 61 19.737 20.291 1.309 1253 HA LYS 61 HA LYS 61 21.573 21.780 -0.062 1254 HB2 LYS 61 HB1 LYS 61 20.322 19.513 -0.504 1255 HB3 LYS 61 HB2 LYS 61 19.197 20.517 -1.448 1256 HG2 LYS 61 HG1 LYS 61 20.697 19.559 -2.994 1257 HG3 LYS 61 HG2 LYS 61 21.180 21.263 -2.819 1258 HD2 LYS 61 HD1 LYS 61 23.128 19.813 -2.963 1259 HD3 LYS 61 HD2 LYS 61 23.037 20.604 -1.372 1260 HE2 LYS 61 HE1 LYS 61 23.765 18.346 -1.040 1261 HE3 LYS 61 HE2 LYS 61 22.100 18.481 -0.437 1262 HZ1 LYS 61 HZ1 LYS 61 22.436 16.464 -1.676 1263 HZ2 LYS 61 HZ2 LYS 61 21.354 17.436 -2.451 1264 HZ3 LYS 61 HZ3 LYS 61 22.900 17.310 -3.011 1265 H ASN 62 H ASN 62 18.138 22.474 0.197 1266 HA ASN 62 HA ASN 62 18.451 24.959 -1.387 1267 HB2 ASN 62 HB1 ASN 62 16.429 22.733 -1.785 1268 HB3 ASN 62 HB2 ASN 62 16.151 24.386 -2.375 1269 HD21 ASN 62 HD21 ASN 62 17.772 25.316 -3.831 1270 HD22 ASN 62 HD22 ASN 62 18.683 24.264 -4.894 1271 H SER 63 H SER 63 16.335 23.114 0.885 1272 HA SER 63 HA SER 63 15.902 23.663 3.005 1273 HB2 SER 63 HB1 SER 63 17.425 26.176 2.317 1274 HB3 SER 63 HB2 SER 63 16.593 26.013 3.882 1275 HG SER 63 HG SER 63 18.781 25.307 3.959 1276 H ASP 64 H ASP 64 15.136 26.540 0.985 1277 HA ASP 64 HA ASP 64 12.855 27.145 2.787 1278 HB2 ASP 64 HB1 ASP 64 14.758 28.806 2.367 1279 HB3 ASP 64 HB2 ASP 64 14.067 29.005 0.741 1280 H GLN 65 H GLN 65 12.169 25.158 1.656 1281 HA GLN 65 HA GLN 65 10.580 25.621 -0.791 1282 HB2 GLN 65 HB1 GLN 65 12.950 23.787 -0.381 1283 HB3 GLN 65 HB2 GLN 65 11.619 23.292 -1.455 1284 HG2 GLN 65 HG1 GLN 65 12.039 25.386 -2.789 1285 HG3 GLN 65 HG2 GLN 65 13.487 25.654 -1.795 1286 HE21 GLN 65 HE12 GLN 65 13.631 25.220 -4.642 1287 HE22 GLN 65 HE22 GLN 65 14.428 23.688 -4.920 1288 H GLU 66 H GLU 66 8.830 24.156 -0.890 1289 HA GLU 66 HA GLU 66 8.287 22.612 1.517 1290 HB2 GLU 66 HB1 GLU 66 6.735 23.237 -0.993 1291 HB3 GLU 66 HB2 GLU 66 6.180 21.980 0.140 1292 HG2 GLU 66 HG1 GLU 66 6.226 23.689 1.975 1293 HG3 GLU 66 HG2 GLU 66 6.638 24.925 0.767 1294 H ILE 67 H ILE 67 8.254 20.495 1.783 1295 HA ILE 67 HA ILE 67 8.342 18.680 -0.564 1296 HB ILE 67 HB ILE 67 8.975 16.981 1.397 1297 HG12 ILE 67 HG13 ILE 67 10.175 19.577 2.356 1298 HG13 ILE 67 HG12 ILE 67 9.166 18.418 3.255 1299 HG21 ILE 67 HG21 ILE 67 11.267 17.087 0.518 1300 HG22 ILE 67 HG22 ILE 67 10.056 17.263 -0.774 1301 HG23 ILE 67 HG23 ILE 67 10.928 18.694 -0.170 1302 HD11 ILE 67 HD11 ILE 67 11.538 18.244 3.929 1303 HD12 ILE 67 HD12 ILE 67 10.978 16.752 3.144 1304 HD13 ILE 67 HD13 ILE 67 11.987 17.909 2.243 1305 H ASP 68 H ASP 68 6.973 16.921 -0.518 1306 HA ASP 68 HA ASP 68 4.455 17.462 0.922 1307 HB2 ASP 68 HB1 ASP 68 3.364 16.433 -0.934 1308 HB3 ASP 68 HB2 ASP 68 4.586 17.543 -1.588 1309 H PHE 69 H PHE 69 3.032 15.460 1.085 1310 HA PHE 69 HA PHE 69 3.959 13.680 3.024 1311 HB2 PHE 69 HB1 PHE 69 1.578 14.390 2.009 1312 HB3 PHE 69 HB2 PHE 69 1.766 12.837 1.179 1313 HD1 PHE 69 HD1 PHE 69 2.163 10.728 2.647 1314 HD2 PHE 69 HD2 PHE 69 0.853 14.506 4.240 1315 HE1 PHE 69 HE1 PHE 69 1.175 9.558 4.604 1316 HE2 PHE 69 HE2 PHE 69 -0.106 13.339 6.209 1317 HZ PHE 69 HZ PHE 69 -0.011 10.859 6.357 1318 H LYS 70 H LYS 70 4.403 13.416 -0.474 1319 HA LYS 70 HA LYS 70 4.878 10.536 -0.511 1320 HB2 LYS 70 HB1 LYS 70 3.914 11.673 -2.394 1321 HB3 LYS 70 HB2 LYS 70 5.241 12.857 -2.423 1322 HG2 LYS 70 HG1 LYS 70 6.182 10.110 -2.784 1323 HG3 LYS 70 HG2 LYS 70 5.002 10.606 -4.023 1324 HD2 LYS 70 HD1 LYS 70 6.472 12.030 -5.004 1325 HD3 LYS 70 HD2 LYS 70 7.013 12.685 -3.440 1326 HE2 LYS 70 HE1 LYS 70 8.382 10.624 -3.100 1327 HE3 LYS 70 HE2 LYS 70 7.907 10.077 -4.724 1328 HZ1 LYS 70 HZ1 LYS 70 10.027 11.188 -4.748 1329 HZ2 LYS 70 HZ2 LYS 70 8.928 12.053 -5.620 1330 HZ3 LYS 70 HZ3 LYS 70 9.369 12.561 -4.114 1331 H GLU 71 H GLU 71 6.916 13.463 -0.982 1332 HA GLU 71 HA GLU 71 9.459 12.275 -0.893 1333 HB2 GLU 71 HB1 GLU 71 8.387 14.944 0.090 1334 HB3 GLU 71 HB2 GLU 71 10.118 14.535 0.105 1335 HG2 GLU 71 HG1 GLU 71 8.491 14.214 -2.423 1336 HG3 GLU 71 HG2 GLU 71 9.119 15.810 -1.957 1337 H TYR 72 H TYR 72 7.326 13.393 1.731 1338 HA TYR 72 HA TYR 72 8.915 12.714 3.958 1339 HB2 TYR 72 HB1 TYR 72 7.149 14.158 4.306 1340 HB3 TYR 72 HB2 TYR 72 6.010 13.160 3.386 1341 HD1 TYR 72 HD1 TYR 72 7.746 13.469 6.698 1342 HD2 TYR 72 HD2 TYR 72 4.620 11.574 4.427 1343 HE1 TYR 72 HE1 TYR 72 6.704 12.663 8.806 1344 HE2 TYR 72 HE2 TYR 72 3.606 10.719 6.521 1345 HH TYR 72 HH TYR 72 3.711 10.655 8.802 1346 H SER 73 H SER 73 6.387 10.697 2.328 1347 HA SER 73 HA SER 73 6.747 8.502 4.128 1348 HB2 SER 73 HB1 SER 73 5.292 7.275 2.647 1349 HB3 SER 73 HB2 SER 73 4.674 8.930 2.862 1350 HG SER 73 HG SER 73 4.600 8.227 0.686 1351 H VAL 74 H VAL 74 8.241 9.189 0.886 1352 HA VAL 74 HA VAL 74 9.622 6.660 0.911 1353 HB VAL 74 HB VAL 74 10.963 7.375 -0.904 1354 HG11 VAL 74 HG11 VAL 74 9.216 7.699 -2.594 1355 HG12 VAL 74 HG12 VAL 74 8.740 6.525 -1.351 1356 HG13 VAL 74 HG13 VAL 74 8.082 8.178 -1.315 1357 HG21 VAL 74 HG21 VAL 74 10.809 9.535 -2.058 1358 HG22 VAL 74 HG22 VAL 74 9.756 10.133 -0.764 1359 HG23 VAL 74 HG23 VAL 74 11.443 9.693 -0.410 1360 H PHE 75 H PHE 75 10.424 9.841 2.206 1361 HA PHE 75 HA PHE 75 13.211 9.253 2.715 1362 HB2 PHE 75 HB1 PHE 75 12.084 11.518 2.425 1363 HB3 PHE 75 HB2 PHE 75 11.442 11.304 4.062 1364 HD1 PHE 75 HD1 PHE 75 12.996 11.314 6.028 1365 HD2 PHE 75 HD2 PHE 75 14.368 12.134 2.036 1366 HE1 PHE 75 HE1 PHE 75 14.964 12.518 6.955 1367 HE2 PHE 75 HE2 PHE 75 16.315 13.362 2.954 1368 HZ PHE 75 HZ PHE 75 16.625 13.560 5.412 1369 H LEU 76 H LEU 76 10.194 9.146 4.746 1370 HA LEU 76 HA LEU 76 11.382 8.035 7.069 1371 HB2 LEU 76 HB1 LEU 76 8.644 7.868 5.797 1372 HB3 LEU 76 HB2 LEU 76 9.020 6.976 7.292 1373 HG LEU 76 HG LEU 76 9.349 9.990 7.012 1374 HD11 LEU 76 HD11 LEU 76 7.173 10.092 8.193 1375 HD12 LEU 76 HD12 LEU 76 7.006 9.275 6.618 1376 HD13 LEU 76 HD13 LEU 76 7.043 8.316 8.118 1377 HD21 LEU 76 HD21 LEU 76 9.333 9.908 9.489 1378 HD22 LEU 76 HD22 LEU 76 9.191 8.134 9.432 1379 HD23 LEU 76 HD23 LEU 76 10.664 8.930 8.828 1380 H THR 77 H THR 77 9.929 6.404 4.204 1381 HA THR 77 HA THR 77 10.441 3.725 4.888 1382 HB THR 77 HB THR 77 10.352 5.166 2.226 1383 HG1 THR 77 HG1 THR 77 8.286 4.179 2.265 1384 HG21 THR 77 HG21 THR 77 9.973 2.970 1.155 1385 HG22 THR 77 HG22 THR 77 11.586 3.059 1.892 1386 HG23 THR 77 HG23 THR 77 10.280 2.166 2.708 1387 H MET 78 H MET 78 12.543 6.056 3.148 1388 HA MET 78 HA MET 78 14.766 4.317 2.814 1389 HB2 MET 78 HB1 MET 78 14.232 6.438 1.606 1390 HB3 MET 78 HB2 MET 78 14.720 7.334 3.066 1391 HG2 MET 78 HG1 MET 78 16.938 6.975 2.716 1392 HG3 MET 78 HG2 MET 78 16.681 5.401 1.945 1393 HE1 MET 78 HE1 MET 78 15.920 9.475 -0.213 1394 HE2 MET 78 HE2 MET 78 14.838 8.804 1.028 1395 HE3 MET 78 HE3 MET 78 16.478 9.342 1.471 1396 H LEU 79 H LEU 79 13.990 6.592 5.492 1397 HA LEU 79 HA LEU 79 16.395 6.209 6.962 1398 HB2 LEU 79 HB1 LEU 79 14.316 7.893 7.187 1399 HB3 LEU 79 HB2 LEU 79 13.829 6.700 8.416 1400 HG LEU 79 HG LEU 79 14.957 8.327 9.622 1401 HD11 LEU 79 HD11 LEU 79 17.097 7.414 10.439 1402 HD12 LEU 79 HD12 LEU 79 15.869 6.148 10.252 1403 HD13 LEU 79 HD13 LEU 79 17.158 6.327 9.038 1404 HD21 LEU 79 HD21 LEU 79 17.070 9.401 8.921 1405 HD22 LEU 79 HD22 LEU 79 17.102 8.378 7.467 1406 HD23 LEU 79 HD23 LEU 79 15.803 9.576 7.685 1407 H CYS 80 H CYS 80 13.166 4.612 7.328 1408 HA CYS 80 HA CYS 80 13.924 2.823 9.372 1409 HB2 CYS 80 HB1 CYS 80 11.594 3.449 8.506 1410 HB3 CYS 80 HB2 CYS 80 11.863 2.237 7.228 1411 HG CYS 80 HG CYS 80 10.384 1.209 9.133 1412 H MET 81 H MET 81 14.086 2.404 5.800 1413 HA MET 81 HA MET 81 15.099 -0.264 5.906 1414 HB2 MET 81 HB1 MET 81 13.960 0.848 3.972 1415 HB3 MET 81 HB2 MET 81 15.461 1.762 3.688 1416 HG2 MET 81 HG1 MET 81 16.673 -0.163 3.106 1417 HG3 MET 81 HG2 MET 81 15.517 -1.250 3.889 1418 HE1 MET 81 HE1 MET 81 12.705 -1.784 1.440 1419 HE2 MET 81 HE2 MET 81 13.667 -2.445 2.783 1420 HE3 MET 81 HE3 MET 81 12.779 -0.916 2.991 1421 H ALA 82 H ALA 82 16.706 2.874 6.188 1422 HA ALA 82 HA ALA 82 19.360 1.833 5.969 1423 HB1 ALA 82 HB1 ALA 82 20.053 4.026 6.841 1424 HB2 ALA 82 HB2 ALA 82 18.832 4.179 5.557 1425 HB3 ALA 82 HB3 ALA 82 18.364 4.389 7.261 1426 H TYR 83 H TYR 83 17.152 1.089 8.376 1427 HA TYR 83 HA TYR 83 19.400 0.065 9.969 1428 HB2 TYR 83 HB1 TYR 83 18.268 0.532 12.067 1429 HB3 TYR 83 HB2 TYR 83 18.688 1.994 11.158 1430 HD1 TYR 83 HD1 TYR 83 15.788 -0.256 11.962 1431 HD2 TYR 83 HD2 TYR 83 17.092 3.685 10.816 1432 HE1 TYR 83 HE1 TYR 83 13.518 0.635 12.432 1433 HE2 TYR 83 HE2 TYR 83 14.888 4.614 11.481 1434 HH TYR 83 HH TYR 83 12.757 4.147 12.135 1435 H ASN 84 H ASN 84 16.919 -0.925 8.111 1436 HA ASN 84 HA ASN 84 15.730 -2.951 9.806 1437 HB2 ASN 84 HB1 ASN 84 15.411 -2.084 6.947 1438 HB3 ASN 84 HB2 ASN 84 14.681 -3.600 7.516 1439 HD21 ASN 84 HD21 ASN 84 13.091 -1.626 6.477 1440 HD22 ASN 84 HD22 ASN 84 12.104 -0.944 7.755 1441 H ASP 85 H ASP 85 18.520 -3.476 9.796 1442 HA ASP 85 HA ASP 85 19.123 -5.549 7.885 1443 HB2 ASP 85 HB1 ASP 85 20.520 -4.048 9.841 1444 HB3 ASP 85 HB2 ASP 85 20.730 -5.759 10.274 1445 H PHE 86 H PHE 86 17.261 -5.587 10.767 1446 HA PHE 86 HA PHE 86 17.756 -8.165 11.817 1447 HB2 PHE 86 HB1 PHE 86 15.253 -6.441 11.948 1448 HB3 PHE 86 HB2 PHE 86 15.665 -7.765 13.052 1449 HD1 PHE 86 HD2 PHE 86 17.709 -7.538 14.537 1450 HD2 PHE 86 HD1 PHE 86 16.093 -4.232 12.295 1451 HE1 PHE 86 HE2 PHE 86 18.963 -5.947 15.979 1452 HE2 PHE 86 HE1 PHE 86 17.370 -2.646 13.718 1453 HZ PHE 86 HZ PHE 86 18.799 -3.500 15.562 1454 H PHE 87 H PHE 87 16.553 -7.646 8.802 1455 HA PHE 87 HA PHE 87 14.958 -10.153 8.774 1456 HB2 PHE 87 HB1 PHE 87 14.412 -7.847 6.907 1457 HB3 PHE 87 HB2 PHE 87 13.345 -9.179 7.383 1458 HD1 PHE 87 HD1 PHE 87 12.581 -9.208 9.922 1459 HD2 PHE 87 HD2 PHE 87 14.207 -5.760 7.922 1460 HE1 PHE 87 HE1 PHE 87 11.710 -7.740 11.729 1461 HE2 PHE 87 HE2 PHE 87 13.370 -4.301 9.744 1462 HZ PHE 87 HZ PHE 87 12.117 -5.289 11.650 1463 H LEU 88 H LEU 88 17.838 -8.892 7.896 1464 HA LEU 88 HA LEU 88 18.007 -10.025 5.165 1465 HB2 LEU 88 HB1 LEU 88 19.614 -8.106 6.854 1466 HB3 LEU 88 HB2 LEU 88 20.374 -8.928 5.469 1467 HG LEU 88 HG LEU 88 19.588 -6.612 5.026 1468 HD11 LEU 88 HD11 LEU 88 18.597 -7.126 2.816 1469 HD12 LEU 88 HD12 LEU 88 19.938 -8.225 3.204 1470 HD13 LEU 88 HD13 LEU 88 18.255 -8.783 3.363 1471 HD21 LEU 88 HD21 LEU 88 17.193 -6.162 4.632 1472 HD22 LEU 88 HD22 LEU 88 16.798 -7.789 5.224 1473 HD23 LEU 88 HD23 LEU 88 17.511 -6.586 6.326 1474 H GLU 89 H GLU 89 20.495 -10.897 4.967 1475 HA GLU 89 HA GLU 89 20.969 -12.972 7.068 1476 HB2 GLU 89 HB1 GLU 89 20.238 -13.510 4.603 1477 HB3 GLU 89 HB2 GLU 89 21.942 -13.153 4.230 1478 HG2 GLU 89 HG1 GLU 89 22.691 -14.899 5.746 1479 HG3 GLU 89 HG2 GLU 89 21.027 -15.189 6.298 1480 H ASP 90 H ASP 90 21.836 -10.173 6.774 1481 HA ASP 90 HA ASP 90 23.466 -8.821 7.371 1482 HB2 ASP 90 HB1 ASP 90 24.016 -10.620 9.018 1483 HB3 ASP 90 HB2 ASP 90 25.239 -11.224 7.880 1484 H ASN 91 H ASN 91 24.139 -11.044 4.800 1485 HA ASN 91 HA ASN 91 26.605 -9.975 3.874 1486 HB2 ASN 91 HB1 ASN 91 24.380 -11.609 2.652 1487 HB3 ASN 91 HB2 ASN 91 25.765 -11.074 1.676 1488 HD21 ASN 91 HD21 ASN 91 25.016 -12.811 4.762 1489 HD22 ASN 91 HD22 ASN 91 26.400 -13.890 4.668 1490 H LYS 92 H LYS 92 23.429 -8.691 3.678 1491 HA LYS 92 HA LYS 92 22.705 -6.617 3.306 1492 HB2 LYS 92 HB1 LYS 92 25.322 -5.935 1.969 1493 HB3 LYS 92 HB2 LYS 92 24.015 -4.799 2.378 1494 HG2 LYS 92 HG1 LYS 92 25.565 -6.437 4.407 1495 HG3 LYS 92 HG2 LYS 92 25.949 -4.759 3.957 1496 HD2 LYS 92 HD1 LYS 92 23.878 -3.956 4.877 1497 HD3 LYS 92 HD2 LYS 92 23.267 -5.613 5.101 1498 HE2 LYS 92 HE1 LYS 92 25.847 -4.932 6.453 1499 HE3 LYS 92 HE2 LYS 92 24.378 -4.171 7.101 1500 HZ1 LYS 92 HZ1 LYS 92 24.830 -6.268 8.148 1501 HZ2 LYS 92 HZ2 LYS 92 23.415 -6.351 7.303 1502 HZ3 LYS 92 HZ3 LYS 92 24.779 -7.056 6.701 Start of MODEL 11 1 HA MET 1 HA MET 1 10.436 3.178 23.083 2 HB2 MET 1 HB1 MET 1 12.406 4.458 21.201 3 HB3 MET 1 HB2 MET 1 11.334 5.454 22.212 4 HG2 MET 1 HG1 MET 1 12.175 4.429 24.231 5 HG3 MET 1 HG2 MET 1 13.101 3.239 23.301 6 HE1 MET 1 HE1 MET 1 14.157 7.758 23.682 7 HE2 MET 1 HE2 MET 1 12.717 7.185 22.814 8 HE3 MET 1 HE3 MET 1 12.851 6.947 24.572 9 H GLU 2 H GLU 2 8.367 4.028 22.910 10 HA GLU 2 HA GLU 2 7.325 3.080 20.298 11 HB2 GLU 2 HB1 GLU 2 6.324 2.948 23.149 12 HB3 GLU 2 HB2 GLU 2 5.269 2.592 21.760 13 HG2 GLU 2 HG1 GLU 2 6.252 0.530 22.654 14 HG3 GLU 2 HG2 GLU 2 6.830 0.847 21.005 15 H THR 3 H THR 3 7.730 5.164 19.434 16 HA THR 3 HA THR 3 5.979 7.365 20.201 17 HB THR 3 HB THR 3 7.238 8.696 18.939 18 HG1 THR 3 HG1 THR 3 7.989 8.094 16.868 19 HG21 THR 3 HG21 THR 3 9.592 8.052 18.565 20 HG22 THR 3 HG22 THR 3 9.011 7.529 20.157 21 HG23 THR 3 HG23 THR 3 9.155 6.353 18.828 22 HA PRO 4 HA PRO 4 2.654 6.451 17.413 23 HB2 PRO 4 HB1 PRO 4 1.976 8.848 16.247 24 HB3 PRO 4 HB2 PRO 4 1.622 8.428 17.953 25 HG2 PRO 4 HG1 PRO 4 3.907 10.073 16.882 26 HG3 PRO 4 HG2 PRO 4 2.856 10.426 18.291 27 HD2 PRO 4 HD1 PRO 4 5.346 9.292 18.540 28 HD3 PRO 4 HD2 PRO 4 3.995 8.849 19.627 29 H LEU 5 H LEU 5 5.085 8.649 15.796 30 HA LEU 5 HA LEU 5 4.449 7.692 13.187 31 HB2 LEU 5 HB1 LEU 5 5.537 9.853 13.720 32 HB3 LEU 5 HB2 LEU 5 7.012 8.972 14.181 33 HG LEU 5 HG LEU 5 7.281 8.158 11.894 34 HD11 LEU 5 HD11 LEU 5 5.808 8.939 10.064 35 HD12 LEU 5 HD12 LEU 5 4.901 7.984 11.260 36 HD13 LEU 5 HD13 LEU 5 4.770 9.758 11.253 37 HD21 LEU 5 HD21 LEU 5 7.758 10.329 10.796 38 HD22 LEU 5 HD22 LEU 5 6.743 11.160 12.001 39 HD23 LEU 5 HD23 LEU 5 8.246 10.352 12.508 40 H GLU 6 H GLU 6 7.039 6.716 15.472 41 HA GLU 6 HA GLU 6 8.307 4.753 13.901 42 HB2 GLU 6 HB1 GLU 6 8.745 5.776 16.303 43 HB3 GLU 6 HB2 GLU 6 7.808 4.362 16.844 44 HG2 GLU 6 HG1 GLU 6 9.895 3.469 16.971 45 HG3 GLU 6 HG2 GLU 6 9.546 3.091 15.269 46 H LYS 7 H LYS 7 5.413 4.458 16.052 47 HA LYS 7 HA LYS 7 4.990 1.686 15.585 48 HB2 LYS 7 HB1 LYS 7 4.064 2.777 17.487 49 HB3 LYS 7 HB2 LYS 7 3.198 3.956 16.472 50 HG2 LYS 7 HG1 LYS 7 2.537 1.038 16.225 51 HG3 LYS 7 HG2 LYS 7 1.915 1.968 17.610 52 HD2 LYS 7 HD1 LYS 7 0.408 3.077 16.321 53 HD3 LYS 7 HD2 LYS 7 1.606 3.382 15.040 54 HE2 LYS 7 HE1 LYS 7 -0.096 1.991 14.095 55 HE3 LYS 7 HE2 LYS 7 1.340 0.973 14.344 56 HZ1 LYS 7 HZ1 LYS 7 -0.661 -0.124 15.046 57 HZ2 LYS 7 HZ2 LYS 7 0.326 0.142 16.340 58 HZ3 LYS 7 HZ3 LYS 7 -1.006 1.086 16.109 59 H ALA 8 H ALA 8 4.062 4.521 13.610 60 HA ALA 8 HA ALA 8 2.083 3.218 12.033 61 HB1 ALA 8 HB1 ALA 8 2.454 5.086 10.469 62 HB2 ALA 8 HB2 ALA 8 2.362 5.660 12.152 63 HB3 ALA 8 HB3 ALA 8 3.941 5.526 11.345 64 H LEU 9 H LEU 9 5.623 3.690 11.425 65 HA LEU 9 HA LEU 9 5.814 2.004 9.171 66 HB2 LEU 9 HB1 LEU 9 7.758 2.721 11.366 67 HB3 LEU 9 HB2 LEU 9 8.197 1.602 10.054 68 HG LEU 9 HG LEU 9 9.105 3.725 9.560 69 HD11 LEU 9 HD11 LEU 9 8.098 4.261 7.373 70 HD12 LEU 9 HD12 LEU 9 8.212 2.508 7.633 71 HD13 LEU 9 HD13 LEU 9 6.648 3.338 7.822 72 HD21 LEU 9 HD21 LEU 9 7.804 5.804 9.316 73 HD22 LEU 9 HD22 LEU 9 6.342 4.941 9.835 74 HD23 LEU 9 HD23 LEU 9 7.701 5.152 10.964 75 H THR 10 H THR 10 5.849 1.146 12.703 76 HA THR 10 HA THR 10 6.498 -1.579 12.397 77 HB THR 10 HB THR 10 4.510 -0.570 14.439 78 HG1 THR 10 HG1 THR 10 6.364 -0.147 15.708 79 HG21 THR 10 HG21 THR 10 5.537 -2.343 15.829 80 HG22 THR 10 HG22 THR 10 4.870 -3.011 14.321 81 HG23 THR 10 HG23 THR 10 6.624 -2.761 14.484 82 H THR 11 H THR 11 3.233 -0.026 12.317 83 HA THR 11 HA THR 11 1.773 -2.375 11.763 84 HB THR 11 HB THR 11 0.391 -0.399 10.394 85 HG1 THR 11 HG1 THR 11 0.493 1.348 11.877 86 HG21 THR 11 HG21 THR 11 -1.002 -0.338 12.448 87 HG22 THR 11 HG22 THR 11 -0.510 -2.000 12.057 88 HG23 THR 11 HG23 THR 11 0.315 -1.110 13.359 89 H MET 12 H MET 12 3.420 -0.147 9.454 90 HA MET 12 HA MET 12 2.391 -1.431 7.123 91 HB2 MET 12 HB1 MET 12 4.900 0.222 7.560 92 HB3 MET 12 HB2 MET 12 4.364 -0.353 5.963 93 HG2 MET 12 HG1 MET 12 2.259 0.887 6.213 94 HG3 MET 12 HG2 MET 12 2.756 1.433 7.822 95 HE1 MET 12 HE1 MET 12 3.118 3.832 4.208 96 HE2 MET 12 HE2 MET 12 2.676 2.113 4.106 97 HE3 MET 12 HE3 MET 12 1.794 3.195 5.211 98 H VAL 13 H VAL 13 5.440 -2.029 8.975 99 HA VAL 13 HA VAL 13 6.270 -4.113 7.149 100 HB VAL 13 HB VAL 13 7.952 -4.764 8.785 101 HG11 VAL 13 HG11 VAL 13 9.311 -2.695 8.725 102 HG12 VAL 13 HG12 VAL 13 8.455 -2.964 7.193 103 HG13 VAL 13 HG13 VAL 13 7.849 -1.758 8.353 104 HG21 VAL 13 HG21 VAL 13 8.359 -3.486 10.858 105 HG22 VAL 13 HG22 VAL 13 6.866 -2.570 10.573 106 HG23 VAL 13 HG23 VAL 13 6.794 -4.319 10.893 107 H THR 14 H THR 14 4.223 -4.063 10.022 108 HA THR 14 HA THR 14 4.410 -6.842 10.696 109 HB THR 14 HB THR 14 2.384 -4.689 11.358 110 HG1 THR 14 HG1 THR 14 3.530 -4.893 13.350 111 HG21 THR 14 HG21 THR 14 1.597 -6.153 13.207 112 HG22 THR 14 HG22 THR 14 1.265 -6.886 11.624 113 HG23 THR 14 HG23 THR 14 2.638 -7.458 12.604 114 H THR 15 H THR 15 2.256 -5.039 8.507 115 HA THR 15 HA THR 15 0.669 -7.376 7.804 116 HB THR 15 HB THR 15 0.007 -5.730 5.877 117 HG1 THR 15 HG1 THR 15 0.395 -3.570 6.521 118 HG21 THR 15 HG21 THR 15 -1.551 -4.589 7.427 119 HG22 THR 15 HG22 THR 15 -1.406 -6.318 7.820 120 HG23 THR 15 HG23 THR 15 -0.554 -5.106 8.808 121 H PHE 16 H PHE 16 2.930 -5.324 5.911 122 HA PHE 16 HA PHE 16 3.216 -6.791 3.612 123 HB2 PHE 16 HB1 PHE 16 4.019 -4.512 4.222 124 HB3 PHE 16 HB2 PHE 16 5.353 -5.261 5.118 125 HD1 PHE 16 HD2 PHE 16 7.257 -6.238 3.968 126 HD2 PHE 16 HD1 PHE 16 4.082 -4.356 1.765 127 HE1 PHE 16 HE2 PHE 16 8.754 -5.971 2.019 128 HE2 PHE 16 HE1 PHE 16 5.653 -3.896 -0.104 129 HZ PHE 16 HZ PHE 16 8.013 -4.688 0.019 130 H HIS 17 H HIS 17 5.212 -7.352 6.617 131 HA HIS 17 HA HIS 17 6.781 -9.379 5.329 132 HB2 HIS 17 HB1 HIS 17 7.439 -7.948 7.291 133 HB3 HIS 17 HB2 HIS 17 6.417 -8.988 8.302 134 HD1 HIS 17 HD1 HIS 17 7.263 -11.773 8.054 135 HD2 HIS 17 HD2 HIS 17 9.942 -8.651 7.252 136 HE1 HIS 17 HE1 HIS 17 9.604 -12.772 8.231 137 HE2 HIS 17 HE2 HIS 17 11.266 -10.872 7.779 138 H LYS 18 H LYS 18 3.520 -9.693 6.697 139 HA LYS 18 HA LYS 18 3.644 -12.571 6.898 140 HB2 LYS 18 HB1 LYS 18 1.305 -10.720 6.328 141 HB3 LYS 18 HB2 LYS 18 1.164 -12.462 6.667 142 HG2 LYS 18 HG1 LYS 18 2.199 -12.087 8.898 143 HG3 LYS 18 HG2 LYS 18 2.258 -10.341 8.557 144 HD2 LYS 18 HD1 LYS 18 -0.185 -10.266 8.347 145 HD3 LYS 18 HD2 LYS 18 -0.282 -12.028 8.575 146 HE2 LYS 18 HE1 LYS 18 -0.827 -11.102 10.689 147 HE3 LYS 18 HE2 LYS 18 0.857 -11.646 10.841 148 HZ1 LYS 18 HZ1 LYS 18 0.541 -9.464 11.761 149 HZ2 LYS 18 HZ2 LYS 18 1.553 -9.390 10.461 150 HZ3 LYS 18 HZ3 LYS 18 -0.011 -8.885 10.319 151 H TYR 19 H TYR 19 3.922 -10.540 4.242 152 HA TYR 19 HA TYR 19 3.155 -12.626 2.274 153 HB2 TYR 19 HB1 TYR 19 3.228 -9.612 1.979 154 HB3 TYR 19 HB2 TYR 19 2.808 -10.767 0.705 155 HD1 TYR 19 HD2 TYR 19 1.697 -9.743 4.170 156 HD2 TYR 19 HD1 TYR 19 0.515 -11.229 0.318 157 HE1 TYR 19 HE2 TYR 19 -0.682 -9.537 4.826 158 HE2 TYR 19 HE1 TYR 19 -1.862 -10.885 0.909 159 HH TYR 19 HH TYR 19 -2.857 -9.597 4.121 160 H SER 20 H SER 20 5.671 -10.130 3.059 161 HA SER 20 HA SER 20 7.636 -11.031 1.207 162 HB2 SER 20 HB1 SER 20 8.327 -9.987 3.967 163 HB3 SER 20 HB2 SER 20 9.166 -9.704 2.423 164 HG SER 20 HG SER 20 7.952 -7.894 3.120 165 H GLY 21 H GLY 21 7.073 -11.956 4.654 166 HA2 GLY 21 HA2 GLY 21 9.091 -13.595 4.145 167 H ARG 22 H ARG 22 6.949 -14.309 3.089 168 HA ARG 22 HA ARG 22 6.854 -17.155 3.433 169 HB2 ARG 22 HB1 ARG 22 6.354 -15.353 1.023 170 HB3 ARG 22 HB2 ARG 22 5.916 -17.076 1.122 171 HG2 ARG 22 HG1 ARG 22 4.386 -16.619 2.970 172 HG3 ARG 22 HG2 ARG 22 4.881 -14.909 2.993 173 HD2 ARG 22 HD1 ARG 22 3.971 -14.675 0.665 174 HD3 ARG 22 HD2 ARG 22 3.362 -16.340 0.778 175 HE ARG 22 HE ARG 22 2.538 -14.888 3.081 176 HH11 ARG 22 HH12 ARG 22 1.685 -15.035 -0.354 177 HH12 ARG 22 HH11 ARG 22 0.078 -14.426 -0.064 178 HH21 ARG 22 HH22 ARG 22 0.523 -14.093 3.368 179 HH22 ARG 22 HH21 ARG 22 -0.568 -13.901 2.014 180 H GLU 23 H GLU 23 9.278 -15.040 2.230 181 HA GLU 23 HA GLU 23 11.092 -17.289 1.757 182 HB2 GLU 23 HB1 GLU 23 9.999 -15.659 -0.391 183 HB3 GLU 23 HB2 GLU 23 11.761 -15.438 -0.267 184 HG2 GLU 23 HG1 GLU 23 10.419 -18.157 -0.413 185 HG3 GLU 23 HG2 GLU 23 10.983 -17.264 -1.842 186 H GLY 24 H GLY 24 13.367 -15.969 1.146 187 HA2 GLY 24 HA2 GLY 24 13.355 -14.306 3.199 188 H SER 25 H SER 25 12.824 -13.303 0.747 189 HA SER 25 HA SER 25 14.489 -10.907 0.773 190 HB2 SER 25 HB1 SER 25 13.076 -10.255 -1.144 191 HB3 SER 25 HB2 SER 25 13.796 -11.872 -1.331 192 HG SER 25 HG SER 25 11.566 -11.822 -1.886 193 H LYS 26 H LYS 26 13.943 -10.346 3.106 194 HA LYS 26 HA LYS 26 11.141 -10.327 3.806 195 HB2 LYS 26 HB1 LYS 26 13.729 -9.870 5.293 196 HB3 LYS 26 HB2 LYS 26 12.144 -9.723 6.092 197 HG2 LYS 26 HG1 LYS 26 11.585 -12.018 5.537 198 HG3 LYS 26 HG2 LYS 26 13.047 -12.179 4.535 199 HD2 LYS 26 HD1 LYS 26 12.923 -11.887 7.555 200 HD3 LYS 26 HD2 LYS 26 13.350 -13.350 6.636 201 HE2 LYS 26 HE1 LYS 26 14.946 -10.767 6.727 202 HE3 LYS 26 HE2 LYS 26 15.330 -12.265 7.603 203 HZ1 LYS 26 HZ1 LYS 26 16.647 -12.031 5.620 204 HZ2 LYS 26 HZ2 LYS 26 15.655 -13.339 5.494 205 HZ3 LYS 26 HZ3 LYS 26 15.298 -11.949 4.681 206 H LEU 27 H LEU 27 12.693 -7.975 2.222 207 HA LEU 27 HA LEU 27 10.842 -5.858 3.163 208 HB2 LEU 27 HB1 LEU 27 13.720 -5.741 2.263 209 HB3 LEU 27 HB2 LEU 27 12.660 -4.325 2.067 210 HG LEU 27 HG LEU 27 12.805 -5.735 4.727 211 HD11 LEU 27 HD11 LEU 27 14.694 -4.287 5.386 212 HD12 LEU 27 HD12 LEU 27 15.143 -5.371 4.049 213 HD13 LEU 27 HD13 LEU 27 14.791 -3.657 3.724 214 HD21 LEU 27 HD21 LEU 27 12.324 -3.478 5.613 215 HD22 LEU 27 HD22 LEU 27 12.380 -2.822 3.961 216 HD23 LEU 27 HD23 LEU 27 11.107 -3.980 4.417 217 H THR 28 H THR 28 11.188 -8.028 0.668 218 HA THR 28 HA THR 28 9.855 -6.170 -1.232 219 HB THR 28 HB THR 28 10.462 -7.545 -3.042 220 HG1 THR 28 HG1 THR 28 11.524 -9.544 -2.724 221 HG21 THR 28 HG21 THR 28 12.929 -7.669 -2.977 222 HG22 THR 28 HG22 THR 28 12.332 -6.153 -2.272 223 HG23 THR 28 HG23 THR 28 12.883 -7.472 -1.212 224 H LEU 29 H LEU 29 8.296 -7.420 -2.719 225 HA LEU 29 HA LEU 29 7.473 -10.060 -2.217 226 HB2 LEU 29 HB1 LEU 29 5.234 -9.958 -1.593 227 HB3 LEU 29 HB2 LEU 29 6.103 -8.925 -0.430 228 HG LEU 29 HG LEU 29 4.316 -8.034 -2.713 229 HD11 LEU 29 HD11 LEU 29 2.944 -7.110 -0.857 230 HD12 LEU 29 HD12 LEU 29 3.175 -8.865 -0.672 231 HD13 LEU 29 HD13 LEU 29 4.124 -7.733 0.321 232 HD21 LEU 29 HD21 LEU 29 4.679 -5.713 -1.937 233 HD22 LEU 29 HD22 LEU 29 5.875 -6.300 -0.760 234 HD23 LEU 29 HD23 LEU 29 6.194 -6.450 -2.506 235 H SER 30 H SER 30 5.762 -10.726 -3.977 236 HA SER 30 HA SER 30 6.622 -9.423 -6.404 237 HB2 SER 30 HB1 SER 30 5.447 -11.087 -7.609 238 HB3 SER 30 HB2 SER 30 6.177 -11.880 -6.193 239 HG SER 30 HG SER 30 3.998 -12.522 -6.547 240 H ARG 31 H ARG 31 5.239 -8.458 -8.113 241 HA ARG 31 HA ARG 31 3.575 -6.443 -6.981 242 HB2 ARG 31 HB1 ARG 31 3.215 -7.008 -9.867 243 HB3 ARG 31 HB2 ARG 31 3.433 -5.465 -9.003 244 HG2 ARG 31 HG1 ARG 31 5.903 -6.573 -8.707 245 HG3 ARG 31 HG2 ARG 31 5.421 -7.239 -10.286 246 HD2 ARG 31 HD1 ARG 31 5.602 -5.233 -11.326 247 HD3 ARG 31 HD2 ARG 31 4.912 -4.341 -9.953 248 HE ARG 31 HE ARG 31 7.671 -5.423 -9.776 249 HH11 ARG 31 HH12 ARG 31 5.816 -2.424 -10.254 250 HH12 ARG 31 HH11 ARG 31 7.068 -1.451 -9.537 251 HH21 ARG 31 HH22 ARG 31 9.074 -4.151 -8.687 252 HH22 ARG 31 HH21 ARG 31 8.870 -2.413 -8.669 253 H LYS 32 H LYS 32 2.814 -9.506 -8.569 254 HA LYS 32 HA LYS 32 0.007 -9.483 -8.535 255 HB2 LYS 32 HB1 LYS 32 1.799 -11.155 -9.427 256 HB3 LYS 32 HB2 LYS 32 1.749 -11.851 -7.790 257 HG2 LYS 32 HG1 LYS 32 0.307 -13.180 -9.111 258 HG3 LYS 32 HG2 LYS 32 -0.749 -12.145 -8.121 259 HD2 LYS 32 HD1 LYS 32 -1.614 -12.323 -10.402 260 HD3 LYS 32 HD2 LYS 32 -1.097 -10.655 -10.066 261 HE2 LYS 32 HE1 LYS 32 1.075 -11.144 -11.196 262 HE3 LYS 32 HE2 LYS 32 0.466 -12.761 -11.608 263 HZ1 LYS 32 HZ1 LYS 32 0.226 -11.233 -13.422 264 HZ2 LYS 32 HZ2 LYS 32 -1.255 -11.718 -12.885 265 HZ3 LYS 32 HZ3 LYS 32 -0.689 -10.217 -12.504 266 H GLU 33 H GLU 33 2.301 -10.196 -5.868 267 HA GLU 33 HA GLU 33 0.247 -10.959 -3.981 268 HB2 GLU 33 HB1 GLU 33 2.614 -11.777 -4.005 269 HB3 GLU 33 HB2 GLU 33 3.135 -10.149 -3.510 270 HG2 GLU 33 HG1 GLU 33 3.075 -11.257 -1.489 271 HG3 GLU 33 HG2 GLU 33 1.467 -10.501 -1.536 272 H LEU 34 H LEU 34 2.236 -7.910 -4.425 273 HA LEU 34 HA LEU 34 1.220 -6.556 -2.175 274 HB2 LEU 34 HB1 LEU 34 3.131 -5.657 -3.369 275 HB3 LEU 34 HB2 LEU 34 2.154 -5.415 -4.838 276 HG LEU 34 HG LEU 34 0.759 -3.777 -3.652 277 HD11 LEU 34 HD11 LEU 34 1.371 -2.887 -1.425 278 HD12 LEU 34 HD12 LEU 34 0.971 -4.615 -1.352 279 HD13 LEU 34 HD13 LEU 34 2.672 -4.089 -1.313 280 HD21 LEU 34 HD21 LEU 34 2.364 -1.913 -3.413 281 HD22 LEU 34 HD22 LEU 34 3.698 -3.083 -3.358 282 HD23 LEU 34 HD23 LEU 34 2.724 -2.908 -4.838 283 H LYS 35 H LYS 35 -0.053 -6.671 -5.537 284 HA LYS 35 HA LYS 35 -2.161 -4.850 -4.970 285 HB2 LYS 35 HB1 LYS 35 -3.049 -5.327 -7.053 286 HB3 LYS 35 HB2 LYS 35 -1.274 -5.274 -7.168 287 HG2 LYS 35 HG1 LYS 35 -1.758 -6.874 -8.650 288 HG3 LYS 35 HG2 LYS 35 -1.462 -7.844 -7.187 289 HD2 LYS 35 HD1 LYS 35 -4.250 -7.146 -8.080 290 HD3 LYS 35 HD2 LYS 35 -3.359 -8.525 -8.768 291 HE2 LYS 35 HE1 LYS 35 -3.053 -9.309 -6.343 292 HE3 LYS 35 HE2 LYS 35 -4.299 -8.112 -5.926 293 HZ1 LYS 35 HZ1 LYS 35 -5.231 -10.279 -6.274 294 HZ2 LYS 35 HZ2 LYS 35 -5.784 -9.231 -7.419 295 HZ3 LYS 35 HZ3 LYS 35 -4.629 -10.343 -7.806 296 H GLU 36 H GLU 36 -1.847 -8.174 -4.076 297 HA GLU 36 HA GLU 36 -4.667 -8.342 -3.290 298 HB2 GLU 36 HB1 GLU 36 -3.156 -10.236 -4.208 299 HB3 GLU 36 HB2 GLU 36 -2.450 -10.276 -2.575 300 HG2 GLU 36 HG1 GLU 36 -4.260 -11.905 -2.736 301 HG3 GLU 36 HG2 GLU 36 -4.719 -10.596 -1.624 302 H LEU 37 H LEU 37 -1.475 -7.972 -1.625 303 HA LEU 37 HA LEU 37 -2.250 -8.065 1.043 304 HB2 LEU 37 HB1 LEU 37 0.026 -7.963 0.492 305 HB3 LEU 37 HB2 LEU 37 -0.179 -6.491 -0.488 306 HG LEU 37 HG LEU 37 -0.570 -5.199 1.572 307 HD11 LEU 37 HD11 LEU 37 0.040 -6.091 3.794 308 HD12 LEU 37 HD12 LEU 37 -1.354 -6.947 3.107 309 HD13 LEU 37 HD13 LEU 37 0.260 -7.698 3.074 310 HD21 LEU 37 HD21 LEU 37 1.786 -5.198 2.362 311 HD22 LEU 37 HD22 LEU 37 2.034 -6.782 1.596 312 HD23 LEU 37 HD23 LEU 37 1.697 -5.350 0.594 313 H ILE 38 H ILE 38 -2.365 -5.111 -1.075 314 HA ILE 38 HA ILE 38 -3.147 -3.359 1.001 315 HB ILE 38 HB ILE 38 -3.619 -3.163 -1.994 316 HG12 ILE 38 HG13 ILE 38 -1.450 -1.989 -0.211 317 HG13 ILE 38 HG12 ILE 38 -1.257 -3.404 -1.273 318 HG21 ILE 38 HG21 ILE 38 -3.900 -0.732 -1.630 319 HG22 ILE 38 HG22 ILE 38 -5.156 -1.664 -0.781 320 HG23 ILE 38 HG23 ILE 38 -3.785 -0.983 0.129 321 HD11 ILE 38 HD11 ILE 38 -0.292 -1.375 -2.311 322 HD12 ILE 38 HD12 ILE 38 -1.675 -1.985 -3.244 323 HD13 ILE 38 HD13 ILE 38 -1.869 -0.569 -2.183 324 H LYS 39 H LYS 39 -5.289 -5.115 -1.319 325 HA LYS 39 HA LYS 39 -7.715 -4.058 -0.219 326 HB2 LYS 39 HB1 LYS 39 -6.980 -6.295 -2.111 327 HB3 LYS 39 HB2 LYS 39 -8.669 -5.967 -1.653 328 HG2 LYS 39 HG1 LYS 39 -6.834 -3.869 -2.845 329 HG3 LYS 39 HG2 LYS 39 -7.862 -4.935 -3.833 330 HD2 LYS 39 HD1 LYS 39 -9.025 -3.165 -1.666 331 HD3 LYS 39 HD2 LYS 39 -8.728 -2.562 -3.314 332 HE2 LYS 39 HE1 LYS 39 -10.162 -4.415 -4.202 333 HE3 LYS 39 HE2 LYS 39 -10.527 -4.889 -2.529 334 HZ1 LYS 39 HZ1 LYS 39 -12.231 -3.494 -3.450 335 HZ2 LYS 39 HZ2 LYS 39 -11.488 -2.726 -2.194 336 HZ3 LYS 39 HZ3 LYS 39 -11.148 -2.286 -3.746 337 H LYS 40 H LYS 40 -5.646 -6.508 1.068 338 HA LYS 40 HA LYS 40 -7.767 -7.488 2.871 339 HB2 LYS 40 HB1 LYS 40 -4.946 -8.205 2.187 340 HB3 LYS 40 HB2 LYS 40 -5.494 -8.554 3.845 341 HG2 LYS 40 HG1 LYS 40 -5.747 -10.492 2.406 342 HG3 LYS 40 HG2 LYS 40 -7.325 -9.897 2.973 343 HD2 LYS 40 HD1 LYS 40 -7.792 -8.924 0.793 344 HD3 LYS 40 HD2 LYS 40 -6.168 -9.364 0.213 345 HE2 LYS 40 HE1 LYS 40 -6.647 -11.731 0.514 346 HE3 LYS 40 HE2 LYS 40 -8.210 -11.358 1.272 347 HZ1 LYS 40 HZ1 LYS 40 -8.460 -11.969 -1.026 348 HZ2 LYS 40 HZ2 LYS 40 -8.916 -10.399 -0.805 349 HZ3 LYS 40 HZ3 LYS 40 -7.466 -10.745 -1.510 350 H GLU 41 H GLU 41 -5.011 -5.214 2.901 351 HA GLU 41 HA GLU 41 -4.864 -4.936 5.749 352 HB2 GLU 41 HB1 GLU 41 -3.948 -3.243 3.407 353 HB3 GLU 41 HB2 GLU 41 -3.631 -2.788 5.097 354 HG2 GLU 41 HG1 GLU 41 -2.425 -4.990 5.364 355 HG3 GLU 41 HG2 GLU 41 -2.587 -5.216 3.609 356 H LEU 42 H LEU 42 -7.070 -3.408 3.427 357 HA LEU 42 HA LEU 42 -7.599 -1.189 5.309 358 HB2 LEU 42 HB1 LEU 42 -5.660 -0.958 3.395 359 HB3 LEU 42 HB2 LEU 42 -7.087 -0.353 2.518 360 HG LEU 42 HG LEU 42 -5.970 0.725 5.119 361 HD11 LEU 42 HD11 LEU 42 -5.383 2.711 3.759 362 HD12 LEU 42 HD12 LEU 42 -4.601 1.241 3.134 363 HD13 LEU 42 HD13 LEU 42 -6.032 1.907 2.312 364 HD21 LEU 42 HD21 LEU 42 -7.584 2.586 4.912 365 HD22 LEU 42 HD22 LEU 42 -8.293 1.801 3.486 366 HD23 LEU 42 HD23 LEU 42 -8.408 1.023 5.083 367 H CYS 43 H CYS 43 -9.525 -0.263 5.127 368 HA CYS 43 HA CYS 43 -11.633 -1.932 4.134 369 HB2 CYS 43 HB1 CYS 43 -13.041 -0.123 5.330 370 HB3 CYS 43 HB2 CYS 43 -11.972 -1.177 6.289 371 HG CYS 43 HG CYS 43 -11.972 1.247 7.300 372 H LEU 44 H LEU 44 -10.804 -1.421 1.798 373 HA LEU 44 HA LEU 44 -12.542 0.727 0.728 374 HB2 LEU 44 HB1 LEU 44 -10.171 -0.667 -0.542 375 HB3 LEU 44 HB2 LEU 44 -11.238 0.482 -1.384 376 HG LEU 44 HG LEU 44 -10.590 1.918 0.848 377 HD11 LEU 44 HD11 LEU 44 -8.152 1.725 1.213 378 HD12 LEU 44 HD12 LEU 44 -8.993 0.218 1.642 379 HD13 LEU 44 HD13 LEU 44 -8.101 0.335 0.106 380 HD21 LEU 44 HD21 LEU 44 -9.013 3.162 -0.591 381 HD22 LEU 44 HD22 LEU 44 -8.975 1.794 -1.725 382 HD23 LEU 44 HD23 LEU 44 -10.482 2.708 -1.482 383 H GLY 45 H GLY 45 -14.485 -0.422 0.936 384 HA2 GLY 45 HA2 GLY 45 -14.629 -1.424 -1.466 385 H GLU 46 H GLU 46 -17.182 -0.187 0.316 386 HA GLU 46 HA GLU 46 -18.236 1.311 -1.859 387 HB2 GLU 46 HB1 GLU 46 -19.469 2.488 -0.035 388 HB3 GLU 46 HB2 GLU 46 -19.618 0.716 -0.011 389 HG2 GLU 46 HG1 GLU 46 -17.559 2.066 1.723 390 HG3 GLU 46 HG2 GLU 46 -19.263 2.048 2.223 391 H MET 47 H MET 47 -15.873 2.052 -2.529 392 HA MET 47 HA MET 47 -14.893 4.432 -1.156 393 HB2 MET 47 HB1 MET 47 -14.439 1.856 -0.067 394 HB3 MET 47 HB2 MET 47 -12.903 2.345 -0.821 395 HG2 MET 47 HG1 MET 47 -14.458 4.182 0.994 396 HG3 MET 47 HG2 MET 47 -13.309 2.993 1.629 397 HE1 MET 47 HE1 MET 47 -10.527 5.234 2.160 398 HE2 MET 47 HE2 MET 47 -12.102 4.860 2.906 399 HE3 MET 47 HE3 MET 47 -11.098 3.547 2.245 400 H LYS 48 H LYS 48 -12.141 4.128 -1.795 401 HA LYS 48 HA LYS 48 -12.121 4.624 -4.612 402 HB2 LYS 48 HB1 LYS 48 -10.303 4.786 -2.336 403 HB3 LYS 48 HB2 LYS 48 -9.481 4.232 -3.814 404 HG2 LYS 48 HG1 LYS 48 -9.383 6.637 -3.655 405 HG3 LYS 48 HG2 LYS 48 -10.385 6.139 -5.039 406 HD2 LYS 48 HD1 LYS 48 -11.244 8.125 -3.887 407 HD3 LYS 48 HD2 LYS 48 -12.391 6.765 -3.887 408 HE2 LYS 48 HE1 LYS 48 -12.226 6.449 -1.600 409 HE3 LYS 48 HE2 LYS 48 -10.625 7.214 -1.499 410 HZ1 LYS 48 HZ1 LYS 48 -12.345 8.629 -0.614 411 HZ2 LYS 48 HZ2 LYS 48 -11.675 9.323 -1.953 412 HZ3 LYS 48 HZ3 LYS 48 -13.162 8.613 -2.046 413 H GLU 49 H GLU 49 -12.609 3.098 -5.980 414 HA GLU 49 HA GLU 49 -10.659 0.874 -6.284 415 HB2 GLU 49 HB1 GLU 49 -13.617 0.805 -6.982 416 HB3 GLU 49 HB2 GLU 49 -12.429 -0.451 -7.406 417 HG2 GLU 49 HG1 GLU 49 -11.966 -0.611 -4.872 418 HG3 GLU 49 HG2 GLU 49 -13.462 0.324 -4.663 419 H SER 50 H SER 50 -13.105 2.877 -8.086 420 HA SER 50 HA SER 50 -11.937 2.704 -10.627 421 HB2 SER 50 HB1 SER 50 -13.275 5.188 -9.495 422 HB3 SER 50 HB2 SER 50 -13.261 4.624 -11.183 423 HG SER 50 HG SER 50 -15.235 4.142 -10.102 424 H SER 51 H SER 51 -10.242 3.639 -11.659 425 HA SER 51 HA SER 51 -8.461 4.838 -12.222 426 HB2 SER 51 HB1 SER 51 -8.035 7.068 -11.525 427 HB3 SER 51 HB2 SER 51 -9.792 6.851 -11.711 428 HG SER 51 HG SER 51 -9.236 8.041 -9.830 429 H ILE 52 H ILE 52 -8.568 4.471 -8.584 430 HA ILE 52 HA ILE 52 -5.756 3.894 -8.571 431 HB ILE 52 HB ILE 52 -5.922 3.067 -6.410 432 HG12 ILE 52 HG13 ILE 52 -8.080 2.954 -5.131 433 HG13 ILE 52 HG12 ILE 52 -8.917 2.881 -6.701 434 HG21 ILE 52 HG21 ILE 52 -7.021 4.997 -5.287 435 HG22 ILE 52 HG22 ILE 52 -6.147 5.504 -6.748 436 HG23 ILE 52 HG23 ILE 52 -7.919 5.344 -6.780 437 HD11 ILE 52 HD11 ILE 52 -8.647 0.618 -5.726 438 HD12 ILE 52 HD12 ILE 52 -7.729 0.788 -7.236 439 HD13 ILE 52 HD13 ILE 52 -6.890 0.862 -5.669 440 H ASP 53 H ASP 53 -8.434 2.132 -9.723 441 HA ASP 53 HA ASP 53 -7.453 -0.428 -10.125 442 HB2 ASP 53 HB1 ASP 53 -9.712 0.382 -10.685 443 HB3 ASP 53 HB2 ASP 53 -9.039 1.379 -11.993 444 H ASP 54 H ASP 54 -6.564 2.539 -12.193 445 HA ASP 54 HA ASP 54 -4.855 0.797 -13.745 446 HB2 ASP 54 HB1 ASP 54 -5.481 2.943 -14.765 447 HB3 ASP 54 HB2 ASP 54 -4.546 3.806 -13.526 448 H LEU 55 H LEU 55 -4.336 2.771 -10.776 449 HA LEU 55 HA LEU 55 -1.548 2.362 -10.615 450 HB2 LEU 55 HB1 LEU 55 -3.465 2.374 -8.279 451 HB3 LEU 55 HB2 LEU 55 -1.715 2.698 -8.242 452 HG LEU 55 HG LEU 55 -3.811 4.422 -9.608 453 HD11 LEU 55 HD11 LEU 55 -3.323 6.010 -7.764 454 HD12 LEU 55 HD12 LEU 55 -3.937 4.464 -7.133 455 HD13 LEU 55 HD13 LEU 55 -2.198 4.832 -7.049 456 HD21 LEU 55 HD21 LEU 55 -1.982 6.074 -9.875 457 HD22 LEU 55 HD22 LEU 55 -0.834 4.911 -9.175 458 HD23 LEU 55 HD23 LEU 55 -1.616 4.563 -10.735 459 H MET 56 H MET 56 -4.213 0.162 -9.522 460 HA MET 56 HA MET 56 -2.550 -1.992 -8.755 461 HB2 MET 56 HB1 MET 56 -5.401 -1.876 -9.770 462 HB3 MET 56 HB2 MET 56 -4.630 -3.379 -9.211 463 HG2 MET 56 HG1 MET 56 -4.090 -2.116 -7.049 464 HG3 MET 56 HG2 MET 56 -5.202 -0.860 -7.620 465 HE1 MET 56 HE1 MET 56 -6.206 -5.123 -6.234 466 HE2 MET 56 HE2 MET 56 -5.097 -4.806 -7.592 467 HE3 MET 56 HE3 MET 56 -4.689 -4.232 -5.958 468 H LYS 57 H LYS 57 -4.112 -1.444 -12.032 469 HA LYS 57 HA LYS 57 -2.827 -3.647 -13.268 470 HB2 LYS 57 HB1 LYS 57 -3.949 -1.054 -14.249 471 HB3 LYS 57 HB2 LYS 57 -2.876 -1.963 -15.339 472 HG2 LYS 57 HG1 LYS 57 -4.938 -2.743 -15.984 473 HG3 LYS 57 HG2 LYS 57 -4.471 -3.964 -14.777 474 HD2 LYS 57 HD1 LYS 57 -5.868 -2.875 -13.091 475 HD3 LYS 57 HD2 LYS 57 -6.281 -1.579 -14.239 476 HE2 LYS 57 HE1 LYS 57 -7.130 -3.429 -15.805 477 HE3 LYS 57 HE2 LYS 57 -6.979 -4.538 -14.425 478 HZ1 LYS 57 HZ1 LYS 57 -9.185 -3.656 -14.621 479 HZ2 LYS 57 HZ2 LYS 57 -8.491 -3.138 -13.219 480 HZ3 LYS 57 HZ3 LYS 57 -8.630 -2.108 -14.499 481 H SER 58 H SER 58 -1.552 -0.488 -12.385 482 HA SER 58 HA SER 58 0.877 -0.730 -13.922 483 HB2 SER 58 HB1 SER 58 -0.156 1.319 -11.977 484 HB3 SER 58 HB2 SER 58 1.508 1.371 -12.606 485 HG SER 58 HG SER 58 0.017 2.520 -13.941 486 H LEU 59 H LEU 59 0.020 -1.644 -10.555 487 HA LEU 59 HA LEU 59 2.710 -2.601 -10.072 488 HB2 LEU 59 HB1 LEU 59 0.039 -3.646 -9.069 489 HB3 LEU 59 HB2 LEU 59 1.640 -4.090 -8.430 490 HG LEU 59 HG LEU 59 0.318 -1.363 -8.303 491 HD11 LEU 59 HD11 LEU 59 0.277 -1.815 -5.875 492 HD12 LEU 59 HD12 LEU 59 -0.620 -3.057 -6.783 493 HD13 LEU 59 HD13 LEU 59 1.010 -3.413 -6.159 494 HD21 LEU 59 HD21 LEU 59 2.260 -0.643 -6.960 495 HD22 LEU 59 HD22 LEU 59 3.041 -2.215 -7.250 496 HD23 LEU 59 HD23 LEU 59 2.742 -1.105 -8.609 497 H ASP 60 H ASP 60 -0.245 -4.076 -11.429 498 HA ASP 60 HA ASP 60 1.059 -6.583 -12.034 499 HB2 ASP 60 HB1 ASP 60 -1.507 -5.799 -11.407 500 HB3 ASP 60 HB2 ASP 60 -1.628 -6.162 -13.142 501 H LYS 61 H LYS 61 1.955 -4.015 -13.575 502 HA LYS 61 HA LYS 61 0.823 -4.235 -16.221 503 HB2 LYS 61 HB1 LYS 61 1.809 -2.217 -14.890 504 HB3 LYS 61 HB2 LYS 61 3.355 -2.749 -15.594 505 HG2 LYS 61 HG1 LYS 61 2.420 -0.915 -16.852 506 HG3 LYS 61 HG2 LYS 61 2.477 -2.398 -17.835 507 HD2 LYS 61 HD1 LYS 61 0.515 -1.142 -18.369 508 HD3 LYS 61 HD2 LYS 61 0.064 -2.668 -17.571 509 HE2 LYS 61 HE1 LYS 61 -1.452 -1.304 -16.616 510 HE3 LYS 61 HE2 LYS 61 -0.126 -1.100 -15.451 511 HZ1 LYS 61 HZ1 LYS 61 -1.174 0.982 -15.977 512 HZ2 LYS 61 HZ2 LYS 61 0.385 0.977 -16.493 513 HZ3 LYS 61 HZ3 LYS 61 -0.845 0.789 -17.574 514 H ASN 62 H ASN 62 3.870 -5.446 -14.788 515 HA ASN 62 HA ASN 62 3.715 -7.496 -16.946 516 HB2 ASN 62 HB1 ASN 62 6.243 -7.242 -15.379 517 HB3 ASN 62 HB2 ASN 62 5.980 -7.807 -17.042 518 HD21 ASN 62 HD21 ASN 62 6.434 -4.957 -14.988 519 HD22 ASN 62 HD22 ASN 62 6.847 -3.863 -16.298 520 H SER 63 H SER 63 4.371 -6.880 -13.458 521 HA SER 63 HA SER 63 2.946 -7.542 -11.864 522 HB2 SER 63 HB1 SER 63 1.271 -9.212 -12.049 523 HB3 SER 63 HB2 SER 63 1.288 -8.232 -13.535 524 HG SER 63 HG SER 63 1.023 -10.469 -13.946 525 H ASP 64 H ASP 64 4.795 -10.204 -13.339 526 HA ASP 64 HA ASP 64 4.717 -11.628 -10.733 527 HB2 ASP 64 HB1 ASP 64 5.093 -12.597 -13.570 528 HB3 ASP 64 HB2 ASP 64 5.379 -13.617 -12.144 529 H GLN 65 H GLN 65 6.090 -9.515 -10.647 530 HA GLN 65 HA GLN 65 8.989 -10.170 -10.738 531 HB2 GLN 65 HB1 GLN 65 8.339 -7.329 -10.830 532 HB3 GLN 65 HB2 GLN 65 9.410 -8.276 -11.891 533 HG2 GLN 65 HG1 GLN 65 7.618 -8.738 -13.410 534 HG3 GLN 65 HG2 GLN 65 6.416 -8.059 -12.292 535 HE21 GLN 65 HE12 GLN 65 9.548 -6.939 -13.785 536 HE22 GLN 65 HE22 GLN 65 8.912 -5.384 -14.267 537 H GLU 66 H GLU 66 10.168 -8.951 -8.955 538 HA GLU 66 HA GLU 66 8.507 -8.646 -6.605 539 HB2 GLU 66 HB1 GLU 66 11.462 -8.215 -7.055 540 HB3 GLU 66 HB2 GLU 66 10.655 -7.951 -5.491 541 HG2 GLU 66 HG1 GLU 66 10.728 -10.580 -7.024 542 HG3 GLU 66 HG2 GLU 66 11.734 -10.175 -5.618 543 H ILE 67 H ILE 67 8.423 -6.879 -5.255 544 HA ILE 67 HA ILE 67 8.727 -4.140 -6.366 545 HB ILE 67 HB ILE 67 6.555 -5.478 -4.769 546 HG12 ILE 67 HG13 ILE 67 6.654 -3.351 -6.934 547 HG13 ILE 67 HG12 ILE 67 6.413 -5.095 -7.191 548 HG21 ILE 67 HG21 ILE 67 5.662 -3.329 -3.953 549 HG22 ILE 67 HG22 ILE 67 7.246 -3.695 -3.231 550 HG23 ILE 67 HG23 ILE 67 7.119 -2.501 -4.546 551 HD11 ILE 67 HD11 ILE 67 4.277 -3.870 -7.339 552 HD12 ILE 67 HD12 ILE 67 4.294 -4.985 -5.958 553 HD13 ILE 67 HD13 ILE 67 4.535 -3.241 -5.699 554 H ASP 68 H ASP 68 9.712 -2.665 -5.115 555 HA ASP 68 HA ASP 68 10.928 -3.465 -2.523 556 HB2 ASP 68 HB1 ASP 68 12.260 -2.612 -4.438 557 HB3 ASP 68 HB2 ASP 68 11.332 -1.099 -4.372 558 H PHE 69 H PHE 69 10.609 -2.284 -0.669 559 HA PHE 69 HA PHE 69 8.023 -1.684 0.071 560 HB2 PHE 69 HB1 PHE 69 10.309 -2.190 1.316 561 HB3 PHE 69 HB2 PHE 69 10.360 -0.427 1.485 562 HD1 PHE 69 HD1 PHE 69 8.241 0.696 2.635 563 HD2 PHE 69 HD2 PHE 69 9.218 -3.487 2.882 564 HE1 PHE 69 HE1 PHE 69 6.934 0.519 4.737 565 HE2 PHE 69 HE2 PHE 69 7.848 -3.679 4.940 566 HZ PHE 69 HZ PHE 69 6.746 -1.670 5.900 567 H LYS 70 H LYS 70 10.282 0.609 -1.416 568 HA LYS 70 HA LYS 70 9.059 3.043 -0.568 569 HB2 LYS 70 HB1 LYS 70 10.496 2.286 -3.131 570 HB3 LYS 70 HB2 LYS 70 10.023 3.948 -2.705 571 HG2 LYS 70 HG1 LYS 70 12.279 3.885 -2.165 572 HG3 LYS 70 HG2 LYS 70 11.491 3.582 -0.597 573 HD2 LYS 70 HD1 LYS 70 12.106 1.339 -0.568 574 HD3 LYS 70 HD2 LYS 70 12.228 1.239 -2.339 575 HE2 LYS 70 HE1 LYS 70 14.268 2.671 -2.242 576 HE3 LYS 70 HE2 LYS 70 14.163 2.655 -0.468 577 HZ1 LYS 70 HZ1 LYS 70 15.668 0.985 -1.285 578 HZ2 LYS 70 HZ2 LYS 70 14.383 0.269 -0.541 579 HZ3 LYS 70 HZ3 LYS 70 14.479 0.284 -2.187 580 H GLU 71 H GLU 71 8.564 1.020 -3.463 581 HA GLU 71 HA GLU 71 6.538 2.492 -4.759 582 HB2 GLU 71 HB1 GLU 71 6.784 -0.526 -4.785 583 HB3 GLU 71 HB2 GLU 71 6.166 0.543 -6.067 584 HG2 GLU 71 HG1 GLU 71 8.463 1.407 -6.425 585 HG3 GLU 71 HG2 GLU 71 9.063 0.292 -5.179 586 H TYR 72 H TYR 72 6.431 0.083 -2.146 587 HA TYR 72 HA TYR 72 3.565 -0.196 -2.032 588 HB2 TYR 72 HB1 TYR 72 4.791 -1.953 -1.171 589 HB3 TYR 72 HB2 TYR 72 5.936 -0.890 -0.336 590 HD1 TYR 72 HD2 TYR 72 2.204 -1.484 -0.128 591 HD2 TYR 72 HD1 TYR 72 5.959 -1.166 1.942 592 HE1 TYR 72 HE2 TYR 72 1.123 -2.304 1.954 593 HE2 TYR 72 HE1 TYR 72 4.853 -1.838 4.062 594 HH TYR 72 HH TYR 72 1.376 -2.760 4.181 595 H SER 73 H SER 73 5.884 1.790 -0.146 596 HA SER 73 HA SER 73 3.924 3.050 1.502 597 HB2 SER 73 HB1 SER 73 6.500 2.714 1.729 598 HB3 SER 73 HB2 SER 73 6.603 4.235 0.810 599 HG SER 73 HG SER 73 6.591 4.563 3.079 600 H VAL 74 H VAL 74 5.408 4.153 -1.642 601 HA VAL 74 HA VAL 74 3.904 6.607 -1.563 602 HB VAL 74 HB VAL 74 4.488 7.007 -3.858 603 HG11 VAL 74 HG11 VAL 74 6.927 7.147 -3.576 604 HG12 VAL 74 HG12 VAL 74 6.063 7.580 -2.086 605 HG13 VAL 74 HG13 VAL 74 6.835 5.983 -2.236 606 HG21 VAL 74 HG21 VAL 74 5.919 5.520 -5.196 607 HG22 VAL 74 HG22 VAL 74 5.803 4.284 -3.929 608 HG23 VAL 74 HG23 VAL 74 4.350 4.779 -4.828 609 H PHE 75 H PHE 75 3.157 3.361 -2.911 610 HA PHE 75 HA PHE 75 0.834 4.203 -4.373 611 HB2 PHE 75 HB1 PHE 75 2.069 1.977 -4.476 612 HB3 PHE 75 HB2 PHE 75 1.285 1.565 -2.943 613 HD1 PHE 75 HD2 PHE 75 -1.440 1.723 -2.993 614 HD2 PHE 75 HD1 PHE 75 1.129 1.393 -6.436 615 HE1 PHE 75 HE2 PHE 75 -3.307 0.717 -4.295 616 HE2 PHE 75 HE1 PHE 75 -0.729 0.406 -7.721 617 HZ PHE 75 HZ PHE 75 -2.941 0.041 -6.671 618 H LEU 76 H LEU 76 1.309 3.038 -0.989 619 HA LEU 76 HA LEU 76 -1.451 3.282 -0.274 620 HB2 LEU 76 HB1 LEU 76 1.132 3.173 1.295 621 HB3 LEU 76 HB2 LEU 76 -0.475 3.205 2.061 622 HG LEU 76 HG LEU 76 0.573 1.074 0.152 623 HD11 LEU 76 HD11 LEU 76 0.538 -0.312 2.187 624 HD12 LEU 76 HD12 LEU 76 1.604 1.102 2.386 625 HD13 LEU 76 HD13 LEU 76 -0.008 1.092 3.141 626 HD21 LEU 76 HD21 LEU 76 -1.513 -0.138 0.643 627 HD22 LEU 76 HD22 LEU 76 -2.101 1.251 1.590 628 HD23 LEU 76 HD23 LEU 76 -1.839 1.415 -0.164 629 H THR 77 H THR 77 1.313 5.540 0.006 630 HA THR 77 HA THR 77 -0.096 7.704 1.186 631 HB THR 77 HB THR 77 2.292 7.619 -0.682 632 HG1 THR 77 HG1 THR 77 3.304 7.930 1.363 633 HG21 THR 77 HG21 THR 77 2.804 9.886 0.186 634 HG22 THR 77 HG22 THR 77 1.266 9.879 -0.706 635 HG23 THR 77 HG23 THR 77 1.264 9.890 1.075 636 H MET 78 H MET 78 0.399 6.923 -2.310 637 HA MET 78 HA MET 78 -1.147 9.030 -3.387 638 HB2 MET 78 HB1 MET 78 0.409 7.393 -4.554 639 HB3 MET 78 HB2 MET 78 -0.908 6.201 -4.467 640 HG2 MET 78 HG1 MET 78 -1.556 6.981 -6.454 641 HG3 MET 78 HG2 MET 78 -2.152 8.400 -5.577 642 HE1 MET 78 HE1 MET 78 1.616 7.997 -8.161 643 HE2 MET 78 HE2 MET 78 1.309 6.933 -6.766 644 HE3 MET 78 HE3 MET 78 0.185 6.933 -8.146 645 H LEU 79 H LEU 79 -2.144 5.809 -2.190 646 HA LEU 79 HA LEU 79 -4.883 6.033 -3.028 647 HB2 LEU 79 HB1 LEU 79 -3.689 3.917 -2.753 648 HB3 LEU 79 HB2 LEU 79 -3.498 4.236 -1.012 649 HG LEU 79 HG LEU 79 -5.866 4.021 -0.648 650 HD11 LEU 79 HD11 LEU 79 -7.460 3.432 -2.447 651 HD12 LEU 79 HD12 LEU 79 -6.712 5.019 -2.735 652 HD13 LEU 79 HD13 LEU 79 -6.158 3.593 -3.647 653 HD21 LEU 79 HD21 LEU 79 -6.157 1.638 -1.258 654 HD22 LEU 79 HD22 LEU 79 -4.827 1.778 -2.431 655 HD23 LEU 79 HD23 LEU 79 -4.501 1.962 -0.691 656 H CYS 80 H CYS 80 -3.270 6.562 0.175 657 HA CYS 80 HA CYS 80 -5.599 7.455 1.534 658 HB2 CYS 80 HB1 CYS 80 -3.493 6.775 2.609 659 HB3 CYS 80 HB2 CYS 80 -2.680 8.205 1.925 660 HG CYS 80 HG CYS 80 -3.149 8.584 4.476 661 H MET 81 H MET 81 -3.295 9.255 -0.542 662 HA MET 81 HA MET 81 -4.469 11.824 -0.232 663 HB2 MET 81 HB1 MET 81 -2.234 11.440 -1.097 664 HB3 MET 81 HB2 MET 81 -2.900 10.585 -2.508 665 HG2 MET 81 HG1 MET 81 -3.822 12.579 -3.406 666 HG3 MET 81 HG2 MET 81 -3.569 13.469 -1.896 667 HE1 MET 81 HE1 MET 81 0.058 14.434 -1.795 668 HE2 MET 81 HE2 MET 81 -1.614 14.818 -1.315 669 HE3 MET 81 HE3 MET 81 -0.889 13.262 -0.843 670 H ALA 82 H ALA 82 -5.623 9.015 -1.986 671 HA ALA 82 HA ALA 82 -7.529 10.562 -3.519 672 HB1 ALA 82 HB1 ALA 82 -8.356 8.378 -4.262 673 HB2 ALA 82 HB2 ALA 82 -6.587 8.505 -4.407 674 HB3 ALA 82 HB3 ALA 82 -7.307 7.575 -3.069 675 H TYR 83 H TYR 83 -7.462 10.066 -0.246 676 HA TYR 83 HA TYR 83 -10.245 10.901 -0.093 677 HB2 TYR 83 HB1 TYR 83 -10.765 9.358 1.783 678 HB3 TYR 83 HB2 TYR 83 -10.624 8.610 0.183 679 HD1 TYR 83 HD1 TYR 83 -9.013 8.970 3.507 680 HD2 TYR 83 HD2 TYR 83 -8.996 6.950 -0.294 681 HE1 TYR 83 HE1 TYR 83 -7.550 7.203 4.459 682 HE2 TYR 83 HE2 TYR 83 -7.632 5.115 0.673 683 HH TYR 83 HH TYR 83 -6.540 4.335 2.556 684 H ASN 84 H ASN 84 -7.262 11.819 0.677 685 HA ASN 84 HA ASN 84 -7.717 12.480 3.462 686 HB2 ASN 84 HB1 ASN 84 -5.558 13.320 3.588 687 HB3 ASN 84 HB2 ASN 84 -5.490 11.870 2.563 688 HD21 ASN 84 HD21 ASN 84 -3.434 13.815 2.651 689 HD22 ASN 84 HD22 ASN 84 -3.350 14.594 1.079 690 H ASP 85 H ASP 85 -9.207 13.722 0.924 691 HA ASP 85 HA ASP 85 -9.549 16.422 1.549 692 HB2 ASP 85 HB1 ASP 85 -11.930 15.994 0.767 693 HB3 ASP 85 HB2 ASP 85 -10.635 15.521 -0.355 694 H PHE 86 H PHE 86 -10.416 13.642 3.537 695 HA PHE 86 HA PHE 86 -12.176 14.863 5.344 696 HB2 PHE 86 HB1 PHE 86 -10.181 12.641 5.433 697 HB3 PHE 86 HB2 PHE 86 -10.852 13.215 6.968 698 HD1 PHE 86 HD2 PHE 86 -12.039 12.198 3.523 699 HD2 PHE 86 HD1 PHE 86 -12.803 12.222 7.759 700 HE1 PHE 86 HE2 PHE 86 -14.105 10.880 3.155 701 HE2 PHE 86 HE1 PHE 86 -14.869 10.889 7.394 702 HZ PHE 86 HZ PHE 86 -15.527 10.223 5.088 703 H PHE 87 H PHE 87 -8.995 15.976 4.724 704 HA PHE 87 HA PHE 87 -8.962 17.441 7.311 705 HB2 PHE 87 HB1 PHE 87 -6.666 17.070 5.362 706 HB3 PHE 87 HB2 PHE 87 -6.588 17.702 7.016 707 HD1 PHE 87 HD2 PHE 87 -7.809 15.887 8.774 708 HD2 PHE 87 HD1 PHE 87 -5.719 14.984 5.119 709 HE1 PHE 87 HE2 PHE 87 -7.441 13.557 9.556 710 HE2 PHE 87 HE1 PHE 87 -5.371 12.650 5.893 711 HZ PHE 87 HZ PHE 87 -6.251 11.929 8.107 712 H LEU 88 H LEU 88 -9.871 17.971 4.095 713 HA LEU 88 HA LEU 88 -9.139 20.848 4.232 714 HB2 LEU 88 HB1 LEU 88 -9.259 18.947 1.883 715 HB3 LEU 88 HB2 LEU 88 -9.345 20.713 1.670 716 HG LEU 88 HG LEU 88 -7.040 19.033 2.656 717 HD11 LEU 88 HD11 LEU 88 -5.845 20.216 0.825 718 HD12 LEU 88 HD12 LEU 88 -7.296 19.390 0.217 719 HD13 LEU 88 HD13 LEU 88 -7.315 21.151 0.477 720 HD21 LEU 88 HD21 LEU 88 -5.750 21.106 3.101 721 HD22 LEU 88 HD22 LEU 88 -7.205 22.071 2.779 722 HD23 LEU 88 HD23 LEU 88 -7.153 20.973 4.181 723 H GLU 89 H GLU 89 -10.497 22.327 3.288 724 HA GLU 89 HA GLU 89 -13.374 21.876 3.514 725 HB2 GLU 89 HB1 GLU 89 -11.630 24.291 2.884 726 HB3 GLU 89 HB2 GLU 89 -13.390 24.347 3.138 727 HG2 GLU 89 HG1 GLU 89 -12.553 25.022 5.191 728 HG3 GLU 89 HG2 GLU 89 -12.881 23.294 5.443 729 H ASP 90 H ASP 90 -11.550 20.931 1.235 730 HA ASP 90 HA ASP 90 -11.437 20.522 -0.954 731 HB2 ASP 90 HB1 ASP 90 -13.829 20.176 -1.011 732 HB3 ASP 90 HB2 ASP 90 -14.127 21.924 -1.099 733 H ASN 91 H ASN 91 -12.329 23.865 -0.142 734 HA ASN 91 HA ASN 91 -11.938 24.827 -2.814 735 HB2 ASN 91 HB1 ASN 91 -13.653 25.545 -1.142 736 HB3 ASN 91 HB2 ASN 91 -12.358 26.258 -0.153 737 HD21 ASN 91 HD21 ASN 91 -13.599 26.340 -3.526 738 HD22 ASN 91 HD22 ASN 91 -13.381 28.067 -3.738 739 H LYS 92 H LYS 92 -9.567 24.534 -0.229 740 HA LYS 92 HA LYS 92 -8.291 27.027 -1.142 741 HB2 LYS 92 HB1 LYS 92 -8.747 26.065 1.668 742 HB3 LYS 92 HB2 LYS 92 -7.513 27.290 1.288 743 HG2 LYS 92 HG1 LYS 92 -10.507 27.459 0.910 744 HG3 LYS 92 HG2 LYS 92 -9.465 28.467 1.942 745 HD2 LYS 92 HD1 LYS 92 -9.569 28.455 -1.087 746 HD3 LYS 92 HD2 LYS 92 -10.194 29.719 -0.000 747 HE2 LYS 92 HE1 LYS 92 -8.239 30.720 -0.613 748 HE3 LYS 92 HE2 LYS 92 -7.645 29.792 0.782 749 HZ1 LYS 92 HZ1 LYS 92 -6.187 29.586 -1.108 750 HZ2 LYS 92 HZ2 LYS 92 -6.853 28.125 -0.743 751 HZ3 LYS 92 HZ3 LYS 92 -7.405 28.985 -2.039 752 HA MET 1 HA MET 1 -14.031 -1.658 12.356 753 HB2 MET 1 HB1 MET 1 -15.316 0.052 11.068 754 HB3 MET 1 HB2 MET 1 -13.803 0.969 10.866 755 HG2 MET 1 HG1 MET 1 -12.789 -1.073 9.802 756 HG3 MET 1 HG2 MET 1 -14.381 -1.849 9.879 757 HE1 MET 1 HE1 MET 1 -15.397 -1.218 6.353 758 HE2 MET 1 HE2 MET 1 -14.334 -2.326 7.245 759 HE3 MET 1 HE3 MET 1 -15.924 -1.888 7.911 760 H GLU 2 H GLU 2 -11.996 1.235 11.624 761 HA GLU 2 HA GLU 2 -9.862 1.737 11.993 762 HB2 GLU 2 HB1 GLU 2 -10.396 0.156 14.503 763 HB3 GLU 2 HB2 GLU 2 -8.914 1.106 14.234 764 HG2 GLU 2 HG1 GLU 2 -10.386 2.562 15.415 765 HG3 GLU 2 HG2 GLU 2 -10.457 3.096 13.722 766 H THR 3 H THR 3 -9.558 0.416 10.026 767 HA THR 3 HA THR 3 -8.373 -2.183 10.207 768 HB THR 3 HB THR 3 -7.684 -1.757 7.806 769 HG1 THR 3 HG1 THR 3 -8.668 0.108 6.908 770 HG21 THR 3 HG21 THR 3 -10.009 -1.860 6.976 771 HG22 THR 3 HG22 THR 3 -9.792 -2.889 8.411 772 HG23 THR 3 HG23 THR 3 -10.598 -1.310 8.562 773 HA PRO 4 HA PRO 4 -4.582 -1.437 11.785 774 HB2 PRO 4 HB1 PRO 4 -2.893 -3.347 10.701 775 HB3 PRO 4 HB2 PRO 4 -4.222 -3.696 11.855 776 HG2 PRO 4 HG1 PRO 4 -4.301 -3.878 8.836 777 HG3 PRO 4 HG2 PRO 4 -4.838 -5.111 10.024 778 HD2 PRO 4 HD1 PRO 4 -6.623 -3.423 8.894 779 HD3 PRO 4 HD2 PRO 4 -6.728 -3.775 10.645 780 H LEU 5 H LEU 5 -4.187 -1.677 8.187 781 HA LEU 5 HA LEU 5 -1.752 -0.144 8.217 782 HB2 LEU 5 HB1 LEU 5 -2.273 -1.627 6.387 783 HB3 LEU 5 HB2 LEU 5 -3.767 -0.728 6.031 784 HG LEU 5 HG LEU 5 -2.359 1.288 5.569 785 HD11 LEU 5 HD11 LEU 5 0.051 1.033 5.108 786 HD12 LEU 5 HD12 LEU 5 -0.334 0.688 6.807 787 HD13 LEU 5 HD13 LEU 5 -0.023 -0.649 5.675 788 HD21 LEU 5 HD21 LEU 5 -1.688 0.556 3.324 789 HD22 LEU 5 HD22 LEU 5 -1.827 -1.141 3.839 790 HD23 LEU 5 HD23 LEU 5 -3.273 -0.104 3.787 791 H GLU 6 H GLU 6 -5.224 0.848 7.817 792 HA GLU 6 HA GLU 6 -4.536 3.615 7.466 793 HB2 GLU 6 HB1 GLU 6 -6.696 2.591 6.865 794 HB3 GLU 6 HB2 GLU 6 -7.067 2.406 8.596 795 HG2 GLU 6 HG1 GLU 6 -8.117 4.395 7.473 796 HG3 GLU 6 HG2 GLU 6 -7.162 4.751 8.928 797 H LYS 7 H LYS 7 -4.570 1.575 10.323 798 HA LYS 7 HA LYS 7 -4.001 3.842 12.081 799 HB2 LYS 7 HB1 LYS 7 -4.415 0.922 12.401 800 HB3 LYS 7 HB2 LYS 7 -3.466 1.775 13.643 801 HG2 LYS 7 HG1 LYS 7 -5.984 1.454 14.026 802 HG3 LYS 7 HG2 LYS 7 -5.268 3.052 14.341 803 HD2 LYS 7 HD1 LYS 7 -6.515 2.645 11.663 804 HD3 LYS 7 HD2 LYS 7 -7.607 2.705 13.066 805 HE2 LYS 7 HE1 LYS 7 -7.080 4.913 13.559 806 HE3 LYS 7 HE2 LYS 7 -5.479 4.814 12.798 807 HZ1 LYS 7 HZ1 LYS 7 -6.989 6.143 11.516 808 HZ2 LYS 7 HZ2 LYS 7 -6.561 4.797 10.668 809 HZ3 LYS 7 HZ3 LYS 7 -8.048 4.889 11.374 810 H ALA 8 H ALA 8 -2.023 2.197 9.810 811 HA ALA 8 HA ALA 8 0.258 3.660 10.939 812 HB1 ALA 8 HB1 ALA 8 1.378 3.109 8.801 813 HB2 ALA 8 HB2 ALA 8 0.691 1.658 9.564 814 HB3 ALA 8 HB3 ALA 8 -0.142 2.420 8.188 815 H LEU 9 H LEU 9 -2.028 4.104 8.099 816 HA LEU 9 HA LEU 9 -0.686 6.439 7.206 817 HB2 LEU 9 HB1 LEU 9 -3.264 5.103 6.580 818 HB3 LEU 9 HB2 LEU 9 -3.093 6.808 6.099 819 HG LEU 9 HG LEU 9 -2.568 5.220 4.295 820 HD11 LEU 9 HD11 LEU 9 -0.442 6.247 3.547 821 HD12 LEU 9 HD12 LEU 9 -1.532 7.450 4.267 822 HD13 LEU 9 HD13 LEU 9 -0.151 6.827 5.201 823 HD21 LEU 9 HD21 LEU 9 -0.488 3.885 4.327 824 HD22 LEU 9 HD22 LEU 9 -0.197 4.393 6.003 825 HD23 LEU 9 HD23 LEU 9 -1.610 3.383 5.609 826 H THR 10 H THR 10 -3.824 6.297 9.074 827 HA THR 10 HA THR 10 -4.245 9.015 9.461 828 HB THR 10 HB THR 10 -4.631 6.700 11.378 829 HG1 THR 10 HG1 THR 10 -6.806 6.984 10.666 830 HG21 THR 10 HG21 THR 10 -6.260 8.135 12.596 831 HG22 THR 10 HG22 THR 10 -4.621 8.815 12.677 832 HG23 THR 10 HG23 THR 10 -5.820 9.503 11.554 833 H THR 11 H THR 11 -2.084 6.895 11.337 834 HA THR 11 HA THR 11 -1.123 8.754 13.245 835 HB THR 11 HB THR 11 0.455 6.440 12.100 836 HG1 THR 11 HG1 THR 11 -0.803 5.132 13.522 837 HG21 THR 11 HG21 THR 11 1.120 6.088 14.457 838 HG22 THR 11 HG22 THR 11 1.527 7.728 13.909 839 HG23 THR 11 HG23 THR 11 0.102 7.460 14.942 840 H MET 12 H MET 12 0.320 7.713 10.119 841 HA MET 12 HA MET 12 2.530 9.412 9.977 842 HB2 MET 12 HB1 MET 12 1.212 7.524 8.374 843 HB3 MET 12 HB2 MET 12 1.157 9.017 7.410 844 HG2 MET 12 HG1 MET 12 3.122 8.020 6.708 845 HG3 MET 12 HG2 MET 12 3.679 9.189 7.916 846 HE1 MET 12 HE1 MET 12 5.062 5.054 7.644 847 HE2 MET 12 HE2 MET 12 3.654 5.590 6.700 848 HE3 MET 12 HE3 MET 12 5.174 6.513 6.633 849 H VAL 13 H VAL 13 -0.816 10.053 8.787 850 HA VAL 13 HA VAL 13 -0.040 12.616 7.699 851 HB VAL 13 HB VAL 13 -2.345 12.988 7.106 852 HG11 VAL 13 HG11 VAL 13 -2.644 11.072 5.566 853 HG12 VAL 13 HG12 VAL 13 -0.946 11.592 5.638 854 HG13 VAL 13 HG13 VAL 13 -1.470 10.133 6.515 855 HG21 VAL 13 HG21 VAL 13 -4.128 11.343 7.539 856 HG22 VAL 13 HG22 VAL 13 -3.006 10.402 8.543 857 HG23 VAL 13 HG23 VAL 13 -3.496 12.038 9.046 858 H THR 14 H THR 14 -1.354 11.571 10.807 859 HA THR 14 HA THR 14 -2.168 14.157 11.741 860 HB THR 14 HB THR 14 -1.240 11.714 13.291 861 HG1 THR 14 HG1 THR 14 -3.524 11.467 13.471 862 HG21 THR 14 HG21 THR 14 -2.525 12.697 15.177 863 HG22 THR 14 HG22 THR 14 -1.192 13.765 14.689 864 HG23 THR 14 HG23 THR 14 -2.860 14.137 14.192 865 H THR 15 H THR 15 0.889 12.280 12.243 866 HA THR 15 HA THR 15 2.252 14.409 13.552 867 HB THR 15 HB THR 15 4.342 13.129 12.895 868 HG1 THR 15 HG1 THR 15 3.880 11.036 12.079 869 HG21 THR 15 HG21 THR 15 3.826 11.243 14.420 870 HG22 THR 15 HG22 THR 15 3.175 12.773 15.049 871 HG23 THR 15 HG23 THR 15 2.091 11.599 14.265 872 H PHE 16 H PHE 16 2.123 13.533 10.043 873 HA PHE 16 HA PHE 16 3.856 15.561 9.119 874 HB2 PHE 16 HB1 PHE 16 2.922 13.728 7.781 875 HB3 PHE 16 HB2 PHE 16 1.309 14.451 7.904 876 HD1 PHE 16 HD1 PHE 16 0.796 16.585 6.713 877 HD2 PHE 16 HD2 PHE 16 4.531 14.517 6.165 878 HE1 PHE 16 HE1 PHE 16 1.138 17.764 4.558 879 HE2 PHE 16 HE2 PHE 16 4.810 15.600 3.945 880 HZ PHE 16 HZ PHE 16 3.112 17.232 3.141 881 H HIS 17 H HIS 17 0.311 15.777 9.852 882 HA HIS 17 HA HIS 17 0.152 18.497 8.992 883 HB2 HIS 17 HB1 HIS 17 -1.737 16.793 9.213 884 HB3 HIS 17 HB2 HIS 17 -1.766 17.222 10.934 885 HD1 HIS 17 HD1 HIS 17 -1.303 20.408 10.495 886 HD2 HIS 17 HD2 HIS 17 -4.013 17.951 8.444 887 HE1 HIS 17 HE1 HIS 17 -3.081 21.950 9.538 888 HE2 HIS 17 HE2 HIS 17 -4.780 20.472 8.295 889 H LYS 18 H LYS 18 1.017 17.078 12.129 890 HA LYS 18 HA LYS 18 0.932 19.392 13.732 891 HB2 LYS 18 HB1 LYS 18 1.147 17.104 14.526 892 HB3 LYS 18 HB2 LYS 18 2.770 16.986 13.805 893 HG2 LYS 18 HG1 LYS 18 3.674 18.535 15.398 894 HG3 LYS 18 HG2 LYS 18 2.054 18.949 16.006 895 HD2 LYS 18 HD1 LYS 18 1.748 16.753 16.938 896 HD3 LYS 18 HD2 LYS 18 3.192 16.129 16.104 897 HE2 LYS 18 HE1 LYS 18 3.358 18.369 18.143 898 HE3 LYS 18 HE2 LYS 18 3.408 16.658 18.620 899 HZ1 LYS 18 HZ1 LYS 18 5.597 17.555 18.298 900 HZ2 LYS 18 HZ2 LYS 18 5.299 16.378 17.182 901 HZ3 LYS 18 HZ3 LYS 18 5.253 17.965 16.739 902 H TYR 19 H TYR 19 2.991 18.925 11.009 903 HA TYR 19 HA TYR 19 4.558 21.300 11.856 904 HB2 TYR 19 HB1 TYR 19 5.479 18.932 10.202 905 HB3 TYR 19 HB2 TYR 19 6.412 20.421 10.428 906 HD1 TYR 19 HD2 TYR 19 5.014 17.440 12.110 907 HD2 TYR 19 HD1 TYR 19 7.606 20.850 12.511 908 HE1 TYR 19 HE2 TYR 19 5.879 16.505 14.240 909 HE2 TYR 19 HE1 TYR 19 8.419 19.967 14.693 910 HH TYR 19 HH TYR 19 7.184 16.914 16.094 911 H SER 20 H SER 20 2.780 19.788 9.092 912 HA SER 20 HA SER 20 3.244 21.967 7.292 913 HB2 SER 20 HB1 SER 20 1.452 21.140 6.002 914 HB3 SER 20 HB2 SER 20 2.213 19.714 6.745 915 HG SER 20 HG SER 20 -0.083 19.646 6.831 916 H GLY 21 H GLY 21 0.854 21.491 9.870 917 HA2 GLY 21 HA2 GLY 21 0.118 23.946 9.240 918 H ARG 22 H ARG 22 2.420 23.974 10.302 919 HA ARG 22 HA ARG 22 2.320 26.203 12.085 920 HB2 ARG 22 HB1 ARG 22 4.273 25.308 9.940 921 HB3 ARG 22 HB2 ARG 22 4.541 26.771 10.918 922 HG2 ARG 22 HG1 ARG 22 4.443 25.414 12.978 923 HG3 ARG 22 HG2 ARG 22 4.168 23.951 12.003 924 HD2 ARG 22 HD1 ARG 22 6.367 24.203 10.949 925 HD3 ARG 22 HD2 ARG 22 6.640 25.726 11.823 926 HE ARG 22 HE ARG 22 6.012 23.656 13.679 927 HH11 ARG 22 HH12 ARG 22 8.768 24.524 11.610 928 HH12 ARG 22 HH11 ARG 22 9.917 23.794 12.696 929 HH21 ARG 22 HH22 ARG 22 7.547 22.789 15.013 930 HH22 ARG 22 HH21 ARG 22 9.239 22.837 14.577 931 H GLU 23 H GLU 23 1.439 25.895 8.742 932 HA GLU 23 HA GLU 23 0.577 28.714 8.624 933 HB2 GLU 23 HB1 GLU 23 2.780 27.551 7.092 934 HB3 GLU 23 HB2 GLU 23 1.475 28.120 6.024 935 HG2 GLU 23 HG1 GLU 23 2.720 29.811 8.215 936 HG3 GLU 23 HG2 GLU 23 3.285 29.812 6.531 937 H GLY 24 H GLY 24 -0.674 28.759 6.225 938 HA2 GLY 24 HA2 GLY 24 -2.178 26.609 6.584 939 H SER 25 H SER 25 -0.043 26.375 4.978 940 HA SER 25 HA SER 25 -0.855 24.778 2.779 941 HB2 SER 25 HB1 SER 25 1.635 24.824 4.518 942 HB3 SER 25 HB2 SER 25 1.471 23.784 3.085 943 HG SER 25 HG SER 25 2.525 25.766 2.629 944 H LYS 26 H LYS 26 -2.780 23.542 4.180 945 HA LYS 26 HA LYS 26 -1.894 21.937 6.337 946 HB2 LYS 26 HB1 LYS 26 -4.414 21.917 4.678 947 HB3 LYS 26 HB2 LYS 26 -4.163 20.792 6.034 948 HG2 LYS 26 HG1 LYS 26 -3.617 22.855 7.460 949 HG3 LYS 26 HG2 LYS 26 -4.239 23.834 6.111 950 HD2 LYS 26 HD1 LYS 26 -5.877 21.639 7.411 951 HD3 LYS 26 HD2 LYS 26 -5.870 23.312 8.020 952 HE2 LYS 26 HE1 LYS 26 -6.788 24.159 5.988 953 HE3 LYS 26 HE2 LYS 26 -6.489 22.631 5.131 954 HZ1 LYS 26 HZ1 LYS 26 -8.783 22.879 5.734 955 HZ2 LYS 26 HZ2 LYS 26 -8.122 21.599 6.534 956 HZ3 LYS 26 HZ3 LYS 26 -8.399 23.017 7.330 957 H LEU 27 H LEU 27 -1.745 21.147 2.905 958 HA LEU 27 HA LEU 27 -1.176 18.313 3.553 959 HB2 LEU 27 HB1 LEU 27 -1.877 19.686 0.945 960 HB3 LEU 27 HB2 LEU 27 -1.545 17.945 1.127 961 HG LEU 27 HG LEU 27 -3.889 19.519 2.243 962 HD11 LEU 27 HD11 LEU 27 -5.114 17.945 0.768 963 HD12 LEU 27 HD12 LEU 27 -3.895 18.865 -0.151 964 HD13 LEU 27 HD13 LEU 27 -3.574 17.176 0.306 965 HD21 LEU 27 HD21 LEU 27 -4.745 17.398 3.188 966 HD22 LEU 27 HD22 LEU 27 -3.228 16.589 2.738 967 HD23 LEU 27 HD23 LEU 27 -3.220 17.881 3.963 968 H THR 28 H THR 28 0.700 21.006 3.195 969 HA THR 28 HA THR 28 3.001 19.441 2.213 970 HB THR 28 HB THR 28 3.709 21.498 0.870 971 HG1 THR 28 HG1 THR 28 1.939 22.733 0.110 972 HG21 THR 28 HG21 THR 28 2.440 20.801 -1.138 973 HG22 THR 28 HG22 THR 28 3.004 19.397 -0.205 974 HG23 THR 28 HG23 THR 28 1.303 19.913 -0.101 975 H LEU 29 H LEU 29 5.105 20.305 2.769 976 HA LEU 29 HA LEU 29 5.228 22.488 4.720 977 HB2 LEU 29 HB1 LEU 29 5.887 21.284 6.581 978 HB3 LEU 29 HB2 LEU 29 4.533 20.340 5.913 979 HG LEU 29 HG LEU 29 7.485 19.658 5.811 980 HD11 LEU 29 HD11 LEU 29 6.750 17.718 7.190 981 HD12 LEU 29 HD12 LEU 29 6.315 19.256 7.968 982 HD13 LEU 29 HD13 LEU 29 5.074 18.306 7.116 983 HD21 LEU 29 HD21 LEU 29 6.848 17.508 4.752 984 HD22 LEU 29 HD22 LEU 29 5.165 18.066 4.654 985 HD23 LEU 29 HD23 LEU 29 6.435 18.887 3.714 986 H SER 30 H SER 30 7.480 23.209 5.213 987 HA SER 30 HA SER 30 9.110 22.871 2.876 988 HB2 SER 30 HB1 SER 30 9.399 24.985 3.720 989 HB3 SER 30 HB2 SER 30 9.485 24.427 5.408 990 HG SER 30 HG SER 30 11.537 25.065 4.576 991 H ARG 31 H ARG 31 11.223 22.020 2.616 992 HA ARG 31 HA ARG 31 12.122 19.690 3.673 993 HB2 ARG 31 HB1 ARG 31 14.224 21.765 3.611 994 HB3 ARG 31 HB2 ARG 31 14.164 20.157 2.850 995 HG2 ARG 31 HG1 ARG 31 12.700 22.531 1.709 996 HG3 ARG 31 HG2 ARG 31 14.404 22.180 1.335 997 HD2 ARG 31 HD1 ARG 31 12.174 20.161 0.949 998 HD3 ARG 31 HD2 ARG 31 12.695 21.289 -0.321 999 HE ARG 31 HE ARG 31 15.053 20.163 0.437 1000 HH11 ARG 31 HH12 ARG 31 12.032 18.717 -0.680 1001 HH12 ARG 31 HH11 ARG 31 12.816 17.251 -1.209 1002 HH21 ARG 31 HH22 ARG 31 15.980 18.221 -0.172 1003 HH22 ARG 31 HH21 ARG 31 15.011 16.977 -0.925 1004 H LYS 32 H LYS 32 12.401 22.886 5.381 1005 HA LYS 32 HA LYS 32 14.032 21.757 7.463 1006 HB2 LYS 32 HB1 LYS 32 13.330 24.357 6.683 1007 HB3 LYS 32 HB2 LYS 32 12.719 24.170 8.344 1008 HG2 LYS 32 HG1 LYS 32 14.914 23.257 9.050 1009 HG3 LYS 32 HG2 LYS 32 15.527 23.441 7.390 1010 HD2 LYS 32 HD1 LYS 32 15.139 25.913 7.592 1011 HD3 LYS 32 HD2 LYS 32 14.714 25.658 9.301 1012 HE2 LYS 32 HE1 LYS 32 17.025 26.266 9.303 1013 HE3 LYS 32 HE2 LYS 32 16.994 24.508 9.552 1014 HZ1 LYS 32 HZ1 LYS 32 18.634 25.147 7.934 1015 HZ2 LYS 32 HZ2 LYS 32 17.462 24.233 7.221 1016 HZ3 LYS 32 HZ3 LYS 32 17.491 25.866 6.988 1017 H GLU 33 H GLU 33 10.540 22.657 7.463 1018 HA GLU 33 HA GLU 33 9.739 21.581 9.881 1019 HB2 GLU 33 HB1 GLU 33 8.487 21.930 7.187 1020 HB3 GLU 33 HB2 GLU 33 7.638 20.893 8.356 1021 HG2 GLU 33 HG1 GLU 33 6.811 23.201 8.412 1022 HG3 GLU 33 HG2 GLU 33 7.545 22.722 9.959 1023 H LEU 34 H LEU 34 10.163 19.691 6.784 1024 HA LEU 34 HA LEU 34 9.285 17.229 7.880 1025 HB2 LEU 34 HB1 LEU 34 9.413 17.574 5.488 1026 HB3 LEU 34 HB2 LEU 34 11.176 17.800 5.574 1027 HG LEU 34 HG LEU 34 11.441 15.471 6.339 1028 HD11 LEU 34 HD11 LEU 34 9.550 13.867 6.251 1029 HD12 LEU 34 HD12 LEU 34 9.253 15.155 7.438 1030 HD13 LEU 34 HD13 LEU 34 8.448 15.202 5.851 1031 HD21 LEU 34 HD21 LEU 34 10.851 14.293 4.238 1032 HD22 LEU 34 HD22 LEU 34 9.771 15.633 3.799 1033 HD23 LEU 34 HD23 LEU 34 11.528 15.901 3.910 1034 H LYS 35 H LYS 35 12.692 18.505 7.595 1035 HA LYS 35 HA LYS 35 13.750 16.150 8.837 1036 HB2 LYS 35 HB1 LYS 35 15.789 16.991 8.510 1037 HB3 LYS 35 HB2 LYS 35 14.900 18.078 7.416 1038 HG2 LYS 35 HG1 LYS 35 14.969 19.867 9.013 1039 HG3 LYS 35 HG2 LYS 35 15.602 18.791 10.281 1040 HD2 LYS 35 HD1 LYS 35 17.122 19.208 7.701 1041 HD3 LYS 35 HD2 LYS 35 17.255 20.374 9.039 1042 HE2 LYS 35 HE1 LYS 35 18.154 18.723 10.521 1043 HE3 LYS 35 HE2 LYS 35 17.699 17.392 9.437 1044 HZ1 LYS 35 HZ1 LYS 35 20.042 17.862 9.333 1045 HZ2 LYS 35 HZ2 LYS 35 19.336 18.186 7.880 1046 HZ3 LYS 35 HZ3 LYS 35 19.758 19.423 8.887 1047 H GLU 36 H GLU 36 12.497 19.204 10.194 1048 HA GLU 36 HA GLU 36 13.304 18.605 12.872 1049 HB2 GLU 36 HB1 GLU 36 12.417 20.843 11.903 1050 HB3 GLU 36 HB2 GLU 36 10.801 20.161 12.214 1051 HG2 GLU 36 HG1 GLU 36 11.798 19.566 14.578 1052 HG3 GLU 36 HG2 GLU 36 13.016 20.797 14.182 1053 H LEU 37 H LEU 37 10.267 17.961 11.087 1054 HA LEU 37 HA LEU 37 8.693 16.729 13.002 1055 HB2 LEU 37 HB1 LEU 37 7.653 17.263 11.028 1056 HB3 LEU 37 HB2 LEU 37 8.986 16.638 10.027 1057 HG LEU 37 HG LEU 37 8.204 14.397 10.272 1058 HD11 LEU 37 HD11 LEU 37 6.086 13.755 11.350 1059 HD12 LEU 37 HD12 LEU 37 7.261 14.385 12.521 1060 HD13 LEU 37 HD13 LEU 37 5.912 15.408 11.967 1061 HD21 LEU 37 HD21 LEU 37 6.070 14.608 9.029 1062 HD22 LEU 37 HD22 LEU 37 5.926 16.294 9.575 1063 HD23 LEU 37 HD23 LEU 37 7.259 15.818 8.494 1064 H ILE 38 H ILE 38 10.809 14.999 10.643 1065 HA ILE 38 HA ILE 38 10.320 12.440 11.727 1066 HB ILE 38 HB ILE 38 12.617 13.497 10.071 1067 HG12 ILE 38 HG13 ILE 38 10.195 11.757 9.455 1068 HG13 ILE 38 HG12 ILE 38 10.369 13.482 9.056 1069 HG21 ILE 38 HG21 ILE 38 13.256 11.141 9.654 1070 HG22 ILE 38 HG22 ILE 38 13.438 11.566 11.371 1071 HG23 ILE 38 HG23 ILE 38 12.039 10.603 10.835 1072 HD11 ILE 38 HD11 ILE 38 10.761 12.064 7.065 1073 HD12 ILE 38 HD12 ILE 38 12.230 12.945 7.533 1074 HD13 ILE 38 HD13 ILE 38 12.058 11.219 7.932 1075 H LYS 39 H LYS 39 13.024 14.743 12.568 1076 HA LYS 39 HA LYS 39 13.813 12.806 14.598 1077 HB2 LYS 39 HB1 LYS 39 15.190 14.855 13.090 1078 HB3 LYS 39 HB2 LYS 39 15.609 14.906 14.820 1079 HG2 LYS 39 HG1 LYS 39 16.001 12.511 14.867 1080 HG3 LYS 39 HG2 LYS 39 15.362 12.325 13.216 1081 HD2 LYS 39 HD1 LYS 39 17.704 12.049 13.131 1082 HD3 LYS 39 HD2 LYS 39 17.314 13.621 12.395 1083 HE2 LYS 39 HE1 LYS 39 18.193 14.826 14.199 1084 HE3 LYS 39 HE2 LYS 39 18.087 13.439 15.305 1085 HZ1 LYS 39 HZ1 LYS 39 20.335 13.859 14.618 1086 HZ2 LYS 39 HZ2 LYS 39 19.836 12.391 14.055 1087 HZ3 LYS 39 HZ3 LYS 39 19.933 13.678 13.028 1088 H LYS 40 H LYS 40 11.362 15.085 14.907 1089 HA LYS 40 HA LYS 40 11.687 14.776 17.835 1090 HB2 LYS 40 HB1 LYS 40 9.749 16.052 15.939 1091 HB3 LYS 40 HB2 LYS 40 9.107 15.472 17.493 1092 HG2 LYS 40 HG1 LYS 40 9.535 17.708 17.862 1093 HG3 LYS 40 HG2 LYS 40 10.935 16.874 18.577 1094 HD2 LYS 40 HD1 LYS 40 11.096 17.996 15.801 1095 HD3 LYS 40 HD2 LYS 40 11.272 19.056 17.220 1096 HE2 LYS 40 HE1 LYS 40 13.332 18.261 17.710 1097 HE3 LYS 40 HE2 LYS 40 12.873 16.580 17.359 1098 HZ1 LYS 40 HZ1 LYS 40 14.517 17.391 15.830 1099 HZ2 LYS 40 HZ2 LYS 40 13.110 17.069 15.033 1100 HZ3 LYS 40 HZ3 LYS 40 13.536 18.629 15.358 1101 H GLU 41 H GLU 41 9.680 13.462 15.121 1102 HA GLU 41 HA GLU 41 8.004 11.989 17.008 1103 HB2 GLU 41 HB1 GLU 41 7.965 12.200 13.980 1104 HB3 GLU 41 HB2 GLU 41 6.725 11.392 14.969 1105 HG2 GLU 41 HG1 GLU 41 7.415 14.339 15.102 1106 HG3 GLU 41 HG2 GLU 41 6.066 13.646 14.176 1107 H LEU 42 H LEU 42 10.645 11.213 14.804 1108 HA LEU 42 HA LEU 42 10.446 8.342 15.529 1109 HB2 LEU 42 HB1 LEU 42 10.696 9.427 13.054 1110 HB3 LEU 42 HB2 LEU 42 12.413 9.370 13.517 1111 HG LEU 42 HG LEU 42 12.049 6.937 14.128 1112 HD11 LEU 42 HD11 LEU 42 10.077 5.815 13.137 1113 HD12 LEU 42 HD12 LEU 42 9.591 7.035 14.337 1114 HD13 LEU 42 HD13 LEU 42 9.453 7.392 12.598 1115 HD21 LEU 42 HD21 LEU 42 12.182 6.153 11.789 1116 HD22 LEU 42 HD22 LEU 42 11.582 7.731 11.228 1117 HD23 LEU 42 HD23 LEU 42 13.163 7.616 12.038 1118 H CYS 43 H CYS 43 12.352 7.311 16.256 1119 HA CYS 43 HA CYS 43 14.254 9.170 17.589 1120 HB2 CYS 43 HB1 CYS 43 13.986 7.996 19.622 1121 HB3 CYS 43 HB2 CYS 43 12.356 8.331 18.987 1122 HG CYS 43 HG CYS 43 12.383 6.004 20.182 1123 H LEU 44 H LEU 44 13.910 6.153 15.819 1124 HA LEU 44 HA LEU 44 16.718 5.482 16.147 1125 HB2 LEU 44 HB1 LEU 44 14.525 4.374 14.403 1126 HB3 LEU 44 HB2 LEU 44 16.211 3.814 14.319 1127 HG LEU 44 HG LEU 44 15.803 3.634 16.986 1128 HD11 LEU 44 HD11 LEU 44 13.604 2.614 17.445 1129 HD12 LEU 44 HD12 LEU 44 13.441 4.294 16.893 1130 HD13 LEU 44 HD13 LEU 44 13.106 2.950 15.774 1131 HD21 LEU 44 HD21 LEU 44 15.458 1.205 16.628 1132 HD22 LEU 44 HD22 LEU 44 15.007 1.522 14.938 1133 HD23 LEU 44 HD23 LEU 44 16.662 1.861 15.496 1134 H GLY 45 H GLY 45 17.243 7.826 15.628 1135 HA2 GLY 45 HA2 GLY 45 18.389 7.078 13.388 1136 H GLU 46 H GLU 46 19.944 9.417 15.193 1137 HA GLU 46 HA GLU 46 22.440 8.278 14.854 1138 HB2 GLU 46 HB1 GLU 46 23.046 9.896 16.671 1139 HB3 GLU 46 HB2 GLU 46 22.158 10.566 15.281 1140 HG2 GLU 46 HG1 GLU 46 20.473 9.783 17.594 1141 HG3 GLU 46 HG2 GLU 46 21.597 11.128 17.890 1142 H MET 47 H MET 47 20.236 6.550 16.721 1143 HA MET 47 HA MET 47 22.243 5.333 18.415 1144 HB2 MET 47 HB1 MET 47 19.897 4.055 16.957 1145 HB3 MET 47 HB2 MET 47 20.787 3.367 18.337 1146 HG2 MET 47 HG1 MET 47 19.958 5.290 19.717 1147 HG3 MET 47 HG2 MET 47 18.939 5.760 18.347 1148 HE1 MET 47 HE1 MET 47 17.231 1.845 18.262 1149 HE2 MET 47 HE2 MET 47 17.712 3.134 17.142 1150 HE3 MET 47 HE3 MET 47 18.950 2.109 17.906 1151 H LYS 48 H LYS 48 21.465 5.205 15.016 1152 HA LYS 48 HA LYS 48 23.294 2.981 14.364 1153 HB2 LYS 48 HB1 LYS 48 20.289 3.125 14.217 1154 HB3 LYS 48 HB2 LYS 48 21.140 2.320 12.878 1155 HG2 LYS 48 HG1 LYS 48 22.175 0.764 14.295 1156 HG3 LYS 48 HG2 LYS 48 21.927 1.776 15.738 1157 HD2 LYS 48 HD1 LYS 48 20.583 -0.049 16.053 1158 HD3 LYS 48 HD2 LYS 48 19.489 1.252 15.524 1159 HE2 LYS 48 HE1 LYS 48 18.694 -0.773 14.606 1160 HE3 LYS 48 HE2 LYS 48 19.406 0.167 13.276 1161 HZ1 LYS 48 HZ1 LYS 48 19.994 -2.146 13.144 1162 HZ2 LYS 48 HZ2 LYS 48 21.337 -1.230 13.408 1163 HZ3 LYS 48 HZ3 LYS 48 20.677 -2.102 14.642 1164 H GLU 49 H GLU 49 24.373 3.308 12.477 1165 HA GLU 49 HA GLU 49 25.077 4.159 10.518 1166 HB2 GLU 49 HB1 GLU 49 22.554 3.328 10.205 1167 HB3 GLU 49 HB2 GLU 49 22.374 5.016 9.672 1168 HG2 GLU 49 HG1 GLU 49 24.622 3.318 8.598 1169 HG3 GLU 49 HG2 GLU 49 22.984 3.164 7.927 1170 H SER 50 H SER 50 23.902 6.578 9.065 1171 HA SER 50 HA SER 50 24.231 8.940 10.512 1172 HB2 SER 50 HB1 SER 50 26.463 8.131 11.183 1173 HB3 SER 50 HB2 SER 50 26.907 7.918 9.472 1174 HG SER 50 HG SER 50 27.650 9.916 10.343 1175 H SER 51 H SER 51 24.983 7.252 7.398 1176 HA SER 51 HA SER 51 24.749 9.461 5.673 1177 HB2 SER 51 HB1 SER 51 23.359 6.818 5.164 1178 HB3 SER 51 HB2 SER 51 24.088 7.935 3.985 1179 HG SER 51 HG SER 51 25.391 6.081 4.379 1180 H ILE 52 H ILE 52 22.269 7.870 7.632 1181 HA ILE 52 HA ILE 52 19.899 8.876 6.675 1182 HB ILE 52 HB ILE 52 19.031 8.846 8.914 1183 HG12 ILE 52 HG13 ILE 52 20.882 7.950 10.703 1184 HG13 ILE 52 HG12 ILE 52 21.814 9.181 9.818 1185 HG21 ILE 52 HG21 ILE 52 19.539 6.501 9.510 1186 HG22 ILE 52 HG22 ILE 52 19.366 6.714 7.755 1187 HG23 ILE 52 HG23 ILE 52 20.984 6.562 8.478 1188 HD11 ILE 52 HD11 ILE 52 20.685 10.170 11.797 1189 HD12 ILE 52 HD12 ILE 52 20.049 10.854 10.284 1190 HD13 ILE 52 HD13 ILE 52 19.114 9.624 11.168 1191 H ASP 53 H ASP 53 22.394 10.797 8.394 1192 HA ASP 53 HA ASP 53 20.542 13.089 8.351 1193 HB2 ASP 53 HB1 ASP 53 22.071 12.249 10.382 1194 HB3 ASP 53 HB2 ASP 53 23.180 13.425 9.645 1195 H ASP 54 H ASP 54 23.153 11.865 6.384 1196 HA ASP 54 HA ASP 54 23.537 14.376 5.015 1197 HB2 ASP 54 HB1 ASP 54 24.952 12.259 4.704 1198 HB3 ASP 54 HB2 ASP 54 23.640 11.669 3.660 1199 H LEU 55 H LEU 55 21.143 11.685 4.644 1200 HA LEU 55 HA LEU 55 19.582 12.884 2.620 1201 HB2 LEU 55 HB1 LEU 55 18.604 11.220 4.954 1202 HB3 LEU 55 HB2 LEU 55 17.719 11.552 3.446 1203 HG LEU 55 HG LEU 55 20.292 9.963 3.678 1204 HD11 LEU 55 HD11 LEU 55 18.852 8.008 3.185 1205 HD12 LEU 55 HD12 LEU 55 18.348 8.819 4.686 1206 HD13 LEU 55 HD13 LEU 55 17.420 9.064 3.185 1207 HD21 LEU 55 HD21 LEU 55 19.891 9.327 1.320 1208 HD22 LEU 55 HD22 LEU 55 18.472 10.397 1.277 1209 HD23 LEU 55 HD23 LEU 55 20.101 11.083 1.492 1210 H MET 56 H MET 56 19.349 13.320 6.222 1211 HA MET 56 HA MET 56 17.325 15.320 6.138 1212 HB2 MET 56 HB1 MET 56 19.557 14.792 8.125 1213 HB3 MET 56 HB2 MET 56 18.187 15.893 8.412 1214 HG2 MET 56 HG1 MET 56 17.900 12.935 7.830 1215 HG3 MET 56 HG2 MET 56 17.979 13.621 9.461 1216 HE1 MET 56 HE1 MET 56 14.569 14.441 10.355 1217 HE2 MET 56 HE2 MET 56 15.935 13.340 10.668 1218 HE3 MET 56 HE3 MET 56 16.215 15.094 10.552 1219 H LYS 57 H LYS 57 20.873 15.621 5.746 1220 HA LYS 57 HA LYS 57 20.857 18.506 5.614 1221 HB2 LYS 57 HB1 LYS 57 22.807 17.336 6.331 1222 HB3 LYS 57 HB2 LYS 57 22.864 16.393 4.823 1223 HG2 LYS 57 HG1 LYS 57 23.026 19.372 4.601 1224 HG3 LYS 57 HG2 LYS 57 24.440 18.512 5.254 1225 HD2 LYS 57 HD1 LYS 57 23.105 17.742 2.627 1226 HD3 LYS 57 HD2 LYS 57 24.453 18.899 2.729 1227 HE2 LYS 57 HE1 LYS 57 25.942 17.258 3.588 1228 HE3 LYS 57 HE2 LYS 57 24.617 16.144 3.982 1229 HZ1 LYS 57 HZ1 LYS 57 25.819 15.444 2.045 1230 HZ2 LYS 57 HZ2 LYS 57 24.268 15.831 1.644 1231 HZ3 LYS 57 HZ3 LYS 57 25.499 16.865 1.277 1232 H SER 58 H SER 58 20.263 15.977 3.180 1233 HA SER 58 HA SER 58 20.242 17.818 0.957 1234 HB2 SER 58 HB1 SER 58 20.458 15.206 1.009 1235 HB3 SER 58 HB2 SER 58 18.678 15.248 0.980 1236 HG SER 58 HG SER 58 19.602 15.239 -1.127 1237 H LEU 59 H LEU 59 17.805 16.920 3.400 1238 HA LEU 59 HA LEU 59 15.762 18.601 2.245 1239 HB2 LEU 59 HB1 LEU 59 16.239 17.871 5.149 1240 HB3 LEU 59 HB2 LEU 59 14.748 18.551 4.454 1241 HG LEU 59 HG LEU 59 15.906 15.799 3.886 1242 HD11 LEU 59 HD11 LEU 59 13.913 15.000 5.119 1243 HD12 LEU 59 HD12 LEU 59 14.929 16.044 6.141 1244 HD13 LEU 59 HD13 LEU 59 13.431 16.685 5.428 1245 HD21 LEU 59 HD21 LEU 59 13.812 15.377 2.644 1246 HD22 LEU 59 HD22 LEU 59 13.313 17.062 2.915 1247 HD23 LEU 59 HD23 LEU 59 14.740 16.706 1.913 1248 H ASP 60 H ASP 60 18.170 19.168 4.843 1249 HA ASP 60 HA ASP 60 17.632 21.831 5.433 1250 HB2 ASP 60 HB1 ASP 60 19.363 19.883 6.297 1251 HB3 ASP 60 HB2 ASP 60 20.485 21.043 5.553 1252 H LYS 61 H LYS 61 19.565 20.602 2.754 1253 HA LYS 61 HA LYS 61 21.250 22.630 2.056 1254 HB2 LYS 61 HB1 LYS 61 20.329 20.240 0.995 1255 HB3 LYS 61 HB2 LYS 61 19.815 21.428 -0.228 1256 HG2 LYS 61 HG1 LYS 61 22.638 20.937 0.770 1257 HG3 LYS 61 HG2 LYS 61 21.975 20.507 -0.825 1258 HD2 LYS 61 HD1 LYS 61 22.297 23.341 0.223 1259 HD3 LYS 61 HD2 LYS 61 23.426 22.522 -0.883 1260 HE2 LYS 61 HE1 LYS 61 22.065 22.800 -2.683 1261 HE3 LYS 61 HE2 LYS 61 20.591 22.474 -1.746 1262 HZ1 LYS 61 HZ1 LYS 61 20.654 24.723 -2.551 1263 HZ2 LYS 61 HZ2 LYS 61 20.709 24.708 -0.904 1264 HZ3 LYS 61 HZ3 LYS 61 22.078 25.010 -1.773 1265 H ASN 62 H ASN 62 17.743 22.528 1.351 1266 HA ASN 62 HA ASN 62 17.979 25.183 0.013 1267 HB2 ASN 62 HB1 ASN 62 15.908 22.979 -0.268 1268 HB3 ASN 62 HB2 ASN 62 15.841 24.554 -1.089 1269 HD21 ASN 62 HD21 ASN 62 15.850 22.067 -2.481 1270 HD22 ASN 62 HD22 ASN 62 17.347 21.940 -3.390 1271 H SER 63 H SER 63 15.632 23.320 2.006 1272 HA SER 63 HA SER 63 14.521 23.752 3.879 1273 HB2 SER 63 HB1 SER 63 16.532 25.987 4.188 1274 HB3 SER 63 HB2 SER 63 15.296 25.618 5.415 1275 HG SER 63 HG SER 63 17.295 24.564 5.820 1276 H ASP 64 H ASP 64 14.073 25.749 1.324 1277 HA ASP 64 HA ASP 64 12.052 27.488 2.655 1278 HB2 ASP 64 HB1 ASP 64 12.157 28.724 0.515 1279 HB3 ASP 64 HB2 ASP 64 13.790 28.521 1.185 1280 H GLN 65 H GLN 65 12.562 25.081 0.092 1281 HA GLN 65 HA GLN 65 10.006 25.386 -1.097 1282 HB2 GLN 65 HB1 GLN 65 11.022 22.824 -1.729 1283 HB3 GLN 65 HB2 GLN 65 11.011 24.295 -2.729 1284 HG2 GLN 65 HG1 GLN 65 13.241 24.842 -2.113 1285 HG3 GLN 65 HG2 GLN 65 13.258 23.625 -0.816 1286 HE21 GLN 65 HE12 GLN 65 12.653 23.787 -4.395 1287 HE22 GLN 65 HE22 GLN 65 13.506 22.303 -4.746 1288 H GLU 66 H GLU 66 8.192 24.363 -0.913 1289 HA GLU 66 HA GLU 66 7.678 22.574 1.262 1290 HB2 GLU 66 HB1 GLU 66 6.022 23.512 -1.093 1291 HB3 GLU 66 HB2 GLU 66 5.411 22.377 0.135 1292 HG2 GLU 66 HG1 GLU 66 5.886 24.112 1.885 1293 HG3 GLU 66 HG2 GLU 66 6.326 25.242 0.588 1294 H ILE 67 H ILE 67 7.079 20.512 1.263 1295 HA ILE 67 HA ILE 67 7.263 18.823 -1.149 1296 HB ILE 67 HB ILE 67 8.012 17.129 0.888 1297 HG12 ILE 67 HG13 ILE 67 9.567 19.680 1.337 1298 HG13 ILE 67 HG12 ILE 67 8.556 18.801 2.510 1299 HG21 ILE 67 HG21 ILE 67 10.145 17.025 -0.326 1300 HG22 ILE 67 HG22 ILE 67 8.759 17.147 -1.434 1301 HG23 ILE 67 HG23 ILE 67 9.771 18.576 -1.111 1302 HD11 ILE 67 HD11 ILE 67 10.959 18.382 2.913 1303 HD12 ILE 67 HD12 ILE 67 10.115 16.895 2.428 1304 HD13 ILE 67 HD13 ILE 67 11.125 17.772 1.253 1305 H ASP 68 H ASP 68 6.020 16.892 -0.994 1306 HA ASP 68 HA ASP 68 3.833 16.987 1.002 1307 HB2 ASP 68 HB1 ASP 68 2.324 16.673 -0.602 1308 HB3 ASP 68 HB2 ASP 68 3.614 17.186 -1.711 1309 H PHE 69 H PHE 69 2.722 14.681 0.931 1310 HA PHE 69 HA PHE 69 4.088 13.047 2.659 1311 HB2 PHE 69 HB1 PHE 69 1.880 12.301 0.713 1312 HB3 PHE 69 HB2 PHE 69 2.269 11.460 2.222 1313 HD1 PHE 69 HD1 PHE 69 0.725 14.468 0.733 1314 HD2 PHE 69 HD2 PHE 69 1.584 12.347 4.381 1315 HE1 PHE 69 HE1 PHE 69 -0.945 15.858 1.935 1316 HE2 PHE 69 HE2 PHE 69 -0.107 13.719 5.573 1317 HZ PHE 69 HZ PHE 69 -1.388 15.459 4.346 1318 H LYS 70 H LYS 70 4.764 13.042 -0.792 1319 HA LYS 70 HA LYS 70 5.247 10.181 -1.001 1320 HB2 LYS 70 HB1 LYS 70 5.430 12.578 -2.747 1321 HB3 LYS 70 HB2 LYS 70 6.535 11.240 -3.139 1322 HG2 LYS 70 HG1 LYS 70 4.676 10.722 -4.437 1323 HG3 LYS 70 HG2 LYS 70 4.373 9.759 -2.971 1324 HD2 LYS 70 HD1 LYS 70 2.309 10.753 -3.196 1325 HD3 LYS 70 HD2 LYS 70 3.121 11.992 -2.207 1326 HE2 LYS 70 HE1 LYS 70 3.716 13.209 -4.323 1327 HE3 LYS 70 HE2 LYS 70 2.759 12.019 -5.231 1328 HZ1 LYS 70 HZ1 LYS 70 1.499 13.987 -4.743 1329 HZ2 LYS 70 HZ2 LYS 70 0.844 12.689 -3.966 1330 HZ3 LYS 70 HZ3 LYS 70 1.732 13.792 -3.122 1331 H GLU 71 H GLU 71 7.462 13.024 -1.206 1332 HA GLU 71 HA GLU 71 9.914 11.801 -0.678 1333 HB2 GLU 71 HB1 GLU 71 8.715 14.483 0.068 1334 HB3 GLU 71 HB2 GLU 71 10.373 14.053 0.552 1335 HG2 GLU 71 HG1 GLU 71 9.864 13.472 -2.276 1336 HG3 GLU 71 HG2 GLU 71 9.593 15.184 -1.887 1337 H TYR 72 H TYR 72 7.344 12.803 1.633 1338 HA TYR 72 HA TYR 72 8.877 12.281 3.996 1339 HB2 TYR 72 HB1 TYR 72 7.057 13.756 4.110 1340 HB3 TYR 72 HB2 TYR 72 5.962 12.611 3.318 1341 HD1 TYR 72 HD2 TYR 72 8.157 12.368 6.389 1342 HD2 TYR 72 HD1 TYR 72 4.230 11.906 4.700 1343 HE1 TYR 72 HE2 TYR 72 7.231 12.036 8.663 1344 HE2 TYR 72 HE1 TYR 72 3.300 11.509 6.975 1345 HH TYR 72 HH TYR 72 5.370 11.752 9.931 1346 H SER 73 H SER 73 6.518 10.259 2.198 1347 HA SER 73 HA SER 73 6.738 8.027 3.977 1348 HB2 SER 73 HB1 SER 73 5.542 6.783 2.166 1349 HB3 SER 73 HB2 SER 73 4.725 8.250 2.759 1350 HG SER 73 HG SER 73 4.677 8.065 0.475 1351 H VAL 74 H VAL 74 8.372 8.683 0.769 1352 HA VAL 74 HA VAL 74 9.768 6.180 0.907 1353 HB VAL 74 HB VAL 74 11.223 6.895 -0.836 1354 HG11 VAL 74 HG11 VAL 74 9.570 7.248 -2.618 1355 HG12 VAL 74 HG12 VAL 74 9.013 6.064 -1.416 1356 HG13 VAL 74 HG13 VAL 74 8.369 7.723 -1.397 1357 HG21 VAL 74 HG21 VAL 74 11.135 9.076 -1.962 1358 HG22 VAL 74 HG22 VAL 74 10.003 9.656 -0.727 1359 HG23 VAL 74 HG23 VAL 74 11.668 9.213 -0.277 1360 H PHE 75 H PHE 75 10.579 9.437 2.140 1361 HA PHE 75 HA PHE 75 13.292 8.807 2.829 1362 HB2 PHE 75 HB1 PHE 75 12.223 11.084 2.582 1363 HB3 PHE 75 HB2 PHE 75 11.444 10.806 4.149 1364 HD1 PHE 75 HD1 PHE 75 13.191 10.126 6.118 1365 HD2 PHE 75 HD2 PHE 75 14.135 12.322 2.537 1366 HE1 PHE 75 HE1 PHE 75 15.169 11.122 7.244 1367 HE2 PHE 75 HE2 PHE 75 16.069 13.364 3.684 1368 HZ PHE 75 HZ PHE 75 16.623 12.715 6.015 1369 H LEU 76 H LEU 76 10.191 8.674 4.790 1370 HA LEU 76 HA LEU 76 11.395 7.515 7.082 1371 HB2 LEU 76 HB1 LEU 76 8.624 7.392 5.883 1372 HB3 LEU 76 HB2 LEU 76 9.031 6.503 7.372 1373 HG LEU 76 HG LEU 76 9.321 9.511 7.022 1374 HD11 LEU 76 HD11 LEU 76 7.268 9.631 8.409 1375 HD12 LEU 76 HD12 LEU 76 6.962 8.761 6.887 1376 HD13 LEU 76 HD13 LEU 76 7.160 7.854 8.405 1377 HD21 LEU 76 HD21 LEU 76 9.519 9.537 9.491 1378 HD22 LEU 76 HD22 LEU 76 9.423 7.761 9.515 1379 HD23 LEU 76 HD23 LEU 76 10.815 8.568 8.751 1380 H THR 77 H THR 77 10.088 5.951 4.131 1381 HA THR 77 HA THR 77 10.411 3.245 4.977 1382 HB THR 77 HB THR 77 10.302 4.557 2.244 1383 HG1 THR 77 HG1 THR 77 8.136 3.821 2.444 1384 HG21 THR 77 HG21 THR 77 9.667 2.337 1.377 1385 HG22 THR 77 HG22 THR 77 11.312 2.322 2.052 1386 HG23 THR 77 HG23 THR 77 9.961 1.630 2.982 1387 H MET 78 H MET 78 12.494 5.343 2.980 1388 HA MET 78 HA MET 78 14.713 3.619 2.677 1389 HB2 MET 78 HB1 MET 78 14.409 5.575 1.314 1390 HB3 MET 78 HB2 MET 78 14.420 6.638 2.742 1391 HG2 MET 78 HG1 MET 78 16.707 6.482 3.014 1392 HG3 MET 78 HG2 MET 78 16.817 4.943 2.143 1393 HE1 MET 78 HE1 MET 78 15.972 8.926 -0.106 1394 HE2 MET 78 HE2 MET 78 14.742 7.962 0.740 1395 HE3 MET 78 HE3 MET 78 16.000 8.815 1.667 1396 H LEU 79 H LEU 79 14.028 6.079 5.218 1397 HA LEU 79 HA LEU 79 16.414 5.784 6.686 1398 HB2 LEU 79 HB1 LEU 79 14.852 7.650 6.869 1399 HB3 LEU 79 HB2 LEU 79 13.624 6.569 7.569 1400 HG LEU 79 HG LEU 79 14.969 6.255 9.565 1401 HD11 LEU 79 HD11 LEU 79 17.108 7.463 9.881 1402 HD12 LEU 79 HD12 LEU 79 17.207 6.329 8.513 1403 HD13 LEU 79 HD13 LEU 79 17.009 8.073 8.212 1404 HD21 LEU 79 HD21 LEU 79 14.933 8.582 10.427 1405 HD22 LEU 79 HD22 LEU 79 14.817 9.197 8.760 1406 HD23 LEU 79 HD23 LEU 79 13.485 8.239 9.450 1407 H CYS 80 H CYS 80 13.250 4.080 7.162 1408 HA CYS 80 HA CYS 80 14.057 2.351 9.241 1409 HB2 CYS 80 HB1 CYS 80 11.750 2.729 8.463 1410 HB3 CYS 80 HB2 CYS 80 12.127 1.919 6.922 1411 HG CYS 80 HG CYS 80 10.660 0.345 8.419 1412 H MET 81 H MET 81 14.455 1.967 5.704 1413 HA MET 81 HA MET 81 15.686 -0.624 5.810 1414 HB2 MET 81 HB1 MET 81 14.446 0.454 3.901 1415 HB3 MET 81 HB2 MET 81 15.861 1.503 3.655 1416 HG2 MET 81 HG1 MET 81 17.256 -0.411 3.153 1417 HG3 MET 81 HG2 MET 81 15.940 -1.528 3.552 1418 HE1 MET 81 HE1 MET 81 13.777 -1.786 0.557 1419 HE2 MET 81 HE2 MET 81 14.659 -2.655 1.837 1420 HE3 MET 81 HE3 MET 81 13.524 -1.352 2.266 1421 H ALA 82 H ALA 82 16.963 2.585 6.385 1422 HA ALA 82 HA ALA 82 19.668 2.119 5.608 1423 HB1 ALA 82 HB1 ALA 82 20.118 4.231 6.804 1424 HB2 ALA 82 HB2 ALA 82 18.675 4.361 5.770 1425 HB3 ALA 82 HB3 ALA 82 18.497 4.161 7.531 1426 H TYR 83 H TYR 83 17.917 1.067 8.437 1427 HA TYR 83 HA TYR 83 20.433 0.077 9.542 1428 HB2 TYR 83 HB1 TYR 83 19.992 1.037 11.783 1429 HB3 TYR 83 HB2 TYR 83 20.332 2.251 10.537 1430 HD1 TYR 83 HD1 TYR 83 17.501 0.695 12.504 1431 HD2 TYR 83 HD2 TYR 83 18.929 4.055 10.235 1432 HE1 TYR 83 HE1 TYR 83 15.277 1.784 12.728 1433 HE2 TYR 83 HE2 TYR 83 16.764 5.204 10.588 1434 HH TYR 83 HH TYR 83 14.581 4.997 11.241 1435 H ASN 84 H ASN 84 16.953 -0.451 9.281 1436 HA ASN 84 HA ASN 84 17.031 -2.266 11.560 1437 HB2 ASN 84 HB1 ASN 84 14.862 -1.599 9.598 1438 HB3 ASN 84 HB2 ASN 84 14.709 -2.935 10.760 1439 HD21 ASN 84 HD21 ASN 84 13.376 -0.176 10.480 1440 HD22 ASN 84 HD22 ASN 84 13.520 0.524 12.081 1441 H ASP 85 H ASP 85 18.791 -3.547 10.979 1442 HA ASP 85 HA ASP 85 18.532 -5.892 9.489 1443 HB2 ASP 85 HB1 ASP 85 19.741 -6.913 11.421 1444 HB3 ASP 85 HB2 ASP 85 20.464 -5.408 10.811 1445 H PHE 86 H PHE 86 18.112 -8.059 10.980 1446 HA PHE 86 HA PHE 86 16.533 -9.628 11.081 1447 HB2 PHE 86 HB1 PHE 86 15.823 -8.397 13.144 1448 HB3 PHE 86 HB2 PHE 86 14.597 -7.571 12.167 1449 HD1 PHE 86 HD2 PHE 86 12.679 -8.816 11.226 1450 HD2 PHE 86 HD1 PHE 86 15.586 -10.748 13.749 1451 HE1 PHE 86 HE2 PHE 86 11.179 -10.786 11.447 1452 HE2 PHE 86 HE1 PHE 86 14.075 -12.703 13.992 1453 HZ PHE 86 HZ PHE 86 11.880 -12.734 12.823 1454 H PHE 87 H PHE 87 14.956 -6.626 9.867 1455 HA PHE 87 HA PHE 87 13.225 -8.035 8.038 1456 HB2 PHE 87 HB1 PHE 87 13.985 -5.109 8.326 1457 HB3 PHE 87 HB2 PHE 87 12.705 -5.715 7.260 1458 HD1 PHE 87 HD2 PHE 87 10.638 -6.712 8.217 1459 HD2 PHE 87 HD1 PHE 87 13.647 -4.918 10.719 1460 HE1 PHE 87 HE2 PHE 87 9.024 -6.631 10.104 1461 HE2 PHE 87 HE1 PHE 87 12.023 -4.808 12.595 1462 HZ PHE 87 HZ PHE 87 9.708 -5.666 12.289 1463 H LEU 88 H LEU 88 16.528 -6.957 7.776 1464 HA LEU 88 HA LEU 88 16.835 -6.496 5.056 1465 HB2 LEU 88 HB1 LEU 88 19.114 -6.933 5.337 1466 HB3 LEU 88 HB2 LEU 88 18.516 -6.222 6.856 1467 HG LEU 88 HG LEU 88 20.050 -7.723 7.558 1468 HD11 LEU 88 HD11 LEU 88 18.939 -9.613 8.684 1469 HD12 LEU 88 HD12 LEU 88 17.977 -8.126 8.771 1470 HD13 LEU 88 HD13 LEU 88 17.539 -9.407 7.615 1471 HD21 LEU 88 HD21 LEU 88 20.424 -10.038 6.812 1472 HD22 LEU 88 HD22 LEU 88 19.098 -9.861 5.649 1473 HD23 LEU 88 HD23 LEU 88 20.572 -8.876 5.482 1474 H GLU 89 H GLU 89 17.547 -7.772 3.249 1475 HA GLU 89 HA GLU 89 16.200 -10.322 3.037 1476 HB2 GLU 89 HB1 GLU 89 16.405 -8.897 1.106 1477 HB3 GLU 89 HB2 GLU 89 18.181 -8.883 1.245 1478 HG2 GLU 89 HG1 GLU 89 18.377 -11.112 0.504 1479 HG3 GLU 89 HG2 GLU 89 16.676 -11.481 0.858 1480 H ASP 90 H ASP 90 19.564 -9.470 2.735 1481 HA ASP 90 HA ASP 90 20.856 -11.301 4.428 1482 HB2 ASP 90 HB1 ASP 90 20.152 -13.052 2.863 1483 HB3 ASP 90 HB2 ASP 90 20.850 -12.142 1.505 1484 H ASN 91 H ASN 91 21.250 -9.621 1.162 1485 HA ASN 91 HA ASN 91 21.427 -7.378 1.121 1486 HB2 ASN 91 HB1 ASN 91 20.373 -7.740 3.525 1487 HB3 ASN 91 HB2 ASN 91 21.929 -7.055 4.043 1488 HD21 ASN 91 HD21 ASN 91 22.487 -5.095 2.223 1489 HD22 ASN 91 HD22 ASN 91 21.198 -3.903 2.164 1490 H LYS 92 H LYS 92 23.709 -9.111 0.799 1491 HA LYS 92 HA LYS 92 25.904 -7.205 1.090 1492 HB2 LYS 92 HB1 LYS 92 25.582 -9.697 -0.607 1493 HB3 LYS 92 HB2 LYS 92 27.050 -8.690 -0.566 1494 HG2 LYS 92 HG1 LYS 92 27.613 -10.337 0.943 1495 HG3 LYS 92 HG2 LYS 92 26.905 -9.118 2.031 1496 HD2 LYS 92 HD1 LYS 92 24.701 -10.419 1.782 1497 HD3 LYS 92 HD2 LYS 92 25.681 -11.716 1.059 1498 HE2 LYS 92 HE1 LYS 92 26.822 -12.148 3.054 1499 HE3 LYS 92 HE2 LYS 92 26.506 -10.526 3.707 1500 HZ1 LYS 92 HZ1 LYS 92 25.154 -12.185 4.759 1501 HZ2 LYS 92 HZ2 LYS 92 24.202 -11.130 3.921 1502 HZ3 LYS 92 HZ3 LYS 92 24.494 -12.636 3.315 Start of MODEL 12 1 HA MET 1 HA MET 1 12.214 1.928 18.625 2 HB2 MET 1 HB1 MET 1 12.359 3.780 21.028 3 HB3 MET 1 HB2 MET 1 12.565 2.014 21.083 4 HG2 MET 1 HG1 MET 1 14.505 2.245 19.521 5 HG3 MET 1 HG2 MET 1 14.332 4.005 19.617 6 HE1 MET 1 HE1 MET 1 16.967 4.710 22.113 7 HE2 MET 1 HE2 MET 1 16.812 4.403 20.369 8 HE3 MET 1 HE3 MET 1 15.619 5.428 21.201 9 H GLU 2 H GLU 2 9.518 4.086 18.845 10 HA GLU 2 HA GLU 2 7.923 2.626 20.721 11 HB2 GLU 2 HB1 GLU 2 8.299 3.852 22.723 12 HB3 GLU 2 HB2 GLU 2 9.896 3.338 22.132 13 HG2 GLU 2 HG1 GLU 2 8.733 6.132 21.899 14 HG3 GLU 2 HG2 GLU 2 9.926 5.598 23.104 15 H THR 3 H THR 3 8.659 5.677 19.057 16 HA THR 3 HA THR 3 6.566 7.261 20.128 17 HB THR 3 HB THR 3 7.170 8.928 18.723 18 HG1 THR 3 HG1 THR 3 8.082 8.616 16.650 19 HG21 THR 3 HG21 THR 3 9.596 9.024 18.346 20 HG22 THR 3 HG22 THR 3 9.191 8.354 19.936 21 HG23 THR 3 HG23 THR 3 9.687 7.274 18.611 22 HA PRO 4 HA PRO 4 3.127 6.173 17.487 23 HB2 PRO 4 HB1 PRO 4 1.946 8.455 16.566 24 HB3 PRO 4 HB2 PRO 4 1.849 7.907 18.271 25 HG2 PRO 4 HG1 PRO 4 3.621 10.021 17.091 26 HG3 PRO 4 HG2 PRO 4 2.760 10.039 18.665 27 HD2 PRO 4 HD1 PRO 4 5.456 9.392 18.318 28 HD3 PRO 4 HD2 PRO 4 4.452 8.805 19.678 29 H LEU 5 H LEU 5 5.109 8.821 15.924 30 HA LEU 5 HA LEU 5 4.372 8.029 13.299 31 HB2 LEU 5 HB1 LEU 5 5.199 10.271 13.843 32 HB3 LEU 5 HB2 LEU 5 6.809 9.597 14.190 33 HG LEU 5 HG LEU 5 7.063 8.897 11.870 34 HD11 LEU 5 HD11 LEU 5 5.410 9.472 10.115 35 HD12 LEU 5 HD12 LEU 5 4.717 8.363 11.318 36 HD13 LEU 5 HD13 LEU 5 4.309 10.094 11.362 37 HD21 LEU 5 HD21 LEU 5 7.144 11.134 10.807 38 HD22 LEU 5 HD22 LEU 5 6.075 11.774 12.077 39 HD23 LEU 5 HD23 LEU 5 7.708 11.200 12.494 40 H GLU 6 H GLU 6 7.430 7.259 15.116 41 HA GLU 6 HA GLU 6 8.658 5.742 13.098 42 HB2 GLU 6 HB1 GLU 6 10.092 4.963 14.712 43 HB3 GLU 6 HB2 GLU 6 9.460 6.442 15.472 44 HG2 GLU 6 HG1 GLU 6 9.362 5.054 17.264 45 HG3 GLU 6 HG2 GLU 6 7.764 4.707 16.569 46 H LYS 7 H LYS 7 5.910 4.949 15.103 47 HA LYS 7 HA LYS 7 6.288 2.063 14.693 48 HB2 LYS 7 HB1 LYS 7 6.141 3.135 16.878 49 HB3 LYS 7 HB2 LYS 7 4.490 3.671 16.481 50 HG2 LYS 7 HG1 LYS 7 4.872 0.776 16.160 51 HG3 LYS 7 HG2 LYS 7 5.158 1.349 17.820 52 HD2 LYS 7 HD1 LYS 7 2.709 1.839 16.092 53 HD3 LYS 7 HD2 LYS 7 2.803 0.851 17.570 54 HE2 LYS 7 HE1 LYS 7 2.784 3.845 17.262 55 HE3 LYS 7 HE2 LYS 7 1.814 2.813 18.336 56 HZ1 LYS 7 HZ1 LYS 7 3.443 4.081 19.554 57 HZ2 LYS 7 HZ2 LYS 7 3.772 2.473 19.669 58 HZ3 LYS 7 HZ3 LYS 7 4.672 3.430 18.673 59 H ALA 8 H ALA 8 4.290 4.656 13.442 60 HA ALA 8 HA ALA 8 2.490 3.116 11.920 61 HB1 ALA 8 HB1 ALA 8 2.700 4.966 10.294 62 HB2 ALA 8 HB2 ALA 8 2.580 5.587 11.960 63 HB3 ALA 8 HB3 ALA 8 4.158 5.548 11.136 64 H LEU 9 H LEU 9 5.991 3.882 11.178 65 HA LEU 9 HA LEU 9 6.099 2.148 8.926 66 HB2 LEU 9 HB1 LEU 9 8.332 3.062 10.750 67 HB3 LEU 9 HB2 LEU 9 8.557 2.188 9.217 68 HG LEU 9 HG LEU 9 9.077 4.420 8.801 69 HD11 LEU 9 HD11 LEU 9 7.425 5.134 7.108 70 HD12 LEU 9 HD12 LEU 9 7.725 3.385 7.042 71 HD13 LEU 9 HD13 LEU 9 6.240 4.007 7.802 72 HD21 LEU 9 HD21 LEU 9 7.634 6.366 9.279 73 HD22 LEU 9 HD22 LEU 9 6.452 5.289 10.051 74 HD23 LEU 9 HD23 LEU 9 8.072 5.490 10.760 75 H THR 10 H THR 10 6.684 1.509 12.438 76 HA THR 10 HA THR 10 7.710 -1.129 12.054 77 HB THR 10 HB THR 10 6.273 0.009 14.482 78 HG1 THR 10 HG1 THR 10 8.467 0.477 15.024 79 HG21 THR 10 HG21 THR 10 7.659 -1.646 15.704 80 HG22 THR 10 HG22 THR 10 6.571 -2.457 14.552 81 HG23 THR 10 HG23 THR 10 8.295 -2.255 14.157 82 H THR 11 H THR 11 4.366 0.010 12.662 83 HA THR 11 HA THR 11 2.934 -2.390 12.420 84 HB THR 11 HB THR 11 2.227 0.405 11.457 85 HG1 THR 11 HG1 THR 11 1.254 0.487 13.534 86 HG21 THR 11 HG21 THR 11 -0.145 -0.228 11.758 87 HG22 THR 11 HG22 THR 11 0.642 -1.227 10.518 88 HG23 THR 11 HG23 THR 11 0.354 -1.887 12.146 89 H MET 12 H MET 12 4.115 -0.202 9.822 90 HA MET 12 HA MET 12 2.840 -1.634 7.700 91 HB2 MET 12 HB1 MET 12 5.107 0.377 7.731 92 HB3 MET 12 HB2 MET 12 4.414 -0.299 6.237 93 HG2 MET 12 HG1 MET 12 2.341 0.737 6.577 94 HG3 MET 12 HG2 MET 12 2.635 0.979 8.307 95 HE1 MET 12 HE1 MET 12 2.960 4.109 5.160 96 HE2 MET 12 HE2 MET 12 2.976 2.393 4.703 97 HE3 MET 12 HE3 MET 12 1.654 3.034 5.709 98 H VAL 13 H VAL 13 6.271 -1.689 8.850 99 HA VAL 13 HA VAL 13 7.077 -3.583 6.868 100 HB VAL 13 HB VAL 13 9.131 -3.890 8.091 101 HG11 VAL 13 HG11 VAL 13 9.982 -1.573 7.987 102 HG12 VAL 13 HG12 VAL 13 8.904 -1.942 6.624 103 HG13 VAL 13 HG13 VAL 13 8.312 -0.967 7.989 104 HG21 VAL 13 HG21 VAL 13 9.670 -2.715 10.186 105 HG22 VAL 13 HG22 VAL 13 7.992 -2.147 10.287 106 HG23 VAL 13 HG23 VAL 13 8.353 -3.886 10.400 107 H THR 14 H THR 14 5.846 -3.972 10.192 108 HA THR 14 HA THR 14 6.357 -6.741 10.529 109 HB THR 14 HB THR 14 4.100 -5.016 11.613 110 HG1 THR 14 HG1 THR 14 5.538 -4.936 13.413 111 HG21 THR 14 HG21 THR 14 3.990 -6.665 13.468 112 HG22 THR 14 HG22 THR 14 3.612 -7.428 11.909 113 HG23 THR 14 HG23 THR 14 5.214 -7.658 12.648 114 H THR 15 H THR 15 3.717 -5.015 8.907 115 HA THR 15 HA THR 15 2.084 -7.376 8.462 116 HB THR 15 HB THR 15 1.902 -4.574 7.306 117 HG1 THR 15 HG1 THR 15 0.410 -4.325 9.047 118 HG21 THR 15 HG21 THR 15 -0.505 -5.104 7.015 119 HG22 THR 15 HG22 THR 15 0.515 -6.220 6.083 120 HG23 THR 15 HG23 THR 15 -0.209 -6.749 7.620 121 H PHE 16 H PHE 16 4.059 -5.221 6.375 122 HA PHE 16 HA PHE 16 3.613 -6.534 3.897 123 HB2 PHE 16 HB1 PHE 16 4.419 -4.255 4.172 124 HB3 PHE 16 HB2 PHE 16 5.887 -4.836 4.978 125 HD1 PHE 16 HD1 PHE 16 7.549 -6.231 3.589 126 HD2 PHE 16 HD2 PHE 16 4.397 -3.892 1.828 127 HE1 PHE 16 HE1 PHE 16 8.810 -6.110 1.462 128 HE2 PHE 16 HE2 PHE 16 5.716 -3.687 -0.265 129 HZ PHE 16 HZ PHE 16 7.944 -4.787 -0.445 130 H HIS 17 H HIS 17 6.091 -7.065 6.399 131 HA HIS 17 HA HIS 17 7.769 -8.942 5.241 132 HB2 HIS 17 HB1 HIS 17 8.074 -7.967 7.446 133 HB3 HIS 17 HB2 HIS 17 6.604 -8.760 8.042 134 HD1 HIS 17 HD1 HIS 17 6.961 -11.141 9.091 135 HD2 HIS 17 HD2 HIS 17 10.209 -9.654 6.884 136 HE1 HIS 17 HE1 HIS 17 8.898 -12.764 9.464 137 HE2 HIS 17 HE2 HIS 17 10.911 -11.858 8.155 138 H LYS 18 H LYS 18 4.475 -9.556 6.578 139 HA LYS 18 HA LYS 18 4.632 -12.396 6.527 140 HB2 LYS 18 HB1 LYS 18 2.218 -10.548 6.420 141 HB3 LYS 18 HB2 LYS 18 2.167 -12.289 6.787 142 HG2 LYS 18 HG1 LYS 18 3.456 -11.948 8.819 143 HG3 LYS 18 HG2 LYS 18 3.688 -10.228 8.428 144 HD2 LYS 18 HD1 LYS 18 1.955 -10.457 10.128 145 HD3 LYS 18 HD2 LYS 18 1.228 -9.884 8.608 146 HE2 LYS 18 HE1 LYS 18 0.477 -12.175 8.090 147 HE3 LYS 18 HE2 LYS 18 1.226 -12.768 9.587 148 HZ1 LYS 18 HZ1 LYS 18 -1.122 -12.409 9.852 149 HZ2 LYS 18 HZ2 LYS 18 -0.278 -11.374 10.819 150 HZ3 LYS 18 HZ3 LYS 18 -0.974 -10.823 9.430 151 H TYR 19 H TYR 19 4.048 -10.166 3.904 152 HA TYR 19 HA TYR 19 3.079 -12.356 2.145 153 HB2 TYR 19 HB1 TYR 19 3.251 -9.355 1.719 154 HB3 TYR 19 HB2 TYR 19 2.584 -10.522 0.564 155 HD1 TYR 19 HD2 TYR 19 2.091 -8.981 3.911 156 HD2 TYR 19 HD1 TYR 19 0.310 -11.286 0.742 157 HE1 TYR 19 HE2 TYR 19 -0.154 -8.560 4.884 158 HE2 TYR 19 HE1 TYR 19 -1.936 -10.918 1.738 159 HH TYR 19 HH TYR 19 -2.390 -8.949 4.718 160 H SER 20 H SER 20 5.940 -10.604 2.943 161 HA SER 20 HA SER 20 7.341 -11.157 0.412 162 HB2 SER 20 HB1 SER 20 8.358 -10.080 3.075 163 HB3 SER 20 HB2 SER 20 9.216 -10.037 1.516 164 HG SER 20 HG SER 20 8.180 -8.049 2.017 165 H GLY 21 H GLY 21 7.666 -12.097 3.859 166 HA2 GLY 21 HA2 GLY 21 9.041 -14.124 2.875 167 H ARG 22 H ARG 22 7.185 -14.649 1.933 168 HA ARG 22 HA ARG 22 6.005 -17.029 3.024 169 HB2 ARG 22 HB1 ARG 22 6.136 -15.758 0.278 170 HB3 ARG 22 HB2 ARG 22 5.357 -17.337 0.536 171 HG2 ARG 22 HG1 ARG 22 3.867 -16.310 2.236 172 HG3 ARG 22 HG2 ARG 22 4.629 -14.729 1.935 173 HD2 ARG 22 HD1 ARG 22 3.659 -14.521 -0.192 174 HD3 ARG 22 HD2 ARG 22 3.384 -16.269 -0.350 175 HE ARG 22 HE ARG 22 1.914 -14.915 1.812 176 HH11 ARG 22 HH12 ARG 22 1.763 -15.883 -1.567 177 HH12 ARG 22 HH11 ARG 22 0.024 -16.032 -1.564 178 HH21 ARG 22 HH22 ARG 22 -0.349 -15.237 1.790 179 HH22 ARG 22 HH21 ARG 22 -1.151 -15.673 0.301 180 H GLU 23 H GLU 23 8.841 -16.411 0.997 181 HA GLU 23 HA GLU 23 9.770 -19.187 1.455 182 HB2 GLU 23 HB1 GLU 23 9.700 -17.694 -1.187 183 HB3 GLU 23 HB2 GLU 23 10.762 -19.093 -0.897 184 HG2 GLU 23 HG1 GLU 23 8.744 -20.466 -0.374 185 HG3 GLU 23 HG2 GLU 23 7.722 -19.071 -0.786 186 H GLY 24 H GLY 24 10.497 -15.760 1.275 187 HA2 GLY 24 HA2 GLY 24 12.160 -15.482 2.567 188 H SER 25 H SER 25 14.295 -13.899 0.749 189 HA SER 25 HA SER 25 14.387 -11.649 0.431 190 HB2 SER 25 HB1 SER 25 12.920 -10.935 -1.396 191 HB3 SER 25 HB2 SER 25 13.567 -12.573 -1.653 192 HG SER 25 HG SER 25 11.331 -12.412 -2.148 193 H LYS 26 H LYS 26 13.658 -11.348 2.985 194 HA LYS 26 HA LYS 26 10.830 -11.227 3.352 195 HB2 LYS 26 HB1 LYS 26 11.338 -11.153 5.651 196 HB3 LYS 26 HB2 LYS 26 12.661 -12.078 4.900 197 HG2 LYS 26 HG1 LYS 26 13.944 -9.842 4.824 198 HG3 LYS 26 HG2 LYS 26 12.701 -9.230 5.942 199 HD2 LYS 26 HD1 LYS 26 14.542 -11.592 6.416 200 HD3 LYS 26 HD2 LYS 26 14.685 -9.978 7.152 201 HE2 LYS 26 HE1 LYS 26 12.452 -10.339 8.230 202 HE3 LYS 26 HE2 LYS 26 12.463 -11.999 7.595 203 HZ1 LYS 26 HZ1 LYS 26 13.292 -11.896 9.832 204 HZ2 LYS 26 HZ2 LYS 26 14.491 -12.380 8.808 205 HZ3 LYS 26 HZ3 LYS 26 14.481 -10.838 9.395 206 H LEU 27 H LEU 27 12.654 -8.797 2.157 207 HA LEU 27 HA LEU 27 10.984 -6.565 3.176 208 HB2 LEU 27 HB1 LEU 27 13.768 -6.544 1.965 209 HB3 LEU 27 HB2 LEU 27 12.886 -5.140 2.611 210 HG LEU 27 HG LEU 27 14.021 -7.473 4.181 211 HD11 LEU 27 HD11 LEU 27 15.500 -5.690 5.065 212 HD12 LEU 27 HD12 LEU 27 15.623 -5.804 3.294 213 HD13 LEU 27 HD13 LEU 27 14.676 -4.494 4.036 214 HD21 LEU 27 HD21 LEU 27 13.375 -6.265 6.242 215 HD22 LEU 27 HD22 LEU 27 12.534 -5.049 5.258 216 HD23 LEU 27 HD23 LEU 27 11.950 -6.731 5.291 217 H THR 28 H THR 28 11.195 -8.566 0.511 218 HA THR 28 HA THR 28 9.893 -6.538 -1.182 219 HB THR 28 HB THR 28 11.035 -7.412 -3.203 220 HG1 THR 28 HG1 THR 28 13.004 -8.541 -2.849 221 HG21 THR 28 HG21 THR 28 13.189 -6.223 -2.906 222 HG22 THR 28 HG22 THR 28 11.840 -5.310 -2.200 223 HG23 THR 28 HG23 THR 28 12.941 -6.234 -1.149 224 H LEU 29 H LEU 29 8.484 -7.369 -2.812 225 HA LEU 29 HA LEU 29 7.878 -10.222 -2.844 226 HB2 LEU 29 HB1 LEU 29 5.745 -10.228 -1.994 227 HB3 LEU 29 HB2 LEU 29 6.621 -9.153 -0.878 228 HG LEU 29 HG LEU 29 4.716 -8.290 -3.081 229 HD11 LEU 29 HD11 LEU 29 3.268 -7.608 -1.185 230 HD12 LEU 29 HD12 LEU 29 3.617 -9.352 -1.131 231 HD13 LEU 29 HD13 LEU 29 4.476 -8.238 -0.039 232 HD21 LEU 29 HD21 LEU 29 4.924 -6.017 -2.121 233 HD22 LEU 29 HD22 LEU 29 6.144 -6.617 -0.976 234 HD23 LEU 29 HD23 LEU 29 6.488 -6.609 -2.722 235 H SER 30 H SER 30 6.100 -10.781 -4.429 236 HA SER 30 HA SER 30 6.680 -9.261 -6.860 237 HB2 SER 30 HB1 SER 30 5.558 -11.117 -8.044 238 HB3 SER 30 HB2 SER 30 6.856 -11.680 -6.964 239 HG SER 30 HG SER 30 4.942 -12.938 -6.788 240 H ARG 31 H ARG 31 5.074 -8.676 -8.427 241 HA ARG 31 HA ARG 31 3.393 -6.703 -7.452 242 HB2 ARG 31 HB1 ARG 31 4.517 -6.924 -9.643 243 HB3 ARG 31 HB2 ARG 31 3.340 -8.182 -10.094 244 HG2 ARG 31 HG1 ARG 31 2.701 -6.108 -11.147 245 HG3 ARG 31 HG2 ARG 31 1.522 -6.471 -9.863 246 HD2 ARG 31 HD1 ARG 31 3.895 -4.898 -9.025 247 HD3 ARG 31 HD2 ARG 31 2.799 -4.073 -10.154 248 HE ARG 31 HE ARG 31 2.397 -4.560 -7.359 249 HH11 ARG 31 HH12 ARG 31 0.383 -4.605 -10.263 250 HH12 ARG 31 HH11 ARG 31 -0.997 -3.946 -9.428 251 HH21 ARG 31 HH22 ARG 31 0.645 -3.552 -6.393 252 HH22 ARG 31 HH21 ARG 31 -0.851 -3.361 -7.277 253 H LYS 32 H LYS 32 2.177 -9.830 -8.934 254 HA LYS 32 HA LYS 32 -0.511 -9.534 -8.297 255 HB2 LYS 32 HB1 LYS 32 1.342 -11.875 -8.570 256 HB3 LYS 32 HB2 LYS 32 -0.296 -12.164 -7.935 257 HG2 LYS 32 HG1 LYS 32 -1.309 -11.650 -9.934 258 HG3 LYS 32 HG2 LYS 32 -0.106 -10.403 -10.343 259 HD2 LYS 32 HD1 LYS 32 1.542 -12.293 -10.777 260 HD3 LYS 32 HD2 LYS 32 0.171 -13.418 -10.626 261 HE2 LYS 32 HE1 LYS 32 -0.978 -12.392 -12.479 262 HE3 LYS 32 HE2 LYS 32 0.174 -11.041 -12.525 263 HZ1 LYS 32 HZ1 LYS 32 0.606 -12.635 -14.247 264 HZ2 LYS 32 HZ2 LYS 32 1.866 -12.592 -13.185 265 HZ3 LYS 32 HZ3 LYS 32 0.796 -13.844 -13.143 266 H GLU 33 H GLU 33 2.069 -10.501 -5.993 267 HA GLU 33 HA GLU 33 0.234 -11.041 -3.832 268 HB2 GLU 33 HB1 GLU 33 2.690 -11.855 -4.193 269 HB3 GLU 33 HB2 GLU 33 3.135 -10.299 -3.453 270 HG2 GLU 33 HG1 GLU 33 3.032 -11.689 -1.584 271 HG3 GLU 33 HG2 GLU 33 1.393 -11.004 -1.605 272 H LEU 34 H LEU 34 2.391 -8.174 -4.567 273 HA LEU 34 HA LEU 34 1.645 -6.532 -2.421 274 HB2 LEU 34 HB1 LEU 34 3.433 -5.975 -3.969 275 HB3 LEU 34 HB2 LEU 34 2.278 -5.838 -5.314 276 HG LEU 34 HG LEU 34 1.225 -3.888 -4.156 277 HD11 LEU 34 HD11 LEU 34 2.446 -2.761 -2.324 278 HD12 LEU 34 HD12 LEU 34 1.906 -4.383 -1.836 279 HD13 LEU 34 HD13 LEU 34 3.609 -4.105 -2.276 280 HD21 LEU 34 HD21 LEU 34 3.065 -2.316 -4.681 281 HD22 LEU 34 HD22 LEU 34 4.223 -3.666 -4.659 282 HD23 LEU 34 HD23 LEU 34 2.952 -3.604 -5.905 283 H LYS 35 H LYS 35 0.030 -6.934 -5.576 284 HA LYS 35 HA LYS 35 -2.147 -5.185 -5.254 285 HB2 LYS 35 HB1 LYS 35 -1.409 -6.188 -7.325 286 HB3 LYS 35 HB2 LYS 35 -1.772 -7.819 -6.711 287 HG2 LYS 35 HG1 LYS 35 -4.150 -6.201 -6.628 288 HG3 LYS 35 HG2 LYS 35 -3.418 -6.113 -8.247 289 HD2 LYS 35 HD1 LYS 35 -5.019 -7.937 -8.198 290 HD3 LYS 35 HD2 LYS 35 -3.377 -8.616 -8.311 291 HE2 LYS 35 HE1 LYS 35 -3.373 -9.000 -5.867 292 HE3 LYS 35 HE2 LYS 35 -5.016 -8.333 -5.762 293 HZ1 LYS 35 HZ1 LYS 35 -5.026 -10.719 -5.805 294 HZ2 LYS 35 HZ2 LYS 35 -5.764 -10.123 -7.153 295 HZ3 LYS 35 HZ3 LYS 35 -4.238 -10.742 -7.251 296 H GLU 36 H GLU 36 -1.681 -8.433 -3.874 297 HA GLU 36 HA GLU 36 -4.432 -8.610 -2.895 298 HB2 GLU 36 HB1 GLU 36 -2.909 -10.482 -3.832 299 HB3 GLU 36 HB2 GLU 36 -2.108 -10.437 -2.243 300 HG2 GLU 36 HG1 GLU 36 -3.814 -12.188 -2.308 301 HG3 GLU 36 HG2 GLU 36 -4.251 -10.921 -1.142 302 H LEU 37 H LEU 37 -1.167 -8.170 -1.451 303 HA LEU 37 HA LEU 37 -1.737 -8.051 1.268 304 HB2 LEU 37 HB1 LEU 37 0.497 -7.993 0.722 305 HB3 LEU 37 HB2 LEU 37 0.259 -6.808 -0.584 306 HG LEU 37 HG LEU 37 0.045 -5.020 1.063 307 HD11 LEU 37 HD11 LEU 37 0.703 -5.284 3.429 308 HD12 LEU 37 HD12 LEU 37 -0.769 -6.196 3.050 309 HD13 LEU 37 HD13 LEU 37 0.791 -7.038 3.197 310 HD21 LEU 37 HD21 LEU 37 2.441 -4.970 1.709 311 HD22 LEU 37 HD22 LEU 37 2.553 -6.718 1.404 312 HD23 LEU 37 HD23 LEU 37 2.226 -5.599 0.059 313 H ILE 38 H ILE 38 -1.873 -5.332 -1.092 314 HA ILE 38 HA ILE 38 -2.770 -3.410 0.829 315 HB ILE 38 HB ILE 38 -2.904 -3.402 -2.203 316 HG12 ILE 38 HG13 ILE 38 -1.021 -1.900 -0.345 317 HG13 ILE 38 HG12 ILE 38 -0.634 -3.500 -1.022 318 HG21 ILE 38 HG21 ILE 38 -3.258 -0.953 -1.997 319 HG22 ILE 38 HG22 ILE 38 -4.588 -1.859 -1.241 320 HG23 ILE 38 HG23 ILE 38 -3.329 -1.113 -0.227 321 HD11 ILE 38 HD11 ILE 38 0.416 -1.695 -2.350 322 HD12 ILE 38 HD12 ILE 38 -0.796 -2.578 -3.304 323 HD13 ILE 38 HD13 ILE 38 -1.185 -0.977 -2.629 324 H LYS 39 H LYS 39 -4.656 -5.361 -1.623 325 HA LYS 39 HA LYS 39 -7.175 -4.436 -0.779 326 HB2 LYS 39 HB1 LYS 39 -6.124 -6.360 -2.570 327 HB3 LYS 39 HB2 LYS 39 -7.291 -7.224 -1.541 328 HG2 LYS 39 HG1 LYS 39 -7.841 -4.650 -3.057 329 HG3 LYS 39 HG2 LYS 39 -8.341 -6.278 -3.573 330 HD2 LYS 39 HD1 LYS 39 -9.787 -6.490 -1.590 331 HD3 LYS 39 HD2 LYS 39 -9.244 -4.899 -1.002 332 HE2 LYS 39 HE1 LYS 39 -10.105 -3.830 -3.040 333 HE3 LYS 39 HE2 LYS 39 -10.596 -5.412 -3.683 334 HZ1 LYS 39 HZ1 LYS 39 -12.438 -4.242 -2.697 335 HZ2 LYS 39 HZ2 LYS 39 -12.116 -5.615 -1.843 336 HZ3 LYS 39 HZ3 LYS 39 -11.662 -4.148 -1.246 337 H LYS 40 H LYS 40 -5.122 -6.809 0.891 338 HA LYS 40 HA LYS 40 -7.274 -7.631 2.682 339 HB2 LYS 40 HB1 LYS 40 -4.469 -8.364 2.128 340 HB3 LYS 40 HB2 LYS 40 -4.926 -8.454 3.846 341 HG2 LYS 40 HG1 LYS 40 -5.192 -10.599 2.673 342 HG3 LYS 40 HG2 LYS 40 -6.721 -9.980 3.342 343 HD2 LYS 40 HD1 LYS 40 -7.492 -9.336 1.134 344 HD3 LYS 40 HD2 LYS 40 -5.915 -9.743 0.417 345 HE2 LYS 40 HE1 LYS 40 -6.162 -12.079 1.032 346 HE3 LYS 40 HE2 LYS 40 -7.620 -11.724 1.984 347 HZ1 LYS 40 HZ1 LYS 40 -8.155 -12.668 -0.140 348 HZ2 LYS 40 HZ2 LYS 40 -8.726 -11.126 -0.045 349 HZ3 LYS 40 HZ3 LYS 40 -7.372 -11.453 -0.930 350 H GLU 41 H GLU 41 -4.189 -5.733 3.142 351 HA GLU 41 HA GLU 41 -4.965 -5.102 5.838 352 HB2 GLU 41 HB1 GLU 41 -3.006 -3.832 6.049 353 HB3 GLU 41 HB2 GLU 41 -2.619 -5.303 5.124 354 HG2 GLU 41 HG1 GLU 41 -1.390 -3.759 3.998 355 HG3 GLU 41 HG2 GLU 41 -2.898 -3.728 3.059 356 H LEU 42 H LEU 42 -4.977 -3.099 2.797 357 HA LEU 42 HA LEU 42 -6.444 -1.075 4.362 358 HB2 LEU 42 HB1 LEU 42 -4.408 -0.730 2.520 359 HB3 LEU 42 HB2 LEU 42 -5.875 -0.245 1.638 360 HG LEU 42 HG LEU 42 -5.166 0.690 4.448 361 HD11 LEU 42 HD11 LEU 42 -4.557 2.863 3.423 362 HD12 LEU 42 HD12 LEU 42 -3.530 1.548 2.811 363 HD13 LEU 42 HD13 LEU 42 -4.860 2.179 1.810 364 HD21 LEU 42 HD21 LEU 42 -6.888 2.439 4.093 365 HD22 LEU 42 HD22 LEU 42 -7.237 1.760 2.490 366 HD23 LEU 42 HD23 LEU 42 -7.582 0.810 3.954 367 H CYS 43 H CYS 43 -8.130 -2.467 4.624 368 HA CYS 43 HA CYS 43 -9.506 -3.746 2.484 369 HB2 CYS 43 HB1 CYS 43 -9.269 -4.606 4.823 370 HB3 CYS 43 HB2 CYS 43 -10.450 -3.378 5.341 371 HG CYS 43 HG CYS 43 -11.636 -5.701 5.084 372 H LEU 44 H LEU 44 -9.717 -1.775 1.209 373 HA LEU 44 HA LEU 44 -11.995 -0.065 1.492 374 HB2 LEU 44 HB1 LEU 44 -10.041 -0.894 -0.604 375 HB3 LEU 44 HB2 LEU 44 -11.610 -0.279 -1.177 376 HG LEU 44 HG LEU 44 -11.266 1.828 -0.104 377 HD11 LEU 44 HD11 LEU 44 -9.214 2.435 1.138 378 HD12 LEU 44 HD12 LEU 44 -10.114 1.143 1.960 379 HD13 LEU 44 HD13 LEU 44 -8.655 0.752 1.018 380 HD21 LEU 44 HD21 LEU 44 -9.242 2.578 -1.331 381 HD22 LEU 44 HD22 LEU 44 -8.712 0.886 -1.483 382 HD23 LEU 44 HD23 LEU 44 -10.194 1.430 -2.302 383 H GLY 45 H GLY 45 -13.787 -1.160 2.054 384 HA2 GLY 45 HA2 GLY 45 -14.695 -2.097 -0.224 385 H GLU 46 H GLU 46 -14.781 0.343 0.920 386 HA GLU 46 HA GLU 46 -17.278 1.278 -0.280 387 HB2 GLU 46 HB1 GLU 46 -18.139 2.222 1.738 388 HB3 GLU 46 HB2 GLU 46 -17.806 0.500 2.041 389 HG2 GLU 46 HG1 GLU 46 -16.093 2.826 2.958 390 HG3 GLU 46 HG2 GLU 46 -17.262 1.937 3.960 391 H MET 47 H MET 47 -14.111 1.934 1.185 392 HA MET 47 HA MET 47 -14.420 4.841 1.014 393 HB2 MET 47 HB1 MET 47 -13.482 3.561 2.935 394 HB3 MET 47 HB2 MET 47 -12.095 3.130 1.905 395 HG2 MET 47 HG1 MET 47 -11.396 5.424 1.767 396 HG3 MET 47 HG2 MET 47 -12.876 5.983 2.564 397 HE1 MET 47 HE1 MET 47 -9.829 3.293 4.771 398 HE2 MET 47 HE2 MET 47 -11.101 2.717 3.667 399 HE3 MET 47 HE3 MET 47 -9.723 3.648 3.030 400 H LYS 48 H LYS 48 -14.628 4.469 -1.472 401 HA LYS 48 HA LYS 48 -12.209 5.452 -2.666 402 HB2 LYS 48 HB1 LYS 48 -11.907 3.744 -4.269 403 HB3 LYS 48 HB2 LYS 48 -11.854 3.059 -2.629 404 HG2 LYS 48 HG1 LYS 48 -14.292 2.345 -2.993 405 HG3 LYS 48 HG2 LYS 48 -14.052 2.758 -4.708 406 HD2 LYS 48 HD1 LYS 48 -12.100 1.081 -3.115 407 HD3 LYS 48 HD2 LYS 48 -13.454 0.367 -4.020 408 HE2 LYS 48 HE1 LYS 48 -11.129 1.932 -5.179 409 HE3 LYS 48 HE2 LYS 48 -11.376 0.174 -5.268 410 HZ1 LYS 48 HZ1 LYS 48 -11.985 1.262 -7.301 411 HZ2 LYS 48 HZ2 LYS 48 -13.309 0.578 -6.601 412 HZ3 LYS 48 HZ3 LYS 48 -13.080 2.210 -6.517 413 H GLU 49 H GLU 49 -12.456 6.553 -4.730 414 HA GLU 49 HA GLU 49 -14.885 5.687 -6.236 415 HB2 GLU 49 HB1 GLU 49 -12.941 7.942 -6.784 416 HB3 GLU 49 HB2 GLU 49 -14.263 7.449 -7.868 417 HG2 GLU 49 HG1 GLU 49 -15.863 7.976 -5.979 418 HG3 GLU 49 HG2 GLU 49 -14.486 8.692 -5.113 419 H SER 50 H SER 50 -13.190 6.343 -8.780 420 HA SER 50 HA SER 50 -11.556 3.934 -9.014 421 HB2 SER 50 HB1 SER 50 -12.901 4.824 -10.886 422 HB3 SER 50 HB2 SER 50 -11.913 6.305 -10.882 423 HG SER 50 HG SER 50 -11.213 4.773 -12.448 424 H SER 51 H SER 51 -9.524 5.623 -10.627 425 HA SER 51 HA SER 51 -7.423 6.374 -10.385 426 HB2 SER 51 HB1 SER 51 -8.030 7.231 -7.541 427 HB3 SER 51 HB2 SER 51 -6.663 7.744 -8.560 428 HG SER 51 HG SER 51 -8.375 9.277 -8.528 429 H ILE 52 H ILE 52 -8.228 4.913 -7.106 430 HA ILE 52 HA ILE 52 -5.834 3.437 -6.914 431 HB ILE 52 HB ILE 52 -7.124 3.682 -5.040 432 HG12 ILE 52 HG13 ILE 52 -6.019 1.383 -5.425 433 HG13 ILE 52 HG12 ILE 52 -7.033 1.692 -3.993 434 HG21 ILE 52 HG21 ILE 52 -9.411 2.895 -4.626 435 HG22 ILE 52 HG22 ILE 52 -9.321 4.040 -5.976 436 HG23 ILE 52 HG23 ILE 52 -9.492 2.298 -6.294 437 HD11 ILE 52 HD11 ILE 52 -7.450 -0.573 -4.909 438 HD12 ILE 52 HD12 ILE 52 -8.887 0.457 -5.040 439 HD13 ILE 52 HD13 ILE 52 -7.873 0.150 -6.471 440 H ASP 53 H ASP 53 -8.690 2.724 -8.799 441 HA ASP 53 HA ASP 53 -8.010 -0.013 -9.423 442 HB2 ASP 53 HB1 ASP 53 -9.918 1.929 -10.778 443 HB3 ASP 53 HB2 ASP 53 -9.927 0.156 -10.917 444 H ASP 54 H ASP 54 -7.588 3.151 -11.101 445 HA ASP 54 HA ASP 54 -6.306 2.069 -13.443 446 HB2 ASP 54 HB1 ASP 54 -7.351 4.282 -13.480 447 HB3 ASP 54 HB2 ASP 54 -6.242 4.858 -12.217 448 H LEU 55 H LEU 55 -5.055 3.493 -10.380 449 HA LEU 55 HA LEU 55 -2.289 3.248 -10.945 450 HB2 LEU 55 HB1 LEU 55 -3.823 3.182 -8.322 451 HB3 LEU 55 HB2 LEU 55 -2.051 3.298 -8.449 452 HG LEU 55 HG LEU 55 -3.936 5.275 -9.759 453 HD11 LEU 55 HD11 LEU 55 -3.529 6.769 -7.833 454 HD12 LEU 55 HD12 LEU 55 -4.345 5.270 -7.331 455 HD13 LEU 55 HD13 LEU 55 -2.603 5.480 -7.030 456 HD21 LEU 55 HD21 LEU 55 -1.955 6.747 -9.809 457 HD22 LEU 55 HD22 LEU 55 -0.988 5.465 -9.044 458 HD23 LEU 55 HD23 LEU 55 -1.658 5.222 -10.676 459 H MET 56 H MET 56 -4.611 0.917 -9.426 460 HA MET 56 HA MET 56 -2.838 -1.246 -9.294 461 HB2 MET 56 HB1 MET 56 -5.799 -1.021 -9.620 462 HB3 MET 56 HB2 MET 56 -5.028 -2.604 -9.887 463 HG2 MET 56 HG1 MET 56 -4.652 -0.873 -7.431 464 HG3 MET 56 HG2 MET 56 -5.783 -2.233 -7.544 465 HE1 MET 56 HE1 MET 56 -3.482 -3.913 -5.194 466 HE2 MET 56 HE2 MET 56 -4.191 -2.275 -5.186 467 HE3 MET 56 HE3 MET 56 -5.155 -3.655 -5.766 468 H LYS 57 H LYS 57 -4.744 -0.262 -12.298 469 HA LYS 57 HA LYS 57 -3.458 -2.311 -13.854 470 HB2 LYS 57 HB1 LYS 57 -4.677 0.304 -14.783 471 HB3 LYS 57 HB2 LYS 57 -4.241 -1.073 -15.825 472 HG2 LYS 57 HG1 LYS 57 -6.489 -0.818 -13.836 473 HG3 LYS 57 HG2 LYS 57 -6.545 -1.305 -15.547 474 HD2 LYS 57 HD1 LYS 57 -5.312 -2.975 -13.324 475 HD3 LYS 57 HD2 LYS 57 -6.963 -3.187 -13.948 476 HE2 LYS 57 HE1 LYS 57 -6.044 -3.604 -16.215 477 HE3 LYS 57 HE2 LYS 57 -4.396 -3.417 -15.573 478 HZ1 LYS 57 HZ1 LYS 57 -5.017 -5.714 -15.775 479 HZ2 LYS 57 HZ2 LYS 57 -4.787 -5.324 -14.190 480 HZ3 LYS 57 HZ3 LYS 57 -6.316 -5.498 -14.784 481 H SER 58 H SER 58 -2.346 0.723 -12.736 482 HA SER 58 HA SER 58 -0.314 1.044 -14.771 483 HB2 SER 58 HB1 SER 58 -1.567 2.921 -13.507 484 HB3 SER 58 HB2 SER 58 -0.342 2.654 -12.243 485 HG SER 58 HG SER 58 0.331 4.191 -13.821 486 H LEU 59 H LEU 59 -0.351 -0.250 -11.435 487 HA LEU 59 HA LEU 59 2.487 -0.966 -11.707 488 HB2 LEU 59 HB1 LEU 59 0.388 -1.613 -9.630 489 HB3 LEU 59 HB2 LEU 59 2.094 -2.113 -9.540 490 HG LEU 59 HG LEU 59 0.951 0.682 -9.313 491 HD11 LEU 59 HD11 LEU 59 2.036 0.534 -7.087 492 HD12 LEU 59 HD12 LEU 59 0.872 -0.792 -7.322 493 HD13 LEU 59 HD13 LEU 59 2.618 -1.103 -7.476 494 HD21 LEU 59 HD21 LEU 59 3.268 1.502 -9.063 495 HD22 LEU 59 HD22 LEU 59 3.883 -0.117 -9.458 496 HD23 LEU 59 HD23 LEU 59 2.995 0.822 -10.681 497 H ASP 60 H ASP 60 -0.696 -2.666 -11.977 498 HA ASP 60 HA ASP 60 0.340 -5.289 -12.345 499 HB2 ASP 60 HB1 ASP 60 -2.003 -4.663 -11.815 500 HB3 ASP 60 HB2 ASP 60 -2.191 -4.079 -13.483 501 H LYS 61 H LYS 61 0.303 -2.603 -14.496 502 HA LYS 61 HA LYS 61 0.941 -3.121 -16.979 503 HB2 LYS 61 HB1 LYS 61 1.290 -1.113 -15.535 504 HB3 LYS 61 HB2 LYS 61 2.785 -1.856 -14.917 505 HG2 LYS 61 HG1 LYS 61 3.730 -0.467 -16.400 506 HG3 LYS 61 HG2 LYS 61 3.385 -1.802 -17.525 507 HD2 LYS 61 HD1 LYS 61 2.816 0.408 -18.447 508 HD3 LYS 61 HD2 LYS 61 1.416 -0.686 -18.338 509 HE2 LYS 61 HE1 LYS 61 0.975 1.729 -17.748 510 HE3 LYS 61 HE2 LYS 61 0.476 0.532 -16.532 511 HZ1 LYS 61 HZ1 LYS 61 1.548 2.421 -15.531 512 HZ2 LYS 61 HZ2 LYS 61 2.449 1.063 -15.291 513 HZ3 LYS 61 HZ3 LYS 61 2.913 2.174 -16.419 514 H ASN 62 H ASN 62 3.142 -4.405 -14.380 515 HA ASN 62 HA ASN 62 4.297 -6.141 -16.502 516 HB2 ASN 62 HB1 ASN 62 5.633 -4.416 -14.518 517 HB3 ASN 62 HB2 ASN 62 6.285 -6.067 -14.622 518 HD21 ASN 62 HD21 ASN 62 4.892 -4.238 -17.375 519 HD22 ASN 62 HD22 ASN 62 6.398 -4.133 -18.276 520 H SER 63 H SER 63 2.390 -6.169 -13.854 521 HA SER 63 HA SER 63 1.312 -7.627 -12.656 522 HB2 SER 63 HB1 SER 63 1.121 -8.344 -15.206 523 HB3 SER 63 HB2 SER 63 1.775 -9.867 -14.557 524 HG SER 63 HG SER 63 -0.524 -9.795 -14.511 525 H ASP 64 H ASP 64 4.584 -8.655 -12.902 526 HA ASP 64 HA ASP 64 4.203 -10.763 -10.849 527 HB2 ASP 64 HB1 ASP 64 5.597 -10.980 -13.548 528 HB3 ASP 64 HB2 ASP 64 5.906 -12.113 -12.214 529 H GLN 65 H GLN 65 5.834 -8.011 -11.959 530 HA GLN 65 HA GLN 65 8.519 -8.355 -11.338 531 HB2 GLN 65 HB1 GLN 65 8.527 -5.875 -10.978 532 HB3 GLN 65 HB2 GLN 65 7.737 -6.393 -12.488 533 HG2 GLN 65 HG1 GLN 65 5.543 -6.036 -11.507 534 HG3 GLN 65 HG2 GLN 65 6.274 -5.640 -9.937 535 HE21 GLN 65 HE12 GLN 65 8.140 -3.726 -10.400 536 HE22 GLN 65 HE22 GLN 65 7.428 -2.352 -11.212 537 H GLU 66 H GLU 66 9.850 -7.784 -9.573 538 HA GLU 66 HA GLU 66 8.573 -8.012 -6.969 539 HB2 GLU 66 HB1 GLU 66 11.502 -7.528 -7.181 540 HB3 GLU 66 HB2 GLU 66 10.576 -8.516 -6.027 541 HG2 GLU 66 HG1 GLU 66 11.680 -10.152 -7.200 542 HG3 GLU 66 HG2 GLU 66 10.173 -10.050 -8.135 543 H ILE 67 H ILE 67 8.671 -6.543 -5.295 544 HA ILE 67 HA ILE 67 9.415 -3.743 -5.963 545 HB ILE 67 HB ILE 67 6.703 -4.852 -5.218 546 HG12 ILE 67 HG13 ILE 67 7.542 -2.744 -7.245 547 HG13 ILE 67 HG12 ILE 67 7.395 -4.479 -7.610 548 HG21 ILE 67 HG21 ILE 67 5.915 -2.570 -4.700 549 HG22 ILE 67 HG22 ILE 67 7.167 -3.102 -3.555 550 HG23 ILE 67 HG23 ILE 67 7.578 -1.963 -4.859 551 HD11 ILE 67 HD11 ILE 67 5.400 -3.235 -8.381 552 HD12 ILE 67 HD12 ILE 67 4.990 -4.386 -7.094 553 HD13 ILE 67 HD13 ILE 67 5.135 -2.651 -6.726 554 H ASP 68 H ASP 68 10.249 -2.583 -4.279 555 HA ASP 68 HA ASP 68 10.187 -3.771 -1.570 556 HB2 ASP 68 HB1 ASP 68 12.201 -2.908 -1.182 557 HB3 ASP 68 HB2 ASP 68 12.288 -2.734 -2.948 558 H PHE 69 H PHE 69 10.288 -1.842 0.169 559 HA PHE 69 HA PHE 69 7.651 -1.125 0.590 560 HB2 PHE 69 HB1 PHE 69 10.177 0.207 1.626 561 HB3 PHE 69 HB2 PHE 69 8.571 0.336 2.362 562 HD1 PHE 69 HD2 PHE 69 7.463 -1.877 3.166 563 HD2 PHE 69 HD1 PHE 69 11.662 -1.455 2.297 564 HE1 PHE 69 HE2 PHE 69 7.974 -3.762 4.701 565 HE2 PHE 69 HE1 PHE 69 12.167 -3.336 3.838 566 HZ PHE 69 HZ PHE 69 10.326 -4.468 5.060 567 H LYS 70 H LYS 70 9.722 0.628 -1.640 568 HA LYS 70 HA LYS 70 8.691 3.254 -0.961 569 HB2 LYS 70 HB1 LYS 70 10.448 2.154 -3.163 570 HB3 LYS 70 HB2 LYS 70 9.950 3.862 -3.101 571 HG2 LYS 70 HG1 LYS 70 10.892 3.997 -0.774 572 HG3 LYS 70 HG2 LYS 70 11.486 2.330 -0.957 573 HD2 LYS 70 HD1 LYS 70 12.265 4.610 -2.799 574 HD3 LYS 70 HD2 LYS 70 13.198 4.141 -1.360 575 HE2 LYS 70 HE1 LYS 70 12.594 2.313 -3.713 576 HE3 LYS 70 HE2 LYS 70 14.113 3.204 -3.482 577 HZ1 LYS 70 HZ1 LYS 70 14.282 0.948 -2.722 578 HZ2 LYS 70 HZ2 LYS 70 14.444 1.987 -1.453 579 HZ3 LYS 70 HZ3 LYS 70 13.033 1.160 -1.669 580 H GLU 71 H GLU 71 8.233 1.103 -3.902 581 HA GLU 71 HA GLU 71 6.147 2.699 -4.967 582 HB2 GLU 71 HB1 GLU 71 6.258 -0.316 -5.170 583 HB3 GLU 71 HB2 GLU 71 5.364 0.808 -6.222 584 HG2 GLU 71 HG1 GLU 71 7.896 1.715 -6.584 585 HG3 GLU 71 HG2 GLU 71 8.210 -0.007 -6.274 586 H TYR 72 H TYR 72 6.162 0.279 -2.383 587 HA TYR 72 HA TYR 72 3.325 0.038 -2.045 588 HB2 TYR 72 HB1 TYR 72 4.860 -1.597 -1.191 589 HB3 TYR 72 HB2 TYR 72 5.688 -0.379 -0.204 590 HD1 TYR 72 HD2 TYR 72 2.089 -1.495 -0.570 591 HD2 TYR 72 HD1 TYR 72 5.398 -0.674 2.062 592 HE1 TYR 72 HE2 TYR 72 0.826 -2.493 1.323 593 HE2 TYR 72 HE1 TYR 72 4.110 -1.606 3.979 594 HH TYR 72 HH TYR 72 0.891 -3.156 3.502 595 H SER 73 H SER 73 5.739 2.119 -0.319 596 HA SER 73 HA SER 73 3.763 3.346 1.323 597 HB2 SER 73 HB1 SER 73 5.524 4.843 2.040 598 HB3 SER 73 HB2 SER 73 6.108 3.163 1.978 599 HG SER 73 HG SER 73 7.610 4.659 1.114 600 H VAL 74 H VAL 74 5.167 4.382 -1.846 601 HA VAL 74 HA VAL 74 3.770 6.891 -1.764 602 HB VAL 74 HB VAL 74 4.208 7.196 -4.083 603 HG11 VAL 74 HG11 VAL 74 6.663 7.164 -4.040 604 HG12 VAL 74 HG12 VAL 74 5.976 7.682 -2.485 605 HG13 VAL 74 HG13 VAL 74 6.617 6.032 -2.672 606 HG21 VAL 74 HG21 VAL 74 5.397 5.599 -5.521 607 HG22 VAL 74 HG22 VAL 74 5.308 4.386 -4.229 608 HG23 VAL 74 HG23 VAL 74 3.818 4.983 -4.998 609 H PHE 75 H PHE 75 2.839 3.650 -2.987 610 HA PHE 75 HA PHE 75 0.423 4.534 -4.286 611 HB2 PHE 75 HB1 PHE 75 1.783 2.370 -4.519 612 HB3 PHE 75 HB2 PHE 75 0.973 1.838 -3.036 613 HD1 PHE 75 HD1 PHE 75 -1.483 1.320 -3.063 614 HD2 PHE 75 HD2 PHE 75 0.676 2.454 -6.607 615 HE1 PHE 75 HE1 PHE 75 -3.179 0.161 -4.470 616 HE2 PHE 75 HE2 PHE 75 -1.005 1.293 -8.006 617 HZ PHE 75 HZ PHE 75 -2.947 0.168 -6.949 618 H LEU 76 H LEU 76 1.116 3.270 -0.971 619 HA LEU 76 HA LEU 76 -1.510 3.526 0.076 620 HB2 LEU 76 HB1 LEU 76 1.233 3.731 1.356 621 HB3 LEU 76 HB2 LEU 76 -0.291 3.665 2.273 622 HG LEU 76 HG LEU 76 0.658 1.477 0.396 623 HD11 LEU 76 HD11 LEU 76 1.344 0.284 2.461 624 HD12 LEU 76 HD12 LEU 76 2.239 1.810 2.274 625 HD13 LEU 76 HD13 LEU 76 0.892 1.705 3.433 626 HD21 LEU 76 HD21 LEU 76 -0.985 0.074 1.586 627 HD22 LEU 76 HD22 LEU 76 -1.472 1.478 2.562 628 HD23 LEU 76 HD23 LEU 76 -1.767 1.468 0.806 629 H THR 77 H THR 77 1.223 5.866 0.011 630 HA THR 77 HA THR 77 -0.021 8.017 1.375 631 HB THR 77 HB THR 77 2.162 7.874 -0.718 632 HG1 THR 77 HG1 THR 77 3.362 8.228 1.197 633 HG21 THR 77 HG21 THR 77 2.808 10.168 -0.086 634 HG22 THR 77 HG22 THR 77 1.200 10.132 -0.841 635 HG23 THR 77 HG23 THR 77 1.353 10.297 0.925 636 H MET 78 H MET 78 0.211 7.317 -2.101 637 HA MET 78 HA MET 78 -1.301 9.483 -3.100 638 HB2 MET 78 HB1 MET 78 0.248 8.093 -4.381 639 HB3 MET 78 HB2 MET 78 -0.805 6.677 -4.144 640 HG2 MET 78 HG1 MET 78 -2.431 7.482 -5.597 641 HG3 MET 78 HG2 MET 78 -1.839 9.149 -5.496 642 HE1 MET 78 HE1 MET 78 0.908 6.019 -7.601 643 HE2 MET 78 HE2 MET 78 0.916 6.412 -5.870 644 HE3 MET 78 HE3 MET 78 -0.446 5.507 -6.574 645 H LEU 79 H LEU 79 -2.361 6.189 -2.029 646 HA LEU 79 HA LEU 79 -5.103 6.609 -2.633 647 HB2 LEU 79 HB1 LEU 79 -3.506 4.629 -1.236 648 HB3 LEU 79 HB2 LEU 79 -5.021 4.956 -0.359 649 HG LEU 79 HG LEU 79 -5.432 3.139 -1.826 650 HD11 LEU 79 HD11 LEU 79 -7.213 3.993 -3.305 651 HD12 LEU 79 HD12 LEU 79 -7.251 4.777 -1.711 652 HD13 LEU 79 HD13 LEU 79 -6.578 5.641 -3.113 653 HD21 LEU 79 HD21 LEU 79 -4.987 3.191 -4.250 654 HD22 LEU 79 HD22 LEU 79 -4.280 4.815 -4.085 655 HD23 LEU 79 HD23 LEU 79 -3.497 3.420 -3.305 656 H CYS 80 H CYS 80 -3.338 7.142 0.476 657 HA CYS 80 HA CYS 80 -5.515 8.050 2.009 658 HB2 CYS 80 HB1 CYS 80 -3.205 7.435 2.774 659 HB3 CYS 80 HB2 CYS 80 -2.613 8.973 2.100 660 HG CYS 80 HG CYS 80 -2.817 9.164 4.703 661 H MET 81 H MET 81 -3.279 9.955 -0.042 662 HA MET 81 HA MET 81 -4.519 12.498 0.274 663 HB2 MET 81 HB1 MET 81 -2.188 11.963 -0.448 664 HB3 MET 81 HB2 MET 81 -2.841 11.354 -1.988 665 HG2 MET 81 HG1 MET 81 -3.930 13.882 -1.843 666 HG3 MET 81 HG2 MET 81 -2.339 14.115 -1.098 667 HE1 MET 81 HE1 MET 81 -3.230 12.640 -5.363 668 HE2 MET 81 HE2 MET 81 -3.673 11.718 -3.903 669 HE3 MET 81 HE3 MET 81 -4.415 13.306 -4.210 670 H ALA 82 H ALA 82 -5.264 9.779 -1.899 671 HA ALA 82 HA ALA 82 -6.929 11.404 -3.630 672 HB1 ALA 82 HB1 ALA 82 -7.283 9.287 -4.848 673 HB2 ALA 82 HB2 ALA 82 -5.560 9.575 -4.518 674 HB3 ALA 82 HB3 ALA 82 -6.470 8.401 -3.538 675 H TYR 83 H TYR 83 -7.666 10.234 -0.547 676 HA TYR 83 HA TYR 83 -10.453 10.707 -1.230 677 HB2 TYR 83 HB1 TYR 83 -11.345 8.756 -0.039 678 HB3 TYR 83 HB2 TYR 83 -10.485 8.403 -1.546 679 HD1 TYR 83 HD2 TYR 83 -9.314 8.716 2.038 680 HD2 TYR 83 HD1 TYR 83 -9.762 6.203 -1.433 681 HE1 TYR 83 HE2 TYR 83 -8.071 6.906 3.192 682 HE2 TYR 83 HE1 TYR 83 -8.612 4.357 -0.241 683 HH TYR 83 HH TYR 83 -7.252 4.777 3.057 684 H ASN 84 H ASN 84 -7.988 11.177 1.130 685 HA ASN 84 HA ASN 84 -9.947 11.894 3.185 686 HB2 ASN 84 HB1 ASN 84 -6.939 11.984 3.127 687 HB3 ASN 84 HB2 ASN 84 -7.887 12.726 4.435 688 HD21 ASN 84 HD21 ASN 84 -6.772 9.751 2.999 689 HD22 ASN 84 HD22 ASN 84 -7.376 8.679 4.249 690 H ASP 85 H ASP 85 -10.914 13.371 1.420 691 HA ASP 85 HA ASP 85 -9.935 16.049 1.237 692 HB2 ASP 85 HB1 ASP 85 -11.985 14.616 0.144 693 HB3 ASP 85 HB2 ASP 85 -12.867 15.635 1.302 694 H PHE 86 H PHE 86 -11.074 14.321 3.957 695 HA PHE 86 HA PHE 86 -12.146 16.319 5.622 696 HB2 PHE 86 HB1 PHE 86 -10.368 14.007 6.462 697 HB3 PHE 86 HB2 PHE 86 -11.638 14.795 7.413 698 HD1 PHE 86 HD2 PHE 86 -14.068 14.722 6.191 699 HD2 PHE 86 HD1 PHE 86 -10.846 11.928 5.581 700 HE1 PHE 86 HE2 PHE 86 -15.690 13.029 5.370 701 HE2 PHE 86 HE1 PHE 86 -12.467 10.243 4.745 702 HZ PHE 86 HZ PHE 86 -14.888 10.793 4.630 703 H PHE 87 H PHE 87 -8.959 16.281 4.373 704 HA PHE 87 HA PHE 87 -7.997 18.005 6.596 705 HB2 PHE 87 HB1 PHE 87 -6.342 16.376 4.646 706 HB3 PHE 87 HB2 PHE 87 -5.731 17.343 5.999 707 HD1 PHE 87 HD1 PHE 87 -7.243 16.655 8.315 708 HD2 PHE 87 HD2 PHE 87 -6.089 14.112 5.038 709 HE1 PHE 87 HE1 PHE 87 -7.539 14.661 9.760 710 HE2 PHE 87 HE2 PHE 87 -6.405 12.115 6.480 711 HZ PHE 87 HZ PHE 87 -7.155 12.384 8.838 712 H LEU 88 H LEU 88 -9.507 18.561 3.905 713 HA LEU 88 HA LEU 88 -7.731 20.691 2.810 714 HB2 LEU 88 HB1 LEU 88 -9.911 18.899 1.709 715 HB3 LEU 88 HB2 LEU 88 -9.454 20.404 0.878 716 HG LEU 88 HG LEU 88 -8.428 18.480 -0.133 717 HD11 LEU 88 HD11 LEU 88 -6.085 19.266 -0.207 718 HD12 LEU 88 HD12 LEU 88 -7.236 20.617 -0.216 719 HD13 LEU 88 HD13 LEU 88 -6.362 20.199 1.278 720 HD21 LEU 88 HD21 LEU 88 -6.652 17.124 0.901 721 HD22 LEU 88 HD22 LEU 88 -6.936 17.954 2.442 722 HD23 LEU 88 HD23 LEU 88 -8.208 16.932 1.730 723 H GLU 89 H GLU 89 -9.456 22.394 1.661 724 HA GLU 89 HA GLU 89 -11.263 23.397 3.805 725 HB2 GLU 89 HB1 GLU 89 -9.577 24.603 1.669 726 HB3 GLU 89 HB2 GLU 89 -11.177 25.353 1.875 727 HG2 GLU 89 HG1 GLU 89 -9.529 26.542 3.191 728 HG3 GLU 89 HG2 GLU 89 -10.684 25.720 4.262 729 H ASP 90 H ASP 90 -11.232 22.063 0.582 730 HA ASP 90 HA ASP 90 -14.037 22.707 0.020 731 HB2 ASP 90 HB1 ASP 90 -13.479 23.886 -2.046 732 HB3 ASP 90 HB2 ASP 90 -12.797 24.721 -0.633 733 H ASN 91 H ASN 91 -14.912 21.533 -1.777 734 HA ASN 91 HA ASN 91 -13.579 18.957 -2.147 735 HB2 ASN 91 HB1 ASN 91 -15.965 19.083 -1.603 736 HB3 ASN 91 HB2 ASN 91 -16.269 19.966 -3.116 737 HD21 ASN 91 HD21 ASN 91 -14.282 17.030 -2.392 738 HD22 ASN 91 HD22 ASN 91 -15.102 16.001 -3.553 739 H LYS 92 H LYS 92 -11.856 19.227 -3.362 740 HA LYS 92 HA LYS 92 -12.206 19.618 -6.235 741 HB2 LYS 92 HB1 LYS 92 -10.738 21.315 -6.584 742 HB3 LYS 92 HB2 LYS 92 -11.539 21.809 -5.073 743 HG2 LYS 92 HG1 LYS 92 -8.813 20.506 -5.213 744 HG3 LYS 92 HG2 LYS 92 -9.088 22.265 -5.185 745 HD2 LYS 92 HD1 LYS 92 -8.836 22.109 -2.988 746 HD3 LYS 92 HD2 LYS 92 -10.476 21.416 -2.976 747 HE2 LYS 92 HE1 LYS 92 -8.258 19.494 -3.411 748 HE3 LYS 92 HE2 LYS 92 -8.325 20.257 -1.808 749 HZ1 LYS 92 HZ1 LYS 92 -9.569 18.227 -1.877 750 HZ2 LYS 92 HZ2 LYS 92 -10.578 19.503 -1.613 751 HZ3 LYS 92 HZ3 LYS 92 -10.515 18.794 -3.101 752 HA MET 1 HA MET 1 -14.213 -0.125 7.052 753 HB2 MET 1 HB1 MET 1 -11.716 -1.856 6.865 754 HB3 MET 1 HB2 MET 1 -12.897 -1.857 8.195 755 HG2 MET 1 HG1 MET 1 -14.640 -2.627 6.578 756 HG3 MET 1 HG2 MET 1 -13.387 -2.735 5.330 757 HE1 MET 1 HE1 MET 1 -14.653 -6.357 6.987 758 HE2 MET 1 HE2 MET 1 -15.514 -4.826 7.277 759 HE3 MET 1 HE3 MET 1 -14.991 -5.256 5.631 760 H GLU 2 H GLU 2 -13.223 0.484 9.351 761 HA GLU 2 HA GLU 2 -10.584 1.679 9.257 762 HB2 GLU 2 HB1 GLU 2 -12.232 0.464 11.477 763 HB3 GLU 2 HB2 GLU 2 -10.533 0.931 11.732 764 HG2 GLU 2 HG1 GLU 2 -11.262 3.244 10.785 765 HG3 GLU 2 HG2 GLU 2 -12.915 2.689 11.123 766 H THR 3 H THR 3 -8.619 0.740 9.539 767 HA THR 3 HA THR 3 -8.294 -2.167 9.830 768 HB THR 3 HB THR 3 -7.704 -2.615 7.789 769 HG1 THR 3 HG1 THR 3 -5.965 -1.558 6.745 770 HG21 THR 3 HG21 THR 3 -8.082 -1.108 5.866 771 HG22 THR 3 HG22 THR 3 -9.418 -1.045 7.028 772 HG23 THR 3 HG23 THR 3 -8.209 0.262 6.984 773 HA PRO 4 HA PRO 4 -5.083 -0.767 12.376 774 HB2 PRO 4 HB1 PRO 4 -3.451 -2.920 12.717 775 HB3 PRO 4 HB2 PRO 4 -5.176 -2.949 13.202 776 HG2 PRO 4 HG1 PRO 4 -3.976 -3.969 10.612 777 HG3 PRO 4 HG2 PRO 4 -5.057 -4.858 11.734 778 HD2 PRO 4 HD1 PRO 4 -6.010 -3.546 9.524 779 HD3 PRO 4 HD2 PRO 4 -6.933 -3.571 11.057 780 H LEU 5 H LEU 5 -3.965 -1.737 9.130 781 HA LEU 5 HA LEU 5 -1.466 -0.226 9.591 782 HB2 LEU 5 HB1 LEU 5 -1.350 -2.413 8.455 783 HB3 LEU 5 HB2 LEU 5 -2.311 -1.734 7.119 784 HG LEU 5 HG LEU 5 0.326 -0.550 8.021 785 HD11 LEU 5 HD11 LEU 5 1.392 -1.874 6.224 786 HD12 LEU 5 HD12 LEU 5 0.617 -2.923 7.433 787 HD13 LEU 5 HD13 LEU 5 -0.173 -2.638 5.863 788 HD21 LEU 5 HD21 LEU 5 0.529 0.396 5.748 789 HD22 LEU 5 HD22 LEU 5 -1.045 -0.305 5.329 790 HD23 LEU 5 HD23 LEU 5 -0.934 0.966 6.570 791 H GLU 6 H GLU 6 -4.521 0.097 7.605 792 HA GLU 6 HA GLU 6 -4.177 2.743 6.830 793 HB2 GLU 6 HB1 GLU 6 -6.260 1.740 6.438 794 HB3 GLU 6 HB2 GLU 6 -6.472 1.299 8.148 795 HG2 GLU 6 HG1 GLU 6 -6.315 4.210 7.533 796 HG3 GLU 6 HG2 GLU 6 -7.765 3.350 6.969 797 H LYS 7 H LYS 7 -4.363 1.488 10.187 798 HA LYS 7 HA LYS 7 -4.579 3.972 11.510 799 HB2 LYS 7 HB1 LYS 7 -4.424 1.309 12.195 800 HB3 LYS 7 HB2 LYS 7 -2.904 1.965 12.848 801 HG2 LYS 7 HG1 LYS 7 -4.709 1.917 14.510 802 HG3 LYS 7 HG2 LYS 7 -4.114 3.562 14.190 803 HD2 LYS 7 HD1 LYS 7 -6.641 3.220 14.470 804 HD3 LYS 7 HD2 LYS 7 -6.072 4.198 13.097 805 HE2 LYS 7 HE1 LYS 7 -6.285 2.057 11.704 806 HE3 LYS 7 HE2 LYS 7 -7.201 1.398 13.077 807 HZ1 LYS 7 HZ1 LYS 7 -8.632 2.366 11.438 808 HZ2 LYS 7 HZ2 LYS 7 -8.727 3.213 12.849 809 HZ3 LYS 7 HZ3 LYS 7 -7.877 3.825 11.575 810 H ALA 8 H ALA 8 -1.719 2.473 10.025 811 HA ALA 8 HA ALA 8 0.223 4.296 11.097 812 HB1 ALA 8 HB1 ALA 8 1.671 3.333 9.337 813 HB2 ALA 8 HB2 ALA 8 0.788 2.062 10.220 814 HB3 ALA 8 HB3 ALA 8 0.252 2.556 8.595 815 H LEU 9 H LEU 9 -1.598 4.259 7.951 816 HA LEU 9 HA LEU 9 -0.600 6.737 6.976 817 HB2 LEU 9 HB1 LEU 9 -3.141 5.181 6.493 818 HB3 LEU 9 HB2 LEU 9 -2.862 6.766 5.730 819 HG LEU 9 HG LEU 9 -2.387 4.993 4.184 820 HD11 LEU 9 HD11 LEU 9 -0.093 5.598 3.498 821 HD12 LEU 9 HD12 LEU 9 -1.021 7.021 4.020 822 HD13 LEU 9 HD13 LEU 9 0.195 6.303 5.103 823 HD21 LEU 9 HD21 LEU 9 -0.579 3.345 4.494 824 HD22 LEU 9 HD22 LEU 9 -0.303 3.967 6.133 825 HD23 LEU 9 HD23 LEU 9 -1.845 3.175 5.728 826 H THR 10 H THR 10 -3.543 6.026 8.909 827 HA THR 10 HA THR 10 -4.451 8.612 9.469 828 HB THR 10 HB THR 10 -4.518 6.053 11.104 829 HG1 THR 10 HG1 THR 10 -6.607 6.088 10.132 830 HG21 THR 10 HG21 THR 10 -6.461 7.055 12.277 831 HG22 THR 10 HG22 THR 10 -4.978 7.983 12.592 832 HG23 THR 10 HG23 THR 10 -6.178 8.589 11.426 833 H THR 11 H THR 11 -1.919 6.741 11.246 834 HA THR 11 HA THR 11 -1.288 8.774 13.144 835 HB THR 11 HB THR 11 0.400 6.528 11.994 836 HG1 THR 11 HG1 THR 11 -0.246 5.571 13.986 837 HG21 THR 11 HG21 THR 11 1.781 6.713 14.048 838 HG22 THR 11 HG22 THR 11 1.865 8.200 13.081 839 HG23 THR 11 HG23 THR 11 0.845 8.141 14.538 840 H MET 12 H MET 12 0.061 8.101 9.877 841 HA MET 12 HA MET 12 2.096 10.085 9.968 842 HB2 MET 12 HB1 MET 12 0.649 8.730 7.682 843 HB3 MET 12 HB2 MET 12 1.943 9.925 7.424 844 HG2 MET 12 HG1 MET 12 3.565 8.528 8.492 845 HG3 MET 12 HG2 MET 12 2.320 7.431 9.109 846 HE1 MET 12 HE1 MET 12 4.686 5.753 6.144 847 HE2 MET 12 HE2 MET 12 5.142 7.228 7.026 848 HE3 MET 12 HE3 MET 12 4.487 5.828 7.909 849 H VAL 13 H VAL 13 -1.344 10.303 8.796 850 HA VAL 13 HA VAL 13 -1.034 13.081 8.091 851 HB VAL 13 HB VAL 13 -3.475 13.241 7.957 852 HG11 VAL 13 HG11 VAL 13 -3.769 11.707 6.034 853 HG12 VAL 13 HG12 VAL 13 -2.171 12.483 6.013 854 HG13 VAL 13 HG13 VAL 13 -2.337 10.795 6.553 855 HG21 VAL 13 HG21 VAL 13 -4.923 11.252 8.164 856 HG22 VAL 13 HG22 VAL 13 -3.534 10.314 8.749 857 HG23 VAL 13 HG23 VAL 13 -4.160 11.674 9.710 858 H THR 14 H THR 14 -2.164 11.435 11.050 859 HA THR 14 HA THR 14 -3.061 13.705 12.497 860 HB THR 14 HB THR 14 -1.887 11.080 13.477 861 HG1 THR 14 HG1 THR 14 -4.141 10.622 13.675 862 HG21 THR 14 HG21 THR 14 -3.157 11.497 15.572 863 HG22 THR 14 HG22 THR 14 -1.927 12.750 15.309 864 HG23 THR 14 HG23 THR 14 -3.638 13.090 14.954 865 H THR 15 H THR 15 0.207 12.351 12.087 866 HA THR 15 HA THR 15 1.398 14.307 13.884 867 HB THR 15 HB THR 15 3.572 13.318 13.037 868 HG1 THR 15 HG1 THR 15 3.276 11.289 11.990 869 HG21 THR 15 HG21 THR 15 3.236 11.211 14.322 870 HG22 THR 15 HG22 THR 15 2.462 12.585 15.142 871 HG23 THR 15 HG23 THR 15 1.474 11.431 14.216 872 H PHE 16 H PHE 16 1.491 13.806 10.295 873 HA PHE 16 HA PHE 16 2.991 16.065 9.601 874 HB2 PHE 16 HB1 PHE 16 2.299 14.178 8.144 875 HB3 PHE 16 HB2 PHE 16 0.644 14.810 8.139 876 HD1 PHE 16 HD1 PHE 16 0.116 16.931 6.888 877 HD2 PHE 16 HD2 PHE 16 3.989 15.064 6.700 878 HE1 PHE 16 HE1 PHE 16 0.639 18.203 4.823 879 HE2 PHE 16 HE2 PHE 16 4.416 16.167 4.520 880 HZ PHE 16 HZ PHE 16 2.757 17.774 3.591 881 H HIS 17 H HIS 17 -0.522 15.930 10.332 882 HA HIS 17 HA HIS 17 -1.183 18.521 9.399 883 HB2 HIS 17 HB1 HIS 17 -2.800 16.732 9.896 884 HB3 HIS 17 HB2 HIS 17 -2.428 16.870 11.624 885 HD1 HIS 17 HD1 HIS 17 -3.683 18.807 12.927 886 HD2 HIS 17 HD2 HIS 17 -4.024 18.964 8.744 887 HE1 HIS 17 HE1 HIS 17 -5.323 20.690 12.401 888 HE2 HIS 17 HE2 HIS 17 -5.557 20.802 9.852 889 H LYS 18 H LYS 18 0.314 17.543 12.502 890 HA LYS 18 HA LYS 18 -0.153 19.942 13.949 891 HB2 LYS 18 HB1 LYS 18 2.280 18.121 14.029 892 HB3 LYS 18 HB2 LYS 18 1.763 19.250 15.305 893 HG2 LYS 18 HG1 LYS 18 -0.132 17.873 15.852 894 HG3 LYS 18 HG2 LYS 18 0.146 16.829 14.437 895 HD2 LYS 18 HD1 LYS 18 2.407 16.259 15.348 896 HD3 LYS 18 HD2 LYS 18 2.041 17.231 16.794 897 HE2 LYS 18 HE1 LYS 18 0.178 15.729 17.353 898 HE3 LYS 18 HE2 LYS 18 0.484 14.778 15.884 899 HZ1 LYS 18 HZ1 LYS 18 1.501 13.790 17.810 900 HZ2 LYS 18 HZ2 LYS 18 2.664 14.271 16.743 901 HZ3 LYS 18 HZ3 LYS 18 2.381 15.154 18.107 902 H TYR 19 H TYR 19 2.008 19.308 11.304 903 HA TYR 19 HA TYR 19 3.840 21.562 11.958 904 HB2 TYR 19 HB1 TYR 19 4.146 18.953 10.428 905 HB3 TYR 19 HB2 TYR 19 5.363 20.240 10.387 906 HD1 TYR 19 HD1 TYR 19 6.584 20.878 12.497 907 HD2 TYR 19 HD2 TYR 19 3.944 17.488 12.316 908 HE1 TYR 19 HE1 TYR 19 7.510 20.054 14.650 909 HE2 TYR 19 HE2 TYR 19 4.741 16.742 14.545 910 HH TYR 19 HH TYR 19 6.147 17.158 16.289 911 H SER 20 H SER 20 2.305 19.912 9.113 912 HA SER 20 HA SER 20 2.585 22.062 7.284 913 HB2 SER 20 HB1 SER 20 0.645 20.987 6.131 914 HB3 SER 20 HB2 SER 20 1.957 19.861 6.547 915 HG SER 20 HG SER 20 -0.128 19.017 7.038 916 H GLY 21 H GLY 21 -0.072 21.361 9.617 917 HA2 GLY 21 HA2 GLY 21 -0.817 23.789 8.904 918 H ARG 22 H ARG 22 1.270 23.817 10.480 919 HA ARG 22 HA ARG 22 0.415 26.469 11.485 920 HB2 ARG 22 HB1 ARG 22 2.320 26.449 13.028 921 HB3 ARG 22 HB2 ARG 22 1.070 25.224 13.357 922 HG2 ARG 22 HG1 ARG 22 3.042 24.184 13.875 923 HG3 ARG 22 HG2 ARG 22 2.621 23.563 12.261 924 HD2 ARG 22 HD1 ARG 22 5.096 24.376 13.092 925 HD3 ARG 22 HD2 ARG 22 4.567 24.165 11.409 926 HE ARG 22 HE ARG 22 3.949 26.796 12.335 927 HH11 ARG 22 HH12 ARG 22 6.948 25.029 11.875 928 HH12 ARG 22 HH11 ARG 22 7.720 26.351 11.037 929 HH21 ARG 22 HH22 ARG 22 4.864 28.345 10.986 930 HH22 ARG 22 HH21 ARG 22 6.550 28.206 10.539 931 H GLU 23 H GLU 23 2.147 25.027 8.968 932 HA GLU 23 HA GLU 23 3.423 27.635 8.342 933 HB2 GLU 23 HB1 GLU 23 3.524 24.923 6.979 934 HB3 GLU 23 HB2 GLU 23 4.295 26.399 6.346 935 HG2 GLU 23 HG1 GLU 23 5.576 26.539 8.538 936 HG3 GLU 23 HG2 GLU 23 4.949 24.921 8.922 937 H GLY 24 H GLY 24 2.654 26.556 5.382 938 HA2 GLY 24 HA2 GLY 24 0.136 26.336 5.793 939 H SER 25 H SER 25 -1.490 25.727 3.969 940 HA SER 25 HA SER 25 -2.112 23.849 2.868 941 HB2 SER 25 HB1 SER 25 0.088 24.029 1.641 942 HB3 SER 25 HB2 SER 25 0.747 22.873 2.823 943 HG SER 25 HG SER 25 0.034 21.856 0.887 944 H LYS 26 H LYS 26 -2.720 21.660 3.379 945 HA LYS 26 HA LYS 26 -1.634 20.579 5.940 946 HB2 LYS 26 HB1 LYS 26 -4.414 20.548 4.735 947 HB3 LYS 26 HB2 LYS 26 -3.933 19.471 6.070 948 HG2 LYS 26 HG1 LYS 26 -3.343 21.460 7.442 949 HG3 LYS 26 HG2 LYS 26 -3.865 22.522 6.112 950 HD2 LYS 26 HD1 LYS 26 -5.686 20.453 7.381 951 HD3 LYS 26 HD2 LYS 26 -5.553 22.120 7.991 952 HE2 LYS 26 HE1 LYS 26 -6.246 21.540 5.107 953 HE3 LYS 26 HE2 LYS 26 -7.488 21.556 6.379 954 HZ1 LYS 26 HZ1 LYS 26 -7.310 23.662 5.281 955 HZ2 LYS 26 HZ2 LYS 26 -6.869 23.804 6.862 956 HZ3 LYS 26 HZ3 LYS 26 -5.717 23.788 5.682 957 H LEU 27 H LEU 27 -1.414 20.099 2.666 958 HA LEU 27 HA LEU 27 -0.726 17.244 3.073 959 HB2 LEU 27 HB1 LEU 27 -2.305 18.435 0.793 960 HB3 LEU 27 HB2 LEU 27 -1.417 16.902 0.624 961 HG LEU 27 HG LEU 27 -3.646 17.450 2.620 962 HD11 LEU 27 HD11 LEU 27 -4.963 15.918 1.171 963 HD12 LEU 27 HD12 LEU 27 -4.411 17.344 0.261 964 HD13 LEU 27 HD13 LEU 27 -3.579 15.785 0.060 965 HD21 LEU 27 HD21 LEU 27 -3.610 14.999 3.037 966 HD22 LEU 27 HD22 LEU 27 -2.223 14.839 1.938 967 HD23 LEU 27 HD23 LEU 27 -2.055 15.746 3.460 968 H THR 28 H THR 28 0.203 20.326 1.613 969 HA THR 28 HA THR 28 2.894 19.090 1.331 970 HB THR 28 HB THR 28 3.616 21.158 0.237 971 HG1 THR 28 HG1 THR 28 2.013 22.627 -0.483 972 HG21 THR 28 HG21 THR 28 2.453 20.856 -1.929 973 HG22 THR 28 HG22 THR 28 2.836 19.294 -1.174 974 HG23 THR 28 HG23 THR 28 1.177 19.937 -1.106 975 H LEU 29 H LEU 29 4.655 20.632 2.154 976 HA LEU 29 HA LEU 29 4.181 22.787 3.910 977 HB2 LEU 29 HB1 LEU 29 4.478 22.090 6.022 978 HB3 LEU 29 HB2 LEU 29 3.603 20.689 5.356 979 HG LEU 29 HG LEU 29 6.579 20.848 5.887 980 HD11 LEU 29 HD11 LEU 29 6.074 19.238 7.708 981 HD12 LEU 29 HD12 LEU 29 5.195 20.766 7.938 982 HD13 LEU 29 HD13 LEU 29 4.344 19.335 7.310 983 HD21 LEU 29 HD21 LEU 29 6.601 18.420 5.433 984 HD22 LEU 29 HD22 LEU 29 4.878 18.490 5.009 985 HD23 LEU 29 HD23 LEU 29 6.078 19.342 4.008 986 H SER 30 H SER 30 6.607 23.208 5.143 987 HA SER 30 HA SER 30 8.402 23.230 2.893 988 HB2 SER 30 HB1 SER 30 9.983 24.403 4.251 989 HB3 SER 30 HB2 SER 30 8.359 25.071 4.538 990 HG SER 30 HG SER 30 9.553 24.773 6.475 991 H ARG 31 H ARG 31 10.277 22.243 2.490 992 HA ARG 31 HA ARG 31 10.902 19.641 3.499 993 HB2 ARG 31 HB1 ARG 31 11.195 20.521 1.240 994 HB3 ARG 31 HB2 ARG 31 12.436 21.645 1.845 995 HG2 ARG 31 HG1 ARG 31 14.060 20.018 1.945 996 HG3 ARG 31 HG2 ARG 31 12.887 18.695 2.152 997 HD2 ARG 31 HD1 ARG 31 12.260 19.817 -0.352 998 HD3 ARG 31 HD2 ARG 31 14.036 19.815 -0.303 999 HE ARG 31 HE ARG 31 12.247 17.541 -0.550 1000 HH11 ARG 31 HH12 ARG 31 15.496 18.391 0.457 1001 HH12 ARG 31 HH11 ARG 31 16.129 16.805 0.086 1002 HH21 ARG 31 HH22 ARG 31 13.080 15.559 -1.074 1003 HH22 ARG 31 HH21 ARG 31 14.767 15.209 -0.776 1004 H LYS 32 H LYS 32 11.394 22.633 4.980 1005 HA LYS 32 HA LYS 32 13.601 21.793 6.708 1006 HB2 LYS 32 HB1 LYS 32 13.159 24.176 5.981 1007 HB3 LYS 32 HB2 LYS 32 11.687 24.143 6.983 1008 HG2 LYS 32 HG1 LYS 32 12.850 24.429 8.903 1009 HG3 LYS 32 HG2 LYS 32 14.111 23.269 8.422 1010 HD2 LYS 32 HD1 LYS 32 15.019 25.549 8.725 1011 HD3 LYS 32 HD2 LYS 32 15.199 24.977 7.049 1012 HE2 LYS 32 HE1 LYS 32 13.049 26.266 6.527 1013 HE3 LYS 32 HE2 LYS 32 13.222 27.013 8.129 1014 HZ1 LYS 32 HZ1 LYS 32 14.222 28.345 6.416 1015 HZ2 LYS 32 HZ2 LYS 32 15.380 27.803 7.458 1016 HZ3 LYS 32 HZ3 LYS 32 15.220 27.110 5.971 1017 H GLU 33 H GLU 33 10.036 22.358 7.069 1018 HA GLU 33 HA GLU 33 9.997 21.653 9.830 1019 HB2 GLU 33 HB1 GLU 33 8.357 23.035 8.412 1020 HB3 GLU 33 HB2 GLU 33 7.652 21.471 7.939 1021 HG2 GLU 33 HG1 GLU 33 6.339 22.155 9.742 1022 HG3 GLU 33 HG2 GLU 33 7.478 20.989 10.451 1023 H LEU 34 H LEU 34 9.489 19.599 6.873 1024 HA LEU 34 HA LEU 34 8.820 17.186 8.148 1025 HB2 LEU 34 HB1 LEU 34 8.818 17.304 5.778 1026 HB3 LEU 34 HB2 LEU 34 10.523 17.816 5.724 1027 HG LEU 34 HG LEU 34 11.187 15.558 6.526 1028 HD11 LEU 34 HD11 LEU 34 9.543 13.710 6.477 1029 HD12 LEU 34 HD12 LEU 34 9.095 14.945 7.674 1030 HD13 LEU 34 HD13 LEU 34 8.253 14.876 6.108 1031 HD21 LEU 34 HD21 LEU 34 10.756 14.337 4.416 1032 HD22 LEU 34 HD22 LEU 34 9.485 15.507 4.004 1033 HD23 LEU 34 HD23 LEU 34 11.183 16.033 4.107 1034 H LYS 35 H LYS 35 12.139 18.540 7.655 1035 HA LYS 35 HA LYS 35 13.558 16.394 8.827 1036 HB2 LYS 35 HB1 LYS 35 15.225 17.666 8.091 1037 HB3 LYS 35 HB2 LYS 35 14.068 18.979 7.758 1038 HG2 LYS 35 HG1 LYS 35 14.374 19.772 10.106 1039 HG3 LYS 35 HG2 LYS 35 15.628 18.528 10.324 1040 HD2 LYS 35 HD1 LYS 35 16.958 19.585 8.496 1041 HD3 LYS 35 HD2 LYS 35 15.722 20.858 8.361 1042 HE2 LYS 35 HE1 LYS 35 15.992 21.283 10.843 1043 HE3 LYS 35 HE2 LYS 35 17.348 20.135 10.844 1044 HZ1 LYS 35 HZ1 LYS 35 18.096 22.395 10.657 1045 HZ2 LYS 35 HZ2 LYS 35 18.470 21.559 9.286 1046 HZ3 LYS 35 HZ3 LYS 35 17.211 22.623 9.285 1047 H GLU 36 H GLU 36 11.690 18.953 10.301 1048 HA GLU 36 HA GLU 36 12.890 18.672 12.936 1049 HB2 GLU 36 HB1 GLU 36 11.963 20.786 11.575 1050 HB3 GLU 36 HB2 GLU 36 10.461 20.341 12.421 1051 HG2 GLU 36 HG1 GLU 36 11.802 21.971 13.714 1052 HG3 GLU 36 HG2 GLU 36 11.608 20.430 14.575 1053 H LEU 37 H LEU 37 9.676 17.940 11.451 1054 HA LEU 37 HA LEU 37 8.374 16.717 13.596 1055 HB2 LEU 37 HB1 LEU 37 7.270 17.041 11.530 1056 HB3 LEU 37 HB2 LEU 37 8.540 16.188 10.620 1057 HG LEU 37 HG LEU 37 7.791 14.056 11.601 1058 HD11 LEU 37 HD11 LEU 37 5.608 13.873 12.750 1059 HD12 LEU 37 HD12 LEU 37 6.760 14.843 13.692 1060 HD13 LEU 37 HD13 LEU 37 5.473 15.644 12.759 1061 HD21 LEU 37 HD21 LEU 37 5.702 13.887 10.275 1062 HD22 LEU 37 HD22 LEU 37 5.588 15.661 10.236 1063 HD23 LEU 37 HD23 LEU 37 6.937 14.838 9.418 1064 H ILE 38 H ILE 38 10.820 15.303 11.420 1065 HA ILE 38 HA ILE 38 10.949 12.743 12.731 1066 HB ILE 38 HB ILE 38 12.717 14.143 10.704 1067 HG12 ILE 38 HG13 ILE 38 10.765 11.824 10.368 1068 HG13 ILE 38 HG12 ILE 38 10.305 13.528 10.141 1069 HG21 ILE 38 HG21 ILE 38 13.733 11.936 10.213 1070 HG22 ILE 38 HG22 ILE 38 14.075 12.449 11.878 1071 HG23 ILE 38 HG23 ILE 38 12.825 11.222 11.563 1072 HD11 ILE 38 HD11 ILE 38 10.816 12.446 7.978 1073 HD12 ILE 38 HD12 ILE 38 11.977 13.742 8.343 1074 HD13 ILE 38 HD13 ILE 38 12.440 12.038 8.571 1075 H LYS 39 H LYS 39 12.581 15.832 13.373 1076 HA LYS 39 HA LYS 39 14.229 14.598 15.437 1077 HB2 LYS 39 HB1 LYS 39 13.984 17.178 14.076 1078 HB3 LYS 39 HB2 LYS 39 14.262 17.348 15.826 1079 HG2 LYS 39 HG1 LYS 39 16.406 17.273 15.021 1080 HG3 LYS 39 HG2 LYS 39 16.110 15.572 15.460 1081 HD2 LYS 39 HD1 LYS 39 16.046 16.722 12.671 1082 HD3 LYS 39 HD2 LYS 39 17.409 15.848 13.410 1083 HE2 LYS 39 HE1 LYS 39 14.754 14.756 12.494 1084 HE3 LYS 39 HE2 LYS 39 16.381 14.371 11.894 1085 HZ1 LYS 39 HZ1 LYS 39 15.501 12.623 13.265 1086 HZ2 LYS 39 HZ2 LYS 39 16.824 13.294 13.977 1087 HZ3 LYS 39 HZ3 LYS 39 15.314 13.653 14.534 1088 H LYS 40 H LYS 40 10.908 15.501 15.420 1089 HA LYS 40 HA LYS 40 10.955 16.177 18.311 1090 HB2 LYS 40 HB1 LYS 40 9.390 17.056 15.957 1091 HB3 LYS 40 HB2 LYS 40 8.440 16.807 17.441 1092 HG2 LYS 40 HG1 LYS 40 9.227 19.134 17.114 1093 HG3 LYS 40 HG2 LYS 40 9.757 18.389 18.641 1094 HD2 LYS 40 HD1 LYS 40 12.008 18.123 17.805 1095 HD3 LYS 40 HD2 LYS 40 11.515 18.641 16.174 1096 HE2 LYS 40 HE1 LYS 40 10.876 20.848 17.042 1097 HE3 LYS 40 HE2 LYS 40 11.279 20.336 18.696 1098 HZ1 LYS 40 HZ1 LYS 40 13.044 21.605 17.701 1099 HZ2 LYS 40 HZ2 LYS 40 13.548 20.060 17.988 1100 HZ3 LYS 40 HZ3 LYS 40 13.174 20.535 16.453 1101 H GLU 41 H GLU 41 9.411 13.902 15.984 1102 HA GLU 41 HA GLU 41 8.721 12.293 18.308 1103 HB2 GLU 41 HB1 GLU 41 6.413 11.943 17.831 1104 HB3 GLU 41 HB2 GLU 41 6.763 13.665 18.109 1105 HG2 GLU 41 HG1 GLU 41 6.653 14.060 15.665 1106 HG3 GLU 41 HG2 GLU 41 6.245 12.348 15.421 1107 H LEU 42 H LEU 42 10.437 12.120 15.721 1108 HA LEU 42 HA LEU 42 9.976 9.170 15.765 1109 HB2 LEU 42 HB1 LEU 42 10.161 10.675 13.536 1110 HB3 LEU 42 HB2 LEU 42 11.894 10.394 13.831 1111 HG LEU 42 HG LEU 42 9.793 8.212 13.692 1112 HD11 LEU 42 HD11 LEU 42 10.683 7.724 11.435 1113 HD12 LEU 42 HD12 LEU 42 10.017 9.370 11.529 1114 HD13 LEU 42 HD13 LEU 42 11.778 9.118 11.570 1115 HD21 LEU 42 HD21 LEU 42 11.693 6.649 13.432 1116 HD22 LEU 42 HD22 LEU 42 12.824 8.006 13.599 1117 HD23 LEU 42 HD23 LEU 42 11.784 7.536 14.966 1118 H CYS 43 H CYS 43 11.120 8.334 17.395 1119 HA CYS 43 HA CYS 43 13.930 9.221 17.862 1120 HB2 CYS 43 HB1 CYS 43 12.459 9.497 19.794 1121 HB3 CYS 43 HB2 CYS 43 11.928 7.802 19.662 1122 HG CYS 43 HG CYS 43 13.529 8.074 21.715 1123 H LEU 44 H LEU 44 15.523 7.517 18.197 1124 HA LEU 44 HA LEU 44 14.993 5.002 16.747 1125 HB2 LEU 44 HB1 LEU 44 15.186 6.619 14.981 1126 HB3 LEU 44 HB2 LEU 44 16.570 7.411 15.772 1127 HG LEU 44 HG LEU 44 17.949 5.435 15.335 1128 HD11 LEU 44 HD11 LEU 44 17.198 3.639 13.833 1129 HD12 LEU 44 HD12 LEU 44 16.240 3.689 15.329 1130 HD13 LEU 44 HD13 LEU 44 15.565 4.339 13.817 1131 HD21 LEU 44 HD21 LEU 44 18.167 5.817 12.913 1132 HD22 LEU 44 HD22 LEU 44 16.561 6.585 12.887 1133 HD23 LEU 44 HD23 LEU 44 17.894 7.340 13.793 1134 H GLY 45 H GLY 45 17.313 7.256 18.329 1135 HA2 GLY 45 HA2 GLY 45 18.934 7.117 19.036 1136 H GLU 46 H GLU 46 21.331 6.780 19.309 1137 HA GLU 46 HA GLU 46 22.005 7.349 16.495 1138 HB2 GLU 46 HB1 GLU 46 23.964 8.593 17.592 1139 HB3 GLU 46 HB2 GLU 46 22.328 9.289 17.586 1140 HG2 GLU 46 HG1 GLU 46 22.298 8.097 20.015 1141 HG3 GLU 46 HG2 GLU 46 24.037 8.432 19.866 1142 H MET 47 H MET 47 21.969 4.602 17.787 1143 HA MET 47 HA MET 47 24.699 3.725 17.546 1144 HB2 MET 47 HB1 MET 47 23.879 1.494 17.696 1145 HB3 MET 47 HB2 MET 47 23.037 2.522 18.879 1146 HG2 MET 47 HG1 MET 47 21.819 1.824 16.210 1147 HG3 MET 47 HG2 MET 47 21.686 0.746 17.611 1148 HE1 MET 47 HE1 MET 47 18.805 3.938 16.483 1149 HE2 MET 47 HE2 MET 47 20.460 3.976 15.835 1150 HE3 MET 47 HE3 MET 47 19.461 2.515 15.643 1151 H LYS 48 H LYS 48 22.381 4.553 15.135 1152 HA LYS 48 HA LYS 48 23.799 3.150 12.993 1153 HB2 LYS 48 HB1 LYS 48 21.219 3.629 13.463 1154 HB3 LYS 48 HB2 LYS 48 21.596 5.196 12.706 1155 HG2 LYS 48 HG1 LYS 48 20.819 3.640 11.040 1156 HG3 LYS 48 HG2 LYS 48 22.536 4.026 10.774 1157 HD2 LYS 48 HD1 LYS 48 21.921 1.635 10.384 1158 HD3 LYS 48 HD2 LYS 48 23.233 1.893 11.558 1159 HE2 LYS 48 HE1 LYS 48 21.879 1.270 13.385 1160 HE3 LYS 48 HE2 LYS 48 20.378 1.454 12.451 1161 HZ1 LYS 48 HZ1 LYS 48 20.956 -0.850 12.761 1162 HZ2 LYS 48 HZ2 LYS 48 21.023 -0.459 11.160 1163 HZ3 LYS 48 HZ3 LYS 48 22.415 -0.630 12.027 1164 H GLU 49 H GLU 49 25.346 3.961 11.858 1165 HA GLU 49 HA GLU 49 26.238 6.763 12.121 1166 HB2 GLU 49 HB1 GLU 49 27.463 4.258 12.180 1167 HB3 GLU 49 HB2 GLU 49 27.873 4.883 10.564 1168 HG2 GLU 49 HG1 GLU 49 28.372 6.364 13.168 1169 HG3 GLU 49 HG2 GLU 49 29.584 5.388 12.308 1170 H SER 50 H SER 50 27.665 6.519 9.523 1171 HA SER 50 HA SER 50 26.140 8.232 7.964 1172 HB2 SER 50 HB1 SER 50 28.558 6.533 7.259 1173 HB3 SER 50 HB2 SER 50 27.939 7.873 6.265 1174 HG SER 50 HG SER 50 29.639 8.518 7.668 1175 H SER 51 H SER 51 24.182 7.111 7.853 1176 HA SER 51 HA SER 51 23.534 6.000 5.259 1177 HB2 SER 51 HB1 SER 51 24.229 3.973 6.551 1178 HB3 SER 51 HB2 SER 51 23.017 4.377 7.791 1179 HG SER 51 HG SER 51 22.290 2.756 6.331 1180 H ILE 52 H ILE 52 22.635 7.037 8.584 1181 HA ILE 52 HA ILE 52 19.942 7.755 7.736 1182 HB ILE 52 HB ILE 52 19.630 8.593 9.995 1183 HG12 ILE 52 HG13 ILE 52 21.691 7.789 11.588 1184 HG13 ILE 52 HG12 ILE 52 22.578 8.444 10.192 1185 HG21 ILE 52 HG21 ILE 52 19.876 6.427 11.167 1186 HG22 ILE 52 HG22 ILE 52 19.315 6.204 9.496 1187 HG23 ILE 52 HG23 ILE 52 21.015 5.884 9.915 1188 HD11 ILE 52 HD11 ILE 52 22.214 10.191 11.915 1189 HD12 ILE 52 HD12 ILE 52 21.350 10.579 10.413 1190 HD13 ILE 52 HD13 ILE 52 20.460 9.924 11.808 1191 H ASP 53 H ASP 53 23.036 9.571 8.028 1192 HA ASP 53 HA ASP 53 21.447 12.040 8.059 1193 HB2 ASP 53 HB1 ASP 53 23.550 11.562 9.561 1194 HB3 ASP 53 HB2 ASP 53 24.428 12.192 8.151 1195 H ASP 54 H ASP 54 23.231 10.223 5.625 1196 HA ASP 54 HA ASP 54 23.566 12.212 3.677 1197 HB2 ASP 54 HB1 ASP 54 24.079 9.852 3.216 1198 HB3 ASP 54 HB2 ASP 54 22.356 9.431 3.324 1199 H LEU 55 H LEU 55 20.615 10.579 4.745 1200 HA LEU 55 HA LEU 55 18.768 11.878 2.976 1201 HB2 LEU 55 HB1 LEU 55 18.307 10.404 5.593 1202 HB3 LEU 55 HB2 LEU 55 17.109 10.709 4.313 1203 HG LEU 55 HG LEU 55 19.556 8.916 4.120 1204 HD11 LEU 55 HD11 LEU 55 17.875 7.109 3.953 1205 HD12 LEU 55 HD12 LEU 55 17.709 8.006 5.482 1206 HD13 LEU 55 HD13 LEU 55 16.570 8.303 4.147 1207 HD21 LEU 55 HD21 LEU 55 18.717 8.292 1.882 1208 HD22 LEU 55 HD22 LEU 55 17.420 9.498 2.032 1209 HD23 LEU 55 HD23 LEU 55 19.118 10.023 1.964 1210 H MET 56 H MET 56 19.335 12.250 6.551 1211 HA MET 56 HA MET 56 17.549 14.409 6.882 1212 HB2 MET 56 HB1 MET 56 19.979 13.491 8.419 1213 HB3 MET 56 HB2 MET 56 19.051 14.926 8.916 1214 HG2 MET 56 HG1 MET 56 17.970 12.116 8.606 1215 HG3 MET 56 HG2 MET 56 18.393 12.901 10.137 1216 HE1 MET 56 HE1 MET 56 15.555 15.940 9.677 1217 HE2 MET 56 HE2 MET 56 17.118 15.605 10.452 1218 HE3 MET 56 HE3 MET 56 17.031 15.864 8.693 1219 H LYS 57 H LYS 57 21.131 14.559 6.343 1220 HA LYS 57 HA LYS 57 21.210 17.397 6.139 1221 HB2 LYS 57 HB1 LYS 57 23.148 15.879 6.561 1222 HB3 LYS 57 HB2 LYS 57 23.071 15.376 4.856 1223 HG2 LYS 57 HG1 LYS 57 24.834 17.119 5.436 1224 HG3 LYS 57 HG2 LYS 57 23.746 17.528 4.088 1225 HD2 LYS 57 HD1 LYS 57 22.419 18.960 5.500 1226 HD3 LYS 57 HD2 LYS 57 23.296 18.422 6.954 1227 HE2 LYS 57 HE1 LYS 57 25.356 19.489 6.079 1228 HE3 LYS 57 HE2 LYS 57 24.440 20.067 4.670 1229 HZ1 LYS 57 HZ1 LYS 57 24.591 21.736 6.377 1230 HZ2 LYS 57 HZ2 LYS 57 23.019 21.281 6.171 1231 HZ3 LYS 57 HZ3 LYS 57 23.868 20.744 7.480 1232 H SER 58 H SER 58 20.360 14.924 3.736 1233 HA SER 58 HA SER 58 20.370 16.796 1.563 1234 HB2 SER 58 HB1 SER 58 19.267 14.008 1.807 1235 HB3 SER 58 HB2 SER 58 18.992 15.012 0.363 1236 HG SER 58 HG SER 58 20.904 13.735 0.209 1237 H LEU 59 H LEU 59 17.851 16.141 3.991 1238 HA LEU 59 HA LEU 59 15.840 17.699 2.609 1239 HB2 LEU 59 HB1 LEU 59 16.315 17.244 5.577 1240 HB3 LEU 59 HB2 LEU 59 14.870 18.006 4.873 1241 HG LEU 59 HG LEU 59 15.760 15.131 4.522 1242 HD11 LEU 59 HD11 LEU 59 13.700 14.647 5.810 1243 HD12 LEU 59 HD12 LEU 59 14.814 15.680 6.739 1244 HD13 LEU 59 HD13 LEU 59 13.382 16.392 5.955 1245 HD21 LEU 59 HD21 LEU 59 13.636 14.796 3.298 1246 HD22 LEU 59 HD22 LEU 59 13.301 16.537 3.408 1247 HD23 LEU 59 HD23 LEU 59 14.690 15.955 2.459 1248 H ASP 60 H ASP 60 18.249 18.452 5.134 1249 HA ASP 60 HA ASP 60 17.865 21.227 5.392 1250 HB2 ASP 60 HB1 ASP 60 19.101 19.496 6.801 1251 HB3 ASP 60 HB2 ASP 60 20.451 19.669 5.660 1252 H LYS 61 H LYS 61 19.767 19.440 2.988 1253 HA LYS 61 HA LYS 61 21.111 21.483 1.637 1254 HB2 LYS 61 HB1 LYS 61 21.133 18.940 1.461 1255 HB3 LYS 61 HB2 LYS 61 19.717 19.112 0.396 1256 HG2 LYS 61 HG1 LYS 61 20.987 20.262 -1.269 1257 HG3 LYS 61 HG2 LYS 61 22.353 20.521 -0.157 1258 HD2 LYS 61 HD1 LYS 61 22.792 18.647 -1.766 1259 HD3 LYS 61 HD2 LYS 61 22.773 18.083 -0.078 1260 HE2 LYS 61 HE1 LYS 61 20.335 17.520 -0.370 1261 HE3 LYS 61 HE2 LYS 61 20.496 17.929 -2.092 1262 HZ1 LYS 61 HZ1 LYS 61 20.671 15.573 -1.717 1263 HZ2 LYS 61 HZ2 LYS 61 22.095 16.164 -2.296 1264 HZ3 LYS 61 HZ3 LYS 61 21.947 15.785 -0.697 1265 H ASN 62 H ASN 62 17.654 21.068 1.783 1266 HA ASN 62 HA ASN 62 17.147 22.813 -0.529 1267 HB2 ASN 62 HB1 ASN 62 16.277 19.901 -0.425 1268 HB3 ASN 62 HB2 ASN 62 15.732 21.087 -1.629 1269 HD21 ASN 62 HD21 ASN 62 17.739 22.284 -2.707 1270 HD22 ASN 62 HD22 ASN 62 18.999 21.208 -3.283 1271 H SER 63 H SER 63 16.619 22.752 2.398 1272 HA SER 63 HA SER 63 14.058 21.914 3.178 1273 HB2 SER 63 HB1 SER 63 14.713 23.142 5.258 1274 HB3 SER 63 HB2 SER 63 15.976 22.046 4.649 1275 HG SER 63 HG SER 63 16.808 24.084 5.306 1276 H ASP 64 H ASP 64 14.925 24.842 1.575 1277 HA ASP 64 HA ASP 64 12.682 26.349 2.823 1278 HB2 ASP 64 HB1 ASP 64 15.298 27.201 1.580 1279 HB3 ASP 64 HB2 ASP 64 13.964 28.340 1.857 1280 H GLN 65 H GLN 65 12.378 24.285 1.074 1281 HA GLN 65 HA GLN 65 10.900 25.484 -1.218 1282 HB2 GLN 65 HB1 GLN 65 12.223 22.760 -0.853 1283 HB3 GLN 65 HB2 GLN 65 11.287 23.272 -2.278 1284 HG2 GLN 65 HG1 GLN 65 13.886 24.553 -1.371 1285 HG3 GLN 65 HG2 GLN 65 13.759 23.295 -2.619 1286 HE21 GLN 65 HE12 GLN 65 12.976 26.709 -1.856 1287 HE22 GLN 65 HE22 GLN 65 12.691 27.177 -3.515 1288 H GLU 66 H GLU 66 8.767 24.355 -1.615 1289 HA GLU 66 HA GLU 66 7.703 22.942 0.713 1290 HB2 GLU 66 HB1 GLU 66 6.511 23.594 -1.987 1291 HB3 GLU 66 HB2 GLU 66 5.693 22.544 -0.807 1292 HG2 GLU 66 HG1 GLU 66 5.741 24.436 0.831 1293 HG3 GLU 66 HG2 GLU 66 6.423 25.471 -0.442 1294 H ILE 67 H ILE 67 6.951 20.861 0.756 1295 HA ILE 67 HA ILE 67 7.667 18.958 -1.409 1296 HB ILE 67 HB ILE 67 7.780 17.294 0.655 1297 HG12 ILE 67 HG13 ILE 67 8.873 19.789 1.945 1298 HG13 ILE 67 HG12 ILE 67 7.238 19.156 2.255 1299 HG21 ILE 67 HG21 ILE 67 10.223 17.485 0.631 1300 HG22 ILE 67 HG22 ILE 67 9.536 17.627 -1.003 1301 HG23 ILE 67 HG23 ILE 67 10.091 19.081 -0.142 1302 HD11 ILE 67 HD11 ILE 67 8.814 18.452 4.010 1303 HD12 ILE 67 HD12 ILE 67 8.206 17.062 3.084 1304 HD13 ILE 67 HD13 ILE 67 9.840 17.696 2.773 1305 H ASP 68 H ASP 68 6.320 17.075 -1.458 1306 HA ASP 68 HA ASP 68 3.640 17.405 -0.260 1307 HB2 ASP 68 HB1 ASP 68 2.954 15.772 -1.937 1308 HB3 ASP 68 HB2 ASP 68 3.822 17.130 -2.687 1309 H PHE 69 H PHE 69 2.519 15.321 0.291 1310 HA PHE 69 HA PHE 69 3.685 14.009 2.486 1311 HB2 PHE 69 HB1 PHE 69 1.216 14.337 1.541 1312 HB3 PHE 69 HB2 PHE 69 1.509 12.719 0.882 1313 HD1 PHE 69 HD2 PHE 69 2.164 10.833 2.563 1314 HD2 PHE 69 HD1 PHE 69 0.597 14.654 3.784 1315 HE1 PHE 69 HE2 PHE 69 1.394 9.830 4.697 1316 HE2 PHE 69 HE1 PHE 69 -0.147 13.654 5.934 1317 HZ PHE 69 HZ PHE 69 0.203 11.233 6.366 1318 H LYS 70 H LYS 70 4.135 13.293 -0.918 1319 HA LYS 70 HA LYS 70 4.854 10.504 -0.679 1320 HB2 LYS 70 HB1 LYS 70 4.182 11.400 -2.785 1321 HB3 LYS 70 HB2 LYS 70 5.346 12.741 -2.662 1322 HG2 LYS 70 HG1 LYS 70 7.201 11.186 -3.014 1323 HG3 LYS 70 HG2 LYS 70 6.060 9.821 -3.087 1324 HD2 LYS 70 HD1 LYS 70 6.769 10.616 -5.322 1325 HD3 LYS 70 HD2 LYS 70 5.012 10.716 -5.056 1326 HE2 LYS 70 HE1 LYS 70 6.258 12.606 -6.332 1327 HE3 LYS 70 HE2 LYS 70 4.979 13.005 -5.165 1328 HZ1 LYS 70 HZ1 LYS 70 6.867 14.452 -4.942 1329 HZ2 LYS 70 HZ2 LYS 70 6.679 13.543 -3.583 1330 HZ3 LYS 70 HZ3 LYS 70 7.866 13.173 -4.667 1331 H GLU 71 H GLU 71 6.818 13.547 -1.021 1332 HA GLU 71 HA GLU 71 9.356 12.400 -0.601 1333 HB2 GLU 71 HB1 GLU 71 8.137 15.097 0.003 1334 HB3 GLU 71 HB2 GLU 71 9.808 14.731 0.492 1335 HG2 GLU 71 HG1 GLU 71 9.265 13.920 -2.273 1336 HG3 GLU 71 HG2 GLU 71 8.981 15.655 -2.018 1337 H TYR 72 H TYR 72 6.876 13.486 1.741 1338 HA TYR 72 HA TYR 72 8.355 12.898 4.095 1339 HB2 TYR 72 HB1 TYR 72 6.522 14.320 4.239 1340 HB3 TYR 72 HB2 TYR 72 5.456 13.194 3.383 1341 HD1 TYR 72 HD2 TYR 72 7.605 12.661 6.438 1342 HD2 TYR 72 HD1 TYR 72 3.654 12.718 4.742 1343 HE1 TYR 72 HE2 TYR 72 6.641 12.212 8.679 1344 HE2 TYR 72 HE1 TYR 72 2.690 12.164 6.964 1345 HH TYR 72 HH TYR 72 4.741 11.950 9.913 1346 H SER 73 H SER 73 6.101 10.730 2.245 1347 HA SER 73 HA SER 73 6.485 8.584 4.140 1348 HB2 SER 73 HB1 SER 73 5.082 7.291 2.636 1349 HB3 SER 73 HB2 SER 73 4.392 8.909 2.909 1350 HG SER 73 HG SER 73 4.344 8.281 0.704 1351 H VAL 74 H VAL 74 7.876 9.193 0.835 1352 HA VAL 74 HA VAL 74 9.330 6.724 0.894 1353 HB VAL 74 HB VAL 74 10.624 7.422 -0.932 1354 HG11 VAL 74 HG11 VAL 74 8.895 7.892 -2.605 1355 HG12 VAL 74 HG12 VAL 74 8.353 6.711 -1.394 1356 HG13 VAL 74 HG13 VAL 74 7.790 8.396 -1.309 1357 HG21 VAL 74 HG21 VAL 74 10.595 9.632 -2.006 1358 HG22 VAL 74 HG22 VAL 74 9.574 10.243 -0.692 1359 HG23 VAL 74 HG23 VAL 74 11.235 9.695 -0.353 1360 H PHE 75 H PHE 75 10.082 9.992 2.158 1361 HA PHE 75 HA PHE 75 12.828 9.371 2.742 1362 HB2 PHE 75 HB1 PHE 75 11.842 11.677 2.658 1363 HB3 PHE 75 HB2 PHE 75 10.974 11.315 4.160 1364 HD1 PHE 75 HD2 PHE 75 12.370 10.818 6.304 1365 HD2 PHE 75 HD1 PHE 75 14.090 12.249 2.621 1366 HE1 PHE 75 HE2 PHE 75 14.393 11.573 7.534 1367 HE2 PHE 75 HE1 PHE 75 16.105 12.978 3.851 1368 HZ PHE 75 HZ PHE 75 16.253 12.672 6.307 1369 H LEU 76 H LEU 76 9.786 9.207 4.745 1370 HA LEU 76 HA LEU 76 11.007 8.082 7.042 1371 HB2 LEU 76 HB1 LEU 76 8.248 7.843 5.833 1372 HB3 LEU 76 HB2 LEU 76 8.688 7.010 7.344 1373 HG LEU 76 HG LEU 76 8.783 10.017 6.911 1374 HD11 LEU 76 HD11 LEU 76 6.757 10.009 8.345 1375 HD12 LEU 76 HD12 LEU 76 6.489 9.068 6.857 1376 HD13 LEU 76 HD13 LEU 76 6.799 8.230 8.396 1377 HD21 LEU 76 HD21 LEU 76 9.030 10.139 9.374 1378 HD22 LEU 76 HD22 LEU 76 9.076 8.362 9.454 1379 HD23 LEU 76 HD23 LEU 76 10.383 9.252 8.634 1380 H THR 77 H THR 77 9.737 6.504 4.085 1381 HA THR 77 HA THR 77 10.270 3.812 4.843 1382 HB THR 77 HB THR 77 10.054 5.101 2.106 1383 HG1 THR 77 HG1 THR 77 7.932 4.237 2.293 1384 HG21 THR 77 HG21 THR 77 9.524 2.807 1.317 1385 HG22 THR 77 HG22 THR 77 11.164 2.886 1.999 1386 HG23 THR 77 HG23 THR 77 9.837 2.177 2.950 1387 H MET 78 H MET 78 12.274 6.160 2.986 1388 HA MET 78 HA MET 78 14.469 4.448 2.468 1389 HB2 MET 78 HB1 MET 78 13.906 6.730 1.446 1390 HB3 MET 78 HB2 MET 78 14.621 7.446 2.910 1391 HG2 MET 78 HG1 MET 78 16.520 7.397 1.660 1392 HG3 MET 78 HG2 MET 78 16.596 5.729 2.256 1393 HE1 MET 78 HE1 MET 78 15.640 7.289 -1.906 1394 HE2 MET 78 HE2 MET 78 14.754 7.837 -0.457 1395 HE3 MET 78 HE3 MET 78 16.508 8.109 -0.579 1396 H LEU 79 H LEU 79 13.907 6.801 5.126 1397 HA LEU 79 HA LEU 79 16.359 6.356 6.483 1398 HB2 LEU 79 HB1 LEU 79 14.958 8.336 6.720 1399 HB3 LEU 79 HB2 LEU 79 13.668 7.355 7.457 1400 HG LEU 79 HG LEU 79 14.980 6.955 9.409 1401 HD11 LEU 79 HD11 LEU 79 17.251 7.879 9.769 1402 HD12 LEU 79 HD12 LEU 79 17.222 6.731 8.415 1403 HD13 LEU 79 HD13 LEU 79 17.261 8.482 8.098 1404 HD21 LEU 79 HD21 LEU 79 15.253 9.265 10.272 1405 HD22 LEU 79 HD22 LEU 79 15.215 9.886 8.607 1406 HD23 LEU 79 HD23 LEU 79 13.772 9.107 9.300 1407 H CYS 80 H CYS 80 13.156 4.696 6.843 1408 HA CYS 80 HA CYS 80 14.017 2.988 8.959 1409 HB2 CYS 80 HB1 CYS 80 11.654 3.393 8.228 1410 HB3 CYS 80 HB2 CYS 80 11.970 2.393 6.789 1411 HG CYS 80 HG CYS 80 10.632 1.003 8.563 1412 H MET 81 H MET 81 14.218 2.517 5.367 1413 HA MET 81 HA MET 81 15.516 -0.032 5.778 1414 HB2 MET 81 HB1 MET 81 15.609 -0.312 3.441 1415 HB3 MET 81 HB2 MET 81 14.004 0.281 3.930 1416 HG2 MET 81 HG1 MET 81 14.468 1.393 1.953 1417 HG3 MET 81 HG2 MET 81 14.786 2.577 3.230 1418 HE1 MET 81 HE1 MET 81 18.154 0.382 0.921 1419 HE2 MET 81 HE2 MET 81 17.199 -0.357 2.228 1420 HE3 MET 81 HE3 MET 81 16.423 0.050 0.679 1421 H ALA 82 H ALA 82 16.759 3.170 5.745 1422 HA ALA 82 HA ALA 82 19.481 2.610 5.251 1423 HB1 ALA 82 HB1 ALA 82 19.896 4.632 6.605 1424 HB2 ALA 82 HB2 ALA 82 18.545 4.870 5.473 1425 HB3 ALA 82 HB3 ALA 82 18.219 4.577 7.198 1426 H TYR 83 H TYR 83 17.496 1.377 7.806 1427 HA TYR 83 HA TYR 83 19.857 0.232 9.093 1428 HB2 TYR 83 HB1 TYR 83 18.874 0.778 11.359 1429 HB3 TYR 83 HB2 TYR 83 19.685 2.067 10.453 1430 HD1 TYR 83 HD1 TYR 83 16.221 0.731 11.157 1431 HD2 TYR 83 HD2 TYR 83 18.762 4.101 10.307 1432 HE1 TYR 83 HE1 TYR 83 14.328 2.277 11.613 1433 HE2 TYR 83 HE2 TYR 83 16.912 5.647 10.857 1434 HH TYR 83 HH TYR 83 14.693 5.855 11.389 1435 H ASN 84 H ASN 84 16.852 -0.526 7.879 1436 HA ASN 84 HA ASN 84 16.083 -2.472 9.829 1437 HB2 ASN 84 HB1 ASN 84 14.462 -3.246 8.290 1438 HB3 ASN 84 HB2 ASN 84 14.521 -1.470 8.237 1439 HD21 ASN 84 HD21 ASN 84 13.217 -2.446 6.240 1440 HD22 ASN 84 HD22 ASN 84 14.151 -2.467 4.758 1441 H ASP 85 H ASP 85 18.873 -2.600 8.043 1442 HA ASP 85 HA ASP 85 19.420 -5.295 7.938 1443 HB2 ASP 85 HB1 ASP 85 21.602 -4.447 9.259 1444 HB3 ASP 85 HB2 ASP 85 21.300 -4.091 7.545 1445 H PHE 86 H PHE 86 18.707 -3.430 10.898 1446 HA PHE 86 HA PHE 86 19.332 -5.464 12.777 1447 HB2 PHE 86 HB1 PHE 86 17.453 -3.099 12.792 1448 HB3 PHE 86 HB2 PHE 86 17.676 -4.144 14.204 1449 HD1 PHE 86 HD2 PHE 86 20.914 -4.228 13.286 1450 HD2 PHE 86 HD1 PHE 86 17.987 -1.265 14.368 1451 HE1 PHE 86 HE2 PHE 86 22.690 -2.854 14.342 1452 HE2 PHE 86 HE1 PHE 86 19.762 0.106 15.425 1453 HZ PHE 86 HZ PHE 86 22.109 -0.714 15.475 1454 H PHE 87 H PHE 87 16.846 -5.590 10.428 1455 HA PHE 87 HA PHE 87 15.310 -7.554 12.058 1456 HB2 PHE 87 HB1 PHE 87 14.469 -6.131 9.515 1457 HB3 PHE 87 HB2 PHE 87 13.462 -7.170 10.537 1458 HD1 PHE 87 HD1 PHE 87 14.422 -5.842 13.249 1459 HD2 PHE 87 HD2 PHE 87 12.914 -4.335 9.508 1460 HE1 PHE 87 HE1 PHE 87 13.575 -3.808 14.402 1461 HE2 PHE 87 HE2 PHE 87 12.079 -2.301 10.659 1462 HZ PHE 87 HZ PHE 87 12.412 -2.035 13.107 1463 H LEU 88 H LEU 88 17.872 -7.770 10.142 1464 HA LEU 88 HA LEU 88 16.814 -9.821 8.272 1465 HB2 LEU 88 HB1 LEU 88 18.430 -7.398 7.875 1466 HB3 LEU 88 HB2 LEU 88 19.171 -8.849 7.158 1467 HG LEU 88 HG LEU 88 16.311 -7.998 6.622 1468 HD11 LEU 88 HD11 LEU 88 17.141 -7.085 4.469 1469 HD12 LEU 88 HD12 LEU 88 17.866 -6.233 5.852 1470 HD13 LEU 88 HD13 LEU 88 18.811 -7.451 4.963 1471 HD21 LEU 88 HD21 LEU 88 16.533 -9.488 4.646 1472 HD22 LEU 88 HD22 LEU 88 18.197 -9.880 5.135 1473 HD23 LEU 88 HD23 LEU 88 16.826 -10.376 6.158 1474 H GLU 89 H GLU 89 18.215 -11.332 7.512 1475 HA GLU 89 HA GLU 89 20.113 -12.517 9.439 1476 HB2 GLU 89 HB1 GLU 89 18.577 -13.577 7.023 1477 HB3 GLU 89 HB2 GLU 89 19.661 -14.556 8.038 1478 HG2 GLU 89 HG1 GLU 89 17.661 -15.116 8.969 1479 HG3 GLU 89 HG2 GLU 89 18.075 -13.709 9.971 1480 H ASP 90 H ASP 90 20.348 -10.569 6.781 1481 HA ASP 90 HA ASP 90 22.779 -11.408 5.529 1482 HB2 ASP 90 HB1 ASP 90 21.422 -13.321 4.820 1483 HB3 ASP 90 HB2 ASP 90 20.136 -12.235 4.246 1484 H ASN 91 H ASN 91 23.271 -9.723 3.632 1485 HA ASN 91 HA ASN 91 22.063 -9.701 1.576 1486 HB2 ASN 91 HB1 ASN 91 19.823 -9.853 2.883 1487 HB3 ASN 91 HB2 ASN 91 19.808 -8.084 2.715 1488 HD21 ASN 91 HD21 ASN 91 20.344 -11.044 0.750 1489 HD22 ASN 91 HD22 ASN 91 19.489 -10.461 -0.665 1490 H LYS 92 H LYS 92 22.492 -6.926 3.779 1491 HA LYS 92 HA LYS 92 22.666 -5.087 1.479 1492 HB2 LYS 92 HB1 LYS 92 22.700 -4.672 4.482 1493 HB3 LYS 92 HB2 LYS 92 22.918 -3.355 3.304 1494 HG2 LYS 92 HG1 LYS 92 20.704 -3.762 2.369 1495 HG3 LYS 92 HG2 LYS 92 20.487 -5.188 3.412 1496 HD2 LYS 92 HD1 LYS 92 19.292 -3.251 4.341 1497 HD3 LYS 92 HD2 LYS 92 20.627 -3.734 5.413 1498 HE2 LYS 92 HE1 LYS 92 22.037 -1.943 4.521 1499 HE3 LYS 92 HE2 LYS 92 20.773 -1.496 3.354 1500 HZ1 LYS 92 HZ1 LYS 92 20.802 -0.032 5.239 1501 HZ2 LYS 92 HZ2 LYS 92 19.386 -0.873 5.193 1502 HZ3 LYS 92 HZ3 LYS 92 20.559 -1.290 6.275 Start of MODEL 13 1 HA MET 1 HA MET 1 11.685 4.578 20.078 2 HB2 MET 1 HB1 MET 1 12.077 2.142 20.115 3 HB3 MET 1 HB2 MET 1 13.553 3.121 19.931 4 HG2 MET 1 HG1 MET 1 13.915 2.822 22.425 5 HG3 MET 1 HG2 MET 1 12.600 1.635 22.395 6 HE1 MET 1 HE1 MET 1 16.893 1.191 20.814 7 HE2 MET 1 HE2 MET 1 15.879 2.578 20.349 8 HE3 MET 1 HE3 MET 1 16.293 2.312 22.059 9 H GLU 2 H GLU 2 10.028 2.665 20.218 10 HA GLU 2 HA GLU 2 7.836 2.673 20.406 11 HB2 GLU 2 HB1 GLU 2 8.284 1.364 22.396 12 HB3 GLU 2 HB2 GLU 2 8.223 2.847 23.378 13 HG2 GLU 2 HG1 GLU 2 6.132 1.634 23.559 14 HG3 GLU 2 HG2 GLU 2 5.878 3.186 22.734 15 H THR 3 H THR 3 8.609 4.925 19.400 16 HA THR 3 HA THR 3 6.600 6.779 20.506 17 HB THR 3 HB THR 3 7.239 8.359 19.099 18 HG1 THR 3 HG1 THR 3 7.776 7.983 16.919 19 HG21 THR 3 HG21 THR 3 9.595 8.333 18.399 20 HG22 THR 3 HG22 THR 3 9.382 7.687 20.039 21 HG23 THR 3 HG23 THR 3 9.645 6.581 18.672 22 HA PRO 4 HA PRO 4 3.195 5.014 18.328 23 HB2 PRO 4 HB1 PRO 4 1.746 7.151 17.362 24 HB3 PRO 4 HB2 PRO 4 1.795 6.652 19.085 25 HG2 PRO 4 HG1 PRO 4 3.413 8.815 17.733 26 HG3 PRO 4 HG2 PRO 4 2.524 8.911 19.289 27 HD2 PRO 4 HD1 PRO 4 5.211 8.437 19.190 28 HD3 PRO 4 HD2 PRO 4 4.175 7.611 20.393 29 H LEU 5 H LEU 5 4.822 7.652 16.344 30 HA LEU 5 HA LEU 5 3.963 6.378 13.914 31 HB2 LEU 5 HB1 LEU 5 4.474 8.755 13.904 32 HB3 LEU 5 HB2 LEU 5 6.187 8.395 14.229 33 HG LEU 5 HG LEU 5 5.477 8.928 11.848 34 HD11 LEU 5 HD11 LEU 5 7.117 7.452 10.770 35 HD12 LEU 5 HD12 LEU 5 7.690 8.083 12.325 36 HD13 LEU 5 HD13 LEU 5 7.097 6.410 12.205 37 HD21 LEU 5 HD21 LEU 5 4.673 7.156 10.358 38 HD22 LEU 5 HD22 LEU 5 4.478 6.090 11.759 39 HD23 LEU 5 HD23 LEU 5 3.499 7.570 11.619 40 H GLU 6 H GLU 6 7.148 6.361 15.608 41 HA GLU 6 HA GLU 6 8.585 4.629 14.006 42 HB2 GLU 6 HB1 GLU 6 9.225 5.776 16.123 43 HB3 GLU 6 HB2 GLU 6 8.254 4.589 17.026 44 HG2 GLU 6 HG1 GLU 6 9.760 2.787 16.261 45 HG3 GLU 6 HG2 GLU 6 10.738 3.985 15.386 46 H LYS 7 H LYS 7 5.794 3.758 16.121 47 HA LYS 7 HA LYS 7 6.347 0.928 15.513 48 HB2 LYS 7 HB1 LYS 7 5.432 0.345 17.452 49 HB3 LYS 7 HB2 LYS 7 6.027 1.977 17.842 50 HG2 LYS 7 HG1 LYS 7 3.987 2.091 18.829 51 HG3 LYS 7 HG2 LYS 7 3.528 2.633 17.196 52 HD2 LYS 7 HD1 LYS 7 1.956 0.961 18.087 53 HD3 LYS 7 HD2 LYS 7 2.786 0.390 16.620 54 HE2 LYS 7 HE1 LYS 7 2.426 -1.270 18.569 55 HE3 LYS 7 HE2 LYS 7 4.017 -1.217 17.778 56 HZ1 LYS 7 HZ1 LYS 7 4.209 -1.311 20.157 57 HZ2 LYS 7 HZ2 LYS 7 4.803 0.118 19.594 58 HZ3 LYS 7 HZ3 LYS 7 3.327 0.069 20.328 59 H ALA 8 H ALA 8 4.088 3.398 14.641 60 HA ALA 8 HA ALA 8 2.378 1.770 13.021 61 HB1 ALA 8 HB1 ALA 8 1.878 3.916 11.922 62 HB2 ALA 8 HB2 ALA 8 1.865 4.078 13.694 63 HB3 ALA 8 HB3 ALA 8 3.259 4.667 12.757 64 H LEU 9 H LEU 9 5.401 3.647 12.066 65 HA LEU 9 HA LEU 9 5.847 2.395 9.606 66 HB2 LEU 9 HB1 LEU 9 7.333 3.911 11.558 67 HB3 LEU 9 HB2 LEU 9 8.342 2.576 10.952 68 HG LEU 9 HG LEU 9 8.650 4.705 9.739 69 HD11 LEU 9 HD11 LEU 9 8.577 3.756 7.458 70 HD12 LEU 9 HD12 LEU 9 9.166 2.571 8.642 71 HD13 LEU 9 HD13 LEU 9 7.497 2.470 8.035 72 HD21 LEU 9 HD21 LEU 9 6.949 5.519 8.140 73 HD22 LEU 9 HD22 LEU 9 5.814 4.288 8.733 74 HD23 LEU 9 HD23 LEU 9 6.363 5.591 9.814 75 H THR 10 H THR 10 6.507 1.074 12.921 76 HA THR 10 HA THR 10 7.643 -1.367 11.971 77 HB THR 10 HB THR 10 6.172 -0.923 14.576 78 HG1 THR 10 HG1 THR 10 8.349 -0.645 15.298 79 HG21 THR 10 HG21 THR 10 7.559 -2.839 15.353 80 HG22 THR 10 HG22 THR 10 6.500 -3.326 14.011 81 HG23 THR 10 HG23 THR 10 8.226 -3.013 13.716 82 H THR 11 H THR 11 4.250 -0.453 12.635 83 HA THR 11 HA THR 11 2.987 -2.904 11.980 84 HB THR 11 HB THR 11 1.949 -0.084 11.571 85 HG1 THR 11 HG1 THR 11 1.073 -0.415 13.670 86 HG21 THR 11 HG21 THR 11 -0.309 -1.057 11.900 87 HG22 THR 11 HG22 THR 11 0.503 -1.766 10.490 88 HG23 THR 11 HG23 THR 11 0.416 -2.673 12.019 89 H MET 12 H MET 12 4.055 -0.191 9.844 90 HA MET 12 HA MET 12 2.987 -1.305 7.442 91 HB2 MET 12 HB1 MET 12 5.323 0.593 7.840 92 HB3 MET 12 HB2 MET 12 4.630 0.159 6.258 93 HG2 MET 12 HG1 MET 12 2.425 1.000 7.054 94 HG3 MET 12 HG2 MET 12 3.202 1.531 8.553 95 HE1 MET 12 HE1 MET 12 3.321 3.514 4.422 96 HE2 MET 12 HE2 MET 12 3.661 1.778 4.613 97 HE3 MET 12 HE3 MET 12 2.076 2.434 5.092 98 H VAL 13 H VAL 13 6.407 -1.466 8.761 99 HA VAL 13 HA VAL 13 7.180 -3.238 6.658 100 HB VAL 13 HB VAL 13 9.152 -3.846 7.941 101 HG11 VAL 13 HG11 VAL 13 10.160 -1.581 8.012 102 HG12 VAL 13 HG12 VAL 13 9.125 -1.788 6.582 103 HG13 VAL 13 HG13 VAL 13 8.534 -0.862 7.984 104 HG21 VAL 13 HG21 VAL 13 9.658 -2.799 10.117 105 HG22 VAL 13 HG22 VAL 13 8.025 -2.105 10.153 106 HG23 VAL 13 HG23 VAL 13 8.246 -3.869 10.216 107 H THR 14 H THR 14 5.570 -3.908 9.741 108 HA THR 14 HA THR 14 5.789 -6.756 9.654 109 HB THR 14 HB THR 14 3.634 -5.013 10.892 110 HG1 THR 14 HG1 THR 14 4.926 -5.425 12.754 111 HG21 THR 14 HG21 THR 14 3.214 -6.964 12.373 112 HG22 THR 14 HG22 THR 14 2.899 -7.373 10.673 113 HG23 THR 14 HG23 THR 14 4.405 -7.911 11.454 114 H THR 15 H THR 15 3.130 -4.576 8.466 115 HA THR 15 HA THR 15 1.586 -6.723 7.398 116 HB THR 15 HB THR 15 0.527 -4.799 5.993 117 HG1 THR 15 HG1 THR 15 0.847 -2.784 7.013 118 HG21 THR 15 HG21 THR 15 -0.814 -4.188 7.971 119 HG22 THR 15 HG22 THR 15 -0.475 -5.935 7.933 120 HG23 THR 15 HG23 THR 15 0.441 -4.876 9.030 121 H PHE 16 H PHE 16 4.102 -4.691 5.903 122 HA PHE 16 HA PHE 16 3.822 -5.807 3.276 123 HB2 PHE 16 HB1 PHE 16 4.944 -3.696 3.772 124 HB3 PHE 16 HB2 PHE 16 6.159 -4.543 4.744 125 HD1 PHE 16 HD1 PHE 16 4.938 -3.959 1.268 126 HD2 PHE 16 HD2 PHE 16 8.087 -5.518 3.754 127 HE1 PHE 16 HE1 PHE 16 6.443 -4.066 -0.704 128 HE2 PHE 16 HE2 PHE 16 9.568 -5.680 1.771 129 HZ PHE 16 HZ PHE 16 8.733 -5.021 -0.477 130 H HIS 17 H HIS 17 6.021 -6.748 6.040 131 HA HIS 17 HA HIS 17 7.097 -9.013 4.634 132 HB2 HIS 17 HB1 HIS 17 8.133 -7.664 6.501 133 HB3 HIS 17 HB2 HIS 17 7.058 -8.526 7.617 134 HD1 HIS 17 HD1 HIS 17 7.439 -11.423 7.269 135 HD2 HIS 17 HD2 HIS 17 10.495 -8.703 6.353 136 HE1 HIS 17 HE1 HIS 17 9.629 -12.726 7.408 137 HE2 HIS 17 HE2 HIS 17 11.526 -11.076 6.892 138 H LYS 18 H LYS 18 4.063 -8.632 6.294 139 HA LYS 18 HA LYS 18 3.326 -11.328 6.725 140 HB2 LYS 18 HB1 LYS 18 2.196 -8.897 7.010 141 HB3 LYS 18 HB2 LYS 18 1.375 -9.426 5.523 142 HG2 LYS 18 HG1 LYS 18 1.357 -10.999 8.100 143 HG3 LYS 18 HG2 LYS 18 0.132 -9.779 7.673 144 HD2 LYS 18 HD1 LYS 18 -1.011 -11.548 6.892 145 HD3 LYS 18 HD2 LYS 18 0.044 -11.369 5.470 146 HE2 LYS 18 HE1 LYS 18 -0.017 -13.699 6.102 147 HE3 LYS 18 HE2 LYS 18 1.597 -13.053 6.469 148 HZ1 LYS 18 HZ1 LYS 18 0.759 -14.414 8.246 149 HZ2 LYS 18 HZ2 LYS 18 0.927 -12.856 8.757 150 HZ3 LYS 18 HZ3 LYS 18 -0.571 -13.456 8.416 151 H TYR 19 H TYR 19 3.954 -9.647 3.749 152 HA TYR 19 HA TYR 19 3.184 -12.012 2.116 153 HB2 TYR 19 HB1 TYR 19 3.261 -9.043 1.465 154 HB3 TYR 19 HB2 TYR 19 3.082 -10.312 0.241 155 HD1 TYR 19 HD1 TYR 19 1.412 -8.695 3.182 156 HD2 TYR 19 HD2 TYR 19 0.985 -11.340 -0.193 157 HE1 TYR 19 HE1 TYR 19 -1.053 -8.667 3.467 158 HE2 TYR 19 HE2 TYR 19 -1.484 -11.274 0.054 159 HH TYR 19 HH TYR 19 -3.261 -10.457 1.257 160 H SER 20 H SER 20 5.432 -9.225 2.159 161 HA SER 20 HA SER 20 7.512 -10.354 0.520 162 HB2 SER 20 HB1 SER 20 7.654 -7.986 2.424 163 HB3 SER 20 HB2 SER 20 8.635 -8.272 0.966 164 HG SER 20 HG SER 20 6.963 -6.738 0.627 165 H GLY 21 H GLY 21 7.642 -12.396 1.939 166 HA2 GLY 21 HA2 GLY 21 9.343 -13.067 2.815 167 H ARG 22 H ARG 22 7.057 -14.031 2.351 168 HA ARG 22 HA ARG 22 7.174 -16.438 4.006 169 HB2 ARG 22 HB1 ARG 22 5.978 -15.885 1.263 170 HB3 ARG 22 HB2 ARG 22 5.801 -17.416 2.154 171 HG2 ARG 22 HG1 ARG 22 4.389 -16.462 3.768 172 HG3 ARG 22 HG2 ARG 22 4.943 -14.807 3.422 173 HD2 ARG 22 HD1 ARG 22 3.400 -16.520 1.433 174 HD3 ARG 22 HD2 ARG 22 2.630 -15.358 2.532 175 HE ARG 22 HE ARG 22 4.669 -13.953 1.272 176 HH11 ARG 22 HH12 ARG 22 1.773 -15.604 0.092 177 HH12 ARG 22 HH11 ARG 22 1.614 -14.530 -1.271 178 HH21 ARG 22 HH22 ARG 22 4.381 -12.620 -0.468 179 HH22 ARG 22 HH21 ARG 22 3.058 -12.880 -1.579 180 H GLU 23 H GLU 23 8.098 -15.604 0.678 181 HA GLU 23 HA GLU 23 10.301 -17.565 0.541 182 HB2 GLU 23 HB1 GLU 23 7.865 -17.486 -1.298 183 HB3 GLU 23 HB2 GLU 23 9.366 -18.371 -1.655 184 HG2 GLU 23 HG1 GLU 23 8.997 -19.890 0.174 185 HG3 GLU 23 HG2 GLU 23 7.648 -18.912 0.793 186 H GLY 24 H GLY 24 11.668 -17.060 -1.340 187 HA2 GLY 24 HA2 GLY 24 12.739 -15.871 -2.189 188 H SER 25 H SER 25 11.109 -13.528 -0.638 189 HA SER 25 HA SER 25 13.704 -12.272 -0.155 190 HB2 SER 25 HB1 SER 25 13.146 -11.335 -2.345 191 HB3 SER 25 HB2 SER 25 11.532 -10.866 -1.757 192 HG SER 25 HG SER 25 13.014 -9.108 -1.784 193 H LYS 26 H LYS 26 13.687 -10.875 1.654 194 HA LYS 26 HA LYS 26 11.134 -10.719 3.165 195 HB2 LYS 26 HB1 LYS 26 14.061 -10.427 3.876 196 HB3 LYS 26 HB2 LYS 26 12.760 -9.977 5.005 197 HG2 LYS 26 HG1 LYS 26 11.896 -12.239 5.017 198 HG3 LYS 26 HG2 LYS 26 12.999 -12.723 3.706 199 HD2 LYS 26 HD1 LYS 26 14.015 -11.739 6.393 200 HD3 LYS 26 HD2 LYS 26 13.633 -13.451 6.089 201 HE2 LYS 26 HE1 LYS 26 15.204 -13.439 4.159 202 HE3 LYS 26 HE2 LYS 26 15.612 -11.747 4.517 203 HZ1 LYS 26 HZ1 LYS 26 17.232 -13.256 5.399 204 HZ2 LYS 26 HZ2 LYS 26 16.465 -12.465 6.623 205 HZ3 LYS 26 HZ3 LYS 26 16.087 -14.036 6.292 206 H LEU 27 H LEU 27 12.431 -8.914 0.828 207 HA LEU 27 HA LEU 27 11.767 -6.274 2.011 208 HB2 LEU 27 HB1 LEU 27 14.214 -7.074 0.405 209 HB3 LEU 27 HB2 LEU 27 13.720 -5.382 0.648 210 HG LEU 27 HG LEU 27 14.539 -7.332 2.831 211 HD11 LEU 27 HD11 LEU 27 16.547 -5.879 2.978 212 HD12 LEU 27 HD12 LEU 27 16.394 -6.595 1.355 213 HD13 LEU 27 HD13 LEU 27 15.935 -4.896 1.626 214 HD21 LEU 27 HD21 LEU 27 14.524 -5.359 4.333 215 HD22 LEU 27 HD22 LEU 27 13.904 -4.356 3.002 216 HD23 LEU 27 HD23 LEU 27 12.906 -5.673 3.667 217 H THR 28 H THR 28 11.281 -8.429 -0.606 218 HA THR 28 HA THR 28 9.943 -6.310 -2.170 219 HB THR 28 HB THR 28 10.731 -7.399 -4.282 220 HG1 THR 28 HG1 THR 28 12.634 -8.671 -4.084 221 HG21 THR 28 HG21 THR 28 12.988 -6.376 -4.323 222 HG22 THR 28 HG22 THR 28 11.809 -5.316 -3.523 223 HG23 THR 28 HG23 THR 28 12.959 -6.266 -2.550 224 H LEU 29 H LEU 29 8.458 -7.269 -3.817 225 HA LEU 29 HA LEU 29 7.604 -10.014 -3.593 226 HB2 LEU 29 HB1 LEU 29 5.482 -9.809 -2.669 227 HB3 LEU 29 HB2 LEU 29 6.544 -8.886 -1.578 228 HG LEU 29 HG LEU 29 4.679 -7.698 -3.656 229 HD11 LEU 29 HD11 LEU 29 3.305 -6.997 -1.711 230 HD12 LEU 29 HD12 LEU 29 3.471 -8.764 -1.780 231 HD13 LEU 29 HD13 LEU 29 4.438 -7.824 -0.618 232 HD21 LEU 29 HD21 LEU 29 5.099 -5.523 -2.559 233 HD22 LEU 29 HD22 LEU 29 6.263 -6.306 -1.470 234 HD23 LEU 29 HD23 LEU 29 6.594 -6.219 -3.217 235 H SER 30 H SER 30 5.504 -10.318 -5.058 236 HA SER 30 HA SER 30 6.036 -8.874 -7.535 237 HB2 SER 30 HB1 SER 30 5.219 -11.372 -7.080 238 HB3 SER 30 HB2 SER 30 3.614 -10.606 -7.186 239 HG SER 30 HG SER 30 4.407 -11.297 -9.223 240 H ARG 31 H ARG 31 4.705 -7.257 -8.567 241 HA ARG 31 HA ARG 31 3.138 -5.626 -6.898 242 HB2 ARG 31 HB1 ARG 31 2.276 -5.493 -9.684 243 HB3 ARG 31 HB2 ARG 31 2.885 -4.230 -8.589 244 HG2 ARG 31 HG1 ARG 31 5.211 -5.116 -9.080 245 HG3 ARG 31 HG2 ARG 31 4.463 -6.077 -10.379 246 HD2 ARG 31 HD1 ARG 31 5.432 -3.925 -11.174 247 HD3 ARG 31 HD2 ARG 31 3.691 -4.080 -11.496 248 HE ARG 31 HE ARG 31 3.320 -2.569 -9.565 249 HH11 ARG 31 HH12 ARG 31 6.513 -2.416 -11.088 250 HH12 ARG 31 HH11 ARG 31 6.796 -0.789 -10.530 251 HH21 ARG 31 HH22 ARG 31 3.772 -0.506 -8.877 252 HH22 ARG 31 HH21 ARG 31 5.279 0.266 -9.307 253 H LYS 32 H LYS 32 2.107 -8.415 -8.749 254 HA LYS 32 HA LYS 32 -0.659 -8.405 -8.573 255 HB2 LYS 32 HB1 LYS 32 1.100 -10.043 -9.495 256 HB3 LYS 32 HB2 LYS 32 1.147 -10.724 -7.852 257 HG2 LYS 32 HG1 LYS 32 -0.190 -12.048 -9.436 258 HG3 LYS 32 HG2 LYS 32 -1.115 -11.477 -8.026 259 HD2 LYS 32 HD1 LYS 32 -2.632 -10.493 -9.328 260 HD3 LYS 32 HD2 LYS 32 -1.375 -9.623 -10.242 261 HE2 LYS 32 HE1 LYS 32 -1.920 -12.536 -10.817 262 HE3 LYS 32 HE2 LYS 32 -2.982 -11.281 -11.490 263 HZ1 LYS 32 HZ1 LYS 32 -1.218 -11.852 -12.996 264 HZ2 LYS 32 HZ2 LYS 32 -1.058 -10.286 -12.505 265 HZ3 LYS 32 HZ3 LYS 32 -0.072 -11.452 -11.881 266 H GLU 33 H GLU 33 1.645 -9.019 -5.935 267 HA GLU 33 HA GLU 33 -0.387 -9.823 -4.002 268 HB2 GLU 33 HB1 GLU 33 2.615 -9.388 -3.789 269 HB3 GLU 33 HB2 GLU 33 1.584 -10.031 -2.489 270 HG2 GLU 33 HG1 GLU 33 1.710 -11.404 -5.174 271 HG3 GLU 33 HG2 GLU 33 2.964 -11.686 -3.948 272 H LEU 34 H LEU 34 1.756 -6.904 -4.489 273 HA LEU 34 HA LEU 34 0.981 -5.432 -2.218 274 HB2 LEU 34 HB1 LEU 34 2.702 -4.643 -3.639 275 HB3 LEU 34 HB2 LEU 34 1.643 -4.674 -5.070 276 HG LEU 34 HG LEU 34 0.354 -2.777 -4.108 277 HD11 LEU 34 HD11 LEU 34 1.312 -1.503 -2.218 278 HD12 LEU 34 HD12 LEU 34 0.873 -3.156 -1.730 279 HD13 LEU 34 HD13 LEU 34 2.578 -2.739 -2.031 280 HD21 LEU 34 HD21 LEU 34 2.070 -1.042 -4.547 281 HD22 LEU 34 HD22 LEU 34 3.347 -2.269 -4.392 282 HD23 LEU 34 HD23 LEU 34 2.176 -2.367 -5.729 283 H LYS 35 H LYS 35 -0.652 -5.536 -5.421 284 HA LYS 35 HA LYS 35 -2.955 -4.052 -4.848 285 HB2 LYS 35 HB1 LYS 35 -2.194 -4.861 -7.046 286 HB3 LYS 35 HB2 LYS 35 -2.571 -6.533 -6.566 287 HG2 LYS 35 HG1 LYS 35 -4.880 -4.803 -6.268 288 HG3 LYS 35 HG2 LYS 35 -4.223 -4.726 -7.920 289 HD2 LYS 35 HD1 LYS 35 -5.973 -6.410 -7.798 290 HD3 LYS 35 HD2 LYS 35 -4.400 -7.194 -8.084 291 HE2 LYS 35 HE1 LYS 35 -4.242 -7.846 -5.754 292 HE3 LYS 35 HE2 LYS 35 -5.717 -6.935 -5.359 293 HZ1 LYS 35 HZ1 LYS 35 -6.143 -9.275 -5.554 294 HZ2 LYS 35 HZ2 LYS 35 -6.943 -8.450 -6.734 295 HZ3 LYS 35 HZ3 LYS 35 -5.575 -9.295 -7.101 296 H GLU 36 H GLU 36 -2.210 -7.394 -3.906 297 HA GLU 36 HA GLU 36 -4.908 -8.060 -3.070 298 HB2 GLU 36 HB1 GLU 36 -3.102 -9.581 -4.054 299 HB3 GLU 36 HB2 GLU 36 -2.324 -9.519 -2.453 300 HG2 GLU 36 HG1 GLU 36 -3.551 -11.492 -2.402 301 HG3 GLU 36 HG2 GLU 36 -4.577 -10.330 -1.536 302 H LEU 37 H LEU 37 -1.846 -7.344 -1.337 303 HA LEU 37 HA LEU 37 -2.616 -7.386 1.334 304 HB2 LEU 37 HB1 LEU 37 -0.356 -7.118 0.729 305 HB3 LEU 37 HB2 LEU 37 -0.709 -5.732 -0.329 306 HG LEU 37 HG LEU 37 -1.072 -4.319 1.642 307 HD11 LEU 37 HD11 LEU 37 -0.394 -5.069 3.901 308 HD12 LEU 37 HD12 LEU 37 -1.775 -6.007 3.295 309 HD13 LEU 37 HD13 LEU 37 -0.140 -6.711 3.272 310 HD21 LEU 37 HD21 LEU 37 1.313 -4.208 2.346 311 HD22 LEU 37 HD22 LEU 37 1.580 -5.837 1.681 312 HD23 LEU 37 HD23 LEU 37 1.172 -4.485 0.594 313 H ILE 38 H ILE 38 -3.021 -4.774 -1.028 314 HA ILE 38 HA ILE 38 -4.190 -2.847 0.724 315 HB ILE 38 HB ILE 38 -3.989 -3.151 -2.278 316 HG12 ILE 38 HG13 ILE 38 -2.644 -1.206 -0.360 317 HG13 ILE 38 HG12 ILE 38 -1.951 -2.785 -0.801 318 HG21 ILE 38 HG21 ILE 38 -4.667 -0.778 -2.522 319 HG22 ILE 38 HG22 ILE 38 -5.984 -1.764 -1.854 320 HG23 ILE 38 HG23 ILE 38 -5.031 -0.710 -0.785 321 HD11 ILE 38 HD11 ILE 38 -0.980 -0.972 -2.173 322 HD12 ILE 38 HD12 ILE 38 -1.914 -2.107 -3.172 323 HD13 ILE 38 HD13 ILE 38 -2.609 -0.528 -2.732 324 H LYS 39 H LYS 39 -5.688 -5.528 -1.063 325 HA LYS 39 HA LYS 39 -8.366 -4.405 -0.531 326 HB2 LYS 39 HB1 LYS 39 -7.198 -5.737 -2.644 327 HB3 LYS 39 HB2 LYS 39 -8.061 -7.054 -1.813 328 HG2 LYS 39 HG1 LYS 39 -9.318 -4.430 -2.682 329 HG3 LYS 39 HG2 LYS 39 -9.400 -5.951 -3.602 330 HD2 LYS 39 HD1 LYS 39 -11.343 -6.250 -2.500 331 HD3 LYS 39 HD2 LYS 39 -10.295 -6.775 -1.161 332 HE2 LYS 39 HE1 LYS 39 -10.407 -4.584 -0.130 333 HE3 LYS 39 HE2 LYS 39 -11.275 -3.920 -1.531 334 HZ1 LYS 39 HZ1 LYS 39 -12.755 -4.422 0.274 335 HZ2 LYS 39 HZ2 LYS 39 -13.093 -5.384 -1.021 336 HZ3 LYS 39 HZ3 LYS 39 -12.288 -6.003 0.279 337 H LYS 40 H LYS 40 -6.183 -6.882 0.750 338 HA LYS 40 HA LYS 40 -8.418 -8.307 2.055 339 HB2 LYS 40 HB1 LYS 40 -5.513 -8.979 1.538 340 HB3 LYS 40 HB2 LYS 40 -6.533 -9.949 2.628 341 HG2 LYS 40 HG1 LYS 40 -8.189 -10.175 0.696 342 HG3 LYS 40 HG2 LYS 40 -6.945 -9.450 -0.352 343 HD2 LYS 40 HD1 LYS 40 -5.324 -11.195 0.428 344 HD3 LYS 40 HD2 LYS 40 -6.628 -11.945 1.379 345 HE2 LYS 40 HE1 LYS 40 -7.856 -12.541 -0.555 346 HE3 LYS 40 HE2 LYS 40 -6.945 -11.415 -1.586 347 HZ1 LYS 40 HZ1 LYS 40 -6.306 -13.684 -1.968 348 HZ2 LYS 40 HZ2 LYS 40 -5.042 -12.834 -1.343 349 HZ3 LYS 40 HZ3 LYS 40 -5.885 -13.879 -0.387 350 H GLU 41 H GLU 41 -5.206 -6.886 2.985 351 HA GLU 41 HA GLU 41 -6.083 -6.896 5.778 352 HB2 GLU 41 HB1 GLU 41 -3.985 -6.742 6.301 353 HB3 GLU 41 HB2 GLU 41 -3.608 -6.870 4.567 354 HG2 GLU 41 HG1 GLU 41 -2.299 -5.116 5.433 355 HG3 GLU 41 HG2 GLU 41 -3.594 -4.364 4.477 356 H LEU 42 H LEU 42 -5.594 -4.391 3.192 357 HA LEU 42 HA LEU 42 -6.657 -2.428 5.072 358 HB2 LEU 42 HB1 LEU 42 -4.636 -2.201 3.343 359 HB3 LEU 42 HB2 LEU 42 -5.944 -1.495 2.365 360 HG LEU 42 HG LEU 42 -5.324 -0.746 5.248 361 HD11 LEU 42 HD11 LEU 42 -4.391 1.353 4.335 362 HD12 LEU 42 HD12 LEU 42 -3.503 -0.069 3.741 363 HD13 LEU 42 HD13 LEU 42 -4.674 0.756 2.684 364 HD21 LEU 42 HD21 LEU 42 -6.822 1.182 4.876 365 HD22 LEU 42 HD22 LEU 42 -7.161 0.594 3.233 366 HD23 LEU 42 HD23 LEU 42 -7.674 -0.361 4.646 367 H CYS 43 H CYS 43 -8.625 -3.629 5.172 368 HA CYS 43 HA CYS 43 -10.269 -3.757 2.742 369 HB2 CYS 43 HB1 CYS 43 -9.571 -5.788 3.998 370 HB3 CYS 43 HB2 CYS 43 -10.512 -5.207 5.394 371 HG CYS 43 HG CYS 43 -11.848 -7.081 4.136 372 H LEU 44 H LEU 44 -10.427 -1.291 3.277 373 HA LEU 44 HA LEU 44 -12.419 -0.365 5.109 374 HB2 LEU 44 HB1 LEU 44 -11.566 0.820 2.443 375 HB3 LEU 44 HB2 LEU 44 -12.301 1.684 3.815 376 HG LEU 44 HG LEU 44 -9.566 0.384 3.842 377 HD11 LEU 44 HD11 LEU 44 -8.701 2.688 3.667 378 HD12 LEU 44 HD12 LEU 44 -9.687 2.253 2.250 379 HD13 LEU 44 HD13 LEU 44 -10.365 3.301 3.519 380 HD21 LEU 44 HD21 LEU 44 -9.207 1.673 5.915 381 HD22 LEU 44 HD22 LEU 44 -10.877 2.280 5.823 382 HD23 LEU 44 HD23 LEU 44 -10.571 0.544 6.077 383 H GLY 45 H GLY 45 -13.310 -2.677 3.212 384 HA2 GLY 45 HA2 GLY 45 -14.222 -3.103 1.705 385 H GLU 46 H GLU 46 -15.407 -0.307 0.216 386 HA GLU 46 HA GLU 46 -13.119 -0.154 -1.423 387 HB2 GLU 46 HB1 GLU 46 -14.396 -1.172 -3.497 388 HB3 GLU 46 HB2 GLU 46 -13.296 -2.107 -2.456 389 HG2 GLU 46 HG1 GLU 46 -16.069 -2.251 -1.531 390 HG3 GLU 46 HG2 GLU 46 -15.887 -2.813 -3.208 391 H MET 47 H MET 47 -14.670 1.592 -0.042 392 HA MET 47 HA MET 47 -16.601 2.988 -1.607 393 HB2 MET 47 HB1 MET 47 -16.324 4.712 0.220 394 HB3 MET 47 HB2 MET 47 -16.778 3.069 0.731 395 HG2 MET 47 HG1 MET 47 -15.196 4.053 2.283 396 HG3 MET 47 HG2 MET 47 -14.496 2.643 1.472 397 HE1 MET 47 HE1 MET 47 -11.143 3.778 0.578 398 HE2 MET 47 HE2 MET 47 -12.046 2.878 1.821 399 HE3 MET 47 HE3 MET 47 -12.394 2.608 0.096 400 H LYS 48 H LYS 48 -13.473 2.885 -2.431 401 HA LYS 48 HA LYS 48 -12.435 5.484 -2.299 402 HB2 LYS 48 HB1 LYS 48 -10.714 4.609 -3.863 403 HB3 LYS 48 HB2 LYS 48 -11.067 3.477 -2.537 404 HG2 LYS 48 HG1 LYS 48 -12.710 3.116 -4.992 405 HG3 LYS 48 HG2 LYS 48 -10.975 2.765 -5.177 406 HD2 LYS 48 HD1 LYS 48 -12.217 1.648 -2.723 407 HD3 LYS 48 HD2 LYS 48 -12.827 0.965 -4.249 408 HE2 LYS 48 HE1 LYS 48 -9.862 1.285 -3.692 409 HE3 LYS 48 HE2 LYS 48 -10.761 -0.169 -3.207 410 HZ1 LYS 48 HZ1 LYS 48 -9.768 -0.421 -5.373 411 HZ2 LYS 48 HZ2 LYS 48 -11.412 -0.453 -5.500 412 HZ3 LYS 48 HZ3 LYS 48 -10.578 0.895 -5.951 413 H GLU 49 H GLU 49 -15.040 4.865 -4.300 414 HA GLU 49 HA GLU 49 -15.703 5.207 -6.405 415 HB2 GLU 49 HB1 GLU 49 -15.240 7.594 -5.651 416 HB3 GLU 49 HB2 GLU 49 -13.791 7.512 -6.682 417 HG2 GLU 49 HG1 GLU 49 -15.838 6.441 -8.275 418 HG3 GLU 49 HG2 GLU 49 -16.609 7.805 -7.437 419 H SER 50 H SER 50 -12.984 6.472 -8.050 420 HA SER 50 HA SER 50 -12.138 3.775 -8.999 421 HB2 SER 50 HB1 SER 50 -14.089 4.723 -10.288 422 HB3 SER 50 HB2 SER 50 -13.063 6.113 -10.723 423 HG SER 50 HG SER 50 -13.125 4.505 -12.362 424 H SER 51 H SER 51 -10.612 4.883 -11.199 425 HA SER 51 HA SER 51 -8.820 6.062 -11.907 426 HB2 SER 51 HB1 SER 51 -9.956 8.016 -10.775 427 HB3 SER 51 HB2 SER 51 -8.913 7.711 -9.365 428 HG SER 51 HG SER 51 -8.038 9.277 -10.798 429 H ILE 52 H ILE 52 -8.373 5.744 -8.319 430 HA ILE 52 HA ILE 52 -5.728 4.728 -8.505 431 HB ILE 52 HB ILE 52 -5.938 4.050 -6.224 432 HG12 ILE 52 HG13 ILE 52 -8.128 4.620 -4.976 433 HG13 ILE 52 HG12 ILE 52 -8.909 4.412 -6.561 434 HG21 ILE 52 HG21 ILE 52 -6.525 6.240 -5.216 435 HG22 ILE 52 HG22 ILE 52 -5.608 6.439 -6.724 436 HG23 ILE 52 HG23 ILE 52 -7.369 6.692 -6.712 437 HD11 ILE 52 HD11 ILE 52 -9.024 2.326 -5.231 438 HD12 ILE 52 HD12 ILE 52 -8.036 2.108 -6.691 439 HD13 ILE 52 HD13 ILE 52 -7.252 2.317 -5.106 440 H ASP 53 H ASP 53 -8.647 3.254 -9.417 441 HA ASP 53 HA ASP 53 -7.624 0.532 -9.192 442 HB2 ASP 53 HB1 ASP 53 -10.214 1.783 -10.058 443 HB3 ASP 53 HB2 ASP 53 -9.859 0.078 -10.415 444 H ASP 54 H ASP 54 -7.567 3.060 -11.805 445 HA ASP 54 HA ASP 54 -6.220 1.075 -13.436 446 HB2 ASP 54 HB1 ASP 54 -6.838 3.240 -14.486 447 HB3 ASP 54 HB2 ASP 54 -5.628 4.052 -13.469 448 H LEU 55 H LEU 55 -5.160 3.235 -10.685 449 HA LEU 55 HA LEU 55 -2.414 2.609 -11.015 450 HB2 LEU 55 HB1 LEU 55 -3.798 3.208 -8.399 451 HB3 LEU 55 HB2 LEU 55 -2.047 3.252 -8.712 452 HG LEU 55 HG LEU 55 -4.140 5.041 -9.978 453 HD11 LEU 55 HD11 LEU 55 -3.090 6.818 -8.608 454 HD12 LEU 55 HD12 LEU 55 -3.732 5.509 -7.589 455 HD13 LEU 55 HD13 LEU 55 -1.984 5.616 -7.903 456 HD21 LEU 55 HD21 LEU 55 -2.248 6.334 -10.908 457 HD22 LEU 55 HD22 LEU 55 -1.112 5.139 -10.245 458 HD23 LEU 55 HD23 LEU 55 -2.260 4.667 -11.521 459 H MET 56 H MET 56 -4.900 0.848 -9.090 460 HA MET 56 HA MET 56 -3.358 -1.380 -8.327 461 HB2 MET 56 HB1 MET 56 -6.292 -1.123 -9.078 462 HB3 MET 56 HB2 MET 56 -5.579 -2.583 -8.351 463 HG2 MET 56 HG1 MET 56 -5.395 0.145 -7.057 464 HG3 MET 56 HG2 MET 56 -6.759 -0.948 -6.779 465 HE1 MET 56 HE1 MET 56 -5.802 -3.124 -4.092 466 HE2 MET 56 HE2 MET 56 -6.875 -1.790 -4.594 467 HE3 MET 56 HE3 MET 56 -6.655 -3.202 -5.657 468 H LYS 57 H LYS 57 -5.309 -0.983 -11.412 469 HA LYS 57 HA LYS 57 -4.264 -3.482 -12.409 470 HB2 LYS 57 HB1 LYS 57 -6.450 -2.596 -13.053 471 HB3 LYS 57 HB2 LYS 57 -5.651 -1.252 -13.905 472 HG2 LYS 57 HG1 LYS 57 -6.497 -3.193 -15.329 473 HG3 LYS 57 HG2 LYS 57 -4.817 -2.668 -15.596 474 HD2 LYS 57 HD1 LYS 57 -4.013 -4.566 -14.234 475 HD3 LYS 57 HD2 LYS 57 -5.694 -5.094 -13.984 476 HE2 LYS 57 HE1 LYS 57 -5.973 -5.646 -16.285 477 HE3 LYS 57 HE2 LYS 57 -4.502 -4.766 -16.755 478 HZ1 LYS 57 HZ1 LYS 57 -4.149 -7.132 -16.717 479 HZ2 LYS 57 HZ2 LYS 57 -3.220 -6.404 -15.567 480 HZ3 LYS 57 HZ3 LYS 57 -4.584 -7.220 -15.130 481 H SER 58 H SER 58 -2.863 -0.393 -12.231 482 HA SER 58 HA SER 58 -0.853 -0.780 -14.266 483 HB2 SER 58 HB1 SER 58 -1.428 1.409 -12.320 484 HB3 SER 58 HB2 SER 58 0.186 1.287 -13.062 485 HG SER 58 HG SER 58 -1.289 2.519 -14.343 486 H LEU 59 H LEU 59 -1.086 -1.428 -10.756 487 HA LEU 59 HA LEU 59 1.529 -2.588 -10.585 488 HB2 LEU 59 HB1 LEU 59 -1.022 -3.426 -9.169 489 HB3 LEU 59 HB2 LEU 59 0.642 -3.839 -8.695 490 HG LEU 59 HG LEU 59 -0.601 -1.070 -8.650 491 HD11 LEU 59 HD11 LEU 59 -0.452 -1.344 -6.199 492 HD12 LEU 59 HD12 LEU 59 -1.472 -2.608 -6.931 493 HD13 LEU 59 HD13 LEU 59 0.190 -2.991 -6.421 494 HD21 LEU 59 HD21 LEU 59 1.476 -0.358 -7.522 495 HD22 LEU 59 HD22 LEU 59 2.159 -1.983 -7.751 496 HD23 LEU 59 HD23 LEU 59 1.804 -0.959 -9.163 497 H ASP 60 H ASP 60 -1.673 -4.085 -11.246 498 HA ASP 60 HA ASP 60 -0.553 -6.568 -12.175 499 HB2 ASP 60 HB1 ASP 60 -2.663 -6.384 -10.952 500 HB3 ASP 60 HB2 ASP 60 -3.382 -5.519 -12.327 501 H LYS 61 H LYS 61 -0.101 -3.812 -13.759 502 HA LYS 61 HA LYS 61 -0.892 -4.558 -16.484 503 HB2 LYS 61 HB1 LYS 61 -0.157 -2.228 -15.164 504 HB3 LYS 61 HB2 LYS 61 1.265 -2.596 -16.168 505 HG2 LYS 61 HG1 LYS 61 -0.025 -0.971 -17.271 506 HG3 LYS 61 HG2 LYS 61 -0.161 -2.503 -18.167 507 HD2 LYS 61 HD1 LYS 61 -2.224 -1.494 -18.368 508 HD3 LYS 61 HD2 LYS 61 -2.440 -2.761 -17.137 509 HE2 LYS 61 HE1 LYS 61 -3.764 -1.043 -16.380 510 HE3 LYS 61 HE2 LYS 61 -2.277 -0.871 -15.422 511 HZ1 LYS 61 HZ1 LYS 61 -3.136 1.248 -16.115 512 HZ2 LYS 61 HZ2 LYS 61 -1.672 0.966 -16.807 513 HZ3 LYS 61 HZ3 LYS 61 -3.053 0.807 -17.696 514 H ASN 62 H ASN 62 2.072 -4.448 -14.537 515 HA ASN 62 HA ASN 62 3.520 -6.268 -16.389 516 HB2 ASN 62 HB1 ASN 62 4.288 -4.097 -14.456 517 HB3 ASN 62 HB2 ASN 62 5.434 -5.426 -14.733 518 HD21 ASN 62 HD21 ASN 62 6.482 -5.606 -16.730 519 HD22 ASN 62 HD22 ASN 62 6.338 -4.403 -17.997 520 H SER 63 H SER 63 3.218 -5.727 -12.798 521 HA SER 63 HA SER 63 2.030 -6.957 -11.340 522 HB2 SER 63 HB1 SER 63 0.608 -7.673 -13.267 523 HB3 SER 63 HB2 SER 63 1.684 -9.072 -13.497 524 HG SER 63 HG SER 63 -0.102 -9.539 -12.135 525 H ASP 64 H ASP 64 4.089 -9.114 -13.259 526 HA ASP 64 HA ASP 64 4.231 -11.047 -11.008 527 HB2 ASP 64 HB1 ASP 64 3.971 -11.497 -13.995 528 HB3 ASP 64 HB2 ASP 64 4.185 -12.772 -12.775 529 H GLN 65 H GLN 65 5.743 -8.886 -11.237 530 HA GLN 65 HA GLN 65 8.512 -9.862 -11.407 531 HB2 GLN 65 HB1 GLN 65 8.706 -7.159 -11.891 532 HB3 GLN 65 HB2 GLN 65 8.924 -8.446 -13.101 533 HG2 GLN 65 HG1 GLN 65 6.166 -7.411 -12.769 534 HG3 GLN 65 HG2 GLN 65 7.361 -6.281 -13.443 535 HE21 GLN 65 HE12 GLN 65 7.038 -9.876 -13.994 536 HE22 GLN 65 HE22 GLN 65 6.850 -9.710 -15.722 537 H GLU 66 H GLU 66 9.870 -8.422 -10.018 538 HA GLU 66 HA GLU 66 8.452 -8.044 -7.530 539 HB2 GLU 66 HB1 GLU 66 11.384 -7.772 -8.229 540 HB3 GLU 66 HB2 GLU 66 10.718 -7.590 -6.590 541 HG2 GLU 66 HG1 GLU 66 9.877 -9.897 -6.648 542 HG3 GLU 66 HG2 GLU 66 10.458 -10.087 -8.317 543 H ILE 67 H ILE 67 8.098 -6.346 -6.387 544 HA ILE 67 HA ILE 67 9.268 -3.680 -6.985 545 HB ILE 67 HB ILE 67 7.224 -2.966 -5.455 546 HG12 ILE 67 HG13 ILE 67 5.928 -5.279 -6.893 547 HG13 ILE 67 HG12 ILE 67 6.514 -5.387 -5.214 548 HG21 ILE 67 HG21 ILE 67 5.913 -2.379 -7.437 549 HG22 ILE 67 HG22 ILE 67 7.650 -2.090 -7.681 550 HG23 ILE 67 HG23 ILE 67 6.874 -3.517 -8.408 551 HD11 ILE 67 HD11 ILE 67 4.102 -4.897 -5.287 552 HD12 ILE 67 HD12 ILE 67 5.018 -3.553 -4.573 553 HD13 ILE 67 HD13 ILE 67 4.433 -3.443 -6.251 554 H ASP 68 H ASP 68 9.642 -2.424 -5.054 555 HA ASP 68 HA ASP 68 10.248 -3.992 -2.629 556 HB2 ASP 68 HB1 ASP 68 11.918 -2.419 -2.165 557 HB3 ASP 68 HB2 ASP 68 11.984 -2.620 -3.930 558 H PHE 69 H PHE 69 10.277 -2.587 -0.615 559 HA PHE 69 HA PHE 69 7.776 -1.813 0.324 560 HB2 PHE 69 HB1 PHE 69 9.255 -0.625 2.086 561 HB3 PHE 69 HB2 PHE 69 9.423 -2.377 1.879 562 HD1 PHE 69 HD2 PHE 69 10.994 0.912 1.000 563 HD2 PHE 69 HD1 PHE 69 11.521 -3.351 1.306 564 HE1 PHE 69 HE2 PHE 69 13.399 1.168 0.443 565 HE2 PHE 69 HE1 PHE 69 13.921 -3.094 0.725 566 HZ PHE 69 HZ PHE 69 14.862 -0.835 0.284 567 H LYS 70 H LYS 70 9.895 0.137 -1.711 568 HA LYS 70 HA LYS 70 8.840 2.695 -0.739 569 HB2 LYS 70 HB1 LYS 70 11.208 1.996 -1.575 570 HB3 LYS 70 HB2 LYS 70 10.509 2.229 -3.196 571 HG2 LYS 70 HG1 LYS 70 10.153 4.559 -2.796 572 HG3 LYS 70 HG2 LYS 70 10.526 4.386 -1.065 573 HD2 LYS 70 HD1 LYS 70 12.838 3.557 -1.715 574 HD3 LYS 70 HD2 LYS 70 12.445 3.938 -3.409 575 HE2 LYS 70 HE1 LYS 70 12.099 6.272 -2.864 576 HE3 LYS 70 HE2 LYS 70 12.287 5.938 -1.128 577 HZ1 LYS 70 HZ1 LYS 70 14.273 6.884 -2.072 578 HZ2 LYS 70 HZ2 LYS 70 14.565 5.348 -1.554 579 HZ3 LYS 70 HZ3 LYS 70 14.392 5.658 -3.165 580 H GLU 71 H GLU 71 8.646 0.784 -3.801 581 HA GLU 71 HA GLU 71 6.624 2.285 -5.098 582 HB2 GLU 71 HB1 GLU 71 7.484 -0.613 -5.114 583 HB3 GLU 71 HB2 GLU 71 6.062 -0.087 -6.046 584 HG2 GLU 71 HG1 GLU 71 8.340 1.684 -6.501 585 HG3 GLU 71 HG2 GLU 71 8.757 -0.004 -6.865 586 H TYR 72 H TYR 72 6.453 -0.252 -2.583 587 HA TYR 72 HA TYR 72 3.613 -0.356 -2.330 588 HB2 TYR 72 HB1 TYR 72 4.691 -2.090 -1.332 589 HB3 TYR 72 HB2 TYR 72 6.016 -1.078 -0.733 590 HD1 TYR 72 HD1 TYR 72 2.330 -1.693 -0.051 591 HD2 TYR 72 HD2 TYR 72 6.197 -0.695 1.540 592 HE1 TYR 72 HE1 TYR 72 1.431 -1.897 2.254 593 HE2 TYR 72 HE2 TYR 72 5.300 -0.851 3.841 594 HH TYR 72 HH TYR 72 3.518 -1.387 5.152 595 H SER 73 H SER 73 5.997 1.709 -0.592 596 HA SER 73 HA SER 73 4.072 3.006 1.066 597 HB2 SER 73 HB1 SER 73 6.475 2.777 1.571 598 HB3 SER 73 HB2 SER 73 6.855 3.885 0.230 599 HG SER 73 HG SER 73 6.759 4.946 2.262 600 H VAL 74 H VAL 74 5.597 4.177 -2.062 601 HA VAL 74 HA VAL 74 4.177 6.631 -2.012 602 HB VAL 74 HB VAL 74 4.429 6.806 -4.416 603 HG11 VAL 74 HG11 VAL 74 6.885 6.908 -4.487 604 HG12 VAL 74 HG12 VAL 74 6.236 7.510 -2.946 605 HG13 VAL 74 HG13 VAL 74 6.959 5.885 -3.036 606 HG21 VAL 74 HG21 VAL 74 5.666 5.175 -5.780 607 HG22 VAL 74 HG22 VAL 74 5.698 4.063 -4.398 608 HG23 VAL 74 HG23 VAL 74 4.149 4.507 -5.152 609 H PHE 75 H PHE 75 3.140 3.404 -3.022 610 HA PHE 75 HA PHE 75 0.738 4.336 -4.354 611 HB2 PHE 75 HB1 PHE 75 2.097 2.259 -4.867 612 HB3 PHE 75 HB2 PHE 75 1.432 1.553 -3.383 613 HD1 PHE 75 HD1 PHE 75 -1.114 1.342 -3.174 614 HD2 PHE 75 HD2 PHE 75 0.867 2.252 -6.886 615 HE1 PHE 75 HE1 PHE 75 -3.158 0.685 -4.432 616 HE2 PHE 75 HE2 PHE 75 -1.086 1.376 -8.135 617 HZ PHE 75 HZ PHE 75 -3.127 0.661 -6.915 618 H LEU 76 H LEU 76 1.419 2.782 -1.145 619 HA LEU 76 HA LEU 76 -1.244 2.849 -0.179 620 HB2 LEU 76 HB1 LEU 76 1.491 2.585 0.933 621 HB3 LEU 76 HB2 LEU 76 0.265 3.185 2.075 622 HG LEU 76 HG LEU 76 0.629 0.728 2.146 623 HD11 LEU 76 HD11 LEU 76 -1.779 0.150 2.217 624 HD12 LEU 76 HD12 LEU 76 -1.473 1.756 2.917 625 HD13 LEU 76 HD13 LEU 76 -2.152 1.613 1.278 626 HD21 LEU 76 HD21 LEU 76 -0.338 -0.736 0.403 627 HD22 LEU 76 HD22 LEU 76 -0.689 0.692 -0.590 628 HD23 LEU 76 HD23 LEU 76 0.997 0.245 -0.234 629 H THR 77 H THR 77 1.329 5.334 -0.049 630 HA THR 77 HA THR 77 -0.166 7.344 1.314 631 HB THR 77 HB THR 77 2.075 7.589 -0.726 632 HG1 THR 77 HG1 THR 77 3.288 7.685 1.225 633 HG21 THR 77 HG21 THR 77 2.537 9.757 0.390 634 HG22 THR 77 HG22 THR 77 0.917 9.748 -0.343 635 HG23 THR 77 HG23 THR 77 1.101 9.532 1.413 636 H MET 78 H MET 78 0.076 6.509 -2.164 637 HA MET 78 HA MET 78 -1.442 8.734 -3.116 638 HB2 MET 78 HB1 MET 78 0.148 7.151 -4.347 639 HB3 MET 78 HB2 MET 78 -1.229 6.027 -4.436 640 HG2 MET 78 HG1 MET 78 -2.212 7.175 -6.088 641 HG3 MET 78 HG2 MET 78 -1.892 8.740 -5.321 642 HE1 MET 78 HE1 MET 78 1.440 6.514 -7.733 643 HE2 MET 78 HE2 MET 78 1.004 6.154 -6.047 644 HE3 MET 78 HE3 MET 78 -0.131 5.769 -7.363 645 H LEU 79 H LEU 79 -2.445 5.429 -2.159 646 HA LEU 79 HA LEU 79 -5.202 5.720 -2.867 647 HB2 LEU 79 HB1 LEU 79 -3.720 3.638 -2.251 648 HB3 LEU 79 HB2 LEU 79 -4.265 3.996 -0.595 649 HG LEU 79 HG LEU 79 -5.954 2.645 -1.004 650 HD11 LEU 79 HD11 LEU 79 -7.960 3.371 -2.249 651 HD12 LEU 79 HD12 LEU 79 -7.291 4.673 -1.251 652 HD13 LEU 79 HD13 LEU 79 -7.005 4.658 -3.007 653 HD21 LEU 79 HD21 LEU 79 -6.458 1.666 -3.222 654 HD22 LEU 79 HD22 LEU 79 -5.426 2.893 -3.989 655 HD23 LEU 79 HD23 LEU 79 -4.711 1.684 -2.896 656 H CYS 80 H CYS 80 -3.500 6.137 0.308 657 HA CYS 80 HA CYS 80 -5.659 7.098 1.808 658 HB2 CYS 80 HB1 CYS 80 -3.371 6.520 2.634 659 HB3 CYS 80 HB2 CYS 80 -2.758 8.025 1.908 660 HG CYS 80 HG CYS 80 -2.996 8.321 4.499 661 H MET 81 H MET 81 -3.509 8.974 -0.411 662 HA MET 81 HA MET 81 -4.716 11.484 0.262 663 HB2 MET 81 HB1 MET 81 -2.384 10.954 -0.763 664 HB3 MET 81 HB2 MET 81 -3.246 10.983 -2.319 665 HG2 MET 81 HG1 MET 81 -2.351 13.196 -1.873 666 HG3 MET 81 HG2 MET 81 -4.117 13.248 -1.759 667 HE1 MET 81 HE1 MET 81 -1.037 14.330 1.396 668 HE2 MET 81 HE2 MET 81 -0.764 12.948 0.309 669 HE3 MET 81 HE3 MET 81 -1.023 14.575 -0.367 670 H ALA 82 H ALA 82 -5.658 8.960 -1.970 671 HA ALA 82 HA ALA 82 -7.298 10.575 -3.667 672 HB1 ALA 82 HB1 ALA 82 -8.128 8.406 -4.490 673 HB2 ALA 82 HB2 ALA 82 -6.355 8.419 -4.348 674 HB3 ALA 82 HB3 ALA 82 -7.340 7.588 -3.121 675 H TYR 83 H TYR 83 -7.815 9.789 -0.419 676 HA TYR 83 HA TYR 83 -10.618 10.669 -0.694 677 HB2 TYR 83 HB1 TYR 83 -11.307 9.019 1.039 678 HB3 TYR 83 HB2 TYR 83 -10.867 8.342 -0.539 679 HD1 TYR 83 HD2 TYR 83 -9.171 9.108 2.733 680 HD2 TYR 83 HD1 TYR 83 -9.730 6.283 -0.477 681 HE1 TYR 83 HE2 TYR 83 -7.678 7.510 3.891 682 HE2 TYR 83 HE1 TYR 83 -8.364 4.615 0.765 683 HH TYR 83 HH TYR 83 -6.764 5.421 3.891 684 H ASN 84 H ASN 84 -7.865 11.771 0.260 685 HA ASN 84 HA ASN 84 -8.360 12.474 3.040 686 HB2 ASN 84 HB1 ASN 84 -6.137 12.817 1.080 687 HB3 ASN 84 HB2 ASN 84 -6.231 13.977 2.422 688 HD21 ASN 84 HD21 ASN 84 -3.976 12.541 2.332 689 HD22 ASN 84 HD22 ASN 84 -3.959 11.304 3.578 690 H ASP 85 H ASP 85 -9.688 13.775 0.264 691 HA ASP 85 HA ASP 85 -9.126 16.535 0.565 692 HB2 ASP 85 HB1 ASP 85 -11.065 16.816 -0.994 693 HB3 ASP 85 HB2 ASP 85 -9.838 15.654 -1.546 694 H PHE 86 H PHE 86 -11.384 14.540 2.275 695 HA PHE 86 HA PHE 86 -13.120 16.500 3.333 696 HB2 PHE 86 HB1 PHE 86 -12.129 13.793 4.234 697 HB3 PHE 86 HB2 PHE 86 -13.238 14.742 5.239 698 HD1 PHE 86 HD1 PHE 86 -12.874 13.244 1.800 699 HD2 PHE 86 HD2 PHE 86 -15.559 14.722 4.828 700 HE1 PHE 86 HE1 PHE 86 -14.817 12.520 0.438 701 HE2 PHE 86 HE2 PHE 86 -17.499 13.943 3.488 702 HZ PHE 86 HZ PHE 86 -17.132 12.859 1.280 703 H PHE 87 H PHE 87 -9.725 16.317 3.830 704 HA PHE 87 HA PHE 87 -9.915 17.913 6.309 705 HB2 PHE 87 HB1 PHE 87 -7.472 16.879 4.837 706 HB3 PHE 87 HB2 PHE 87 -7.498 17.637 6.437 707 HD1 PHE 87 HD2 PHE 87 -9.497 16.282 7.979 708 HD2 PHE 87 HD1 PHE 87 -6.879 14.676 4.958 709 HE1 PHE 87 HE2 PHE 87 -9.629 14.041 9.048 710 HE2 PHE 87 HE1 PHE 87 -7.005 12.441 6.032 711 HZ PHE 87 HZ PHE 87 -8.380 12.120 8.078 712 H LEU 88 H LEU 88 -10.242 18.787 3.099 713 HA LEU 88 HA LEU 88 -8.097 20.839 3.132 714 HB2 LEU 88 HB1 LEU 88 -9.230 19.150 0.919 715 HB3 LEU 88 HB2 LEU 88 -8.317 20.641 0.585 716 HG LEU 88 HG LEU 88 -6.964 18.633 0.337 717 HD11 LEU 88 HD11 LEU 88 -5.018 19.341 1.699 718 HD12 LEU 88 HD12 LEU 88 -5.869 20.736 1.002 719 HD13 LEU 88 HD13 LEU 88 -6.097 20.319 2.717 720 HD21 LEU 88 HD21 LEU 88 -6.232 17.288 2.273 721 HD22 LEU 88 HD22 LEU 88 -7.339 18.203 3.315 722 HD23 LEU 88 HD23 LEU 88 -7.984 17.169 2.017 723 H GLU 89 H GLU 89 -9.851 21.556 0.455 724 HA GLU 89 HA GLU 89 -11.512 23.652 1.677 725 HB2 GLU 89 HB1 GLU 89 -9.002 24.185 0.031 726 HB3 GLU 89 HB2 GLU 89 -10.222 25.415 0.439 727 HG2 GLU 89 HG1 GLU 89 -8.858 25.925 2.134 728 HG3 GLU 89 HG2 GLU 89 -9.531 24.478 2.917 729 H ASP 90 H ASP 90 -11.045 21.462 -0.748 730 HA ASP 90 HA ASP 90 -11.656 21.037 -2.856 731 HB2 ASP 90 HB1 ASP 90 -13.883 21.815 -1.972 732 HB3 ASP 90 HB2 ASP 90 -13.568 23.368 -2.779 733 H ASN 91 H ASN 91 -9.260 22.204 -2.684 734 HA ASN 91 HA ASN 91 -8.953 23.874 -5.031 735 HB2 ASN 91 HB1 ASN 91 -9.921 25.386 -3.208 736 HB3 ASN 91 HB2 ASN 91 -8.387 25.172 -2.337 737 HD21 ASN 91 HD21 ASN 91 -9.570 26.033 -5.623 738 HD22 ASN 91 HD22 ASN 91 -8.398 27.310 -5.887 739 H LYS 92 H LYS 92 -7.450 22.215 -2.314 740 HA LYS 92 HA LYS 92 -4.737 22.267 -3.250 741 HB2 LYS 92 HB1 LYS 92 -3.830 23.877 -1.614 742 HB3 LYS 92 HB2 LYS 92 -4.970 24.661 -2.734 743 HG2 LYS 92 HG1 LYS 92 -6.747 24.023 -0.842 744 HG3 LYS 92 HG2 LYS 92 -5.302 24.013 0.197 745 HD2 LYS 92 HD1 LYS 92 -5.867 26.320 -1.670 746 HD3 LYS 92 HD2 LYS 92 -6.617 26.234 -0.058 747 HE2 LYS 92 HE1 LYS 92 -3.623 25.929 -0.472 748 HE3 LYS 92 HE2 LYS 92 -4.388 27.516 -0.234 749 HZ1 LYS 92 HZ1 LYS 92 -3.623 26.581 1.826 750 HZ2 LYS 92 HZ2 LYS 92 -5.267 26.709 1.842 751 HZ3 LYS 92 HZ3 LYS 92 -4.556 25.237 1.622 752 HA MET 1 HA MET 1 -8.201 2.544 11.092 753 HB2 MET 1 HB1 MET 1 -6.911 2.647 13.203 754 HB3 MET 1 HB2 MET 1 -6.990 4.130 12.223 755 HG2 MET 1 HG1 MET 1 -8.211 5.277 13.799 756 HG3 MET 1 HG2 MET 1 -8.908 3.806 14.498 757 HE1 MET 1 HE1 MET 1 -6.709 2.750 17.278 758 HE2 MET 1 HE2 MET 1 -8.374 3.071 16.734 759 HE3 MET 1 HE3 MET 1 -7.325 1.984 15.793 760 H GLU 2 H GLU 2 -9.536 0.832 10.772 761 HA GLU 2 HA GLU 2 -9.847 -0.829 13.225 762 HB2 GLU 2 HB1 GLU 2 -11.898 -0.303 11.801 763 HB3 GLU 2 HB2 GLU 2 -11.154 -1.306 10.533 764 HG2 GLU 2 HG1 GLU 2 -11.298 -3.275 11.868 765 HG3 GLU 2 HG2 GLU 2 -11.647 -2.346 13.343 766 H THR 3 H THR 3 -8.293 -0.536 10.046 767 HA THR 3 HA THR 3 -7.146 -3.234 10.307 768 HB THR 3 HB THR 3 -6.855 -3.353 8.144 769 HG1 THR 3 HG1 THR 3 -5.964 -1.684 6.859 770 HG21 THR 3 HG21 THR 3 -8.274 -1.972 6.661 771 HG22 THR 3 HG22 THR 3 -9.133 -2.452 8.136 772 HG23 THR 3 HG23 THR 3 -8.487 -0.802 7.976 773 HA PRO 4 HA PRO 4 -3.280 -1.894 12.029 774 HB2 PRO 4 HB1 PRO 4 -1.899 -3.789 10.145 775 HB3 PRO 4 HB2 PRO 4 -1.833 -3.649 11.933 776 HG2 PRO 4 HG1 PRO 4 -3.244 -5.612 10.685 777 HG3 PRO 4 HG2 PRO 4 -3.734 -4.949 12.277 778 HD2 PRO 4 HD1 PRO 4 -4.844 -4.454 9.512 779 HD3 PRO 4 HD2 PRO 4 -5.678 -4.422 11.095 780 H LEU 5 H LEU 5 -3.031 -2.408 8.404 781 HA LEU 5 HA LEU 5 -0.948 -0.451 8.182 782 HB2 LEU 5 HB1 LEU 5 -1.323 -2.317 6.630 783 HB3 LEU 5 HB2 LEU 5 -2.822 -1.536 6.074 784 HG LEU 5 HG LEU 5 -1.621 0.225 5.024 785 HD11 LEU 5 HD11 LEU 5 0.842 0.418 5.024 786 HD12 LEU 5 HD12 LEU 5 0.173 0.606 6.661 787 HD13 LEU 5 HD13 LEU 5 0.941 -0.927 6.181 788 HD21 LEU 5 HD21 LEU 5 -0.299 -1.095 3.389 789 HD22 LEU 5 HD22 LEU 5 -0.238 -2.456 4.536 790 HD23 LEU 5 HD23 LEU 5 -1.795 -1.946 3.840 791 H GLU 6 H GLU 6 -4.511 -0.197 7.624 792 HA GLU 6 HA GLU 6 -4.640 2.514 6.913 793 HB2 GLU 6 HB1 GLU 6 -6.556 0.885 7.041 794 HB3 GLU 6 HB2 GLU 6 -6.515 1.049 8.812 795 HG2 GLU 6 HG1 GLU 6 -6.598 3.683 7.921 796 HG3 GLU 6 HG2 GLU 6 -7.657 2.833 6.776 797 H LYS 7 H LYS 7 -4.355 1.041 10.211 798 HA LYS 7 HA LYS 7 -4.525 3.574 11.570 799 HB2 LYS 7 HB1 LYS 7 -5.065 1.251 12.439 800 HB3 LYS 7 HB2 LYS 7 -3.309 0.986 12.571 801 HG2 LYS 7 HG1 LYS 7 -4.532 3.397 13.870 802 HG3 LYS 7 HG2 LYS 7 -4.709 1.803 14.642 803 HD2 LYS 7 HD1 LYS 7 -2.534 1.758 15.289 804 HD3 LYS 7 HD2 LYS 7 -1.962 2.357 13.715 805 HE2 LYS 7 HE1 LYS 7 -1.462 3.995 15.453 806 HE3 LYS 7 HE2 LYS 7 -2.685 4.641 14.337 807 HZ1 LYS 7 HZ1 LYS 7 -3.232 5.105 16.618 808 HZ2 LYS 7 HZ2 LYS 7 -4.358 4.099 15.957 809 HZ3 LYS 7 HZ3 LYS 7 -3.222 3.500 16.992 810 H ALA 8 H ALA 8 -1.845 1.767 10.108 811 HA ALA 8 HA ALA 8 0.251 3.283 11.327 812 HB1 ALA 8 HB1 ALA 8 1.653 2.283 9.576 813 HB2 ALA 8 HB2 ALA 8 0.597 1.071 10.341 814 HB3 ALA 8 HB3 ALA 8 0.193 1.714 8.732 815 H LEU 9 H LEU 9 -1.266 3.567 8.030 816 HA LEU 9 HA LEU 9 -0.128 6.058 7.364 817 HB2 LEU 9 HB1 LEU 9 -2.681 4.656 6.633 818 HB3 LEU 9 HB2 LEU 9 -2.399 6.329 6.093 819 HG LEU 9 HG LEU 9 -1.888 4.854 4.317 820 HD11 LEU 9 HD11 LEU 9 0.461 5.401 3.791 821 HD12 LEU 9 HD12 LEU 9 -0.392 6.780 4.511 822 HD13 LEU 9 HD13 LEU 9 0.737 5.816 5.495 823 HD21 LEU 9 HD21 LEU 9 -0.182 3.076 4.383 824 HD22 LEU 9 HD22 LEU 9 0.070 3.396 6.110 825 HD23 LEU 9 HD23 LEU 9 -1.496 2.775 5.536 826 H THR 10 H THR 10 -3.008 5.343 9.401 827 HA THR 10 HA THR 10 -4.023 7.939 9.740 828 HB THR 10 HB THR 10 -3.887 5.737 11.821 829 HG1 THR 10 HG1 THR 10 -6.021 5.339 11.071 830 HG21 THR 10 HG21 THR 10 -5.871 6.851 12.818 831 HG22 THR 10 HG22 THR 10 -4.463 7.935 12.807 832 HG23 THR 10 HG23 THR 10 -5.754 8.136 11.596 833 H THR 11 H THR 11 -1.360 6.288 11.434 834 HA THR 11 HA THR 11 -0.862 8.270 13.411 835 HB THR 11 HB THR 11 1.119 6.288 12.267 836 HG1 THR 11 HG1 THR 11 0.242 4.937 13.927 837 HG21 THR 11 HG21 THR 11 2.023 6.279 14.580 838 HG22 THR 11 HG22 THR 11 2.080 7.909 13.877 839 HG23 THR 11 HG23 THR 11 0.810 7.488 15.051 840 H MET 12 H MET 12 0.670 7.769 10.156 841 HA MET 12 HA MET 12 2.345 10.042 10.294 842 HB2 MET 12 HB1 MET 12 1.107 8.570 7.975 843 HB3 MET 12 HB2 MET 12 2.056 10.054 7.718 844 HG2 MET 12 HG1 MET 12 3.902 8.900 9.077 845 HG3 MET 12 HG2 MET 12 2.971 7.408 8.859 846 HE1 MET 12 HE1 MET 12 3.960 6.092 5.589 847 HE2 MET 12 HE2 MET 12 4.041 5.829 7.347 848 HE3 MET 12 HE3 MET 12 2.491 6.257 6.581 849 H VAL 13 H VAL 13 -1.073 9.846 9.002 850 HA VAL 13 HA VAL 13 -1.026 12.636 8.330 851 HB VAL 13 HB VAL 13 -3.440 12.553 8.036 852 HG11 VAL 13 HG11 VAL 13 -3.471 10.953 6.150 853 HG12 VAL 13 HG12 VAL 13 -1.952 11.872 6.205 854 HG13 VAL 13 HG13 VAL 13 -1.998 10.189 6.783 855 HG21 VAL 13 HG21 VAL 13 -4.716 10.456 8.236 856 HG22 VAL 13 HG22 VAL 13 -3.288 9.665 8.937 857 HG23 VAL 13 HG23 VAL 13 -4.087 10.999 9.806 858 H THR 14 H THR 14 -1.411 11.074 11.393 859 HA THR 14 HA THR 14 -2.814 13.242 12.720 860 HB THR 14 HB THR 14 -1.157 10.978 13.880 861 HG1 THR 14 HG1 THR 14 -3.247 10.056 14.168 862 HG21 THR 14 HG21 THR 14 -2.490 11.375 15.937 863 HG22 THR 14 HG22 THR 14 -1.551 12.818 15.495 864 HG23 THR 14 HG23 THR 14 -3.294 12.747 15.143 865 H THR 15 H THR 15 0.604 12.080 12.840 866 HA THR 15 HA THR 15 1.650 14.266 14.339 867 HB THR 15 HB THR 15 3.855 13.421 13.219 868 HG1 THR 15 HG1 THR 15 3.536 11.330 12.319 869 HG21 THR 15 HG21 THR 15 3.890 11.386 14.637 870 HG22 THR 15 HG22 THR 15 3.155 12.755 15.501 871 HG23 THR 15 HG23 THR 15 2.122 11.482 14.807 872 H PHE 16 H PHE 16 1.936 13.595 10.787 873 HA PHE 16 HA PHE 16 3.261 15.909 9.999 874 HB2 PHE 16 HB1 PHE 16 2.853 13.836 8.718 875 HB3 PHE 16 HB2 PHE 16 1.151 14.296 8.535 876 HD1 PHE 16 HD2 PHE 16 0.486 16.101 7.017 877 HD2 PHE 16 HD1 PHE 16 4.573 14.784 7.272 878 HE1 PHE 16 HE2 PHE 16 0.973 17.150 4.833 879 HE2 PHE 16 HE1 PHE 16 5.028 15.750 5.032 880 HZ PHE 16 HZ PHE 16 3.246 17.028 3.841 881 H HIS 17 H HIS 17 -0.161 15.669 10.901 882 HA HIS 17 HA HIS 17 -1.028 18.107 9.697 883 HB2 HIS 17 HB1 HIS 17 -2.112 16.082 11.471 884 HB3 HIS 17 HB2 HIS 17 -2.566 17.704 12.026 885 HD1 HIS 17 HD1 HIS 17 -3.542 15.152 9.503 886 HD2 HIS 17 HD2 HIS 17 -3.847 19.301 10.054 887 HE1 HIS 17 HE1 HIS 17 -5.396 15.951 7.940 888 HE2 HIS 17 HE2 HIS 17 -5.588 18.495 8.242 889 H LYS 18 H LYS 18 0.538 17.518 12.903 890 HA LYS 18 HA LYS 18 0.210 20.062 14.085 891 HB2 LYS 18 HB1 LYS 18 1.157 18.225 15.247 892 HB3 LYS 18 HB2 LYS 18 2.435 18.022 14.025 893 HG2 LYS 18 HG1 LYS 18 2.297 20.031 16.258 894 HG3 LYS 18 HG2 LYS 18 3.414 18.658 16.070 895 HD2 LYS 18 HD1 LYS 18 4.140 20.026 13.906 896 HD3 LYS 18 HD2 LYS 18 3.491 21.385 14.854 897 HE2 LYS 18 HE1 LYS 18 5.111 21.072 16.577 898 HE3 LYS 18 HE2 LYS 18 5.622 19.508 15.908 899 HZ1 LYS 18 HZ1 LYS 18 7.170 21.256 15.362 900 HZ2 LYS 18 HZ2 LYS 18 6.467 20.676 13.989 901 HZ3 LYS 18 HZ3 LYS 18 5.990 22.129 14.610 902 H TYR 19 H TYR 19 2.417 18.955 11.564 903 HA TYR 19 HA TYR 19 4.149 21.310 11.776 904 HB2 TYR 19 HB1 TYR 19 4.237 18.771 10.103 905 HB3 TYR 19 HB2 TYR 19 5.521 19.991 10.168 906 HD1 TYR 19 HD1 TYR 19 3.667 17.471 12.117 907 HD2 TYR 19 HD2 TYR 19 7.186 19.916 12.004 908 HE1 TYR 19 HE1 TYR 19 4.451 16.394 14.206 909 HE2 TYR 19 HE2 TYR 19 8.072 18.718 13.988 910 HH TYR 19 HH TYR 19 7.642 17.176 15.646 911 H SER 20 H SER 20 2.226 19.685 9.245 912 HA SER 20 HA SER 20 2.325 21.768 7.304 913 HB2 SER 20 HB1 SER 20 0.156 19.681 7.701 914 HB3 SER 20 HB2 SER 20 0.670 20.448 6.179 915 HG SER 20 HG SER 20 1.536 18.340 6.450 916 H GLY 21 H GLY 21 0.300 21.389 10.181 917 HA2 GLY 21 HA2 GLY 21 -0.954 23.475 9.153 918 H ARG 22 H ARG 22 1.515 23.947 9.635 919 HA ARG 22 HA ARG 22 1.125 26.775 10.461 920 HB2 ARG 22 HB1 ARG 22 3.566 24.984 10.252 921 HB3 ARG 22 HB2 ARG 22 3.675 26.746 10.474 922 HG2 ARG 22 HG1 ARG 22 2.984 26.646 12.655 923 HG3 ARG 22 HG2 ARG 22 1.814 25.345 12.332 924 HD2 ARG 22 HD1 ARG 22 3.721 24.698 13.838 925 HD3 ARG 22 HD2 ARG 22 3.525 23.676 12.398 926 HE ARG 22 HE ARG 22 5.625 24.177 11.840 927 HH11 ARG 22 HH12 ARG 22 4.612 27.097 13.550 928 HH12 ARG 22 HH11 ARG 22 6.207 27.794 13.452 929 HH21 ARG 22 HH22 ARG 22 7.617 25.068 11.820 930 HH22 ARG 22 HH21 ARG 22 7.880 26.661 12.488 931 H GLU 23 H GLU 23 0.820 25.126 7.629 932 HA GLU 23 HA GLU 23 2.827 26.689 6.059 933 HB2 GLU 23 HB1 GLU 23 2.197 23.712 5.931 934 HB3 GLU 23 HB2 GLU 23 3.349 24.575 4.884 935 HG2 GLU 23 HG1 GLU 23 3.719 24.686 7.866 936 HG3 GLU 23 HG2 GLU 23 4.163 23.200 6.999 937 H GLY 24 H GLY 24 2.315 25.680 3.510 938 HA2 GLY 24 HA2 GLY 24 -0.042 26.880 3.422 939 H SER 25 H SER 25 0.325 23.919 3.007 940 HA SER 25 HA SER 25 -2.571 23.992 3.398 941 HB2 SER 25 HB1 SER 25 -2.147 23.437 0.941 942 HB3 SER 25 HB2 SER 25 -1.380 21.933 1.509 943 HG SER 25 HG SER 25 -3.616 21.667 1.029 944 H LYS 26 H LYS 26 -3.308 22.235 4.811 945 HA LYS 26 HA LYS 26 -1.334 21.110 6.512 946 HB2 LYS 26 HB1 LYS 26 -3.247 19.638 7.320 947 HB3 LYS 26 HB2 LYS 26 -3.424 21.403 7.467 948 HG2 LYS 26 HG1 LYS 26 -4.504 20.203 4.973 949 HG3 LYS 26 HG2 LYS 26 -5.347 19.760 6.478 950 HD2 LYS 26 HD1 LYS 26 -6.015 21.955 6.909 951 HD3 LYS 26 HD2 LYS 26 -4.671 22.660 5.980 952 HE2 LYS 26 HE1 LYS 26 -6.689 20.963 4.549 953 HE3 LYS 26 HE2 LYS 26 -7.147 22.615 5.013 954 HZ1 LYS 26 HZ1 LYS 26 -6.254 22.529 2.803 955 HZ2 LYS 26 HZ2 LYS 26 -5.267 23.413 3.784 956 HZ3 LYS 26 HZ3 LYS 26 -4.843 21.878 3.352 957 H LEU 27 H LEU 27 -1.877 20.127 3.350 958 HA LEU 27 HA LEU 27 -0.918 17.379 3.828 959 HB2 LEU 27 HB1 LEU 27 -1.741 18.831 1.301 960 HB3 LEU 27 HB2 LEU 27 -1.210 17.134 1.382 961 HG LEU 27 HG LEU 27 -3.729 18.340 2.557 962 HD11 LEU 27 HD11 LEU 27 -4.780 16.845 0.886 963 HD12 LEU 27 HD12 LEU 27 -3.642 17.976 0.114 964 HD13 LEU 27 HD13 LEU 27 -3.168 16.282 0.375 965 HD21 LEU 27 HD21 LEU 27 -4.406 16.068 3.255 966 HD22 LEU 27 HD22 LEU 27 -2.811 15.452 2.776 967 HD23 LEU 27 HD23 LEU 27 -2.954 16.610 4.120 968 H THR 28 H THR 28 0.557 20.371 3.580 969 HA THR 28 HA THR 28 3.065 19.160 2.585 970 HB THR 28 HB THR 28 3.593 21.360 1.485 971 HG1 THR 28 HG1 THR 28 1.759 22.654 0.980 972 HG21 THR 28 HG21 THR 28 2.256 20.966 -0.565 973 HG22 THR 28 HG22 THR 28 2.870 19.444 0.111 974 HG23 THR 28 HG23 THR 28 1.170 19.908 0.360 975 H LEU 29 H LEU 29 5.035 20.263 3.243 976 HA LEU 29 HA LEU 29 4.869 22.425 5.176 977 HB2 LEU 29 HB1 LEU 29 5.771 21.395 7.071 978 HB3 LEU 29 HB2 LEU 29 4.487 20.299 6.507 979 HG LEU 29 HG LEU 29 7.474 19.924 6.122 980 HD11 LEU 29 HD11 LEU 29 7.181 18.031 7.697 981 HD12 LEU 29 HD12 LEU 29 6.696 19.571 8.443 982 HD13 LEU 29 HD13 LEU 29 5.457 18.435 7.856 983 HD21 LEU 29 HD21 LEU 29 6.930 17.664 5.269 984 HD22 LEU 29 HD22 LEU 29 5.198 18.043 5.391 985 HD23 LEU 29 HD23 LEU 29 6.228 18.931 4.242 986 H SER 30 H SER 30 6.985 23.304 5.825 987 HA SER 30 HA SER 30 8.758 23.479 3.590 988 HB2 SER 30 HB1 SER 30 10.111 24.906 5.134 989 HB3 SER 30 HB2 SER 30 8.396 25.376 5.043 990 HG SER 30 HG SER 30 9.194 25.326 7.204 991 H ARG 31 H ARG 31 10.938 22.691 3.249 992 HA ARG 31 HA ARG 31 11.519 20.231 4.533 993 HB2 ARG 31 HB1 ARG 31 13.894 21.502 3.396 994 HB3 ARG 31 HB2 ARG 31 13.217 19.869 3.186 995 HG2 ARG 31 HG1 ARG 31 11.531 20.985 1.587 996 HG3 ARG 31 HG2 ARG 31 12.647 22.371 1.603 997 HD2 ARG 31 HD1 ARG 31 14.375 21.169 0.592 998 HD3 ARG 31 HD2 ARG 31 13.753 19.601 1.149 999 HE ARG 31 HE ARG 31 12.674 21.190 -1.118 1000 HH11 ARG 31 HH12 ARG 31 13.197 17.965 0.301 1001 HH12 ARG 31 HH11 ARG 31 12.402 17.164 -1.026 1002 HH21 ARG 31 HH22 ARG 31 11.610 20.078 -2.716 1003 HH22 ARG 31 HH21 ARG 31 11.529 18.334 -2.686 1004 H LYS 32 H LYS 32 12.227 23.429 5.675 1005 HA LYS 32 HA LYS 32 14.015 22.675 7.785 1006 HB2 LYS 32 HB1 LYS 32 12.442 24.991 6.947 1007 HB3 LYS 32 HB2 LYS 32 12.423 24.781 8.714 1008 HG2 LYS 32 HG1 LYS 32 14.222 26.270 8.063 1009 HG3 LYS 32 HG2 LYS 32 14.882 24.758 8.733 1010 HD2 LYS 32 HD1 LYS 32 15.583 24.001 6.575 1011 HD3 LYS 32 HD2 LYS 32 14.655 25.275 5.748 1012 HE2 LYS 32 HE1 LYS 32 16.058 26.997 6.913 1013 HE3 LYS 32 HE2 LYS 32 17.024 25.690 7.630 1014 HZ1 LYS 32 HZ1 LYS 32 18.053 26.586 5.676 1015 HZ2 LYS 32 HZ2 LYS 32 17.629 25.013 5.422 1016 HZ3 LYS 32 HZ3 LYS 32 16.732 26.226 4.757 1017 H GLU 33 H GLU 33 10.407 23.185 7.914 1018 HA GLU 33 HA GLU 33 10.078 22.236 10.558 1019 HB2 GLU 33 HB1 GLU 33 8.468 23.613 9.342 1020 HB3 GLU 33 HB2 GLU 33 8.165 22.280 8.202 1021 HG2 GLU 33 HG1 GLU 33 6.333 22.294 9.661 1022 HG3 GLU 33 HG2 GLU 33 7.352 20.934 10.178 1023 H LEU 34 H LEU 34 9.991 20.402 7.441 1024 HA LEU 34 HA LEU 34 9.181 17.912 8.491 1025 HB2 LEU 34 HB1 LEU 34 9.225 18.305 6.114 1026 HB3 LEU 34 HB2 LEU 34 10.976 18.622 6.142 1027 HG LEU 34 HG LEU 34 11.411 16.296 6.754 1028 HD11 LEU 34 HD11 LEU 34 9.638 14.572 6.732 1029 HD12 LEU 34 HD12 LEU 34 9.353 15.785 7.997 1030 HD13 LEU 34 HD13 LEU 34 8.422 15.840 6.482 1031 HD21 LEU 34 HD21 LEU 34 10.749 15.177 4.648 1032 HD22 LEU 34 HD22 LEU 34 9.559 16.461 4.351 1033 HD23 LEU 34 HD23 LEU 34 11.297 16.840 4.356 1034 H LYS 35 H LYS 35 12.413 19.437 8.552 1035 HA LYS 35 HA LYS 35 13.807 17.002 9.179 1036 HB2 LYS 35 HB1 LYS 35 14.916 18.889 8.156 1037 HB3 LYS 35 HB2 LYS 35 14.507 19.931 9.542 1038 HG2 LYS 35 HG1 LYS 35 15.914 18.607 11.020 1039 HG3 LYS 35 HG2 LYS 35 16.220 17.420 9.728 1040 HD2 LYS 35 HD1 LYS 35 16.946 20.359 9.478 1041 HD3 LYS 35 HD2 LYS 35 18.070 19.133 10.111 1042 HE2 LYS 35 HE1 LYS 35 17.479 17.803 7.945 1043 HE3 LYS 35 HE2 LYS 35 16.855 19.353 7.341 1044 HZ1 LYS 35 HZ1 LYS 35 19.119 18.989 6.685 1045 HZ2 LYS 35 HZ2 LYS 35 19.021 20.288 7.694 1046 HZ3 LYS 35 HZ3 LYS 35 19.600 18.850 8.255 1047 H GLU 36 H GLU 36 12.456 19.634 11.262 1048 HA GLU 36 HA GLU 36 12.987 18.392 13.734 1049 HB2 GLU 36 HB1 GLU 36 11.983 20.626 13.663 1050 HB3 GLU 36 HB2 GLU 36 10.502 19.968 12.925 1051 HG2 GLU 36 HG1 GLU 36 10.170 18.509 14.882 1052 HG3 GLU 36 HG2 GLU 36 11.655 19.152 15.618 1053 H LEU 37 H LEU 37 10.226 17.844 11.464 1054 HA LEU 37 HA LEU 37 8.681 16.238 13.138 1055 HB2 LEU 37 HB1 LEU 37 7.805 17.263 11.191 1056 HB3 LEU 37 HB2 LEU 37 8.961 16.410 10.139 1057 HG LEU 37 HG LEU 37 7.780 14.346 10.408 1058 HD11 LEU 37 HD11 LEU 37 5.607 14.128 11.567 1059 HD12 LEU 37 HD12 LEU 37 6.918 14.503 12.701 1060 HD13 LEU 37 HD13 LEU 37 5.786 15.779 12.191 1061 HD21 LEU 37 HD21 LEU 37 5.665 15.014 9.273 1062 HD22 LEU 37 HD22 LEU 37 5.883 16.680 9.856 1063 HD23 LEU 37 HD23 LEU 37 7.038 15.984 8.694 1064 H ILE 38 H ILE 38 11.031 15.040 10.668 1065 HA ILE 38 HA ILE 38 10.623 12.293 11.092 1066 HB ILE 38 HB ILE 38 13.078 13.842 10.221 1067 HG12 ILE 38 HG13 ILE 38 11.344 12.192 8.390 1068 HG13 ILE 38 HG12 ILE 38 10.796 13.810 8.890 1069 HG21 ILE 38 HG21 ILE 38 13.948 11.731 9.245 1070 HG22 ILE 38 HG22 ILE 38 13.784 11.611 11.009 1071 HG23 ILE 38 HG23 ILE 38 12.576 10.848 9.947 1072 HD11 ILE 38 HD11 ILE 38 12.040 13.912 6.748 1073 HD12 ILE 38 HD12 ILE 38 12.901 14.789 8.034 1074 HD13 ILE 38 HD13 ILE 38 13.451 13.171 7.537 1075 H LYS 39 H LYS 39 12.941 14.462 12.864 1076 HA LYS 39 HA LYS 39 13.886 12.163 14.416 1077 HB2 LYS 39 HB1 LYS 39 14.645 15.084 14.209 1078 HB3 LYS 39 HB2 LYS 39 15.385 13.985 15.397 1079 HG2 LYS 39 HG1 LYS 39 15.600 12.439 13.192 1080 HG3 LYS 39 HG2 LYS 39 15.632 14.039 12.413 1081 HD2 LYS 39 HD1 LYS 39 17.596 14.681 13.695 1082 HD3 LYS 39 HD2 LYS 39 17.517 13.178 14.644 1083 HE2 LYS 39 HE1 LYS 39 17.662 11.900 12.460 1084 HE3 LYS 39 HE2 LYS 39 17.968 13.449 11.643 1085 HZ1 LYS 39 HZ1 LYS 39 19.989 12.278 12.118 1086 HZ2 LYS 39 HZ2 LYS 39 19.933 13.686 12.971 1087 HZ3 LYS 39 HZ3 LYS 39 19.649 12.250 13.730 1088 H LYS 40 H LYS 40 11.427 14.619 14.871 1089 HA LYS 40 HA LYS 40 11.038 14.083 17.689 1090 HB2 LYS 40 HB1 LYS 40 9.203 15.032 15.460 1091 HB3 LYS 40 HB2 LYS 40 8.685 14.871 17.155 1092 HG2 LYS 40 HG1 LYS 40 11.009 16.613 16.359 1093 HG3 LYS 40 HG2 LYS 40 9.327 17.194 16.320 1094 HD2 LYS 40 HD1 LYS 40 9.050 16.699 18.692 1095 HD3 LYS 40 HD2 LYS 40 10.664 15.952 18.759 1096 HE2 LYS 40 HE1 LYS 40 11.112 18.131 19.482 1097 HE3 LYS 40 HE2 LYS 40 11.482 18.218 17.747 1098 HZ1 LYS 40 HZ1 LYS 40 10.210 20.106 18.481 1099 HZ2 LYS 40 HZ2 LYS 40 9.340 19.213 17.405 1100 HZ3 LYS 40 HZ3 LYS 40 8.995 19.132 19.016 1101 H GLU 41 H GLU 41 9.653 12.814 14.680 1102 HA GLU 41 HA GLU 41 7.797 10.992 15.788 1103 HB2 GLU 41 HB1 GLU 41 9.144 11.240 13.096 1104 HB3 GLU 41 HB2 GLU 41 8.086 9.856 13.460 1105 HG2 GLU 41 HG1 GLU 41 6.350 11.676 14.139 1106 HG3 GLU 41 HG2 GLU 41 7.383 12.772 13.196 1107 H LEU 42 H LEU 42 11.203 10.453 14.689 1108 HA LEU 42 HA LEU 42 11.006 7.705 15.845 1109 HB2 LEU 42 HB1 LEU 42 11.258 8.315 13.164 1110 HB3 LEU 42 HB2 LEU 42 12.953 8.102 13.661 1111 HG LEU 42 HG LEU 42 10.816 6.073 14.358 1112 HD11 LEU 42 HD11 LEU 42 11.486 4.784 12.354 1113 HD12 LEU 42 HD12 LEU 42 10.797 6.361 11.907 1114 HD13 LEU 42 HD13 LEU 42 12.558 6.114 11.861 1115 HD21 LEU 42 HD21 LEU 42 12.735 4.518 14.499 1116 HD22 LEU 42 HD22 LEU 42 13.834 5.836 14.038 1117 HD23 LEU 42 HD23 LEU 42 12.950 5.910 15.582 1118 H CYS 43 H CYS 43 12.341 7.404 17.507 1119 HA CYS 43 HA CYS 43 13.927 9.615 18.442 1120 HB2 CYS 43 HB1 CYS 43 13.230 6.845 19.445 1121 HB3 CYS 43 HB2 CYS 43 14.329 7.918 20.348 1122 HG CYS 43 HG CYS 43 11.944 7.976 21.427 1123 H LEU 44 H LEU 44 15.084 8.290 15.981 1124 HA LEU 44 HA LEU 44 16.745 6.149 16.656 1125 HB2 LEU 44 HB1 LEU 44 17.197 5.974 14.430 1126 HB3 LEU 44 HB2 LEU 44 15.660 6.873 14.431 1127 HG LEU 44 HG LEU 44 18.412 8.089 14.043 1128 HD11 LEU 44 HD11 LEU 44 17.694 8.326 11.676 1129 HD12 LEU 44 HD12 LEU 44 17.705 6.618 12.176 1130 HD13 LEU 44 HD13 LEU 44 16.163 7.502 12.062 1131 HD21 LEU 44 HD21 LEU 44 17.199 10.123 13.304 1132 HD22 LEU 44 HD22 LEU 44 15.655 9.335 13.691 1133 HD23 LEU 44 HD23 LEU 44 16.811 9.716 14.990 1134 H GLY 45 H GLY 45 17.572 9.510 16.961 1135 HA2 GLY 45 HA2 GLY 45 20.026 8.612 17.158 1136 H GLU 46 H GLU 46 18.173 7.811 19.174 1137 HA GLU 46 HA GLU 46 20.073 7.391 21.308 1138 HB2 GLU 46 HB1 GLU 46 18.402 6.044 22.292 1139 HB3 GLU 46 HB2 GLU 46 17.530 7.347 21.448 1140 HG2 GLU 46 HG1 GLU 46 17.332 5.666 19.489 1141 HG3 GLU 46 HG2 GLU 46 17.789 4.433 20.685 1142 H MET 47 H MET 47 19.993 6.029 18.159 1143 HA MET 47 HA MET 47 21.968 4.086 18.824 1144 HB2 MET 47 HB1 MET 47 20.707 2.067 17.984 1145 HB3 MET 47 HB2 MET 47 20.411 2.651 19.639 1146 HG2 MET 47 HG1 MET 47 18.285 2.264 19.106 1147 HG3 MET 47 HG2 MET 47 18.396 3.880 18.387 1148 HE1 MET 47 HE1 MET 47 17.151 3.527 15.024 1149 HE2 MET 47 HE2 MET 47 16.767 4.135 16.653 1150 HE3 MET 47 HE3 MET 47 18.369 4.449 15.941 1151 H LYS 48 H LYS 48 19.941 3.286 16.094 1152 HA LYS 48 HA LYS 48 22.173 3.490 14.311 1153 HB2 LYS 48 HB1 LYS 48 19.256 2.765 13.931 1154 HB3 LYS 48 HB2 LYS 48 20.485 2.647 12.648 1155 HG2 LYS 48 HG1 LYS 48 21.873 1.262 14.306 1156 HG3 LYS 48 HG2 LYS 48 20.412 1.186 15.318 1157 HD2 LYS 48 HD1 LYS 48 20.563 0.210 12.459 1158 HD3 LYS 48 HD2 LYS 48 20.806 -0.822 13.888 1159 HE2 LYS 48 HE1 LYS 48 18.490 -0.270 14.635 1160 HE3 LYS 48 HE2 LYS 48 18.259 0.670 13.145 1161 HZ1 LYS 48 HZ1 LYS 48 17.401 -1.556 12.936 1162 HZ2 LYS 48 HZ2 LYS 48 18.662 -1.336 11.895 1163 HZ3 LYS 48 HZ3 LYS 48 18.878 -2.208 13.279 1164 H GLU 49 H GLU 49 22.519 5.774 14.800 1165 HA GLU 49 HA GLU 49 21.051 7.777 13.177 1166 HB2 GLU 49 HB1 GLU 49 21.280 8.090 15.607 1167 HB3 GLU 49 HB2 GLU 49 23.045 7.913 15.472 1168 HG2 GLU 49 HG1 GLU 49 22.311 10.239 15.850 1169 HG3 GLU 49 HG2 GLU 49 23.231 10.028 14.345 1170 H SER 50 H SER 50 22.337 9.352 12.040 1171 HA SER 50 HA SER 50 23.966 10.331 10.905 1172 HB2 SER 50 HB1 SER 50 26.229 9.972 11.218 1173 HB3 SER 50 HB2 SER 50 25.484 9.510 12.768 1174 HG SER 50 HG SER 50 27.048 7.995 12.045 1175 H SER 51 H SER 51 25.318 10.124 8.891 1176 HA SER 51 HA SER 51 25.515 9.566 6.710 1177 HB2 SER 51 HB1 SER 51 26.306 7.355 7.551 1178 HB3 SER 51 HB2 SER 51 24.634 6.752 7.440 1179 HG SER 51 HG SER 51 25.881 6.274 5.567 1180 H ILE 52 H ILE 52 22.536 7.931 7.968 1181 HA ILE 52 HA ILE 52 20.766 8.659 5.914 1182 HB ILE 52 HB ILE 52 19.020 8.462 7.562 1183 HG12 ILE 52 HG13 ILE 52 19.845 7.764 9.988 1184 HG13 ILE 52 HG12 ILE 52 21.164 8.894 9.598 1185 HG21 ILE 52 HG21 ILE 52 19.514 6.165 8.356 1186 HG22 ILE 52 HG22 ILE 52 20.088 6.419 6.692 1187 HG23 ILE 52 HG23 ILE 52 21.244 6.437 8.046 1188 HD11 ILE 52 HD11 ILE 52 19.347 10.040 10.834 1189 HD12 ILE 52 HD12 ILE 52 19.513 10.682 9.187 1190 HD13 ILE 52 HD13 ILE 52 18.192 9.552 9.575 1191 H ASP 53 H ASP 53 22.274 10.664 8.399 1192 HA ASP 53 HA ASP 53 20.600 12.946 7.920 1193 HB2 ASP 53 HB1 ASP 53 22.846 12.296 9.682 1194 HB3 ASP 53 HB2 ASP 53 22.871 13.973 9.095 1195 H ASP 54 H ASP 54 23.038 11.602 5.904 1196 HA ASP 54 HA ASP 54 23.543 14.125 4.582 1197 HB2 ASP 54 HB1 ASP 54 24.918 11.950 4.362 1198 HB3 ASP 54 HB2 ASP 54 23.689 11.465 3.173 1199 H LEU 55 H LEU 55 20.945 11.666 4.325 1200 HA LEU 55 HA LEU 55 19.534 12.916 2.187 1201 HB2 LEU 55 HB1 LEU 55 18.285 11.555 4.584 1202 HB3 LEU 55 HB2 LEU 55 17.585 11.775 2.961 1203 HG LEU 55 HG LEU 55 19.942 9.990 3.629 1204 HD11 LEU 55 HD11 LEU 55 18.339 8.131 3.285 1205 HD12 LEU 55 HD12 LEU 55 17.827 9.188 4.621 1206 HD13 LEU 55 HD13 LEU 55 17.030 9.310 3.035 1207 HD21 LEU 55 HD21 LEU 55 19.622 9.075 1.352 1208 HD22 LEU 55 HD22 LEU 55 18.329 10.259 1.062 1209 HD23 LEU 55 HD23 LEU 55 20.003 10.810 1.305 1210 H MET 56 H MET 56 19.516 13.516 5.744 1211 HA MET 56 HA MET 56 17.687 15.692 5.734 1212 HB2 MET 56 HB1 MET 56 19.973 14.951 7.595 1213 HB3 MET 56 HB2 MET 56 18.784 16.231 7.937 1214 HG2 MET 56 HG1 MET 56 18.047 13.339 7.376 1215 HG3 MET 56 HG2 MET 56 18.289 13.994 9.004 1216 HE1 MET 56 HE1 MET 56 14.921 14.821 9.978 1217 HE2 MET 56 HE2 MET 56 16.079 13.466 9.981 1218 HE3 MET 56 HE3 MET 56 16.637 15.114 10.360 1219 H LYS 57 H LYS 57 21.297 15.731 5.478 1220 HA LYS 57 HA LYS 57 21.651 18.507 5.032 1221 HB2 LYS 57 HB1 LYS 57 23.372 16.795 5.514 1222 HB3 LYS 57 HB2 LYS 57 23.127 16.120 3.884 1223 HG2 LYS 57 HG1 LYS 57 24.159 18.903 4.428 1224 HG3 LYS 57 HG2 LYS 57 25.199 17.473 4.223 1225 HD2 LYS 57 HD1 LYS 57 23.547 18.934 2.174 1226 HD3 LYS 57 HD2 LYS 57 25.290 18.579 2.174 1227 HE2 LYS 57 HE1 LYS 57 23.167 16.431 1.912 1228 HE3 LYS 57 HE2 LYS 57 23.870 17.277 0.516 1229 HZ1 LYS 57 HZ1 LYS 57 24.978 15.210 0.952 1230 HZ2 LYS 57 HZ2 LYS 57 26.013 16.469 1.187 1231 HZ3 LYS 57 HZ3 LYS 57 25.360 15.684 2.482 1232 H SER 58 H SER 58 20.550 15.929 2.842 1233 HA SER 58 HA SER 58 20.661 17.623 0.504 1234 HB2 SER 58 HB1 SER 58 19.606 14.821 0.920 1235 HB3 SER 58 HB2 SER 58 19.626 15.662 -0.650 1236 HG SER 58 HG SER 58 21.530 14.415 -0.284 1237 H LEU 59 H LEU 59 18.132 17.032 2.900 1238 HA LEU 59 HA LEU 59 16.031 18.245 1.329 1239 HB2 LEU 59 HB1 LEU 59 16.524 18.121 4.328 1240 HB3 LEU 59 HB2 LEU 59 15.029 18.720 3.569 1241 HG LEU 59 HG LEU 59 16.105 15.885 3.495 1242 HD11 LEU 59 HD11 LEU 59 14.065 15.389 4.809 1243 HD12 LEU 59 HD12 LEU 59 15.094 16.580 5.639 1244 HD13 LEU 59 HD13 LEU 59 13.629 17.113 4.782 1245 HD21 LEU 59 HD21 LEU 59 14.025 15.286 2.297 1246 HD22 LEU 59 HD22 LEU 59 13.572 17.004 2.230 1247 HD23 LEU 59 HD23 LEU 59 15.011 16.426 1.353 1248 H ASP 60 H ASP 60 18.438 19.405 3.630 1249 HA ASP 60 HA ASP 60 17.894 22.187 3.403 1250 HB2 ASP 60 HB1 ASP 60 19.535 20.393 4.933 1251 HB3 ASP 60 HB2 ASP 60 20.511 21.775 4.389 1252 H LYS 61 H LYS 61 18.927 20.447 0.851 1253 HA LYS 61 HA LYS 61 20.988 22.128 -0.215 1254 HB2 LYS 61 HB1 LYS 61 19.075 20.089 -1.280 1255 HB3 LYS 61 HB2 LYS 61 19.933 21.140 -2.433 1256 HG2 LYS 61 HG1 LYS 61 22.097 20.512 -1.424 1257 HG3 LYS 61 HG2 LYS 61 21.260 19.502 -0.222 1258 HD2 LYS 61 HD1 LYS 61 22.203 18.180 -2.110 1259 HD3 LYS 61 HD2 LYS 61 20.434 18.029 -1.974 1260 HE2 LYS 61 HE1 LYS 61 20.986 18.307 -4.308 1261 HE3 LYS 61 HE2 LYS 61 20.204 19.797 -3.739 1262 HZ1 LYS 61 HZ1 LYS 61 22.113 20.260 -5.099 1263 HZ2 LYS 61 HZ2 LYS 61 22.371 20.791 -3.560 1264 HZ3 LYS 61 HZ3 LYS 61 23.097 19.407 -4.089 1265 H ASN 62 H ASN 62 17.515 22.558 -0.086 1266 HA ASN 62 HA ASN 62 17.695 25.222 -1.282 1267 HB2 ASN 62 HB1 ASN 62 16.242 22.923 -2.587 1268 HB3 ASN 62 HB2 ASN 62 15.636 24.586 -2.759 1269 HD21 ASN 62 HD21 ASN 62 17.448 26.210 -3.437 1270 HD22 ASN 62 HD22 ASN 62 18.451 25.667 -4.770 1271 H SER 63 H SER 63 15.254 22.758 0.190 1272 HA SER 63 HA SER 63 15.488 22.753 2.418 1273 HB2 SER 63 HB1 SER 63 16.759 24.382 3.669 1274 HB3 SER 63 HB2 SER 63 17.634 23.817 2.225 1275 HG SER 63 HG SER 63 17.861 26.069 2.577 1276 H ASP 64 H ASP 64 14.236 25.864 1.242 1277 HA ASP 64 HA ASP 64 12.437 25.994 3.622 1278 HB2 ASP 64 HB1 ASP 64 13.857 28.262 2.186 1279 HB3 ASP 64 HB2 ASP 64 12.636 28.463 3.460 1280 H GLN 65 H GLN 65 12.104 24.600 1.281 1281 HA GLN 65 HA GLN 65 9.949 25.920 -0.283 1282 HB2 GLN 65 HB1 GLN 65 11.404 23.252 -0.580 1283 HB3 GLN 65 HB2 GLN 65 10.303 23.999 -1.764 1284 HG2 GLN 65 HG1 GLN 65 11.916 25.593 -2.425 1285 HG3 GLN 65 HG2 GLN 65 12.925 25.298 -0.993 1286 HE21 GLN 65 HE12 GLN 65 12.834 24.711 -4.267 1287 HE22 GLN 65 HE22 GLN 65 13.715 23.202 -4.321 1288 H GLU 66 H GLU 66 7.845 24.921 -0.191 1289 HA GLU 66 HA GLU 66 7.298 23.005 1.864 1290 HB2 GLU 66 HB1 GLU 66 5.664 23.847 -0.543 1291 HB3 GLU 66 HB2 GLU 66 5.086 22.733 0.719 1292 HG2 GLU 66 HG1 GLU 66 5.533 24.613 2.389 1293 HG3 GLU 66 HG2 GLU 66 5.746 25.681 0.985 1294 H ILE 67 H ILE 67 6.596 20.865 1.685 1295 HA ILE 67 HA ILE 67 7.075 19.389 -0.804 1296 HB ILE 67 HB ILE 67 7.839 17.568 1.162 1297 HG12 ILE 67 HG13 ILE 67 9.287 20.161 1.695 1298 HG13 ILE 67 HG12 ILE 67 8.409 19.131 2.850 1299 HG21 ILE 67 HG21 ILE 67 9.925 17.592 -0.131 1300 HG22 ILE 67 HG22 ILE 67 8.496 17.722 -1.186 1301 HG23 ILE 67 HG23 ILE 67 9.474 19.167 -0.832 1302 HD11 ILE 67 HD11 ILE 67 10.856 18.864 3.100 1303 HD12 ILE 67 HD12 ILE 67 10.093 17.358 2.550 1304 HD13 ILE 67 HD13 ILE 67 10.972 18.386 1.392 1305 H ASP 68 H ASP 68 5.860 17.625 -1.124 1306 HA ASP 68 HA ASP 68 3.411 17.293 0.437 1307 HB2 ASP 68 HB1 ASP 68 3.027 17.457 -1.866 1308 HB3 ASP 68 HB2 ASP 68 4.434 16.452 -2.276 1309 H PHE 69 H PHE 69 2.568 15.331 0.969 1310 HA PHE 69 HA PHE 69 3.824 13.565 2.598 1311 HB2 PHE 69 HB1 PHE 69 1.294 14.019 1.535 1312 HB3 PHE 69 HB2 PHE 69 1.645 12.351 1.054 1313 HD1 PHE 69 HD2 PHE 69 2.360 10.688 2.904 1314 HD2 PHE 69 HD1 PHE 69 0.593 14.529 3.725 1315 HE1 PHE 69 HE2 PHE 69 1.722 9.909 5.178 1316 HE2 PHE 69 HE1 PHE 69 -0.040 13.748 5.997 1317 HZ PHE 69 HZ PHE 69 0.534 11.445 6.726 1318 H LYS 70 H LYS 70 4.192 13.353 -0.952 1319 HA LYS 70 HA LYS 70 4.849 10.537 -0.977 1320 HB2 LYS 70 HB1 LYS 70 4.799 12.778 -2.867 1321 HB3 LYS 70 HB2 LYS 70 6.197 11.705 -3.117 1322 HG2 LYS 70 HG1 LYS 70 4.336 11.026 -4.522 1323 HG3 LYS 70 HG2 LYS 70 4.679 9.779 -3.299 1324 HD2 LYS 70 HD1 LYS 70 2.710 10.171 -2.147 1325 HD3 LYS 70 HD2 LYS 70 2.614 11.870 -2.669 1326 HE2 LYS 70 HE1 LYS 70 0.881 10.535 -3.776 1327 HE3 LYS 70 HE2 LYS 70 2.064 11.132 -4.961 1328 HZ1 LYS 70 HZ1 LYS 70 1.499 8.841 -5.347 1329 HZ2 LYS 70 HZ2 LYS 70 3.088 8.970 -4.932 1330 HZ3 LYS 70 HZ3 LYS 70 1.990 8.417 -3.832 1331 H GLU 71 H GLU 71 6.895 13.497 -1.281 1332 HA GLU 71 HA GLU 71 9.422 12.360 -0.941 1333 HB2 GLU 71 HB1 GLU 71 8.334 15.006 0.096 1334 HB3 GLU 71 HB2 GLU 71 10.056 14.553 0.142 1335 HG2 GLU 71 HG1 GLU 71 9.363 14.094 -2.507 1336 HG3 GLU 71 HG2 GLU 71 8.419 15.543 -2.095 1337 H TYR 72 H TYR 72 6.959 13.239 1.478 1338 HA TYR 72 HA TYR 72 8.566 12.808 3.794 1339 HB2 TYR 72 HB1 TYR 72 6.504 14.143 3.707 1340 HB3 TYR 72 HB2 TYR 72 5.561 12.691 3.330 1341 HD1 TYR 72 HD2 TYR 72 8.179 13.581 5.800 1342 HD2 TYR 72 HD1 TYR 72 4.269 11.906 5.186 1343 HE1 TYR 72 HE2 TYR 72 7.881 13.422 8.252 1344 HE2 TYR 72 HE1 TYR 72 4.010 11.604 7.656 1345 HH TYR 72 HH TYR 72 6.531 12.908 9.934 1346 H SER 73 H SER 73 6.031 10.707 2.348 1347 HA SER 73 HA SER 73 6.422 8.513 4.097 1348 HB2 SER 73 HB1 SER 73 5.135 7.258 2.333 1349 HB3 SER 73 HB2 SER 73 4.363 8.761 2.895 1350 HG SER 73 HG SER 73 4.340 8.549 0.606 1351 H VAL 74 H VAL 74 7.877 9.129 0.792 1352 HA VAL 74 HA VAL 74 9.241 6.618 0.868 1353 HB VAL 74 HB VAL 74 10.632 7.292 -0.905 1354 HG11 VAL 74 HG11 VAL 74 8.939 7.721 -2.626 1355 HG12 VAL 74 HG12 VAL 74 8.379 6.561 -1.405 1356 HG13 VAL 74 HG13 VAL 74 7.804 8.244 -1.366 1357 HG21 VAL 74 HG21 VAL 74 10.640 9.472 -2.024 1358 HG22 VAL 74 HG22 VAL 74 9.594 10.116 -0.746 1359 HG23 VAL 74 HG23 VAL 74 11.241 9.563 -0.359 1360 H PHE 75 H PHE 75 10.131 9.824 2.155 1361 HA PHE 75 HA PHE 75 12.873 9.140 2.682 1362 HB2 PHE 75 HB1 PHE 75 11.798 11.442 2.505 1363 HB3 PHE 75 HB2 PHE 75 11.169 11.170 4.139 1364 HD1 PHE 75 HD1 PHE 75 12.961 10.640 6.002 1365 HD2 PHE 75 HD2 PHE 75 13.841 12.458 2.201 1366 HE1 PHE 75 HE1 PHE 75 15.086 11.548 6.921 1367 HE2 PHE 75 HE2 PHE 75 15.894 13.472 3.157 1368 HZ PHE 75 HZ PHE 75 16.521 13.016 5.518 1369 H LEU 76 H LEU 76 9.944 9.178 4.857 1370 HA LEU 76 HA LEU 76 11.163 8.061 7.132 1371 HB2 LEU 76 HB1 LEU 76 8.354 7.924 6.013 1372 HB3 LEU 76 HB2 LEU 76 8.787 7.177 7.569 1373 HG LEU 76 HG LEU 76 9.039 10.136 6.913 1374 HD11 LEU 76 HD11 LEU 76 7.065 10.342 8.406 1375 HD12 LEU 76 HD12 LEU 76 6.696 9.316 6.997 1376 HD13 LEU 76 HD13 LEU 76 7.012 8.570 8.582 1377 HD21 LEU 76 HD21 LEU 76 9.380 10.408 9.356 1378 HD22 LEU 76 HD22 LEU 76 9.327 8.642 9.558 1379 HD23 LEU 76 HD23 LEU 76 10.655 9.396 8.639 1380 H THR 77 H THR 77 9.537 6.366 4.417 1381 HA THR 77 HA THR 77 9.937 3.696 5.298 1382 HB THR 77 HB THR 77 9.780 4.734 2.446 1383 HG1 THR 77 HG1 THR 77 7.544 4.314 2.757 1384 HG21 THR 77 HG21 THR 77 8.800 2.509 1.954 1385 HG22 THR 77 HG22 THR 77 10.447 2.355 2.604 1386 HG23 THR 77 HG23 THR 77 9.044 2.034 3.649 1387 H MET 78 H MET 78 11.886 5.727 3.073 1388 HA MET 78 HA MET 78 13.986 3.891 2.615 1389 HB2 MET 78 HB1 MET 78 13.587 5.845 1.249 1390 HB3 MET 78 HB2 MET 78 13.920 6.919 2.629 1391 HG2 MET 78 HG1 MET 78 16.210 6.542 2.534 1392 HG3 MET 78 HG2 MET 78 16.030 5.039 1.613 1393 HE1 MET 78 HE1 MET 78 15.267 9.267 -0.185 1394 HE2 MET 78 HE2 MET 78 14.147 8.449 0.931 1395 HE3 MET 78 HE3 MET 78 15.745 8.982 1.507 1396 H LEU 79 H LEU 79 13.536 6.240 5.291 1397 HA LEU 79 HA LEU 79 16.144 5.989 6.395 1398 HB2 LEU 79 HB1 LEU 79 13.933 7.552 6.872 1399 HB3 LEU 79 HB2 LEU 79 13.937 6.487 8.298 1400 HG LEU 79 HG LEU 79 15.157 8.468 8.846 1401 HD11 LEU 79 HD11 LEU 79 17.380 7.566 9.419 1402 HD12 LEU 79 HD12 LEU 79 16.093 6.377 9.723 1403 HD13 LEU 79 HD13 LEU 79 17.125 6.224 8.279 1404 HD21 LEU 79 HD21 LEU 79 17.101 9.253 7.546 1405 HD22 LEU 79 HD22 LEU 79 16.837 7.949 6.365 1406 HD23 LEU 79 HD23 LEU 79 15.622 9.236 6.558 1407 H CYS 80 H CYS 80 13.073 4.364 7.282 1408 HA CYS 80 HA CYS 80 14.010 2.627 9.274 1409 HB2 CYS 80 HB1 CYS 80 11.652 3.208 8.459 1410 HB3 CYS 80 HB2 CYS 80 11.908 2.004 7.170 1411 HG CYS 80 HG CYS 80 10.436 0.973 9.070 1412 H MET 81 H MET 81 13.742 1.912 5.736 1413 HA MET 81 HA MET 81 15.079 -0.606 5.987 1414 HB2 MET 81 HB1 MET 81 13.914 1.030 3.825 1415 HB3 MET 81 HB2 MET 81 15.237 -0.053 3.330 1416 HG2 MET 81 HG1 MET 81 12.961 -1.071 3.184 1417 HG3 MET 81 HG2 MET 81 14.117 -1.969 4.182 1418 HE1 MET 81 HE1 MET 81 10.713 -2.926 5.748 1419 HE2 MET 81 HE2 MET 81 11.070 -2.627 4.029 1420 HE3 MET 81 HE3 MET 81 12.242 -3.506 5.042 1421 H ALA 82 H ALA 82 16.361 2.668 5.502 1422 HA ALA 82 HA ALA 82 18.924 1.885 4.571 1423 HB1 ALA 82 HB1 ALA 82 19.655 4.128 5.299 1424 HB2 ALA 82 HB2 ALA 82 18.101 4.192 4.437 1425 HB3 ALA 82 HB3 ALA 82 18.141 4.319 6.211 1426 H TYR 83 H TYR 83 17.614 2.024 7.904 1427 HA TYR 83 HA TYR 83 20.250 1.121 8.862 1428 HB2 TYR 83 HB1 TYR 83 19.448 1.576 11.102 1429 HB3 TYR 83 HB2 TYR 83 19.400 2.986 10.032 1430 HD1 TYR 83 HD2 TYR 83 16.867 0.269 10.861 1431 HD2 TYR 83 HD1 TYR 83 17.854 4.454 10.766 1432 HE1 TYR 83 HE2 TYR 83 14.600 0.816 11.700 1433 HE2 TYR 83 HE1 TYR 83 15.606 5.010 11.650 1434 HH TYR 83 HH TYR 83 13.153 2.469 12.338 1435 H ASN 84 H ASN 84 17.534 -0.521 7.747 1436 HA ASN 84 HA ASN 84 17.225 -2.276 10.018 1437 HB2 ASN 84 HB1 ASN 84 15.916 -2.048 7.344 1438 HB3 ASN 84 HB2 ASN 84 15.739 -3.558 8.265 1439 HD21 ASN 84 HD21 ASN 84 13.639 -1.644 7.588 1440 HD22 ASN 84 HD22 ASN 84 12.971 -1.091 9.113 1441 H ASP 85 H ASP 85 17.048 -4.676 9.681 1442 HA ASP 85 HA ASP 85 19.563 -5.815 8.775 1443 HB2 ASP 85 HB1 ASP 85 20.224 -6.126 11.287 1444 HB3 ASP 85 HB2 ASP 85 20.636 -4.626 10.430 1445 H PHE 86 H PHE 86 16.842 -6.070 11.157 1446 HA PHE 86 HA PHE 86 16.901 -8.876 11.451 1447 HB2 PHE 86 HB1 PHE 86 14.687 -6.826 11.688 1448 HB3 PHE 86 HB2 PHE 86 14.436 -8.541 12.062 1449 HD1 PHE 86 HD1 PHE 86 15.644 -9.600 13.964 1450 HD2 PHE 86 HD2 PHE 86 15.850 -5.367 13.221 1451 HE1 PHE 86 HE1 PHE 86 16.491 -9.239 16.273 1452 HE2 PHE 86 HE2 PHE 86 16.729 -5.005 15.515 1453 HZ PHE 86 HZ PHE 86 17.039 -6.940 17.049 1454 H PHE 87 H PHE 87 15.817 -7.066 8.658 1455 HA PHE 87 HA PHE 87 14.272 -9.332 7.599 1456 HB2 PHE 87 HB1 PHE 87 14.986 -6.662 6.338 1457 HB3 PHE 87 HB2 PHE 87 13.782 -7.820 5.749 1458 HD1 PHE 87 HD2 PHE 87 12.249 -8.565 8.098 1459 HD2 PHE 87 HD1 PHE 87 13.876 -4.722 7.033 1460 HE1 PHE 87 HE2 PHE 87 10.547 -7.451 9.520 1461 HE2 PHE 87 HE1 PHE 87 12.170 -3.610 8.453 1462 HZ PHE 87 HZ PHE 87 10.538 -4.977 9.739 1463 H LEU 88 H LEU 88 17.555 -8.762 7.790 1464 HA LEU 88 HA LEU 88 18.173 -9.698 5.035 1465 HB2 LEU 88 HB1 LEU 88 19.616 -8.042 7.105 1466 HB3 LEU 88 HB2 LEU 88 20.509 -8.836 5.786 1467 HG LEU 88 HG LEU 88 19.988 -6.439 5.422 1468 HD11 LEU 88 HD11 LEU 88 19.334 -6.701 3.046 1469 HD12 LEU 88 HD12 LEU 88 20.492 -7.949 3.550 1470 HD13 LEU 88 HD13 LEU 88 18.764 -8.347 3.395 1471 HD21 LEU 88 HD21 LEU 88 17.753 -5.704 4.675 1472 HD22 LEU 88 HD22 LEU 88 17.108 -7.308 5.070 1473 HD23 LEU 88 HD23 LEU 88 17.741 -6.256 6.360 1474 H GLU 89 H GLU 89 20.758 -10.617 5.606 1475 HA GLU 89 HA GLU 89 20.272 -13.185 7.028 1476 HB2 GLU 89 HB1 GLU 89 21.179 -12.511 4.355 1477 HB3 GLU 89 HB2 GLU 89 22.444 -13.425 5.210 1478 HG2 GLU 89 HG1 GLU 89 20.907 -14.959 4.071 1479 HG3 GLU 89 HG2 GLU 89 20.771 -15.136 5.834 1480 H ASP 90 H ASP 90 21.322 -10.578 7.941 1481 HA ASP 90 HA ASP 90 22.699 -9.624 9.405 1482 HB2 ASP 90 HB1 ASP 90 22.589 -11.928 10.479 1483 HB3 ASP 90 HB2 ASP 90 24.184 -12.229 9.757 1484 H ASN 91 H ASN 91 24.481 -11.707 7.096 1485 HA ASN 91 HA ASN 91 26.454 -9.750 6.381 1486 HB2 ASN 91 HB1 ASN 91 26.436 -12.224 5.879 1487 HB3 ASN 91 HB2 ASN 91 25.159 -11.910 4.685 1488 HD21 ASN 91 HD21 ASN 91 25.858 -9.957 3.106 1489 HD22 ASN 91 HD22 ASN 91 27.472 -10.136 2.435 1490 H LYS 92 H LYS 92 25.025 -7.848 6.610 1491 HA LYS 92 HA LYS 92 22.991 -7.442 4.509 1492 HB2 LYS 92 HB1 LYS 92 22.103 -5.776 6.032 1493 HB3 LYS 92 HB2 LYS 92 22.338 -7.335 6.856 1494 HG2 LYS 92 HG1 LYS 92 24.221 -6.545 8.067 1495 HG3 LYS 92 HG2 LYS 92 24.471 -5.172 6.961 1496 HD2 LYS 92 HD1 LYS 92 22.023 -5.595 8.701 1497 HD3 LYS 92 HD2 LYS 92 23.387 -4.529 9.114 1498 HE2 LYS 92 HE1 LYS 92 21.222 -4.167 7.062 1499 HE3 LYS 92 HE2 LYS 92 21.822 -3.033 8.293 1500 HZ1 LYS 92 HZ1 LYS 92 22.465 -2.375 6.088 1501 HZ2 LYS 92 HZ2 LYS 92 23.796 -2.754 6.981 1502 HZ3 LYS 92 HZ3 LYS 92 23.240 -3.806 5.838 Start of MODEL 14 1 HA MET 1 HA MET 1 10.231 1.387 17.971 2 HB2 MET 1 HB1 MET 1 12.366 1.921 20.045 3 HB3 MET 1 HB2 MET 1 11.093 0.697 20.260 4 HG2 MET 1 HG1 MET 1 11.843 -0.392 18.145 5 HG3 MET 1 HG2 MET 1 13.163 0.784 18.039 6 HE1 MET 1 HE1 MET 1 14.203 -3.091 19.221 7 HE2 MET 1 HE2 MET 1 12.589 -2.696 18.585 8 HE3 MET 1 HE3 MET 1 14.044 -2.081 17.765 9 H GLU 2 H GLU 2 11.166 3.290 20.777 10 HA GLU 2 HA GLU 2 9.054 3.907 22.208 11 HB2 GLU 2 HB1 GLU 2 10.196 6.008 22.718 12 HB3 GLU 2 HB2 GLU 2 11.345 4.662 22.535 13 HG2 GLU 2 HG1 GLU 2 10.907 7.035 20.714 14 HG3 GLU 2 HG2 GLU 2 12.387 6.540 21.561 15 H THR 3 H THR 3 9.448 5.573 18.962 16 HA THR 3 HA THR 3 7.597 7.594 19.973 17 HB THR 3 HB THR 3 7.908 8.838 17.979 18 HG1 THR 3 HG1 THR 3 9.244 8.097 16.313 19 HG21 THR 3 HG21 THR 3 10.304 9.346 18.043 20 HG22 THR 3 HG22 THR 3 9.617 9.131 19.665 21 HG23 THR 3 HG23 THR 3 10.588 7.834 18.927 22 HA PRO 4 HA PRO 4 3.887 6.176 18.141 23 HB2 PRO 4 HB1 PRO 4 2.548 8.459 17.362 24 HB3 PRO 4 HB2 PRO 4 2.732 7.915 19.062 25 HG2 PRO 4 HG1 PRO 4 4.397 9.948 17.577 26 HG3 PRO 4 HG2 PRO 4 3.687 10.091 19.218 27 HD2 PRO 4 HD1 PRO 4 6.288 9.375 18.849 28 HD3 PRO 4 HD2 PRO 4 5.301 8.594 20.120 29 H LEU 5 H LEU 5 5.685 8.542 16.044 30 HA LEU 5 HA LEU 5 4.399 7.687 13.634 31 HB2 LEU 5 HB1 LEU 5 5.570 9.810 13.907 32 HB3 LEU 5 HB2 LEU 5 7.113 8.944 14.103 33 HG LEU 5 HG LEU 5 6.969 8.147 11.783 34 HD11 LEU 5 HD11 LEU 5 5.285 9.067 10.222 35 HD12 LEU 5 HD12 LEU 5 4.519 8.087 11.493 36 HD13 LEU 5 HD13 LEU 5 4.461 9.865 11.582 37 HD21 LEU 5 HD21 LEU 5 7.381 10.362 10.750 38 HD22 LEU 5 HD22 LEU 5 6.587 11.157 12.132 39 HD23 LEU 5 HD23 LEU 5 8.109 10.265 12.373 40 H GLU 6 H GLU 6 7.419 6.496 15.234 41 HA GLU 6 HA GLU 6 8.173 4.543 13.379 42 HB2 GLU 6 HB1 GLU 6 9.614 4.688 15.146 43 HB3 GLU 6 HB2 GLU 6 8.307 4.836 16.345 44 HG2 GLU 6 HG1 GLU 6 9.167 2.788 16.882 45 HG3 GLU 6 HG2 GLU 6 7.865 2.329 15.764 46 H LYS 7 H LYS 7 5.515 4.283 15.894 47 HA LYS 7 HA LYS 7 4.938 1.599 15.333 48 HB2 LYS 7 HB1 LYS 7 3.540 3.778 16.659 49 HB3 LYS 7 HB2 LYS 7 2.423 2.664 15.834 50 HG2 LYS 7 HG1 LYS 7 2.748 1.844 18.071 51 HG3 LYS 7 HG2 LYS 7 3.617 0.754 16.964 52 HD2 LYS 7 HD1 LYS 7 5.067 1.092 18.826 53 HD3 LYS 7 HD2 LYS 7 5.722 2.101 17.514 54 HE2 LYS 7 HE1 LYS 7 4.579 4.081 18.453 55 HE3 LYS 7 HE2 LYS 7 3.894 3.079 19.753 56 HZ1 LYS 7 HZ1 LYS 7 5.845 4.250 20.468 57 HZ2 LYS 7 HZ2 LYS 7 6.121 2.625 20.488 58 HZ3 LYS 7 HZ3 LYS 7 6.757 3.554 19.284 59 H ALA 8 H ALA 8 4.120 4.399 13.280 60 HA ALA 8 HA ALA 8 2.430 2.936 11.499 61 HB1 ALA 8 HB1 ALA 8 2.895 4.778 9.922 62 HB2 ALA 8 HB2 ALA 8 2.530 5.393 11.550 63 HB3 ALA 8 HB3 ALA 8 4.213 5.343 10.974 64 H LEU 9 H LEU 9 5.979 3.658 11.280 65 HA LEU 9 HA LEU 9 6.453 2.159 8.919 66 HB2 LEU 9 HB1 LEU 9 8.239 2.998 11.213 67 HB3 LEU 9 HB2 LEU 9 8.847 2.111 9.793 68 HG LEU 9 HG LEU 9 9.418 4.362 9.508 69 HD11 LEU 9 HD11 LEU 9 8.268 5.007 7.419 70 HD12 LEU 9 HD12 LEU 9 8.615 3.266 7.470 71 HD13 LEU 9 HD13 LEU 9 6.967 3.857 7.790 72 HD21 LEU 9 HD21 LEU 9 7.862 6.275 9.535 73 HD22 LEU 9 HD22 LEU 9 6.539 5.181 9.984 74 HD23 LEU 9 HD23 LEU 9 7.904 5.436 11.098 75 H THR 10 H THR 10 6.829 1.211 12.381 76 HA THR 10 HA THR 10 7.591 -1.467 12.059 77 HB THR 10 HB THR 10 6.114 0.090 14.167 78 HG1 THR 10 HG1 THR 10 8.097 -0.423 15.238 79 HG21 THR 10 HG21 THR 10 6.341 -1.840 15.718 80 HG22 THR 10 HG22 THR 10 5.251 -2.228 14.372 81 HG23 THR 10 HG23 THR 10 6.921 -2.843 14.371 82 H THR 11 H THR 11 4.215 -0.119 12.077 83 HA THR 11 HA THR 11 2.939 -2.643 11.665 84 HB THR 11 HB THR 11 2.014 0.131 10.871 85 HG1 THR 11 HG1 THR 11 0.886 -0.088 12.861 86 HG21 THR 11 HG21 THR 11 -0.273 -0.836 10.974 87 HG22 THR 11 HG22 THR 11 0.706 -1.639 9.728 88 HG23 THR 11 HG23 THR 11 0.426 -2.439 11.294 89 H MET 12 H MET 12 4.113 -0.167 9.295 90 HA MET 12 HA MET 12 3.301 -1.527 6.965 91 HB2 MET 12 HB1 MET 12 5.729 0.215 7.455 92 HB3 MET 12 HB2 MET 12 5.274 -0.416 5.854 93 HG2 MET 12 HG1 MET 12 3.174 0.801 5.929 94 HG3 MET 12 HG2 MET 12 3.510 1.349 7.580 95 HE1 MET 12 HE1 MET 12 3.809 4.265 4.633 96 HE2 MET 12 HE2 MET 12 3.066 2.677 4.337 97 HE3 MET 12 HE3 MET 12 2.667 3.583 5.815 98 H VAL 13 H VAL 13 6.485 -1.877 8.730 99 HA VAL 13 HA VAL 13 7.362 -3.832 6.809 100 HB VAL 13 HB VAL 13 9.303 -4.225 8.256 101 HG11 VAL 13 HG11 VAL 13 10.283 -1.968 8.010 102 HG12 VAL 13 HG12 VAL 13 9.310 -2.418 6.591 103 HG13 VAL 13 HG13 VAL 13 8.654 -1.288 7.800 104 HG21 VAL 13 HG21 VAL 13 9.698 -2.870 10.272 105 HG22 VAL 13 HG22 VAL 13 8.055 -2.207 10.141 106 HG23 VAL 13 HG23 VAL 13 8.294 -3.942 10.463 107 H THR 14 H THR 14 5.730 -4.175 9.964 108 HA THR 14 HA THR 14 6.134 -7.021 10.124 109 HB THR 14 HB THR 14 4.061 -6.958 11.617 110 HG1 THR 14 HG1 THR 14 3.570 -4.866 12.382 111 HG21 THR 14 HG21 THR 14 5.327 -5.972 13.486 112 HG22 THR 14 HG22 THR 14 6.362 -7.000 12.470 113 HG23 THR 14 HG23 THR 14 6.451 -5.228 12.326 114 H THR 15 H THR 15 3.272 -5.056 9.023 115 HA THR 15 HA THR 15 1.720 -7.305 8.314 116 HB THR 15 HB THR 15 0.567 -5.788 6.651 117 HG1 THR 15 HG1 THR 15 1.102 -3.578 6.855 118 HG21 THR 15 HG21 THR 15 -0.525 -4.390 8.361 119 HG22 THR 15 HG22 THR 15 -0.289 -6.056 8.930 120 HG23 THR 15 HG23 THR 15 0.794 -4.760 9.492 121 H PHE 16 H PHE 16 4.000 -5.400 6.386 122 HA PHE 16 HA PHE 16 3.837 -6.656 3.899 123 HB2 PHE 16 HB1 PHE 16 4.917 -4.539 4.422 124 HB3 PHE 16 HB2 PHE 16 6.131 -5.374 5.406 125 HD1 PHE 16 HD2 PHE 16 5.132 -6.668 2.055 126 HD2 PHE 16 HD1 PHE 16 7.960 -4.338 4.329 127 HE1 PHE 16 HE2 PHE 16 6.710 -6.685 0.143 128 HE2 PHE 16 HE1 PHE 16 9.463 -4.249 2.356 129 HZ PHE 16 HZ PHE 16 8.793 -5.349 0.234 130 H HIS 17 H HIS 17 5.818 -7.740 6.759 131 HA HIS 17 HA HIS 17 7.298 -9.694 5.338 132 HB2 HIS 17 HB1 HIS 17 7.772 -8.932 7.654 133 HB3 HIS 17 HB2 HIS 17 6.357 -9.841 8.215 134 HD1 HIS 17 HD1 HIS 17 6.602 -12.644 7.371 135 HD2 HIS 17 HD2 HIS 17 10.022 -10.267 7.875 136 HE1 HIS 17 HE1 HIS 17 8.557 -14.254 7.633 137 HE2 HIS 17 HE2 HIS 17 10.673 -12.831 7.919 138 H LYS 18 H LYS 18 3.917 -9.828 6.550 139 HA LYS 18 HA LYS 18 3.506 -12.604 6.076 140 HB2 LYS 18 HB1 LYS 18 2.077 -10.494 7.097 141 HB3 LYS 18 HB2 LYS 18 1.212 -10.825 5.577 142 HG2 LYS 18 HG1 LYS 18 1.764 -12.836 7.780 143 HG3 LYS 18 HG2 LYS 18 0.220 -11.995 7.499 144 HD2 LYS 18 HD1 LYS 18 0.094 -13.088 5.255 145 HD3 LYS 18 HD2 LYS 18 1.563 -14.008 5.663 146 HE2 LYS 18 HE1 LYS 18 -0.357 -15.414 6.066 147 HE3 LYS 18 HE2 LYS 18 0.351 -14.966 7.633 148 HZ1 LYS 18 HZ1 LYS 18 -2.033 -14.792 7.652 149 HZ2 LYS 18 HZ2 LYS 18 -1.354 -13.304 7.854 150 HZ3 LYS 18 HZ3 LYS 18 -2.011 -13.720 6.400 151 H TYR 19 H TYR 19 4.129 -10.162 3.767 152 HA TYR 19 HA TYR 19 2.912 -11.717 1.541 153 HB2 TYR 19 HB1 TYR 19 3.170 -8.709 1.903 154 HB3 TYR 19 HB2 TYR 19 2.553 -9.509 0.448 155 HD1 TYR 19 HD2 TYR 19 0.421 -10.876 0.597 156 HD2 TYR 19 HD1 TYR 19 1.767 -8.315 3.783 157 HE1 TYR 19 HE2 TYR 19 -1.856 -10.927 1.599 158 HE2 TYR 19 HE1 TYR 19 -0.491 -8.391 4.815 159 HH TYR 19 HH TYR 19 -3.185 -10.231 3.349 160 H SER 20 H SER 20 5.827 -11.362 2.788 161 HA SER 20 HA SER 20 7.260 -11.207 0.182 162 HB2 SER 20 HB1 SER 20 9.049 -9.882 1.462 163 HB3 SER 20 HB2 SER 20 7.574 -9.000 0.999 164 HG SER 20 HG SER 20 8.223 -8.575 3.162 165 H GLY 21 H GLY 21 8.182 -11.401 3.629 166 HA2 GLY 21 HA2 GLY 21 8.742 -13.926 3.062 167 H ARG 22 H ARG 22 6.747 -13.876 2.427 168 HA ARG 22 HA ARG 22 5.080 -15.764 3.872 169 HB2 ARG 22 HB1 ARG 22 4.429 -13.886 2.235 170 HB3 ARG 22 HB2 ARG 22 5.047 -14.947 0.946 171 HG2 ARG 22 HG1 ARG 22 3.440 -16.701 1.614 172 HG3 ARG 22 HG2 ARG 22 2.827 -15.649 2.911 173 HD2 ARG 22 HD1 ARG 22 1.374 -15.586 0.893 174 HD3 ARG 22 HD2 ARG 22 2.079 -13.997 1.261 175 HE ARG 22 HE ARG 22 2.985 -14.019 -0.810 176 HH11 ARG 22 HH12 ARG 22 2.360 -17.436 -0.135 177 HH12 ARG 22 HH11 ARG 22 3.217 -17.959 -1.559 178 HH21 ARG 22 HH22 ARG 22 4.233 -14.776 -2.474 179 HH22 ARG 22 HH21 ARG 22 4.252 -16.483 -2.850 180 H GLU 23 H GLU 23 7.484 -15.823 1.238 181 HA GLU 23 HA GLU 23 7.754 -18.758 1.526 182 HB2 GLU 23 HB1 GLU 23 7.359 -17.199 -1.047 183 HB3 GLU 23 HB2 GLU 23 8.172 -18.781 -1.029 184 HG2 GLU 23 HG1 GLU 23 6.149 -19.790 -0.017 185 HG3 GLU 23 HG2 GLU 23 5.338 -18.210 -0.091 186 H GLY 24 H GLY 24 9.345 -15.615 0.762 187 HA2 GLY 24 HA2 GLY 24 11.499 -16.482 1.383 188 H SER 25 H SER 25 12.060 -14.130 -1.020 189 HA SER 25 HA SER 25 13.848 -12.842 0.762 190 HB2 SER 25 HB1 SER 25 13.067 -10.867 -0.981 191 HB3 SER 25 HB2 SER 25 14.344 -12.071 -1.280 192 HG SER 25 HG SER 25 12.826 -11.936 -3.010 193 H LYS 26 H LYS 26 13.513 -11.319 2.511 194 HA LYS 26 HA LYS 26 10.644 -11.605 3.116 195 HB2 LYS 26 HB1 LYS 26 11.198 -11.715 5.429 196 HB3 LYS 26 HB2 LYS 26 12.213 -12.829 4.483 197 HG2 LYS 26 HG1 LYS 26 14.006 -10.992 4.569 198 HG3 LYS 26 HG2 LYS 26 13.002 -10.240 5.831 199 HD2 LYS 26 HD1 LYS 26 14.163 -13.048 5.896 200 HD3 LYS 26 HD2 LYS 26 14.767 -11.643 6.807 201 HE2 LYS 26 HE1 LYS 26 13.478 -12.370 8.493 202 HE3 LYS 26 HE2 LYS 26 12.099 -11.764 7.549 203 HZ1 LYS 26 HZ1 LYS 26 11.787 -14.034 8.223 204 HZ2 LYS 26 HZ2 LYS 26 11.890 -13.942 6.581 205 HZ3 LYS 26 HZ3 LYS 26 13.168 -14.502 7.457 206 H LEU 27 H LEU 27 12.137 -9.140 1.855 207 HA LEU 27 HA LEU 27 10.460 -7.097 3.169 208 HB2 LEU 27 HB1 LEU 27 13.463 -6.934 2.805 209 HB3 LEU 27 HB2 LEU 27 12.429 -5.527 3.145 210 HG LEU 27 HG LEU 27 12.651 -7.938 4.978 211 HD11 LEU 27 HD11 LEU 27 14.179 -6.520 6.302 212 HD12 LEU 27 HD12 LEU 27 14.830 -6.817 4.672 213 HD13 LEU 27 HD13 LEU 27 14.082 -5.250 5.058 214 HD21 LEU 27 HD21 LEU 27 11.709 -6.409 6.682 215 HD22 LEU 27 HD22 LEU 27 11.591 -5.122 5.460 216 HD23 LEU 27 HD23 LEU 27 10.604 -6.594 5.302 217 H THR 28 H THR 28 10.966 -8.603 0.480 218 HA THR 28 HA THR 28 10.157 -6.329 -1.243 219 HB THR 28 HB THR 28 11.237 -7.754 -3.128 220 HG1 THR 28 HG1 THR 28 13.048 -8.929 -2.335 221 HG21 THR 28 HG21 THR 28 13.458 -6.693 -2.831 222 HG22 THR 28 HG22 THR 28 12.147 -5.557 -2.456 223 HG23 THR 28 HG23 THR 28 13.055 -6.339 -1.138 224 H LEU 29 H LEU 29 8.579 -6.928 -2.907 225 HA LEU 29 HA LEU 29 7.526 -9.643 -2.906 226 HB2 LEU 29 HB1 LEU 29 5.441 -9.354 -2.067 227 HB3 LEU 29 HB2 LEU 29 6.413 -8.318 -0.996 228 HG LEU 29 HG LEU 29 4.665 -7.372 -3.267 229 HD11 LEU 29 HD11 LEU 29 3.124 -6.567 -1.503 230 HD12 LEU 29 HD12 LEU 29 3.361 -8.326 -1.412 231 HD13 LEU 29 HD13 LEU 29 4.198 -7.254 -0.265 232 HD21 LEU 29 HD21 LEU 29 4.904 -5.090 -2.362 233 HD22 LEU 29 HD22 LEU 29 6.028 -5.706 -1.138 234 HD23 LEU 29 HD23 LEU 29 6.464 -5.768 -2.861 235 H SER 30 H SER 30 5.629 -9.944 -4.425 236 HA SER 30 HA SER 30 6.410 -8.728 -6.952 237 HB2 SER 30 HB1 SER 30 4.810 -10.326 -7.925 238 HB3 SER 30 HB2 SER 30 5.957 -11.108 -6.811 239 HG SER 30 HG SER 30 3.794 -11.822 -6.508 240 H ARG 31 H ARG 31 4.998 -7.524 -8.471 241 HA ARG 31 HA ARG 31 3.611 -5.462 -7.077 242 HB2 ARG 31 HB1 ARG 31 3.018 -5.992 -9.961 243 HB3 ARG 31 HB2 ARG 31 3.141 -4.445 -9.089 244 HG2 ARG 31 HG1 ARG 31 5.516 -6.163 -9.758 245 HG3 ARG 31 HG2 ARG 31 4.864 -4.915 -10.847 246 HD2 ARG 31 HD1 ARG 31 6.005 -4.453 -8.089 247 HD3 ARG 31 HD2 ARG 31 6.844 -4.171 -9.630 248 HE ARG 31 HE ARG 31 5.454 -2.292 -8.243 249 HH11 ARG 31 HH12 ARG 31 4.675 -3.420 -11.530 250 HH12 ARG 31 HH11 ARG 31 4.163 -1.828 -12.012 251 HH21 ARG 31 HH22 ARG 31 4.921 -0.341 -8.968 252 HH22 ARG 31 HH21 ARG 31 4.300 -0.126 -10.587 253 H LYS 32 H LYS 32 2.367 -8.489 -8.456 254 HA LYS 32 HA LYS 32 -0.431 -7.843 -8.379 255 HB2 LYS 32 HB1 LYS 32 0.792 -9.734 -9.566 256 HB3 LYS 32 HB2 LYS 32 0.888 -10.546 -7.985 257 HG2 LYS 32 HG1 LYS 32 -1.216 -11.317 -8.172 258 HG3 LYS 32 HG2 LYS 32 -1.843 -9.695 -8.552 259 HD2 LYS 32 HD1 LYS 32 -0.414 -11.421 -10.608 260 HD3 LYS 32 HD2 LYS 32 -2.174 -11.493 -10.354 261 HE2 LYS 32 HE1 LYS 32 -2.498 -9.281 -11.083 262 HE3 LYS 32 HE2 LYS 32 -0.793 -8.846 -10.830 263 HZ1 LYS 32 HZ1 LYS 32 -1.320 -9.063 -13.145 264 HZ2 LYS 32 HZ2 LYS 32 -0.231 -10.217 -12.698 265 HZ3 LYS 32 HZ3 LYS 32 -1.813 -10.621 -12.934 266 H GLU 33 H GLU 33 1.773 -9.269 -6.030 267 HA GLU 33 HA GLU 33 -0.042 -9.847 -3.888 268 HB2 GLU 33 HB1 GLU 33 2.273 -10.696 -4.654 269 HB3 GLU 33 HB2 GLU 33 2.906 -9.296 -3.759 270 HG2 GLU 33 HG1 GLU 33 2.331 -10.267 -1.673 271 HG3 GLU 33 HG2 GLU 33 1.401 -11.564 -2.457 272 H LEU 34 H LEU 34 1.890 -6.916 -4.746 273 HA LEU 34 HA LEU 34 1.274 -5.421 -2.415 274 HB2 LEU 34 HB1 LEU 34 2.979 -4.891 -4.241 275 HB3 LEU 34 HB2 LEU 34 1.616 -4.245 -5.185 276 HG LEU 34 HG LEU 34 1.126 -2.951 -2.903 277 HD11 LEU 34 HD11 LEU 34 3.213 -2.259 -1.773 278 HD12 LEU 34 HD12 LEU 34 2.969 -4.016 -1.670 279 HD13 LEU 34 HD13 LEU 34 4.140 -3.347 -2.830 280 HD21 LEU 34 HD21 LEU 34 2.381 -0.982 -3.711 281 HD22 LEU 34 HD22 LEU 34 3.301 -2.029 -4.812 282 HD23 LEU 34 HD23 LEU 34 1.547 -1.815 -5.040 283 H LYS 35 H LYS 35 -0.556 -5.359 -5.627 284 HA LYS 35 HA LYS 35 -2.689 -3.798 -4.647 285 HB2 LYS 35 HB1 LYS 35 -2.917 -4.122 -6.897 286 HB3 LYS 35 HB2 LYS 35 -2.400 -5.823 -6.824 287 HG2 LYS 35 HG1 LYS 35 -4.524 -6.587 -6.234 288 HG3 LYS 35 HG2 LYS 35 -5.033 -5.001 -5.606 289 HD2 LYS 35 HD1 LYS 35 -4.503 -5.089 -8.519 290 HD3 LYS 35 HD2 LYS 35 -5.885 -6.060 -7.960 291 HE2 LYS 35 HE1 LYS 35 -6.679 -4.057 -6.650 292 HE3 LYS 35 HE2 LYS 35 -5.369 -3.109 -7.389 293 HZ1 LYS 35 HZ1 LYS 35 -7.456 -2.763 -8.503 294 HZ2 LYS 35 HZ2 LYS 35 -6.381 -3.490 -9.517 295 HZ3 LYS 35 HZ3 LYS 35 -7.596 -4.371 -8.832 296 H GLU 36 H GLU 36 -2.213 -7.329 -4.401 297 HA GLU 36 HA GLU 36 -4.699 -8.023 -3.280 298 HB2 GLU 36 HB1 GLU 36 -3.108 -9.575 -4.304 299 HB3 GLU 36 HB2 GLU 36 -1.957 -9.286 -2.978 300 HG2 GLU 36 HG1 GLU 36 -2.972 -11.407 -2.642 301 HG3 GLU 36 HG2 GLU 36 -3.590 -10.288 -1.407 302 H LEU 37 H LEU 37 -1.610 -7.121 -1.661 303 HA LEU 37 HA LEU 37 -2.331 -7.534 1.002 304 HB2 LEU 37 HB1 LEU 37 -0.075 -7.133 0.151 305 HB3 LEU 37 HB2 LEU 37 -0.508 -5.450 -0.238 306 HG LEU 37 HG LEU 37 -0.481 -6.548 2.582 307 HD11 LEU 37 HD11 LEU 37 1.774 -5.500 2.786 308 HD12 LEU 37 HD12 LEU 37 1.768 -6.767 1.537 309 HD13 LEU 37 HD13 LEU 37 1.714 -5.051 1.066 310 HD21 LEU 37 HD21 LEU 37 -0.228 -4.171 3.265 311 HD22 LEU 37 HD22 LEU 37 -0.293 -3.685 1.559 312 HD23 LEU 37 HD23 LEU 37 -1.718 -4.419 2.333 313 H ILE 38 H ILE 38 -2.619 -4.529 -0.889 314 HA ILE 38 HA ILE 38 -3.790 -2.923 1.126 315 HB ILE 38 HB ILE 38 -3.793 -2.769 -1.907 316 HG12 ILE 38 HG13 ILE 38 -2.221 -1.222 0.192 317 HG13 ILE 38 HG12 ILE 38 -1.614 -2.668 -0.651 318 HG21 ILE 38 HG21 ILE 38 -4.460 -0.398 -1.679 319 HG22 ILE 38 HG22 ILE 38 -5.719 -1.487 -1.056 320 HG23 ILE 38 HG23 ILE 38 -4.651 -0.622 0.074 321 HD11 ILE 38 HD11 ILE 38 -0.716 -0.601 -1.671 322 HD12 ILE 38 HD12 ILE 38 -1.766 -1.480 -2.803 323 HD13 ILE 38 HD13 ILE 38 -2.374 -0.033 -1.962 324 H LYS 39 H LYS 39 -5.329 -5.187 -1.212 325 HA LYS 39 HA LYS 39 -7.932 -4.493 -0.054 326 HB2 LYS 39 HB1 LYS 39 -6.984 -5.588 -2.591 327 HB3 LYS 39 HB2 LYS 39 -8.378 -6.483 -1.939 328 HG2 LYS 39 HG1 LYS 39 -8.275 -3.441 -2.105 329 HG3 LYS 39 HG2 LYS 39 -8.961 -4.464 -3.392 330 HD2 LYS 39 HD1 LYS 39 -10.835 -4.970 -2.178 331 HD3 LYS 39 HD2 LYS 39 -9.947 -5.023 -0.636 332 HE2 LYS 39 HE1 LYS 39 -9.913 -2.577 -0.537 333 HE3 LYS 39 HE2 LYS 39 -10.706 -2.477 -2.124 334 HZ1 LYS 39 HZ1 LYS 39 -12.263 -2.215 -0.334 335 HZ2 LYS 39 HZ2 LYS 39 -12.598 -3.593 -1.176 336 HZ3 LYS 39 HZ3 LYS 39 -11.861 -3.685 0.296 337 H LYS 40 H LYS 40 -5.530 -6.658 0.915 338 HA LYS 40 HA LYS 40 -7.430 -8.620 1.986 339 HB2 LYS 40 HB1 LYS 40 -4.456 -8.193 2.351 340 HB3 LYS 40 HB2 LYS 40 -5.380 -9.402 3.276 341 HG2 LYS 40 HG1 LYS 40 -4.556 -9.391 0.411 342 HG3 LYS 40 HG2 LYS 40 -4.474 -10.688 1.627 343 HD2 LYS 40 HD1 LYS 40 -6.136 -11.504 0.298 344 HD3 LYS 40 HD2 LYS 40 -7.108 -10.557 1.450 345 HE2 LYS 40 HE1 LYS 40 -7.676 -8.974 -0.111 346 HE3 LYS 40 HE2 LYS 40 -6.150 -9.146 -1.005 347 HZ1 LYS 40 HZ1 LYS 40 -8.008 -9.966 -2.255 348 HZ2 LYS 40 HZ2 LYS 40 -6.977 -11.200 -1.896 349 HZ3 LYS 40 HZ3 LYS 40 -8.393 -11.041 -1.065 350 H GLU 41 H GLU 41 -5.274 -6.100 3.157 351 HA GLU 41 HA GLU 41 -6.587 -6.122 5.771 352 HB2 GLU 41 HB1 GLU 41 -4.855 -4.864 6.639 353 HB3 GLU 41 HB2 GLU 41 -4.129 -6.096 5.581 354 HG2 GLU 41 HG1 GLU 41 -2.826 -4.304 5.088 355 HG3 GLU 41 HG2 GLU 41 -4.081 -4.140 3.840 356 H LEU 42 H LEU 42 -6.180 -3.660 3.098 357 HA LEU 42 HA LEU 42 -7.515 -1.727 4.807 358 HB2 LEU 42 HB1 LEU 42 -5.665 -1.562 2.741 359 HB3 LEU 42 HB2 LEU 42 -7.142 -0.830 2.072 360 HG LEU 42 HG LEU 42 -5.961 -0.080 4.761 361 HD11 LEU 42 HD11 LEU 42 -5.043 1.934 3.638 362 HD12 LEU 42 HD12 LEU 42 -4.352 0.442 2.960 363 HD13 LEU 42 HD13 LEU 42 -5.622 1.318 2.073 364 HD21 LEU 42 HD21 LEU 42 -7.364 1.950 4.539 365 HD22 LEU 42 HD22 LEU 42 -7.982 1.346 2.985 366 HD23 LEU 42 HD23 LEU 42 -8.351 0.473 4.492 367 H CYS 43 H CYS 43 -9.488 -2.406 5.240 368 HA CYS 43 HA CYS 43 -11.027 -3.987 3.502 369 HB2 CYS 43 HB1 CYS 43 -11.176 -4.328 5.816 370 HB3 CYS 43 HB2 CYS 43 -11.534 -2.614 6.139 371 HG CYS 43 HG CYS 43 -13.644 -4.076 6.650 372 H LEU 44 H LEU 44 -11.867 -0.782 4.674 373 HA LEU 44 HA LEU 44 -12.610 1.061 3.768 374 HB2 LEU 44 HB1 LEU 44 -11.836 -0.364 1.243 375 HB3 LEU 44 HB2 LEU 44 -12.720 1.177 1.147 376 HG LEU 44 HG LEU 44 -10.203 0.859 2.769 377 HD11 LEU 44 HD11 LEU 44 -8.923 1.727 0.826 378 HD12 LEU 44 HD12 LEU 44 -9.701 0.174 0.452 379 HD13 LEU 44 HD13 LEU 44 -10.403 1.693 -0.157 380 HD21 LEU 44 HD21 LEU 44 -9.949 3.298 2.456 381 HD22 LEU 44 HD22 LEU 44 -11.447 3.322 1.506 382 HD23 LEU 44 HD23 LEU 44 -11.492 2.894 3.233 383 H GLY 45 H GLY 45 -14.654 -1.851 2.815 384 HA2 GLY 45 HA2 GLY 45 -15.496 -1.900 1.123 385 H GLU 46 H GLU 46 -16.119 0.810 -0.705 386 HA GLU 46 HA GLU 46 -13.526 1.545 -1.163 387 HB2 GLU 46 HB1 GLU 46 -13.026 0.602 -3.449 388 HB3 GLU 46 HB2 GLU 46 -12.679 -0.372 -2.000 389 HG2 GLU 46 HG1 GLU 46 -15.137 -1.326 -2.610 390 HG3 GLU 46 HG2 GLU 46 -14.575 -0.878 -4.234 391 H MET 47 H MET 47 -15.587 2.914 -0.840 392 HA MET 47 HA MET 47 -17.183 3.834 -2.905 393 HB2 MET 47 HB1 MET 47 -17.452 5.853 -1.402 394 HB3 MET 47 HB2 MET 47 -17.793 4.257 -0.690 395 HG2 MET 47 HG1 MET 47 -15.086 5.531 -0.343 396 HG3 MET 47 HG2 MET 47 -16.449 6.047 0.665 397 HE1 MET 47 HE1 MET 47 -13.595 2.865 1.704 398 HE2 MET 47 HE2 MET 47 -13.666 3.490 0.041 399 HE3 MET 47 HE3 MET 47 -13.490 4.616 1.410 400 H LYS 48 H LYS 48 -13.879 4.325 -3.079 401 HA LYS 48 HA LYS 48 -13.912 6.921 -4.284 402 HB2 LYS 48 HB1 LYS 48 -11.849 5.171 -5.365 403 HB3 LYS 48 HB2 LYS 48 -11.731 6.763 -4.581 404 HG2 LYS 48 HG1 LYS 48 -10.380 5.266 -3.373 405 HG3 LYS 48 HG2 LYS 48 -11.819 5.606 -2.382 406 HD2 LYS 48 HD1 LYS 48 -11.052 3.237 -2.339 407 HD3 LYS 48 HD2 LYS 48 -12.745 3.467 -2.836 408 HE2 LYS 48 HE1 LYS 48 -10.590 3.202 -4.911 409 HE3 LYS 48 HE2 LYS 48 -11.201 1.757 -4.077 410 HZ1 LYS 48 HZ1 LYS 48 -12.321 2.121 -6.163 411 HZ2 LYS 48 HZ2 LYS 48 -13.377 2.275 -4.912 412 HZ3 LYS 48 HZ3 LYS 48 -12.810 3.616 -5.685 413 H GLU 49 H GLU 49 -13.799 7.470 -6.558 414 HA GLU 49 HA GLU 49 -14.970 5.655 -8.474 415 HB2 GLU 49 HB1 GLU 49 -13.471 8.273 -8.742 416 HB3 GLU 49 HB2 GLU 49 -14.161 7.391 -10.125 417 HG2 GLU 49 HG1 GLU 49 -16.399 7.484 -8.886 418 HG3 GLU 49 HG2 GLU 49 -15.629 8.641 -7.782 419 H SER 50 H SER 50 -13.129 6.001 -10.700 420 HA SER 50 HA SER 50 -11.153 3.931 -10.160 421 HB2 SER 50 HB1 SER 50 -12.547 4.132 -12.256 422 HB3 SER 50 HB2 SER 50 -11.578 5.563 -12.685 423 HG SER 50 HG SER 50 -10.779 3.630 -13.637 424 H SER 51 H SER 51 -9.135 4.929 -11.970 425 HA SER 51 HA SER 51 -7.198 6.046 -12.116 426 HB2 SER 51 HB1 SER 51 -8.373 8.116 -10.232 427 HB3 SER 51 HB2 SER 51 -6.876 8.285 -11.179 428 HG SER 51 HG SER 51 -8.700 9.213 -12.226 429 H ILE 52 H ILE 52 -8.335 6.074 -8.681 430 HA ILE 52 HA ILE 52 -6.044 5.233 -7.370 431 HB ILE 52 HB ILE 52 -7.471 4.084 -5.825 432 HG12 ILE 52 HG13 ILE 52 -10.085 4.172 -6.499 433 HG13 ILE 52 HG12 ILE 52 -9.364 3.806 -8.086 434 HG21 ILE 52 HG21 ILE 52 -9.086 5.861 -5.259 435 HG22 ILE 52 HG22 ILE 52 -7.522 6.528 -5.773 436 HG23 ILE 52 HG23 ILE 52 -8.906 6.534 -6.893 437 HD11 ILE 52 HD11 ILE 52 -9.974 1.716 -6.881 438 HD12 ILE 52 HD12 ILE 52 -8.216 1.836 -7.111 439 HD13 ILE 52 HD13 ILE 52 -8.934 2.202 -5.524 440 H ASP 53 H ASP 53 -8.006 3.398 -9.675 441 HA ASP 53 HA ASP 53 -6.358 1.009 -9.173 442 HB2 ASP 53 HB1 ASP 53 -9.059 1.146 -9.311 443 HB3 ASP 53 HB2 ASP 53 -8.668 0.732 -10.996 444 H ASP 54 H ASP 54 -6.445 3.633 -11.395 445 HA ASP 54 HA ASP 54 -5.045 2.170 -13.476 446 HB2 ASP 54 HB1 ASP 54 -6.043 4.405 -13.901 447 HB3 ASP 54 HB2 ASP 54 -4.854 5.126 -12.796 448 H LEU 55 H LEU 55 -4.020 4.059 -10.561 449 HA LEU 55 HA LEU 55 -1.287 3.464 -10.563 450 HB2 LEU 55 HB1 LEU 55 -3.179 3.379 -8.191 451 HB3 LEU 55 HB2 LEU 55 -1.410 3.556 -8.123 452 HG LEU 55 HG LEU 55 -3.366 5.564 -9.271 453 HD11 LEU 55 HD11 LEU 55 -2.749 6.911 -7.292 454 HD12 LEU 55 HD12 LEU 55 -3.475 5.358 -6.818 455 HD13 LEU 55 HD13 LEU 55 -1.711 5.585 -6.713 456 HD21 LEU 55 HD21 LEU 55 -1.424 7.081 -9.441 457 HD22 LEU 55 HD22 LEU 55 -0.354 5.769 -8.896 458 HD23 LEU 55 HD23 LEU 55 -1.209 5.635 -10.452 459 H MET 56 H MET 56 -3.994 1.392 -9.351 460 HA MET 56 HA MET 56 -2.407 -0.879 -8.727 461 HB2 MET 56 HB1 MET 56 -5.318 -0.669 -9.553 462 HB3 MET 56 HB2 MET 56 -4.554 -2.126 -8.873 463 HG2 MET 56 HG1 MET 56 -4.577 0.531 -7.431 464 HG3 MET 56 HG2 MET 56 -5.888 -0.649 -7.274 465 HE1 MET 56 HE1 MET 56 -4.715 -1.671 -3.987 466 HE2 MET 56 HE2 MET 56 -5.270 -0.134 -4.707 467 HE3 MET 56 HE3 MET 56 -6.038 -1.668 -5.183 468 H LYS 57 H LYS 57 -3.997 0.064 -11.848 469 HA LYS 57 HA LYS 57 -3.210 -2.342 -13.195 470 HB2 LYS 57 HB1 LYS 57 -4.758 -0.120 -13.833 471 HB3 LYS 57 HB2 LYS 57 -3.364 0.001 -14.934 472 HG2 LYS 57 HG1 LYS 57 -5.242 -2.365 -14.620 473 HG3 LYS 57 HG2 LYS 57 -5.164 -1.239 -15.997 474 HD2 LYS 57 HD1 LYS 57 -2.895 -2.058 -16.533 475 HD3 LYS 57 HD2 LYS 57 -2.981 -3.189 -15.162 476 HE2 LYS 57 HE1 LYS 57 -5.140 -4.080 -16.263 477 HE3 LYS 57 HE2 LYS 57 -4.625 -3.187 -17.711 478 HZ1 LYS 57 HZ1 LYS 57 -3.878 -5.457 -17.754 479 HZ2 LYS 57 HZ2 LYS 57 -2.584 -4.438 -17.677 480 HZ3 LYS 57 HZ3 LYS 57 -3.062 -5.266 -16.334 481 H SER 58 H SER 58 -1.505 0.685 -12.508 482 HA SER 58 HA SER 58 0.777 0.066 -14.130 483 HB2 SER 58 HB1 SER 58 -0.006 2.361 -13.257 484 HB3 SER 58 HB2 SER 58 0.854 1.920 -11.762 485 HG SER 58 HG SER 58 2.190 3.061 -13.252 486 H LEU 59 H LEU 59 -0.105 -0.853 -10.796 487 HA LEU 59 HA LEU 59 2.328 -2.258 -10.258 488 HB2 LEU 59 HB1 LEU 59 -0.476 -3.021 -9.400 489 HB3 LEU 59 HB2 LEU 59 1.055 -3.574 -8.680 490 HG LEU 59 HG LEU 59 -0.059 -0.753 -8.572 491 HD11 LEU 59 HD11 LEU 59 -0.399 -1.300 -6.185 492 HD12 LEU 59 HD12 LEU 59 -1.309 -2.412 -7.237 493 HD13 LEU 59 HD13 LEU 59 0.207 -2.950 -6.472 494 HD21 LEU 59 HD21 LEU 59 1.793 -0.296 -7.009 495 HD22 LEU 59 HD22 LEU 59 2.435 -1.931 -7.289 496 HD23 LEU 59 HD23 LEU 59 2.400 -0.747 -8.617 497 H ASP 60 H ASP 60 -0.782 -3.353 -11.691 498 HA ASP 60 HA ASP 60 -0.034 -6.055 -12.047 499 HB2 ASP 60 HB1 ASP 60 -2.322 -5.327 -11.876 500 HB3 ASP 60 HB2 ASP 60 -2.156 -4.296 -13.313 501 H LYS 61 H LYS 61 0.359 -3.314 -14.190 502 HA LYS 61 HA LYS 61 0.732 -3.893 -16.703 503 HB2 LYS 61 HB1 LYS 61 1.301 -1.825 -15.490 504 HB3 LYS 61 HB2 LYS 61 2.785 -2.589 -14.872 505 HG2 LYS 61 HG1 LYS 61 3.893 -1.802 -16.630 506 HG3 LYS 61 HG2 LYS 61 2.880 -2.804 -17.696 507 HD2 LYS 61 HD1 LYS 61 2.942 -0.399 -18.328 508 HD3 LYS 61 HD2 LYS 61 1.306 -1.021 -17.998 509 HE2 LYS 61 HE1 LYS 61 1.853 1.311 -17.132 510 HE3 LYS 61 HE2 LYS 61 1.136 0.170 -15.974 511 HZ1 LYS 61 HZ1 LYS 61 2.946 1.400 -15.006 512 HZ2 LYS 61 HZ2 LYS 61 3.325 -0.199 -15.084 513 HZ3 LYS 61 HZ3 LYS 61 3.989 0.859 -16.159 514 H ASN 62 H ASN 62 3.526 -4.516 -14.576 515 HA ASN 62 HA ASN 62 4.050 -7.122 -15.911 516 HB2 ASN 62 HB1 ASN 62 6.198 -5.127 -15.102 517 HB3 ASN 62 HB2 ASN 62 6.425 -6.694 -15.904 518 HD21 ASN 62 HD21 ASN 62 5.978 -6.886 -18.159 519 HD22 ASN 62 HD22 ASN 62 5.784 -5.472 -19.180 520 H SER 63 H SER 63 3.691 -8.514 -14.194 521 HA SER 63 HA SER 63 3.369 -7.277 -11.535 522 HB2 SER 63 HB1 SER 63 2.426 -9.814 -12.915 523 HB3 SER 63 HB2 SER 63 2.212 -9.571 -11.165 524 HG SER 63 HG SER 63 0.391 -8.883 -12.387 525 H ASP 64 H ASP 64 5.963 -8.783 -12.930 526 HA ASP 64 HA ASP 64 5.839 -11.321 -11.361 527 HB2 ASP 64 HB1 ASP 64 6.893 -10.856 -14.178 528 HB3 ASP 64 HB2 ASP 64 6.520 -12.408 -13.397 529 H GLN 65 H GLN 65 7.042 -8.915 -10.628 530 HA GLN 65 HA GLN 65 9.994 -9.234 -10.661 531 HB2 GLN 65 HB1 GLN 65 8.183 -6.855 -11.290 532 HB3 GLN 65 HB2 GLN 65 9.914 -6.689 -10.905 533 HG2 GLN 65 HG1 GLN 65 10.554 -7.827 -12.911 534 HG3 GLN 65 HG2 GLN 65 8.881 -8.331 -13.237 535 HE21 GLN 65 HE12 GLN 65 10.244 -5.077 -12.314 536 HE22 GLN 65 HE22 GLN 65 9.579 -4.257 -13.705 537 H GLU 66 H GLU 66 10.906 -8.427 -8.690 538 HA GLU 66 HA GLU 66 9.060 -7.955 -6.507 539 HB2 GLU 66 HB1 GLU 66 12.071 -7.906 -6.752 540 HB3 GLU 66 HB2 GLU 66 11.237 -7.406 -5.261 541 HG2 GLU 66 HG1 GLU 66 10.218 -9.629 -5.057 542 HG3 GLU 66 HG2 GLU 66 10.978 -10.136 -6.582 543 H ILE 67 H ILE 67 8.537 -6.099 -5.502 544 HA ILE 67 HA ILE 67 10.249 -3.708 -5.946 545 HB ILE 67 HB ILE 67 8.238 -2.534 -4.755 546 HG12 ILE 67 HG13 ILE 67 6.755 -4.835 -6.050 547 HG13 ILE 67 HG12 ILE 67 6.957 -4.600 -4.296 548 HG21 ILE 67 HG21 ILE 67 7.330 -1.976 -6.970 549 HG22 ILE 67 HG22 ILE 67 9.109 -2.057 -6.991 550 HG23 ILE 67 HG23 ILE 67 8.149 -3.397 -7.664 551 HD11 ILE 67 HD11 ILE 67 4.738 -3.816 -5.051 552 HD12 ILE 67 HD12 ILE 67 5.725 -2.473 -4.439 553 HD13 ILE 67 HD13 ILE 67 5.524 -2.706 -6.193 554 H ASP 68 H ASP 68 10.851 -2.542 -4.057 555 HA ASP 68 HA ASP 68 10.804 -4.069 -1.550 556 HB2 ASP 68 HB1 ASP 68 12.488 -2.618 -0.778 557 HB3 ASP 68 HB2 ASP 68 12.870 -2.941 -2.484 558 H PHE 69 H PHE 69 10.651 -2.560 0.439 559 HA PHE 69 HA PHE 69 8.095 -1.626 0.913 560 HB2 PHE 69 HB1 PHE 69 9.438 -0.257 2.772 561 HB3 PHE 69 HB2 PHE 69 9.219 -2.014 2.848 562 HD1 PHE 69 HD1 PHE 69 11.662 0.367 1.202 563 HD2 PHE 69 HD2 PHE 69 11.080 -3.161 3.602 564 HE1 PHE 69 HE1 PHE 69 14.101 -0.092 1.126 565 HE2 PHE 69 HE2 PHE 69 13.521 -3.601 3.539 566 HZ PHE 69 HZ PHE 69 15.026 -2.100 2.258 567 H LYS 70 H LYS 70 10.019 0.056 -1.338 568 HA LYS 70 HA LYS 70 9.494 2.736 -0.189 569 HB2 LYS 70 HB1 LYS 70 11.713 1.747 -1.149 570 HB3 LYS 70 HB2 LYS 70 10.987 2.133 -2.727 571 HG2 LYS 70 HG1 LYS 70 10.927 4.466 -2.231 572 HG3 LYS 70 HG2 LYS 70 11.316 4.180 -0.517 573 HD2 LYS 70 HD1 LYS 70 13.182 3.384 -2.780 574 HD3 LYS 70 HD2 LYS 70 13.239 4.989 -2.012 575 HE2 LYS 70 HE1 LYS 70 14.703 4.079 -0.566 576 HE3 LYS 70 HE2 LYS 70 13.298 3.273 0.165 577 HZ1 LYS 70 HZ1 LYS 70 15.064 1.729 -0.305 578 HZ2 LYS 70 HZ2 LYS 70 13.743 1.379 -1.225 579 HZ3 LYS 70 HZ3 LYS 70 15.047 2.127 -1.904 580 H GLU 71 H GLU 71 9.130 1.139 -3.409 581 HA GLU 71 HA GLU 71 7.042 2.599 -4.526 582 HB2 GLU 71 HB1 GLU 71 7.836 -0.300 -4.473 583 HB3 GLU 71 HB2 GLU 71 6.239 0.116 -5.143 584 HG2 GLU 71 HG1 GLU 71 8.457 1.829 -6.093 585 HG3 GLU 71 HG2 GLU 71 8.590 0.121 -6.565 586 H TYR 72 H TYR 72 6.857 -0.037 -2.104 587 HA TYR 72 HA TYR 72 4.047 -0.132 -1.800 588 HB2 TYR 72 HB1 TYR 72 5.416 -1.891 -1.070 589 HB3 TYR 72 HB2 TYR 72 6.448 -0.813 -0.116 590 HD1 TYR 72 HD2 TYR 72 2.699 -1.399 -0.040 591 HD2 TYR 72 HD1 TYR 72 6.428 -1.430 2.101 592 HE1 TYR 72 HE2 TYR 72 1.568 -2.421 1.915 593 HE2 TYR 72 HE1 TYR 72 5.267 -2.274 4.126 594 HH TYR 72 HH TYR 72 1.760 -3.127 4.070 595 H SER 73 H SER 73 6.445 1.802 0.087 596 HA SER 73 HA SER 73 4.516 3.129 1.704 597 HB2 SER 73 HB1 SER 73 6.974 2.882 2.152 598 HB3 SER 73 HB2 SER 73 7.264 4.132 0.918 599 HG SER 73 HG SER 73 7.132 4.991 3.040 600 H VAL 74 H VAL 74 6.055 4.242 -1.440 601 HA VAL 74 HA VAL 74 4.577 6.690 -1.321 602 HB VAL 74 HB VAL 74 5.057 7.081 -3.652 603 HG11 VAL 74 HG11 VAL 74 7.503 7.256 -3.425 604 HG12 VAL 74 HG12 VAL 74 6.668 7.682 -1.916 605 HG13 VAL 74 HG13 VAL 74 7.454 6.095 -2.081 606 HG21 VAL 74 HG21 VAL 74 6.514 5.634 -5.009 607 HG22 VAL 74 HG22 VAL 74 6.452 4.400 -3.737 608 HG23 VAL 74 HG23 VAL 74 4.973 4.848 -4.620 609 H PHE 75 H PHE 75 3.706 3.479 -2.537 610 HA PHE 75 HA PHE 75 1.411 4.424 -4.015 611 HB2 PHE 75 HB1 PHE 75 2.707 2.265 -4.378 612 HB3 PHE 75 HB2 PHE 75 1.913 1.641 -2.922 613 HD1 PHE 75 HD1 PHE 75 -0.668 1.529 -2.887 614 HD2 PHE 75 HD2 PHE 75 1.600 2.351 -6.453 615 HE1 PHE 75 HE1 PHE 75 -2.614 0.853 -4.282 616 HE2 PHE 75 HE2 PHE 75 -0.322 1.629 -7.838 617 HZ PHE 75 HZ PHE 75 -2.453 0.954 -6.763 618 H LEU 76 H LEU 76 1.841 2.971 -0.691 619 HA LEU 76 HA LEU 76 -0.889 3.213 0.064 620 HB2 LEU 76 HB1 LEU 76 1.722 3.280 1.588 621 HB3 LEU 76 HB2 LEU 76 0.146 3.404 2.406 622 HG LEU 76 HG LEU 76 0.939 1.074 0.621 623 HD11 LEU 76 HD11 LEU 76 1.371 -0.139 2.743 624 HD12 LEU 76 HD12 LEU 76 2.453 1.266 2.576 625 HD13 LEU 76 HD13 LEU 76 1.044 1.352 3.661 626 HD21 LEU 76 HD21 LEU 76 -0.927 -0.085 1.768 627 HD22 LEU 76 HD22 LEU 76 -1.275 1.394 2.692 628 HD23 LEU 76 HD23 LEU 76 -1.498 1.375 0.927 629 H THR 77 H THR 77 1.787 5.572 0.177 630 HA THR 77 HA THR 77 0.402 7.740 1.401 631 HB THR 77 HB THR 77 2.771 7.657 -0.504 632 HG1 THR 77 HG1 THR 77 3.886 7.878 1.493 633 HG21 THR 77 HG21 THR 77 3.333 9.887 0.423 634 HG22 THR 77 HG22 THR 77 1.765 9.918 -0.414 635 HG23 THR 77 HG23 THR 77 1.825 9.870 1.364 636 H MET 78 H MET 78 0.931 6.907 -2.030 637 HA MET 78 HA MET 78 -0.321 9.255 -3.123 638 HB2 MET 78 HB1 MET 78 1.480 8.012 -4.214 639 HB3 MET 78 HB2 MET 78 0.451 6.562 -4.297 640 HG2 MET 78 HG1 MET 78 -0.979 7.557 -5.901 641 HG3 MET 78 HG2 MET 78 -0.259 9.157 -5.657 642 HE1 MET 78 HE1 MET 78 2.233 5.698 -7.561 643 HE2 MET 78 HE2 MET 78 1.993 5.926 -5.815 644 HE3 MET 78 HE3 MET 78 0.630 5.429 -6.846 645 H LEU 79 H LEU 79 -1.417 5.848 -2.699 646 HA LEU 79 HA LEU 79 -4.031 6.265 -3.765 647 HB2 LEU 79 HB1 LEU 79 -3.037 4.060 -3.565 648 HB3 LEU 79 HB2 LEU 79 -2.957 4.224 -1.794 649 HG LEU 79 HG LEU 79 -5.378 4.204 -1.646 650 HD11 LEU 79 HD11 LEU 79 -6.827 3.752 -3.602 651 HD12 LEU 79 HD12 LEU 79 -5.962 5.294 -3.777 652 HD13 LEU 79 HD13 LEU 79 -5.411 3.855 -4.668 653 HD21 LEU 79 HD21 LEU 79 -5.775 1.867 -2.360 654 HD22 LEU 79 HD22 LEU 79 -4.331 1.943 -3.396 655 HD23 LEU 79 HD23 LEU 79 -4.166 2.056 -1.627 656 H CYS 80 H CYS 80 -2.733 6.680 -0.401 657 HA CYS 80 HA CYS 80 -5.212 7.520 0.737 658 HB2 CYS 80 HB1 CYS 80 -3.240 6.941 2.056 659 HB3 CYS 80 HB2 CYS 80 -2.337 8.309 1.355 660 HG CYS 80 HG CYS 80 -3.016 8.859 3.820 661 H MET 81 H MET 81 -2.686 9.451 -1.023 662 HA MET 81 HA MET 81 -4.174 11.900 -0.649 663 HB2 MET 81 HB1 MET 81 -1.583 11.417 -1.048 664 HB3 MET 81 HB2 MET 81 -2.051 11.738 -2.734 665 HG2 MET 81 HG1 MET 81 -3.307 13.798 -1.763 666 HG3 MET 81 HG2 MET 81 -2.324 13.539 -0.313 667 HE1 MET 81 HE1 MET 81 -0.895 14.785 -4.482 668 HE2 MET 81 HE2 MET 81 -1.654 13.206 -4.149 669 HE3 MET 81 HE3 MET 81 -2.586 14.705 -3.921 670 H ALA 82 H ALA 82 -4.484 9.357 -2.934 671 HA ALA 82 HA ALA 82 -5.690 10.791 -5.072 672 HB1 ALA 82 HB1 ALA 82 -6.465 8.561 -5.782 673 HB2 ALA 82 HB2 ALA 82 -4.756 8.533 -5.287 674 HB3 ALA 82 HB3 ALA 82 -6.010 7.899 -4.193 675 H TYR 83 H TYR 83 -6.892 10.275 -1.924 676 HA TYR 83 HA TYR 83 -9.263 11.746 -2.339 677 HB2 TYR 83 HB1 TYR 83 -11.005 10.133 -1.939 678 HB3 TYR 83 HB2 TYR 83 -10.093 9.665 -3.383 679 HD1 TYR 83 HD1 TYR 83 -8.266 7.796 -3.072 680 HD2 TYR 83 HD2 TYR 83 -11.440 8.572 -0.268 681 HE1 TYR 83 HE1 TYR 83 -7.776 5.645 -1.929 682 HE2 TYR 83 HE2 TYR 83 -10.952 6.431 0.888 683 HH TYR 83 HH TYR 83 -9.670 4.515 0.890 684 H ASN 84 H ASN 84 -8.975 12.971 -0.438 685 HA ASN 84 HA ASN 84 -9.167 11.546 2.061 686 HB2 ASN 84 HB1 ASN 84 -7.062 12.166 3.052 687 HB3 ASN 84 HB2 ASN 84 -6.846 11.145 1.613 688 HD21 ASN 84 HD21 ASN 84 -4.597 12.052 2.101 689 HD22 ASN 84 HD22 ASN 84 -4.157 13.519 1.250 690 H ASP 85 H ASP 85 -10.894 13.324 1.183 691 HA ASP 85 HA ASP 85 -10.751 15.970 1.997 692 HB2 ASP 85 HB1 ASP 85 -13.239 15.784 2.151 693 HB3 ASP 85 HB2 ASP 85 -12.560 15.081 0.668 694 H PHE 86 H PHE 86 -11.213 13.133 4.073 695 HA PHE 86 HA PHE 86 -12.027 14.406 6.447 696 HB2 PHE 86 HB1 PHE 86 -10.560 11.859 5.775 697 HB3 PHE 86 HB2 PHE 86 -10.814 12.326 7.465 698 HD1 PHE 86 HD1 PHE 86 -12.590 11.508 4.273 699 HD2 PHE 86 HD2 PHE 86 -12.916 12.014 8.537 700 HE1 PHE 86 HE1 PHE 86 -14.884 10.559 4.213 701 HE2 PHE 86 HE2 PHE 86 -15.211 11.061 8.475 702 HZ PHE 86 HZ PHE 86 -16.192 10.325 6.312 703 H PHE 87 H PHE 87 -8.943 14.817 4.918 704 HA PHE 87 HA PHE 87 -7.799 15.766 7.498 705 HB2 PHE 87 HB1 PHE 87 -6.203 15.198 4.998 706 HB3 PHE 87 HB2 PHE 87 -5.622 15.385 6.661 707 HD1 PHE 87 HD1 PHE 87 -7.490 13.479 8.117 708 HD2 PHE 87 HD2 PHE 87 -5.287 13.130 4.442 709 HE1 PHE 87 HE1 PHE 87 -7.789 11.014 8.172 710 HE2 PHE 87 HE2 PHE 87 -5.605 10.673 4.480 711 HZ PHE 87 HZ PHE 87 -6.922 9.615 6.305 712 H LEU 88 H LEU 88 -9.332 17.013 4.794 713 HA LEU 88 HA LEU 88 -7.715 19.469 4.670 714 HB2 LEU 88 HB1 LEU 88 -9.959 18.270 3.074 715 HB3 LEU 88 HB2 LEU 88 -9.602 20.008 2.945 716 HG LEU 88 HG LEU 88 -8.545 18.858 1.160 717 HD11 LEU 88 HD11 LEU 88 -6.166 19.488 1.420 718 HD12 LEU 88 HD12 LEU 88 -7.253 20.718 2.091 719 HD13 LEU 88 HD13 LEU 88 -6.399 19.594 3.174 720 HD21 LEU 88 HD21 LEU 88 -6.815 17.122 1.392 721 HD22 LEU 88 HD22 LEU 88 -7.070 17.123 3.147 722 HD23 LEU 88 HD23 LEU 88 -8.375 16.600 2.054 723 H GLU 89 H GLU 89 -9.532 21.403 4.257 724 HA GLU 89 HA GLU 89 -10.829 21.791 6.925 725 HB2 GLU 89 HB1 GLU 89 -8.585 23.032 5.955 726 HB3 GLU 89 HB2 GLU 89 -9.852 24.130 5.358 727 HG2 GLU 89 HG1 GLU 89 -9.385 25.081 7.412 728 HG3 GLU 89 HG2 GLU 89 -10.720 23.991 7.847 729 H ASP 90 H ASP 90 -12.028 20.916 4.216 730 HA ASP 90 HA ASP 90 -13.784 22.966 3.257 731 HB2 ASP 90 HB1 ASP 90 -11.791 24.228 2.895 732 HB3 ASP 90 HB2 ASP 90 -10.957 22.832 2.177 733 H ASN 91 H ASN 91 -11.476 20.724 1.715 734 HA ASN 91 HA ASN 91 -12.795 18.466 1.027 735 HB2 ASN 91 HB1 ASN 91 -14.673 19.518 0.032 736 HB3 ASN 91 HB2 ASN 91 -13.663 20.700 -0.826 737 HD21 ASN 91 HD21 ASN 91 -12.345 19.888 -2.669 738 HD22 ASN 91 HD22 ASN 91 -12.940 18.514 -3.589 739 H LYS 92 H LYS 92 -11.191 21.189 -0.574 740 HA LYS 92 HA LYS 92 -8.772 19.545 -1.088 741 HB2 LYS 92 HB1 LYS 92 -8.253 21.267 -2.882 742 HB3 LYS 92 HB2 LYS 92 -9.502 20.046 -3.224 743 HG2 LYS 92 HG1 LYS 92 -9.832 22.450 -4.048 744 HG3 LYS 92 HG2 LYS 92 -11.196 21.591 -3.294 745 HD2 LYS 92 HD1 LYS 92 -11.181 23.905 -2.640 746 HD3 LYS 92 HD2 LYS 92 -10.867 22.854 -1.238 747 HE2 LYS 92 HE1 LYS 92 -8.318 23.520 -2.065 748 HE3 LYS 92 HE2 LYS 92 -9.234 25.008 -2.393 749 HZ1 LYS 92 HZ1 LYS 92 -8.398 24.957 -0.151 750 HZ2 LYS 92 HZ2 LYS 92 -10.048 24.929 -0.137 751 HZ3 LYS 92 HZ3 LYS 92 -9.198 23.549 0.169 752 HA MET 1 HA MET 1 -10.328 1.746 8.761 753 HB2 MET 1 HB1 MET 1 -13.106 1.113 9.727 754 HB3 MET 1 HB2 MET 1 -11.737 1.543 10.781 755 HG2 MET 1 HG1 MET 1 -12.783 3.300 8.545 756 HG3 MET 1 HG2 MET 1 -13.311 3.424 10.231 757 HE1 MET 1 HE1 MET 1 -10.201 5.917 8.402 758 HE2 MET 1 HE2 MET 1 -10.808 4.481 7.548 759 HE3 MET 1 HE3 MET 1 -11.951 5.692 8.179 760 H GLU 2 H GLU 2 -11.502 -0.348 10.909 761 HA GLU 2 HA GLU 2 -11.529 -2.541 11.383 762 HB2 GLU 2 HB1 GLU 2 -10.812 -3.012 8.478 763 HB3 GLU 2 HB2 GLU 2 -11.161 -4.297 9.659 764 HG2 GLU 2 HG1 GLU 2 -13.070 -3.851 8.200 765 HG3 GLU 2 HG2 GLU 2 -13.438 -3.504 9.903 766 H THR 3 H THR 3 -8.649 -1.543 9.496 767 HA THR 3 HA THR 3 -7.147 -3.714 10.859 768 HB THR 3 HB THR 3 -5.754 -3.817 8.766 769 HG1 THR 3 HG1 THR 3 -6.732 -2.879 6.938 770 HG21 THR 3 HG21 THR 3 -7.472 -5.099 7.536 771 HG22 THR 3 HG22 THR 3 -7.555 -5.426 9.284 772 HG23 THR 3 HG23 THR 3 -8.747 -4.343 8.523 773 HA PRO 4 HA PRO 4 -4.183 -1.024 12.325 774 HB2 PRO 4 HB1 PRO 4 -1.822 -2.406 12.378 775 HB3 PRO 4 HB2 PRO 4 -3.252 -2.855 13.365 776 HG2 PRO 4 HG1 PRO 4 -2.444 -3.992 10.676 777 HG3 PRO 4 HG2 PRO 4 -2.843 -4.901 12.170 778 HD2 PRO 4 HD1 PRO 4 -4.713 -4.475 10.249 779 HD3 PRO 4 HD2 PRO 4 -5.153 -4.329 11.978 780 H LEU 5 H LEU 5 -3.211 -2.204 9.036 781 HA LEU 5 HA LEU 5 -1.131 -0.170 8.856 782 HB2 LEU 5 HB1 LEU 5 -0.713 -2.199 7.766 783 HB3 LEU 5 HB2 LEU 5 -2.279 -2.165 6.922 784 HG LEU 5 HG LEU 5 -1.472 -0.202 5.601 785 HD11 LEU 5 HD11 LEU 5 0.960 0.299 5.583 786 HD12 LEU 5 HD12 LEU 5 0.250 0.623 7.182 787 HD13 LEU 5 HD13 LEU 5 1.204 -0.855 6.915 788 HD21 LEU 5 HD21 LEU 5 0.053 -1.533 4.165 789 HD22 LEU 5 HD22 LEU 5 0.287 -2.696 5.493 790 HD23 LEU 5 HD23 LEU 5 -1.314 -2.522 4.734 791 H GLU 6 H GLU 6 -4.405 -0.462 7.261 792 HA GLU 6 HA GLU 6 -5.058 2.105 6.649 793 HB2 GLU 6 HB1 GLU 6 -6.844 0.684 6.693 794 HB3 GLU 6 HB2 GLU 6 -6.300 -0.124 8.184 795 HG2 GLU 6 HG1 GLU 6 -8.314 0.796 8.773 796 HG3 GLU 6 HG2 GLU 6 -7.129 1.967 9.391 797 H LYS 7 H LYS 7 -4.535 0.984 10.076 798 HA LYS 7 HA LYS 7 -4.987 3.675 11.053 799 HB2 LYS 7 HB1 LYS 7 -5.000 1.065 12.158 800 HB3 LYS 7 HB2 LYS 7 -3.827 2.037 13.081 801 HG2 LYS 7 HG1 LYS 7 -6.112 2.091 14.053 802 HG3 LYS 7 HG2 LYS 7 -5.520 3.703 13.577 803 HD2 LYS 7 HD1 LYS 7 -7.061 2.349 11.457 804 HD3 LYS 7 HD2 LYS 7 -7.999 2.638 12.941 805 HE2 LYS 7 HE1 LYS 7 -7.795 4.947 12.787 806 HE3 LYS 7 HE2 LYS 7 -6.301 4.857 11.829 807 HZ1 LYS 7 HZ1 LYS 7 -8.150 5.625 10.525 808 HZ2 LYS 7 HZ2 LYS 7 -7.618 4.172 9.960 809 HZ3 LYS 7 HZ3 LYS 7 -9.005 4.254 10.850 810 H ALA 8 H ALA 8 -2.088 1.905 10.150 811 HA ALA 8 HA ALA 8 -0.172 3.662 11.363 812 HB1 ALA 8 HB1 ALA 8 1.364 2.514 9.809 813 HB2 ALA 8 HB2 ALA 8 0.292 1.351 10.627 814 HB3 ALA 8 HB3 ALA 8 -0.027 1.821 8.941 815 H LEU 9 H LEU 9 -1.629 3.545 8.044 816 HA LEU 9 HA LEU 9 -0.446 5.962 7.120 817 HB2 LEU 9 HB1 LEU 9 -2.797 4.274 6.393 818 HB3 LEU 9 HB2 LEU 9 -2.770 5.946 5.781 819 HG LEU 9 HG LEU 9 -1.865 4.244 4.202 820 HD11 LEU 9 HD11 LEU 9 0.123 5.556 3.523 821 HD12 LEU 9 HD12 LEU 9 -1.220 6.612 4.012 822 HD13 LEU 9 HD13 LEU 9 0.145 6.337 5.118 823 HD21 LEU 9 HD21 LEU 9 0.387 3.293 4.562 824 HD22 LEU 9 HD22 LEU 9 0.424 4.010 6.187 825 HD23 LEU 9 HD23 LEU 9 -0.761 2.740 5.799 826 H THR 10 H THR 10 -3.471 5.372 9.015 827 HA THR 10 HA THR 10 -4.180 8.091 9.303 828 HB THR 10 HB THR 10 -4.608 5.854 11.288 829 HG1 THR 10 HG1 THR 10 -6.646 5.823 10.210 830 HG21 THR 10 HG21 THR 10 -6.513 7.250 12.058 831 HG22 THR 10 HG22 THR 10 -4.970 8.101 12.282 832 HG23 THR 10 HG23 THR 10 -6.032 8.527 10.918 833 H THR 11 H THR 11 -1.837 6.182 11.334 834 HA THR 11 HA THR 11 -1.163 8.257 13.134 835 HB THR 11 HB THR 11 0.816 6.289 11.963 836 HG1 THR 11 HG1 THR 11 0.090 4.864 13.599 837 HG21 THR 11 HG21 THR 11 1.793 6.327 14.236 838 HG22 THR 11 HG22 THR 11 1.738 7.955 13.527 839 HG23 THR 11 HG23 THR 11 0.537 7.474 14.748 840 H MET 12 H MET 12 0.219 7.480 9.897 841 HA MET 12 HA MET 12 2.241 9.461 9.915 842 HB2 MET 12 HB1 MET 12 0.793 8.095 7.634 843 HB3 MET 12 HB2 MET 12 2.138 9.234 7.389 844 HG2 MET 12 HG1 MET 12 3.578 7.785 8.808 845 HG3 MET 12 HG2 MET 12 2.242 6.631 8.952 846 HE1 MET 12 HE1 MET 12 5.401 5.681 6.343 847 HE2 MET 12 HE2 MET 12 5.469 7.094 7.424 848 HE3 MET 12 HE3 MET 12 4.933 5.517 8.052 849 H VAL 13 H VAL 13 -1.123 9.651 8.556 850 HA VAL 13 HA VAL 13 -0.743 12.368 7.708 851 HB VAL 13 HB VAL 13 -3.126 12.501 7.289 852 HG11 VAL 13 HG11 VAL 13 -3.316 10.682 5.619 853 HG12 VAL 13 HG12 VAL 13 -1.694 11.407 5.610 854 HG13 VAL 13 HG13 VAL 13 -1.963 9.833 6.399 855 HG21 VAL 13 HG21 VAL 13 -4.646 10.604 7.725 856 HG22 VAL 13 HG22 VAL 13 -3.330 9.752 8.561 857 HG23 VAL 13 HG23 VAL 13 -3.978 11.268 9.233 858 H THR 14 H THR 14 -2.017 10.968 10.732 859 HA THR 14 HA THR 14 -2.986 13.403 11.877 860 HB THR 14 HB THR 14 -1.952 10.904 13.261 861 HG1 THR 14 HG1 THR 14 -4.195 10.389 13.218 862 HG21 THR 14 HG21 THR 14 -3.483 11.556 15.104 863 HG22 THR 14 HG22 THR 14 -2.248 12.801 14.830 864 HG23 THR 14 HG23 THR 14 -3.904 13.040 14.222 865 H THR 15 H THR 15 0.218 11.853 11.884 866 HA THR 15 HA THR 15 1.448 13.703 13.725 867 HB THR 15 HB THR 15 2.744 11.891 11.656 868 HG1 THR 15 HG1 THR 15 2.856 10.478 13.472 869 HG21 THR 15 HG21 THR 15 4.672 11.962 13.214 870 HG22 THR 15 HG22 THR 15 4.267 13.590 12.624 871 HG23 THR 15 HG23 THR 15 3.781 13.090 14.261 872 H PHE 16 H PHE 16 1.498 13.373 10.147 873 HA PHE 16 HA PHE 16 3.088 15.627 9.554 874 HB2 PHE 16 HB1 PHE 16 2.447 13.660 8.147 875 HB3 PHE 16 HB2 PHE 16 0.822 14.348 7.993 876 HD1 PHE 16 HD2 PHE 16 0.473 16.455 6.711 877 HD2 PHE 16 HD1 PHE 16 4.280 14.457 6.819 878 HE1 PHE 16 HE2 PHE 16 1.172 17.649 4.652 879 HE2 PHE 16 HE1 PHE 16 4.884 15.479 4.640 880 HZ PHE 16 HZ PHE 16 3.332 17.097 3.559 881 H HIS 17 H HIS 17 -0.437 15.420 10.120 882 HA HIS 17 HA HIS 17 -1.230 18.010 9.405 883 HB2 HIS 17 HB1 HIS 17 -2.736 16.139 9.923 884 HB3 HIS 17 HB2 HIS 17 -2.252 16.211 11.628 885 HD1 HIS 17 HD1 HIS 17 -3.508 18.000 13.115 886 HD2 HIS 17 HD2 HIS 17 -4.193 18.322 8.984 887 HE1 HIS 17 HE1 HIS 17 -5.322 19.773 12.818 888 HE2 HIS 17 HE2 HIS 17 -5.779 19.970 10.299 889 H LYS 18 H LYS 18 0.713 17.092 12.233 890 HA LYS 18 HA LYS 18 0.086 19.403 13.816 891 HB2 LYS 18 HB1 LYS 18 2.553 17.633 13.752 892 HB3 LYS 18 HB2 LYS 18 2.129 18.774 15.051 893 HG2 LYS 18 HG1 LYS 18 0.233 17.443 15.708 894 HG3 LYS 18 HG2 LYS 18 0.378 16.410 14.266 895 HD2 LYS 18 HD1 LYS 18 2.663 15.737 15.032 896 HD3 LYS 18 HD2 LYS 18 2.413 16.688 16.516 897 HE2 LYS 18 HE1 LYS 18 0.495 15.241 17.112 898 HE3 LYS 18 HE2 LYS 18 0.760 14.287 15.636 899 HZ1 LYS 18 HZ1 LYS 18 1.800 13.284 17.541 900 HZ2 LYS 18 HZ2 LYS 18 2.949 13.750 16.453 901 HZ3 LYS 18 HZ3 LYS 18 2.704 14.635 17.823 902 H TYR 19 H TYR 19 2.028 19.078 10.965 903 HA TYR 19 HA TYR 19 3.517 21.624 11.478 904 HB2 TYR 19 HB1 TYR 19 4.220 19.223 9.737 905 HB3 TYR 19 HB2 TYR 19 5.226 20.659 9.990 906 HD1 TYR 19 HD2 TYR 19 3.923 17.559 11.515 907 HD2 TYR 19 HD1 TYR 19 6.574 20.908 12.045 908 HE1 TYR 19 HE2 TYR 19 4.850 16.489 13.552 909 HE2 TYR 19 HE1 TYR 19 7.584 19.798 14.033 910 HH TYR 19 HH TYR 19 6.342 16.654 15.261 911 H SER 20 H SER 20 2.071 19.582 8.876 912 HA SER 20 HA SER 20 1.681 21.660 6.968 913 HB2 SER 20 HB1 SER 20 0.128 20.045 5.937 914 HB3 SER 20 HB2 SER 20 1.639 19.259 6.456 915 HG SER 20 HG SER 20 -0.232 18.061 7.029 916 H GLY 21 H GLY 21 -0.205 20.850 9.844 917 HA2 GLY 21 HA2 GLY 21 -1.808 22.707 8.837 918 H ARG 22 H ARG 22 0.516 23.502 9.656 919 HA ARG 22 HA ARG 22 -0.222 25.959 11.042 920 HB2 ARG 22 HB1 ARG 22 2.229 25.156 9.438 921 HB3 ARG 22 HB2 ARG 22 2.051 26.703 10.301 922 HG2 ARG 22 HG1 ARG 22 2.101 25.597 12.438 923 HG3 ARG 22 HG2 ARG 22 2.021 23.992 11.671 924 HD2 ARG 22 HD1 ARG 22 4.352 24.646 12.383 925 HD3 ARG 22 HD2 ARG 22 4.211 24.306 10.646 926 HE ARG 22 HE ARG 22 4.599 26.518 10.157 927 HH11 ARG 22 HH12 ARG 22 4.708 26.227 13.649 928 HH12 ARG 22 HH11 ARG 22 5.089 27.917 13.865 929 HH21 ARG 22 HH22 ARG 22 4.862 28.679 10.464 930 HH22 ARG 22 HH21 ARG 22 5.176 29.295 12.073 931 H GLU 23 H GLU 23 0.673 25.137 7.609 932 HA GLU 23 HA GLU 23 -0.163 27.791 6.665 933 HB2 GLU 23 HB1 GLU 23 2.732 26.956 7.077 934 HB3 GLU 23 HB2 GLU 23 2.262 28.198 5.893 935 HG2 GLU 23 HG1 GLU 23 1.895 29.779 7.484 936 HG3 GLU 23 HG2 GLU 23 1.270 28.606 8.665 937 H GLY 24 H GLY 24 -0.030 27.936 4.357 938 HA2 GLY 24 HA2 GLY 24 -0.455 27.233 2.725 939 H SER 25 H SER 25 -0.077 24.027 3.689 940 HA SER 25 HA SER 25 -2.894 23.706 3.277 941 HB2 SER 25 HB1 SER 25 -2.260 23.622 0.910 942 HB3 SER 25 HB2 SER 25 -1.021 22.394 1.262 943 HG SER 25 HG SER 25 -2.980 21.480 0.475 944 H LYS 26 H LYS 26 -3.651 21.766 4.215 945 HA LYS 26 HA LYS 26 -2.018 20.548 6.213 946 HB2 LYS 26 HB1 LYS 26 -4.767 19.863 5.102 947 HB3 LYS 26 HB2 LYS 26 -4.074 19.163 6.584 948 HG2 LYS 26 HG1 LYS 26 -4.293 21.133 7.785 949 HG3 LYS 26 HG2 LYS 26 -4.212 22.157 6.332 950 HD2 LYS 26 HD1 LYS 26 -6.431 22.378 6.879 951 HD3 LYS 26 HD2 LYS 26 -6.501 21.000 5.755 952 HE2 LYS 26 HE1 LYS 26 -7.912 20.383 7.527 953 HE3 LYS 26 HE2 LYS 26 -6.396 19.511 7.847 954 HZ1 LYS 26 HZ1 LYS 26 -7.260 20.545 9.815 955 HZ2 LYS 26 HZ2 LYS 26 -5.813 21.223 9.405 956 HZ3 LYS 26 HZ3 LYS 26 -7.219 22.034 9.107 957 H LEU 27 H LEU 27 -1.873 19.929 2.980 958 HA LEU 27 HA LEU 27 -1.061 17.101 3.299 959 HB2 LEU 27 HB1 LEU 27 -1.842 18.640 0.809 960 HB3 LEU 27 HB2 LEU 27 -1.346 16.931 0.864 961 HG LEU 27 HG LEU 27 -3.867 18.151 2.036 962 HD11 LEU 27 HD11 LEU 27 -4.949 16.702 0.336 963 HD12 LEU 27 HD12 LEU 27 -3.806 17.837 -0.424 964 HD13 LEU 27 HD13 LEU 27 -3.349 16.132 -0.195 965 HD21 LEU 27 HD21 LEU 27 -4.564 15.845 2.628 966 HD22 LEU 27 HD22 LEU 27 -2.976 15.240 2.114 967 HD23 LEU 27 HD23 LEU 27 -3.103 16.327 3.517 968 H THR 28 H THR 28 0.323 20.210 3.026 969 HA THR 28 HA THR 28 2.903 18.948 2.279 970 HB THR 28 HB THR 28 3.622 21.158 1.360 971 HG1 THR 28 HG1 THR 28 1.913 22.584 0.786 972 HG21 THR 28 HG21 THR 28 2.421 20.970 -0.802 973 HG22 THR 28 HG22 THR 28 2.884 19.373 -0.181 974 HG23 THR 28 HG23 THR 28 1.204 19.939 -0.026 975 H LEU 29 H LEU 29 4.847 19.919 3.264 976 HA LEU 29 HA LEU 29 4.420 21.892 5.394 977 HB2 LEU 29 HB1 LEU 29 5.217 20.739 7.186 978 HB3 LEU 29 HB2 LEU 29 4.259 19.497 6.341 979 HG LEU 29 HG LEU 29 7.284 19.740 6.373 980 HD11 LEU 29 HD11 LEU 29 7.169 17.615 7.654 981 HD12 LEU 29 HD12 LEU 29 6.295 18.919 8.491 982 HD13 LEU 29 HD13 LEU 29 5.392 17.677 7.592 983 HD21 LEU 29 HD21 LEU 29 7.295 17.574 5.172 984 HD22 LEU 29 HD22 LEU 29 5.520 17.624 5.077 985 HD23 LEU 29 HD23 LEU 29 6.494 18.839 4.214 986 H SER 30 H SER 30 6.707 22.651 6.323 987 HA SER 30 HA SER 30 8.175 23.259 3.888 988 HB2 SER 30 HB1 SER 30 9.584 24.725 5.316 989 HB3 SER 30 HB2 SER 30 7.841 25.089 5.320 990 HG SER 30 HG SER 30 8.778 25.189 7.413 991 H ARG 31 H ARG 31 10.506 23.047 3.540 992 HA ARG 31 HA ARG 31 11.099 20.241 3.905 993 HB2 ARG 31 HB1 ARG 31 11.313 21.288 1.783 994 HB3 ARG 31 HB2 ARG 31 12.436 22.508 2.432 995 HG2 ARG 31 HG1 ARG 31 14.200 20.944 2.609 996 HG3 ARG 31 HG2 ARG 31 13.102 19.556 2.418 997 HD2 ARG 31 HD1 ARG 31 12.553 20.362 0.109 998 HD3 ARG 31 HD2 ARG 31 13.745 21.665 0.308 999 HE ARG 31 HE ARG 31 15.502 19.981 0.386 1000 HH11 ARG 31 HH12 ARG 31 12.431 18.913 -0.983 1001 HH12 ARG 31 HH11 ARG 31 13.128 17.476 -1.689 1002 HH21 ARG 31 HH22 ARG 31 16.321 18.063 -0.433 1003 HH22 ARG 31 HH21 ARG 31 15.303 17.003 -1.379 1004 H LYS 32 H LYS 32 12.694 23.224 5.203 1005 HA LYS 32 HA LYS 32 14.585 21.792 6.791 1006 HB2 LYS 32 HB1 LYS 32 13.873 24.496 6.322 1007 HB3 LYS 32 HB2 LYS 32 13.773 24.238 8.080 1008 HG2 LYS 32 HG1 LYS 32 16.060 23.176 7.993 1009 HG3 LYS 32 HG2 LYS 32 16.155 23.627 6.273 1010 HD2 LYS 32 HD1 LYS 32 15.875 26.011 6.897 1011 HD3 LYS 32 HD2 LYS 32 15.822 25.545 8.613 1012 HE2 LYS 32 HE1 LYS 32 18.047 26.192 8.355 1013 HE3 LYS 32 HE2 LYS 32 18.143 24.433 8.121 1014 HZ1 LYS 32 HZ1 LYS 32 19.391 25.618 6.469 1015 HZ2 LYS 32 HZ2 LYS 32 18.140 24.809 5.764 1016 HZ3 LYS 32 HZ3 LYS 32 18.051 26.442 5.980 1017 H GLU 33 H GLU 33 11.149 22.262 7.202 1018 HA GLU 33 HA GLU 33 11.094 21.545 10.033 1019 HB2 GLU 33 HB1 GLU 33 9.576 23.166 9.180 1020 HB3 GLU 33 HB2 GLU 33 9.026 22.056 7.902 1021 HG2 GLU 33 HG1 GLU 33 7.937 20.655 9.618 1022 HG3 GLU 33 HG2 GLU 33 8.448 21.812 10.866 1023 H LEU 34 H LEU 34 10.315 19.799 6.914 1024 HA LEU 34 HA LEU 34 9.522 17.347 8.014 1025 HB2 LEU 34 HB1 LEU 34 9.494 17.722 5.631 1026 HB3 LEU 34 HB2 LEU 34 11.258 17.956 5.594 1027 HG LEU 34 HG LEU 34 11.580 15.602 6.267 1028 HD11 LEU 34 HD11 LEU 34 9.699 13.996 6.243 1029 HD12 LEU 34 HD12 LEU 34 9.478 15.236 7.496 1030 HD13 LEU 34 HD13 LEU 34 8.564 15.337 5.972 1031 HD21 LEU 34 HD21 LEU 34 10.891 14.532 4.148 1032 HD22 LEU 34 HD22 LEU 34 9.784 15.884 3.830 1033 HD23 LEU 34 HD23 LEU 34 11.542 16.161 3.870 1034 H LYS 35 H LYS 35 12.887 18.520 7.457 1035 HA LYS 35 HA LYS 35 14.339 16.434 8.632 1036 HB2 LYS 35 HB1 LYS 35 15.055 18.531 7.381 1037 HB3 LYS 35 HB2 LYS 35 14.854 19.408 8.918 1038 HG2 LYS 35 HG1 LYS 35 16.816 17.173 8.409 1039 HG3 LYS 35 HG2 LYS 35 17.186 18.912 8.365 1040 HD2 LYS 35 HD1 LYS 35 16.558 17.173 10.746 1041 HD3 LYS 35 HD2 LYS 35 18.020 18.130 10.414 1042 HE2 LYS 35 HE1 LYS 35 16.845 20.194 10.831 1043 HE3 LYS 35 HE2 LYS 35 15.288 19.345 10.941 1044 HZ1 LYS 35 HZ1 LYS 35 16.163 19.876 13.098 1045 HZ2 LYS 35 HZ2 LYS 35 16.099 18.241 12.899 1046 HZ3 LYS 35 HZ3 LYS 35 17.545 19.029 12.798 1047 H GLU 36 H GLU 36 12.536 19.087 10.225 1048 HA GLU 36 HA GLU 36 13.533 18.480 12.860 1049 HB2 GLU 36 HB1 GLU 36 12.858 20.743 11.948 1050 HB3 GLU 36 HB2 GLU 36 11.167 20.210 12.096 1051 HG2 GLU 36 HG1 GLU 36 11.805 21.528 14.032 1052 HG3 GLU 36 HG2 GLU 36 11.499 19.843 14.505 1053 H LEU 37 H LEU 37 10.382 17.840 11.203 1054 HA LEU 37 HA LEU 37 8.987 16.568 13.273 1055 HB2 LEU 37 HB1 LEU 37 8.153 17.226 11.023 1056 HB3 LEU 37 HB2 LEU 37 9.076 15.881 10.312 1057 HG LEU 37 HG LEU 37 6.835 15.507 12.316 1058 HD11 LEU 37 HD11 LEU 37 5.406 14.958 10.347 1059 HD12 LEU 37 HD12 LEU 37 6.008 16.628 10.254 1060 HD13 LEU 37 HD13 LEU 37 6.757 15.355 9.262 1061 HD21 LEU 37 HD21 LEU 37 6.708 13.191 11.423 1062 HD22 LEU 37 HD22 LEU 37 8.063 13.546 10.334 1063 HD23 LEU 37 HD23 LEU 37 8.313 13.536 12.097 1064 H ILE 38 H ILE 38 11.401 15.194 11.017 1065 HA ILE 38 HA ILE 38 11.167 12.492 11.852 1066 HB ILE 38 HB ILE 38 13.310 14.042 10.380 1067 HG12 ILE 38 HG13 ILE 38 11.363 11.955 9.337 1068 HG13 ILE 38 HG12 ILE 38 10.908 13.670 9.483 1069 HG21 ILE 38 HG21 ILE 38 14.250 11.871 9.644 1070 HG22 ILE 38 HG22 ILE 38 14.384 12.069 11.406 1071 HG23 ILE 38 HG23 ILE 38 13.119 11.020 10.721 1072 HD11 ILE 38 HD11 ILE 38 11.669 13.142 7.191 1073 HD12 ILE 38 HD12 ILE 38 12.767 14.291 7.986 1074 HD13 ILE 38 HD13 ILE 38 13.224 12.576 7.842 1075 H LYS 39 H LYS 39 12.916 15.120 13.387 1076 HA LYS 39 HA LYS 39 14.008 13.197 15.360 1077 HB2 LYS 39 HB1 LYS 39 14.761 15.987 14.460 1078 HB3 LYS 39 HB2 LYS 39 15.473 15.205 15.891 1079 HG2 LYS 39 HG1 LYS 39 15.479 13.762 13.248 1080 HG3 LYS 39 HG2 LYS 39 16.664 15.057 13.541 1081 HD2 LYS 39 HD1 LYS 39 17.633 12.913 13.994 1082 HD3 LYS 39 HD2 LYS 39 17.496 13.874 15.487 1083 HE2 LYS 39 HE1 LYS 39 17.122 11.604 16.037 1084 HE3 LYS 39 HE2 LYS 39 15.565 12.451 16.150 1085 HZ1 LYS 39 HZ1 LYS 39 15.345 10.323 15.099 1086 HZ2 LYS 39 HZ2 LYS 39 14.981 11.525 14.033 1087 HZ3 LYS 39 HZ3 LYS 39 16.428 10.738 13.930 1088 H LYS 40 H LYS 40 11.459 15.598 15.055 1089 HA LYS 40 HA LYS 40 11.029 15.805 17.901 1090 HB2 LYS 40 HB1 LYS 40 9.121 15.995 15.560 1091 HB3 LYS 40 HB2 LYS 40 8.658 16.274 17.255 1092 HG2 LYS 40 HG1 LYS 40 10.061 18.012 15.331 1093 HG3 LYS 40 HG2 LYS 40 8.880 18.400 16.604 1094 HD2 LYS 40 HD1 LYS 40 10.862 17.925 18.230 1095 HD3 LYS 40 HD2 LYS 40 11.870 18.165 16.783 1096 HE2 LYS 40 HE1 LYS 40 10.614 20.354 16.416 1097 HE3 LYS 40 HE2 LYS 40 9.905 20.126 18.028 1098 HZ1 LYS 40 HZ1 LYS 40 11.858 21.495 18.102 1099 HZ2 LYS 40 HZ2 LYS 40 12.121 20.093 18.929 1100 HZ3 LYS 40 HZ3 LYS 40 12.779 20.305 17.431 1101 H GLU 41 H GLU 41 10.116 13.435 15.387 1102 HA GLU 41 HA GLU 41 8.547 11.928 17.387 1103 HB2 GLU 41 HB1 GLU 41 7.529 12.680 14.628 1104 HB3 GLU 41 HB2 GLU 41 6.682 11.669 15.822 1105 HG2 GLU 41 HG1 GLU 41 7.168 13.835 17.360 1106 HG3 GLU 41 HG2 GLU 41 7.117 14.628 15.770 1107 H LEU 42 H LEU 42 11.016 11.576 15.007 1108 HA LEU 42 HA LEU 42 10.684 8.708 15.731 1109 HB2 LEU 42 HB1 LEU 42 11.090 9.712 13.163 1110 HB3 LEU 42 HB2 LEU 42 12.728 9.251 13.685 1111 HG LEU 42 HG LEU 42 11.558 7.077 14.542 1112 HD11 LEU 42 HD11 LEU 42 9.606 6.367 13.192 1113 HD12 LEU 42 HD12 LEU 42 9.240 7.818 14.150 1114 HD13 LEU 42 HD13 LEU 42 9.577 7.962 12.408 1115 HD21 LEU 42 HD21 LEU 42 11.897 5.958 12.363 1116 HD22 LEU 42 HD22 LEU 42 11.912 7.543 11.559 1117 HD23 LEU 42 HD23 LEU 42 13.201 7.113 12.711 1118 H CYS 43 H CYS 43 12.142 7.961 17.274 1119 HA CYS 43 HA CYS 43 14.798 9.230 17.476 1120 HB2 CYS 43 HB1 CYS 43 13.400 8.054 19.331 1121 HB3 CYS 43 HB2 CYS 43 13.974 6.539 18.592 1122 HG CYS 43 HG CYS 43 15.411 7.096 20.708 1123 H LEU 44 H LEU 44 16.372 6.928 17.529 1124 HA LEU 44 HA LEU 44 17.478 5.332 16.507 1125 HB2 LEU 44 HB1 LEU 44 15.211 4.970 14.559 1126 HB3 LEU 44 HB2 LEU 44 16.489 3.806 14.984 1127 HG LEU 44 HG LEU 44 14.211 4.703 16.758 1128 HD11 LEU 44 HD11 LEU 44 13.382 2.403 16.321 1129 HD12 LEU 44 HD12 LEU 44 13.578 3.317 14.806 1130 HD13 LEU 44 HD13 LEU 44 14.788 2.096 15.271 1131 HD21 LEU 44 HD21 LEU 44 14.826 2.874 18.292 1132 HD22 LEU 44 HD22 LEU 44 16.256 2.532 17.298 1133 HD23 LEU 44 HD23 LEU 44 16.118 4.082 18.161 1134 H GLY 45 H GLY 45 16.283 7.861 14.424 1135 HA2 GLY 45 HA2 GLY 45 18.547 7.414 13.141 1136 H GLU 46 H GLU 46 19.692 7.721 14.448 1137 HA GLU 46 HA GLU 46 21.315 10.020 14.080 1138 HB2 GLU 46 HB1 GLU 46 21.100 11.110 16.199 1139 HB3 GLU 46 HB2 GLU 46 19.522 11.086 15.376 1140 HG2 GLU 46 HG1 GLU 46 20.398 9.353 17.704 1141 HG3 GLU 46 HG2 GLU 46 19.211 10.676 17.735 1142 H MET 47 H MET 47 20.518 7.153 16.193 1143 HA MET 47 HA MET 47 23.169 6.619 17.020 1144 HB2 MET 47 HB1 MET 47 21.073 4.641 16.081 1145 HB3 MET 47 HB2 MET 47 22.565 4.225 16.956 1146 HG2 MET 47 HG1 MET 47 21.773 5.494 18.912 1147 HG3 MET 47 HG2 MET 47 20.289 5.920 18.042 1148 HE1 MET 47 HE1 MET 47 18.331 2.714 17.687 1149 HE2 MET 47 HE2 MET 47 18.322 4.497 17.677 1150 HE3 MET 47 HE3 MET 47 19.319 3.607 16.501 1151 H LYS 48 H LYS 48 21.671 6.247 13.851 1152 HA LYS 48 HA LYS 48 24.244 5.404 12.625 1153 HB2 LYS 48 HB1 LYS 48 21.354 5.645 11.728 1154 HB3 LYS 48 HB2 LYS 48 22.681 5.514 10.550 1155 HG2 LYS 48 HG1 LYS 48 21.700 3.356 10.866 1156 HG3 LYS 48 HG2 LYS 48 23.337 3.366 11.564 1157 HD2 LYS 48 HD1 LYS 48 21.601 2.057 12.856 1158 HD3 LYS 48 HD2 LYS 48 22.478 3.287 13.795 1159 HE2 LYS 48 HE1 LYS 48 20.666 4.734 13.864 1160 HE3 LYS 48 HE2 LYS 48 19.943 4.063 12.386 1161 HZ1 LYS 48 HZ1 LYS 48 18.658 3.532 14.322 1162 HZ2 LYS 48 HZ2 LYS 48 19.276 2.163 13.651 1163 HZ3 LYS 48 HZ3 LYS 48 19.946 2.785 15.023 1164 H GLU 49 H GLU 49 25.467 6.900 11.601 1165 HA GLU 49 HA GLU 49 24.380 9.607 10.954 1166 HB2 GLU 49 HB1 GLU 49 27.247 8.625 11.273 1167 HB3 GLU 49 HB2 GLU 49 26.744 10.297 10.934 1168 HG2 GLU 49 HG1 GLU 49 25.692 10.463 13.134 1169 HG3 GLU 49 HG2 GLU 49 26.072 8.761 13.474 1170 H SER 50 H SER 50 26.153 10.331 8.894 1171 HA SER 50 HA SER 50 27.277 9.872 6.977 1172 HB2 SER 50 HB1 SER 50 28.161 7.950 8.327 1173 HB3 SER 50 HB2 SER 50 26.924 6.923 7.562 1174 HG SER 50 HG SER 50 28.949 6.820 6.493 1175 H SER 51 H SER 51 25.383 6.899 6.359 1176 HA SER 51 HA SER 51 24.307 7.896 3.930 1177 HB2 SER 51 HB1 SER 51 22.992 5.724 5.586 1178 HB3 SER 51 HB2 SER 51 23.110 5.859 3.814 1179 HG SER 51 HG SER 51 24.537 4.277 4.683 1180 H ILE 52 H ILE 52 23.240 8.511 7.183 1181 HA ILE 52 HA ILE 52 20.650 9.490 6.161 1182 HB ILE 52 HB ILE 52 19.795 9.551 8.345 1183 HG12 ILE 52 HG13 ILE 52 21.046 8.567 10.307 1184 HG13 ILE 52 HG12 ILE 52 22.541 8.881 9.392 1185 HG21 ILE 52 HG21 ILE 52 19.919 7.132 8.930 1186 HG22 ILE 52 HG22 ILE 52 19.833 7.370 7.172 1187 HG23 ILE 52 HG23 ILE 52 21.390 6.977 7.943 1188 HD11 ILE 52 HD11 ILE 52 22.122 10.665 11.056 1189 HD12 ILE 52 HD12 ILE 52 22.040 11.289 9.398 1190 HD13 ILE 52 HD13 ILE 52 20.543 10.975 10.310 1191 H ASP 53 H ASP 53 23.766 10.716 7.050 1192 HA ASP 53 HA ASP 53 23.027 13.433 7.488 1193 HB2 ASP 53 HB1 ASP 53 25.257 13.453 7.755 1194 HB3 ASP 53 HB2 ASP 53 25.492 12.033 6.712 1195 H ASP 54 H ASP 54 23.758 11.640 4.395 1196 HA ASP 54 HA ASP 54 23.493 13.968 2.839 1197 HB2 ASP 54 HB1 ASP 54 24.582 11.733 2.207 1198 HB3 ASP 54 HB2 ASP 54 22.954 11.221 1.715 1199 H LEU 55 H LEU 55 21.004 11.735 3.918 1200 HA LEU 55 HA LEU 55 18.854 12.754 2.362 1201 HB2 LEU 55 HB1 LEU 55 18.823 11.487 5.116 1202 HB3 LEU 55 HB2 LEU 55 17.459 11.602 3.978 1203 HG LEU 55 HG LEU 55 20.004 9.990 3.586 1204 HD11 LEU 55 HD11 LEU 55 18.489 8.045 3.818 1205 HD12 LEU 55 HD12 LEU 55 18.462 9.062 5.278 1206 HD13 LEU 55 HD13 LEU 55 17.120 9.145 4.112 1207 HD21 LEU 55 HD21 LEU 55 18.914 9.094 1.557 1208 HD22 LEU 55 HD22 LEU 55 17.545 10.201 1.807 1209 HD23 LEU 55 HD23 LEU 55 19.160 10.851 1.438 1210 H MET 56 H MET 56 19.655 13.544 5.850 1211 HA MET 56 HA MET 56 17.723 15.651 5.954 1212 HB2 MET 56 HB1 MET 56 20.169 15.114 7.677 1213 HB3 MET 56 HB2 MET 56 18.902 16.306 8.058 1214 HG2 MET 56 HG1 MET 56 17.276 14.285 7.827 1215 HG3 MET 56 HG2 MET 56 18.733 13.297 8.013 1216 HE1 MET 56 HE1 MET 56 16.108 14.648 11.194 1217 HE2 MET 56 HE2 MET 56 16.021 15.379 9.571 1218 HE3 MET 56 HE3 MET 56 15.955 13.610 9.753 1219 H LYS 57 H LYS 57 21.205 15.665 5.346 1220 HA LYS 57 HA LYS 57 21.607 18.452 4.987 1221 HB2 LYS 57 HB1 LYS 57 23.256 16.707 5.516 1222 HB3 LYS 57 HB2 LYS 57 23.046 16.035 3.880 1223 HG2 LYS 57 HG1 LYS 57 23.908 18.878 4.134 1224 HG3 LYS 57 HG2 LYS 57 25.080 17.600 4.538 1225 HD2 LYS 57 HD1 LYS 57 23.703 18.121 1.898 1226 HD3 LYS 57 HD2 LYS 57 25.442 18.187 2.270 1227 HE2 LYS 57 HE1 LYS 57 23.683 15.737 2.014 1228 HE3 LYS 57 HE2 LYS 57 25.039 16.226 0.973 1229 HZ1 LYS 57 HZ1 LYS 57 25.643 14.435 2.437 1230 HZ2 LYS 57 HZ2 LYS 57 26.513 15.786 2.796 1231 HZ3 LYS 57 HZ3 LYS 57 25.256 15.333 3.762 1232 H SER 58 H SER 58 20.408 15.966 2.643 1233 HA SER 58 HA SER 58 20.299 17.812 0.437 1234 HB2 SER 58 HB1 SER 58 20.327 15.429 0.044 1235 HB3 SER 58 HB2 SER 58 18.840 15.210 0.997 1236 HG SER 58 HG SER 58 18.452 15.231 -1.265 1237 H LEU 59 H LEU 59 17.933 17.083 3.088 1238 HA LEU 59 HA LEU 59 15.833 18.665 1.983 1239 HB2 LEU 59 HB1 LEU 59 16.537 18.260 4.901 1240 HB3 LEU 59 HB2 LEU 59 15.009 18.923 4.275 1241 HG LEU 59 HG LEU 59 16.070 16.109 3.872 1242 HD11 LEU 59 HD11 LEU 59 14.140 15.466 5.288 1243 HD12 LEU 59 HD12 LEU 59 15.228 16.584 6.144 1244 HD13 LEU 59 HD13 LEU 59 13.697 17.182 5.458 1245 HD21 LEU 59 HD21 LEU 59 13.900 15.585 2.804 1246 HD22 LEU 59 HD22 LEU 59 13.434 17.294 2.927 1247 HD23 LEU 59 HD23 LEU 59 14.796 16.815 1.887 1248 H ASP 60 H ASP 60 18.501 19.527 4.157 1249 HA ASP 60 HA ASP 60 17.998 22.276 4.438 1250 HB2 ASP 60 HB1 ASP 60 19.349 20.959 5.955 1251 HB3 ASP 60 HB2 ASP 60 20.519 20.599 4.666 1252 H LYS 61 H LYS 61 19.328 20.734 1.517 1253 HA LYS 61 HA LYS 61 20.708 23.163 0.748 1254 HB2 LYS 61 HB1 LYS 61 19.786 20.951 -1.080 1255 HB3 LYS 61 HB2 LYS 61 20.950 22.243 -1.460 1256 HG2 LYS 61 HG1 LYS 61 21.388 20.048 0.562 1257 HG3 LYS 61 HG2 LYS 61 21.952 20.020 -1.126 1258 HD2 LYS 61 HD1 LYS 61 23.765 20.518 0.390 1259 HD3 LYS 61 HD2 LYS 61 23.431 21.896 -0.685 1260 HE2 LYS 61 HE1 LYS 61 24.016 22.591 1.605 1261 HE3 LYS 61 HE2 LYS 61 22.386 23.116 1.129 1262 HZ1 LYS 61 HZ1 LYS 61 22.428 22.253 3.354 1263 HZ2 LYS 61 HZ2 LYS 61 21.500 21.291 2.390 1264 HZ3 LYS 61 HZ3 LYS 61 23.012 20.805 2.832 1265 H ASN 62 H ASN 62 17.351 22.107 0.396 1266 HA ASN 62 HA ASN 62 16.885 24.458 -1.388 1267 HB2 ASN 62 HB1 ASN 62 15.320 21.879 -1.130 1268 HB3 ASN 62 HB2 ASN 62 14.840 23.267 -2.129 1269 HD21 ASN 62 HD21 ASN 62 14.821 21.510 -3.797 1270 HD22 ASN 62 HD22 ASN 62 16.318 21.167 -4.645 1271 H SER 63 H SER 63 15.155 22.611 1.298 1272 HA SER 63 HA SER 63 15.250 23.342 3.426 1273 HB2 SER 63 HB1 SER 63 17.325 24.523 2.748 1274 HB3 SER 63 HB2 SER 63 16.352 25.969 2.389 1275 HG SER 63 HG SER 63 17.247 26.000 4.496 1276 H ASP 64 H ASP 64 14.254 26.367 1.699 1277 HA ASP 64 HA ASP 64 12.149 26.641 3.801 1278 HB2 ASP 64 HB1 ASP 64 13.919 28.689 2.450 1279 HB3 ASP 64 HB2 ASP 64 12.476 29.120 3.393 1280 H GLN 65 H GLN 65 11.487 25.071 2.052 1281 HA GLN 65 HA GLN 65 9.708 26.264 -0.003 1282 HB2 GLN 65 HB1 GLN 65 11.722 23.994 -0.344 1283 HB3 GLN 65 HB2 GLN 65 10.534 24.517 -1.563 1284 HG2 GLN 65 HG1 GLN 65 12.745 26.314 -0.542 1285 HG3 GLN 65 HG2 GLN 65 12.945 25.224 -1.932 1286 HE21 GLN 65 HE12 GLN 65 11.172 28.120 -0.756 1287 HE22 GLN 65 HE22 GLN 65 10.729 28.681 -2.351 1288 H GLU 66 H GLU 66 8.070 24.610 -0.670 1289 HA GLU 66 HA GLU 66 7.397 22.975 1.656 1290 HB2 GLU 66 HB1 GLU 66 5.637 23.415 -0.755 1291 HB3 GLU 66 HB2 GLU 66 5.169 22.880 0.878 1292 HG2 GLU 66 HG1 GLU 66 4.501 25.049 1.052 1293 HG3 GLU 66 HG2 GLU 66 6.204 25.288 1.498 1294 H ILE 67 H ILE 67 6.834 20.901 1.690 1295 HA ILE 67 HA ILE 67 7.541 19.126 -0.598 1296 HB ILE 67 HB ILE 67 8.255 19.126 2.315 1297 HG12 ILE 67 HG13 ILE 67 9.616 18.192 -0.240 1298 HG13 ILE 67 HG12 ILE 67 9.867 19.750 0.585 1299 HG21 ILE 67 HG21 ILE 67 8.624 16.693 2.369 1300 HG22 ILE 67 HG22 ILE 67 6.902 17.088 2.167 1301 HG23 ILE 67 HG23 ILE 67 7.861 16.544 0.769 1302 HD11 ILE 67 HD11 ILE 67 11.733 18.188 1.045 1303 HD12 ILE 67 HD12 ILE 67 10.829 18.570 2.524 1304 HD13 ILE 67 HD13 ILE 67 10.577 17.012 1.701 1305 H ASP 68 H ASP 68 6.052 17.556 -1.141 1306 HA ASP 68 HA ASP 68 3.561 17.328 0.375 1307 HB2 ASP 68 HB1 ASP 68 2.618 16.568 -1.507 1308 HB3 ASP 68 HB2 ASP 68 4.076 17.209 -2.292 1309 H PHE 69 H PHE 69 2.644 15.297 0.928 1310 HA PHE 69 HA PHE 69 3.818 13.749 2.800 1311 HB2 PHE 69 HB1 PHE 69 1.558 13.529 0.906 1312 HB3 PHE 69 HB2 PHE 69 2.092 11.978 1.577 1313 HD1 PHE 69 HD1 PHE 69 2.216 11.731 4.106 1314 HD2 PHE 69 HD2 PHE 69 0.092 14.926 2.147 1315 HE1 PHE 69 HE1 PHE 69 0.892 12.112 6.174 1316 HE2 PHE 69 HE2 PHE 69 -1.284 15.251 4.194 1317 HZ PHE 69 HZ PHE 69 -0.864 13.876 6.211 1318 H LYS 70 H LYS 70 4.461 13.252 -0.665 1319 HA LYS 70 HA LYS 70 5.213 10.483 -0.499 1320 HB2 LYS 70 HB1 LYS 70 4.412 11.836 -2.493 1321 HB3 LYS 70 HB2 LYS 70 6.012 12.615 -2.510 1322 HG2 LYS 70 HG1 LYS 70 7.070 10.409 -2.867 1323 HG3 LYS 70 HG2 LYS 70 5.462 9.647 -2.875 1324 HD2 LYS 70 HD1 LYS 70 4.795 10.919 -4.839 1325 HD3 LYS 70 HD2 LYS 70 6.269 11.914 -4.758 1326 HE2 LYS 70 HE1 LYS 70 7.648 9.871 -5.064 1327 HE3 LYS 70 HE2 LYS 70 6.166 8.897 -5.180 1328 HZ1 LYS 70 HZ1 LYS 70 7.047 9.437 -7.333 1329 HZ2 LYS 70 HZ2 LYS 70 5.574 10.149 -7.128 1330 HZ3 LYS 70 HZ3 LYS 70 6.948 11.052 -7.020 1331 H GLU 71 H GLU 71 7.142 13.575 -0.654 1332 HA GLU 71 HA GLU 71 9.645 12.220 -0.463 1333 HB2 GLU 71 HB1 GLU 71 8.952 15.012 0.463 1334 HB3 GLU 71 HB2 GLU 71 10.595 14.331 0.381 1335 HG2 GLU 71 HG1 GLU 71 9.519 13.926 -2.184 1336 HG3 GLU 71 HG2 GLU 71 8.987 15.556 -1.714 1337 H TYR 72 H TYR 72 7.302 13.383 1.951 1338 HA TYR 72 HA TYR 72 8.863 12.860 4.277 1339 HB2 TYR 72 HB1 TYR 72 7.061 14.229 4.606 1340 HB3 TYR 72 HB2 TYR 72 5.988 13.254 3.589 1341 HD1 TYR 72 HD2 TYR 72 7.704 13.188 6.947 1342 HD2 TYR 72 HD1 TYR 72 4.367 11.903 4.556 1343 HE1 TYR 72 HE2 TYR 72 6.503 12.490 9.001 1344 HE2 TYR 72 HE1 TYR 72 3.138 11.242 6.612 1345 HH TYR 72 HH TYR 72 4.579 11.687 9.897 1346 H SER 73 H SER 73 6.614 10.703 2.460 1347 HA SER 73 HA SER 73 7.078 8.523 4.286 1348 HB2 SER 73 HB1 SER 73 5.697 7.208 2.810 1349 HB3 SER 73 HB2 SER 73 4.958 8.794 3.139 1350 HG SER 73 HG SER 73 4.819 8.187 0.935 1351 H VAL 74 H VAL 74 8.478 9.199 0.941 1352 HA VAL 74 HA VAL 74 10.026 6.808 1.068 1353 HB VAL 74 HB VAL 74 11.562 7.678 -0.534 1354 HG11 VAL 74 HG11 VAL 74 10.031 8.041 -2.417 1355 HG12 VAL 74 HG12 VAL 74 9.453 6.768 -1.322 1356 HG13 VAL 74 HG13 VAL 74 8.719 8.389 -1.272 1357 HG21 VAL 74 HG21 VAL 74 11.427 9.904 -1.557 1358 HG22 VAL 74 HG22 VAL 74 10.179 10.355 -0.381 1359 HG23 VAL 74 HG23 VAL 74 11.830 9.983 0.168 1360 H PHE 75 H PHE 75 10.593 10.047 2.518 1361 HA PHE 75 HA PHE 75 13.349 9.555 3.135 1362 HB2 PHE 75 HB1 PHE 75 12.096 11.786 3.073 1363 HB3 PHE 75 HB2 PHE 75 11.477 11.361 4.676 1364 HD1 PHE 75 HD1 PHE 75 13.472 10.573 6.408 1365 HD2 PHE 75 HD2 PHE 75 13.934 13.091 2.946 1366 HE1 PHE 75 HE1 PHE 75 15.573 11.502 7.365 1367 HE2 PHE 75 HE2 PHE 75 16.042 13.986 3.887 1368 HZ PHE 75 HZ PHE 75 16.853 13.215 6.101 1369 H LEU 76 H LEU 76 10.344 9.287 5.181 1370 HA LEU 76 HA LEU 76 11.586 8.192 7.461 1371 HB2 LEU 76 HB1 LEU 76 8.835 7.820 6.253 1372 HB3 LEU 76 HB2 LEU 76 9.305 7.082 7.803 1373 HG LEU 76 HG LEU 76 9.385 10.066 7.257 1374 HD11 LEU 76 HD11 LEU 76 7.258 10.146 8.523 1375 HD12 LEU 76 HD12 LEU 76 7.089 9.168 7.045 1376 HD13 LEU 76 HD13 LEU 76 7.253 8.367 8.626 1377 HD21 LEU 76 HD21 LEU 76 9.463 10.255 9.725 1378 HD22 LEU 76 HD22 LEU 76 9.472 8.482 9.858 1379 HD23 LEU 76 HD23 LEU 76 10.846 9.326 9.105 1380 H THR 77 H THR 77 10.354 6.558 4.532 1381 HA THR 77 HA THR 77 10.918 3.877 5.292 1382 HB THR 77 HB THR 77 10.775 5.123 2.526 1383 HG1 THR 77 HG1 THR 77 8.612 4.376 2.718 1384 HG21 THR 77 HG21 THR 77 10.132 2.839 1.797 1385 HG22 THR 77 HG22 THR 77 11.765 2.849 2.502 1386 HG23 THR 77 HG23 THR 77 10.387 2.244 3.453 1387 H MET 78 H MET 78 12.879 6.217 3.394 1388 HA MET 78 HA MET 78 15.135 4.564 2.935 1389 HB2 MET 78 HB1 MET 78 14.450 6.788 1.866 1390 HB3 MET 78 HB2 MET 78 15.123 7.576 3.311 1391 HG2 MET 78 HG1 MET 78 16.971 7.677 1.995 1392 HG3 MET 78 HG2 MET 78 17.230 6.060 2.670 1393 HE1 MET 78 HE1 MET 78 16.040 7.272 -1.567 1394 HE2 MET 78 HE2 MET 78 15.124 7.815 -0.136 1395 HE3 MET 78 HE3 MET 78 16.836 8.263 -0.316 1396 H LEU 79 H LEU 79 14.334 6.754 5.643 1397 HA LEU 79 HA LEU 79 16.857 6.518 6.985 1398 HB2 LEU 79 HB1 LEU 79 15.338 8.403 7.277 1399 HB3 LEU 79 HB2 LEU 79 14.097 7.324 7.955 1400 HG LEU 79 HG LEU 79 15.474 6.875 9.902 1401 HD11 LEU 79 HD11 LEU 79 17.660 7.990 10.241 1402 HD12 LEU 79 HD12 LEU 79 17.695 6.920 8.820 1403 HD13 LEU 79 HD13 LEU 79 17.560 8.682 8.605 1404 HD21 LEU 79 HD21 LEU 79 15.508 9.151 10.869 1405 HD22 LEU 79 HD22 LEU 79 15.381 9.848 9.235 1406 HD23 LEU 79 HD23 LEU 79 14.039 8.885 9.899 1407 H CYS 80 H CYS 80 13.669 4.883 7.559 1408 HA CYS 80 HA CYS 80 14.544 3.001 9.452 1409 HB2 CYS 80 HB1 CYS 80 12.197 3.509 8.593 1410 HB3 CYS 80 HB2 CYS 80 12.582 2.481 7.189 1411 HG CYS 80 HG CYS 80 11.114 1.142 8.897 1412 H MET 81 H MET 81 14.825 2.869 5.880 1413 HA MET 81 HA MET 81 16.069 0.332 5.669 1414 HB2 MET 81 HB1 MET 81 14.849 1.717 3.941 1415 HB3 MET 81 HB2 MET 81 16.347 2.666 3.779 1416 HG2 MET 81 HG1 MET 81 17.446 0.309 3.377 1417 HG3 MET 81 HG2 MET 81 15.790 -0.180 2.982 1418 HE1 MET 81 HE1 MET 81 18.330 3.004 0.910 1419 HE2 MET 81 HE2 MET 81 17.711 3.156 2.577 1420 HE3 MET 81 HE3 MET 81 18.875 1.870 2.177 1421 H ALA 82 H ALA 82 17.424 3.255 6.959 1422 HA ALA 82 HA ALA 82 20.140 2.379 6.473 1423 HB1 ALA 82 HB1 ALA 82 20.772 4.234 7.953 1424 HB2 ALA 82 HB2 ALA 82 19.619 4.747 6.700 1425 HB3 ALA 82 HB3 ALA 82 19.060 4.482 8.370 1426 H TYR 83 H TYR 83 17.816 0.936 8.419 1427 HA TYR 83 HA TYR 83 19.712 -0.520 9.973 1428 HB2 TYR 83 HB1 TYR 83 18.967 0.285 12.237 1429 HB3 TYR 83 HB2 TYR 83 19.961 1.414 11.301 1430 HD1 TYR 83 HD1 TYR 83 16.573 0.767 12.669 1431 HD2 TYR 83 HD2 TYR 83 19.107 3.532 10.558 1432 HE1 TYR 83 HE1 TYR 83 14.798 2.507 12.806 1433 HE2 TYR 83 HE2 TYR 83 17.475 5.353 10.969 1434 HH TYR 83 HH TYR 83 15.301 5.838 11.566 1435 H ASN 84 H ASN 84 16.965 -0.804 8.426 1436 HA ASN 84 HA ASN 84 15.148 -1.865 10.381 1437 HB2 ASN 84 HB1 ASN 84 13.650 -2.270 8.539 1438 HB3 ASN 84 HB2 ASN 84 14.358 -0.644 8.436 1439 HD21 ASN 84 HD21 ASN 84 13.086 -2.321 6.328 1440 HD22 ASN 84 HD22 ASN 84 14.286 -2.437 5.051 1441 H ASP 85 H ASP 85 17.595 -3.397 10.478 1442 HA ASP 85 HA ASP 85 16.685 -6.079 9.769 1443 HB2 ASP 85 HB1 ASP 85 19.127 -5.094 10.266 1444 HB3 ASP 85 HB2 ASP 85 18.729 -5.667 11.901 1445 H PHE 86 H PHE 86 16.951 -7.525 12.152 1446 HA PHE 86 HA PHE 86 15.658 -8.454 13.734 1447 HB2 PHE 86 HB1 PHE 86 15.911 -6.221 14.895 1448 HB3 PHE 86 HB2 PHE 86 14.321 -5.789 14.244 1449 HD1 PHE 86 HD2 PHE 86 16.140 -7.972 16.621 1450 HD2 PHE 86 HD1 PHE 86 12.278 -6.796 15.126 1451 HE1 PHE 86 HE2 PHE 86 15.054 -9.080 18.562 1452 HE2 PHE 86 HE1 PHE 86 11.191 -7.916 17.058 1453 HZ PHE 86 HZ PHE 86 12.574 -9.052 18.782 1454 H PHE 87 H PHE 87 13.810 -6.224 11.628 1455 HA PHE 87 HA PHE 87 11.729 -8.153 11.046 1456 HB2 PHE 87 HB1 PHE 87 12.686 -5.883 9.286 1457 HB3 PHE 87 HB2 PHE 87 11.064 -6.587 9.389 1458 HD1 PHE 87 HD1 PHE 87 9.869 -6.330 11.770 1459 HD2 PHE 87 HD2 PHE 87 13.124 -3.879 10.377 1460 HE1 PHE 87 HE1 PHE 87 9.255 -4.571 13.415 1461 HE2 PHE 87 HE2 PHE 87 12.512 -2.124 12.023 1462 HZ PHE 87 HZ PHE 87 10.572 -2.462 13.539 1463 H LEU 88 H LEU 88 15.056 -7.974 10.274 1464 HA LEU 88 HA LEU 88 14.800 -9.699 7.919 1465 HB2 LEU 88 HB1 LEU 88 16.558 -7.624 8.580 1466 HB3 LEU 88 HB2 LEU 88 17.530 -9.115 8.610 1467 HG LEU 88 HG LEU 88 15.596 -8.609 6.363 1468 HD11 LEU 88 HD11 LEU 88 17.374 -7.570 4.995 1469 HD12 LEU 88 HD12 LEU 88 16.970 -6.575 6.409 1470 HD13 LEU 88 HD13 LEU 88 18.448 -7.567 6.408 1471 HD21 LEU 88 HD21 LEU 88 17.200 -10.028 5.118 1472 HD22 LEU 88 HD22 LEU 88 18.257 -10.076 6.545 1473 HD23 LEU 88 HD23 LEU 88 16.644 -10.827 6.606 1474 H GLU 89 H GLU 89 17.629 -10.748 9.294 1475 HA GLU 89 HA GLU 89 16.746 -13.082 10.649 1476 HB2 GLU 89 HB1 GLU 89 15.232 -13.389 8.790 1477 HB3 GLU 89 HB2 GLU 89 16.541 -13.101 7.618 1478 HG2 GLU 89 HG1 GLU 89 17.568 -15.281 8.417 1479 HG3 GLU 89 HG2 GLU 89 16.051 -15.572 9.293 1480 H ASP 90 H ASP 90 18.644 -11.883 7.941 1481 HA ASP 90 HA ASP 90 21.254 -12.595 8.521 1482 HB2 ASP 90 HB1 ASP 90 20.796 -14.907 8.642 1483 HB3 ASP 90 HB2 ASP 90 19.662 -14.846 7.276 1484 H ASN 91 H ASN 91 22.523 -11.756 6.814 1485 HA ASN 91 HA ASN 91 20.843 -9.901 5.321 1486 HB2 ASN 91 HB1 ASN 91 23.833 -9.946 5.779 1487 HB3 ASN 91 HB2 ASN 91 22.939 -8.650 4.955 1488 HD21 ASN 91 HD21 ASN 91 20.674 -8.401 6.618 1489 HD22 ASN 91 HD22 ASN 91 21.186 -7.853 8.204 1490 H LYS 92 H LYS 92 19.973 -11.245 3.758 1491 HA LYS 92 HA LYS 92 21.536 -11.995 1.433 1492 HB2 LYS 92 HB1 LYS 92 18.588 -11.568 1.942 1493 HB3 LYS 92 HB2 LYS 92 19.234 -11.921 0.321 1494 HG2 LYS 92 HG1 LYS 92 18.441 -13.970 1.197 1495 HG3 LYS 92 HG2 LYS 92 20.218 -14.032 1.282 1496 HD2 LYS 92 HD1 LYS 92 20.181 -13.660 3.674 1497 HD3 LYS 92 HD2 LYS 92 18.426 -13.363 3.647 1498 HE2 LYS 92 HE1 LYS 92 18.053 -15.682 2.852 1499 HE3 LYS 92 HE2 LYS 92 19.805 -15.976 2.901 1500 HZ1 LYS 92 HZ1 LYS 92 18.712 -16.786 4.860 1501 HZ2 LYS 92 HZ2 LYS 92 19.744 -15.562 5.252 1502 HZ3 LYS 92 HZ3 LYS 92 18.119 -15.288 5.208 Start of MODEL 15 1 HA MET 1 HA MET 1 13.223 1.949 17.671 2 HB2 MET 1 HB1 MET 1 14.796 2.546 19.648 3 HB3 MET 1 HB2 MET 1 13.338 2.428 20.661 4 HG2 MET 1 HG1 MET 1 13.033 0.103 19.592 5 HG3 MET 1 HG2 MET 1 14.714 0.273 19.061 6 HE1 MET 1 HE1 MET 1 15.871 0.974 23.139 7 HE2 MET 1 HE2 MET 1 16.293 1.543 21.512 8 HE3 MET 1 HE3 MET 1 14.794 2.101 22.293 9 H GLU 2 H GLU 2 11.284 4.029 19.750 10 HA GLU 2 HA GLU 2 9.450 1.832 20.531 11 HB2 GLU 2 HB1 GLU 2 9.555 2.745 22.817 12 HB3 GLU 2 HB2 GLU 2 11.157 2.213 22.251 13 HG2 GLU 2 HG1 GLU 2 10.285 5.118 22.217 14 HG3 GLU 2 HG2 GLU 2 11.071 4.362 23.620 15 H THR 3 H THR 3 9.550 4.636 18.853 16 HA THR 3 HA THR 3 7.846 6.345 20.526 17 HB THR 3 HB THR 3 8.534 8.094 19.002 18 HG1 THR 3 HG1 THR 3 9.767 7.466 17.184 19 HG21 THR 3 HG21 THR 3 10.993 7.999 19.153 20 HG22 THR 3 HG22 THR 3 10.227 7.488 20.672 21 HG23 THR 3 HG23 THR 3 10.895 6.272 19.557 22 HA PRO 4 HA PRO 4 4.127 5.878 18.582 23 HB2 PRO 4 HB1 PRO 4 2.897 8.263 18.054 24 HB3 PRO 4 HB2 PRO 4 3.321 7.703 19.704 25 HG2 PRO 4 HG1 PRO 4 4.876 9.584 17.930 26 HG3 PRO 4 HG2 PRO 4 4.461 9.793 19.663 27 HD2 PRO 4 HD1 PRO 4 6.890 8.839 18.835 28 HD3 PRO 4 HD2 PRO 4 6.100 8.228 20.320 29 H LEU 5 H LEU 5 5.721 8.242 16.251 30 HA LEU 5 HA LEU 5 4.165 7.263 14.047 31 HB2 LEU 5 HB1 LEU 5 5.341 9.375 13.882 32 HB3 LEU 5 HB2 LEU 5 6.907 8.560 14.099 33 HG LEU 5 HG LEU 5 5.281 7.475 11.895 34 HD11 LEU 5 HD11 LEU 5 5.699 9.300 10.292 35 HD12 LEU 5 HD12 LEU 5 4.642 9.820 11.620 36 HD13 LEU 5 HD13 LEU 5 6.358 10.295 11.609 37 HD21 LEU 5 HD21 LEU 5 7.431 7.567 10.674 38 HD22 LEU 5 HD22 LEU 5 8.139 8.507 12.005 39 HD23 LEU 5 HD23 LEU 5 7.621 6.826 12.278 40 H GLU 6 H GLU 6 7.234 6.119 15.524 41 HA GLU 6 HA GLU 6 7.933 4.289 13.497 42 HB2 GLU 6 HB1 GLU 6 9.280 5.044 15.472 43 HB3 GLU 6 HB2 GLU 6 8.327 3.920 16.469 44 HG2 GLU 6 HG1 GLU 6 9.234 2.027 15.432 45 HG3 GLU 6 HG2 GLU 6 9.729 2.932 13.985 46 H LYS 7 H LYS 7 5.401 3.948 16.030 47 HA LYS 7 HA LYS 7 4.794 1.241 15.524 48 HB2 LYS 7 HB1 LYS 7 2.718 3.359 16.085 49 HB3 LYS 7 HB2 LYS 7 2.649 1.621 16.462 50 HG2 LYS 7 HG1 LYS 7 4.319 3.752 17.794 51 HG3 LYS 7 HG2 LYS 7 2.993 2.793 18.493 52 HD2 LYS 7 HD1 LYS 7 4.373 0.751 18.355 53 HD3 LYS 7 HD2 LYS 7 5.692 1.679 17.603 54 HE2 LYS 7 HE1 LYS 7 5.517 3.279 19.591 55 HE3 LYS 7 HE2 LYS 7 4.463 2.070 20.357 56 HZ1 LYS 7 HZ1 LYS 7 6.734 1.835 21.050 57 HZ2 LYS 7 HZ2 LYS 7 6.258 0.503 20.206 58 HZ3 LYS 7 HZ3 LYS 7 7.237 1.624 19.494 59 H ALA 8 H ALA 8 3.928 4.075 13.493 60 HA ALA 8 HA ALA 8 2.142 2.669 11.749 61 HB1 ALA 8 HB1 ALA 8 2.582 4.553 10.204 62 HB2 ALA 8 HB2 ALA 8 2.293 5.136 11.859 63 HB3 ALA 8 HB3 ALA 8 3.951 5.065 11.216 64 H LEU 9 H LEU 9 5.676 3.339 11.541 65 HA LEU 9 HA LEU 9 6.118 1.926 9.107 66 HB2 LEU 9 HB1 LEU 9 7.840 2.831 11.401 67 HB3 LEU 9 HB2 LEU 9 8.517 1.779 10.134 68 HG LEU 9 HG LEU 9 9.020 4.162 9.799 69 HD11 LEU 9 HD11 LEU 9 8.399 4.308 7.408 70 HD12 LEU 9 HD12 LEU 9 8.928 2.670 7.849 71 HD13 LEU 9 HD13 LEU 9 7.195 3.024 7.649 72 HD21 LEU 9 HD21 LEU 9 7.274 5.755 9.087 73 HD22 LEU 9 HD22 LEU 9 6.034 4.516 9.379 74 HD23 LEU 9 HD23 LEU 9 6.986 5.162 10.737 75 H THR 10 H THR 10 6.482 0.908 12.535 76 HA THR 10 HA THR 10 7.112 -1.777 12.287 77 HB THR 10 HB THR 10 5.102 -0.585 14.230 78 HG1 THR 10 HG1 THR 10 6.979 -0.383 15.541 79 HG21 THR 10 HG21 THR 10 5.845 -2.415 15.734 80 HG22 THR 10 HG22 THR 10 5.138 -3.063 14.238 81 HG23 THR 10 HG23 THR 10 6.905 -3.034 14.449 82 H THR 11 H THR 11 3.768 -0.384 12.298 83 HA THR 11 HA THR 11 2.358 -2.751 11.723 84 HB THR 11 HB THR 11 1.718 0.100 10.903 85 HG1 THR 11 HG1 THR 11 0.485 -0.028 12.842 86 HG21 THR 11 HG21 THR 11 -0.648 -0.646 10.894 87 HG22 THR 11 HG22 THR 11 0.309 -1.528 9.684 88 HG23 THR 11 HG23 THR 11 -0.118 -2.308 11.227 89 H MET 12 H MET 12 3.694 -0.331 9.392 90 HA MET 12 HA MET 12 2.875 -1.691 7.048 91 HB2 MET 12 HB1 MET 12 5.066 0.308 7.608 92 HB3 MET 12 HB2 MET 12 4.842 -0.398 5.989 93 HG2 MET 12 HG1 MET 12 2.526 0.449 5.943 94 HG3 MET 12 HG2 MET 12 2.751 1.159 7.549 95 HE1 MET 12 HE1 MET 12 2.680 4.043 4.644 96 HE2 MET 12 HE2 MET 12 2.007 2.410 4.434 97 HE3 MET 12 HE3 MET 12 1.717 3.306 5.945 98 H VAL 13 H VAL 13 6.053 -1.977 8.828 99 HA VAL 13 HA VAL 13 7.070 -3.785 6.828 100 HB VAL 13 HB VAL 13 8.926 -4.266 8.314 101 HG11 VAL 13 HG11 VAL 13 9.900 -1.994 8.342 102 HG12 VAL 13 HG12 VAL 13 8.991 -2.301 6.846 103 HG13 VAL 13 HG13 VAL 13 8.277 -1.302 8.136 104 HG21 VAL 13 HG21 VAL 13 9.250 -3.127 10.473 105 HG22 VAL 13 HG22 VAL 13 7.608 -2.465 10.360 106 HG23 VAL 13 HG23 VAL 13 7.854 -4.222 10.504 107 H THR 14 H THR 14 5.310 -4.266 9.874 108 HA THR 14 HA THR 14 5.579 -7.097 10.064 109 HB THR 14 HB THR 14 3.233 -5.360 10.923 110 HG1 THR 14 HG1 THR 14 4.390 -5.390 12.906 111 HG21 THR 14 HG21 THR 14 2.865 -7.129 12.628 112 HG22 THR 14 HG22 THR 14 2.730 -7.789 10.983 113 HG23 THR 14 HG23 THR 14 4.207 -8.067 11.936 114 H THR 15 H THR 15 2.922 -5.109 8.672 115 HA THR 15 HA THR 15 1.486 -7.315 7.599 116 HB THR 15 HB THR 15 0.343 -5.549 6.181 117 HG1 THR 15 HG1 THR 15 0.783 -3.406 6.879 118 HG21 THR 15 HG21 THR 15 -0.833 -4.547 8.120 119 HG22 THR 15 HG22 THR 15 -0.554 -6.284 8.364 120 HG23 THR 15 HG23 THR 15 0.478 -5.090 9.188 121 H PHE 16 H PHE 16 4.060 -5.272 6.129 122 HA PHE 16 HA PHE 16 3.872 -6.442 3.532 123 HB2 PHE 16 HB1 PHE 16 5.095 -4.373 4.159 124 HB3 PHE 16 HB2 PHE 16 6.293 -5.370 5.003 125 HD1 PHE 16 HD1 PHE 16 7.779 -6.912 3.698 126 HD2 PHE 16 HD2 PHE 16 5.105 -4.147 1.768 127 HE1 PHE 16 HE1 PHE 16 9.104 -7.069 1.604 128 HE2 PHE 16 HE2 PHE 16 6.566 -4.126 -0.243 129 HZ PHE 16 HZ PHE 16 8.566 -5.605 -0.329 130 H HIS 17 H HIS 17 5.875 -7.411 6.406 131 HA HIS 17 HA HIS 17 7.056 -9.678 5.178 132 HB2 HIS 17 HB1 HIS 17 7.739 -8.499 7.303 133 HB3 HIS 17 HB2 HIS 17 6.392 -9.318 8.115 134 HD1 HIS 17 HD1 HIS 17 6.775 -12.278 7.143 135 HD2 HIS 17 HD2 HIS 17 9.874 -9.659 8.208 136 HE1 HIS 17 HE1 HIS 17 8.797 -13.735 7.688 137 HE2 HIS 17 HE2 HIS 17 10.716 -12.157 8.330 138 H LYS 18 H LYS 18 3.833 -9.285 6.595 139 HA LYS 18 HA LYS 18 3.078 -11.987 6.915 140 HB2 LYS 18 HB1 LYS 18 2.048 -9.683 7.594 141 HB3 LYS 18 HB2 LYS 18 1.197 -9.815 6.036 142 HG2 LYS 18 HG1 LYS 18 1.002 -12.030 8.046 143 HG3 LYS 18 HG2 LYS 18 0.045 -10.544 8.252 144 HD2 LYS 18 HD1 LYS 18 -0.756 -10.996 5.818 145 HD3 LYS 18 HD2 LYS 18 -0.141 -12.644 6.092 146 HE2 LYS 18 HE1 LYS 18 -2.426 -12.759 6.707 147 HE3 LYS 18 HE2 LYS 18 -1.560 -12.623 8.252 148 HZ1 LYS 18 HZ1 LYS 18 -3.448 -11.159 8.161 149 HZ2 LYS 18 HZ2 LYS 18 -2.055 -10.280 8.250 150 HZ3 LYS 18 HZ3 LYS 18 -2.859 -10.407 6.816 151 H TYR 19 H TYR 19 3.631 -10.242 3.946 152 HA TYR 19 HA TYR 19 2.548 -12.548 2.405 153 HB2 TYR 19 HB1 TYR 19 2.615 -9.614 1.634 154 HB3 TYR 19 HB2 TYR 19 2.136 -10.937 0.555 155 HD1 TYR 19 HD2 TYR 19 1.233 -9.004 3.561 156 HD2 TYR 19 HD1 TYR 19 -0.079 -11.922 0.688 157 HE1 TYR 19 HE2 TYR 19 -1.080 -8.804 4.427 158 HE2 TYR 19 HE1 TYR 19 -2.369 -11.865 1.671 159 HH TYR 19 HH TYR 19 -3.210 -9.647 4.369 160 H SER 20 H SER 20 5.155 -10.045 2.532 161 HA SER 20 HA SER 20 6.693 -11.106 0.364 162 HB2 SER 20 HB1 SER 20 7.053 -8.866 1.249 163 HB3 SER 20 HB2 SER 20 7.481 -9.526 2.845 164 HG SER 20 HG SER 20 9.322 -8.932 1.607 165 H GLY 21 H GLY 21 6.560 -11.961 3.821 166 HA2 GLY 21 HA2 GLY 21 8.545 -13.578 3.161 167 H ARG 22 H ARG 22 7.125 -14.568 2.000 168 HA ARG 22 HA ARG 22 6.221 -17.029 3.316 169 HB2 ARG 22 HB1 ARG 22 5.850 -15.813 0.560 170 HB3 ARG 22 HB2 ARG 22 5.275 -17.448 0.969 171 HG2 ARG 22 HG1 ARG 22 3.864 -16.548 2.757 172 HG3 ARG 22 HG2 ARG 22 4.508 -14.913 2.484 173 HD2 ARG 22 HD1 ARG 22 3.535 -14.866 0.240 174 HD3 ARG 22 HD2 ARG 22 2.976 -16.544 0.418 175 HE ARG 22 HE ARG 22 1.909 -15.053 2.573 176 HH11 ARG 22 HH12 ARG 22 1.625 -15.084 -0.939 177 HH12 ARG 22 HH11 ARG 22 -0.032 -14.543 -0.923 178 HH21 ARG 22 HH22 ARG 22 -0.274 -14.378 2.523 179 HH22 ARG 22 HH21 ARG 22 -1.086 -14.152 0.994 180 H GLU 23 H GLU 23 8.820 -16.012 1.217 181 HA GLU 23 HA GLU 23 10.088 -18.648 1.381 182 HB2 GLU 23 HB1 GLU 23 9.489 -17.289 -1.260 183 HB3 GLU 23 HB2 GLU 23 10.689 -18.588 -1.052 184 HG2 GLU 23 HG1 GLU 23 8.828 -20.066 -0.208 185 HG3 GLU 23 HG2 GLU 23 7.682 -18.781 -0.646 186 H GLY 24 H GLY 24 11.749 -16.877 -0.963 187 HA2 GLY 24 HA2 GLY 24 13.162 -16.173 1.159 188 H SER 25 H SER 25 11.617 -14.318 0.543 189 HA SER 25 HA SER 25 13.625 -12.157 0.992 190 HB2 SER 25 HB1 SER 25 12.418 -12.019 -1.238 191 HB3 SER 25 HB2 SER 25 10.914 -11.763 -0.320 192 HG SER 25 HG SER 25 11.930 -9.789 -0.931 193 H LYS 26 H LYS 26 12.935 -10.439 2.554 194 HA LYS 26 HA LYS 26 10.110 -10.572 3.291 195 HB2 LYS 26 HB1 LYS 26 10.704 -9.993 5.720 196 HB3 LYS 26 HB2 LYS 26 10.659 -11.682 5.158 197 HG2 LYS 26 HG1 LYS 26 13.302 -10.320 5.121 198 HG3 LYS 26 HG2 LYS 26 12.601 -10.693 6.714 199 HD2 LYS 26 HD1 LYS 26 12.350 -13.076 6.016 200 HD3 LYS 26 HD2 LYS 26 13.125 -12.683 4.461 201 HE2 LYS 26 HE1 LYS 26 15.154 -11.935 5.661 202 HE3 LYS 26 HE2 LYS 26 14.381 -12.312 7.216 203 HZ1 LYS 26 HZ1 LYS 26 15.841 -14.063 6.501 204 HZ2 LYS 26 HZ2 LYS 26 14.284 -14.604 6.538 205 HZ3 LYS 26 HZ3 LYS 26 15.002 -14.254 5.095 206 H LEU 27 H LEU 27 11.952 -8.991 1.634 207 HA LEU 27 HA LEU 27 11.244 -6.272 2.535 208 HB2 LEU 27 HB1 LEU 27 13.471 -5.505 1.650 209 HB3 LEU 27 HB2 LEU 27 13.526 -6.468 3.147 210 HG LEU 27 HG LEU 27 13.868 -7.967 0.590 211 HD11 LEU 27 HD11 LEU 27 16.257 -7.335 0.414 212 HD12 LEU 27 HD12 LEU 27 15.199 -5.929 0.158 213 HD13 LEU 27 HD13 LEU 27 16.035 -6.141 1.715 214 HD21 LEU 27 HD21 LEU 27 15.554 -9.178 1.951 215 HD22 LEU 27 HD22 LEU 27 15.330 -8.004 3.270 216 HD23 LEU 27 HD23 LEU 27 13.994 -9.082 2.800 217 H THR 28 H THR 28 11.260 -8.578 -0.010 218 HA THR 28 HA THR 28 10.173 -6.534 -1.862 219 HB THR 28 HB THR 28 11.039 -7.796 -3.774 220 HG1 THR 28 HG1 THR 28 12.645 -9.384 -3.375 221 HG21 THR 28 HG21 THR 28 13.428 -7.174 -3.597 222 HG22 THR 28 HG22 THR 28 12.375 -5.904 -2.938 223 HG23 THR 28 HG23 THR 28 13.244 -7.003 -1.838 224 H LEU 29 H LEU 29 8.438 -7.294 -3.230 225 HA LEU 29 HA LEU 29 7.585 -10.044 -3.216 226 HB2 LEU 29 HB1 LEU 29 5.667 -10.039 -2.006 227 HB3 LEU 29 HB2 LEU 29 6.733 -9.015 -1.015 228 HG LEU 29 HG LEU 29 4.346 -8.194 -2.670 229 HD11 LEU 29 HD11 LEU 29 3.549 -7.371 -0.464 230 HD12 LEU 29 HD12 LEU 29 3.951 -9.103 -0.398 231 HD13 LEU 29 HD13 LEU 29 5.075 -7.904 0.282 232 HD21 LEU 29 HD21 LEU 29 4.752 -5.850 -2.005 233 HD22 LEU 29 HD22 LEU 29 6.293 -6.334 -1.267 234 HD23 LEU 29 HD23 LEU 29 6.064 -6.472 -3.026 235 H SER 30 H SER 30 5.431 -10.288 -4.618 236 HA SER 30 HA SER 30 6.167 -8.784 -7.005 237 HB2 SER 30 HB1 SER 30 4.790 -10.326 -8.242 238 HB3 SER 30 HB2 SER 30 5.783 -11.225 -7.070 239 HG SER 30 HG SER 30 3.595 -11.938 -7.114 240 H ARG 31 H ARG 31 4.590 -7.707 -8.544 241 HA ARG 31 HA ARG 31 2.835 -5.885 -7.295 242 HB2 ARG 31 HB1 ARG 31 3.487 -6.661 -10.026 243 HB3 ARG 31 HB2 ARG 31 1.784 -6.178 -9.841 244 HG2 ARG 31 HG1 ARG 31 2.857 -4.208 -10.467 245 HG3 ARG 31 HG2 ARG 31 2.704 -4.064 -8.699 246 HD2 ARG 31 HD1 ARG 31 4.988 -4.437 -8.347 247 HD3 ARG 31 HD2 ARG 31 5.216 -5.162 -9.952 248 HE ARG 31 HE ARG 31 5.537 -3.082 -10.852 249 HH11 ARG 31 HH12 ARG 31 4.010 -2.495 -7.724 250 HH12 ARG 31 HH11 ARG 31 4.421 -0.802 -7.736 251 HH21 ARG 31 HH22 ARG 31 6.145 -0.924 -10.730 252 HH22 ARG 31 HH21 ARG 31 5.602 0.066 -9.399 253 H LYS 32 H LYS 32 2.017 -9.151 -8.641 254 HA LYS 32 HA LYS 32 -0.713 -9.237 -8.003 255 HB2 LYS 32 HB1 LYS 32 1.489 -11.142 -8.384 256 HB3 LYS 32 HB2 LYS 32 0.259 -11.730 -7.239 257 HG2 LYS 32 HG1 LYS 32 -0.491 -12.591 -9.241 258 HG3 LYS 32 HG2 LYS 32 -1.431 -11.086 -9.110 259 HD2 LYS 32 HD1 LYS 32 -0.071 -9.991 -10.745 260 HD3 LYS 32 HD2 LYS 32 1.142 -11.293 -10.708 261 HE2 LYS 32 HE1 LYS 32 -0.735 -12.876 -11.456 262 HE3 LYS 32 HE2 LYS 32 -1.715 -11.425 -11.762 263 HZ1 LYS 32 HZ1 LYS 32 -0.605 -12.180 -13.735 264 HZ2 LYS 32 HZ2 LYS 32 -0.039 -10.694 -13.299 265 HZ3 LYS 32 HZ3 LYS 32 0.872 -12.040 -13.017 266 H GLU 33 H GLU 33 2.044 -10.010 -5.824 267 HA GLU 33 HA GLU 33 0.434 -10.675 -3.550 268 HB2 GLU 33 HB1 GLU 33 2.747 -11.460 -4.148 269 HB3 GLU 33 HB2 GLU 33 3.351 -9.845 -3.706 270 HG2 GLU 33 HG1 GLU 33 3.753 -11.132 -1.801 271 HG3 GLU 33 HG2 GLU 33 2.244 -10.275 -1.419 272 H LEU 34 H LEU 34 2.129 -7.625 -4.474 273 HA LEU 34 HA LEU 34 1.638 -6.084 -2.175 274 HB2 LEU 34 HB1 LEU 34 3.109 -5.343 -3.935 275 HB3 LEU 34 HB2 LEU 34 1.796 -5.401 -5.135 276 HG LEU 34 HG LEU 34 0.657 -3.550 -3.946 277 HD11 LEU 34 HD11 LEU 34 1.860 -2.222 -2.239 278 HD12 LEU 34 HD12 LEU 34 1.577 -3.888 -1.689 279 HD13 LEU 34 HD13 LEU 34 3.189 -3.401 -2.266 280 HD21 LEU 34 HD21 LEU 34 2.190 -1.743 -4.658 281 HD22 LEU 34 HD22 LEU 34 3.525 -2.914 -4.739 282 HD23 LEU 34 HD23 LEU 34 2.142 -3.061 -5.851 283 H LYS 35 H LYS 35 -0.489 -6.670 -5.042 284 HA LYS 35 HA LYS 35 -2.493 -4.930 -3.919 285 HB2 LYS 35 HB1 LYS 35 -3.758 -5.258 -5.801 286 HB3 LYS 35 HB2 LYS 35 -2.059 -5.256 -6.332 287 HG2 LYS 35 HG1 LYS 35 -2.104 -7.534 -6.874 288 HG3 LYS 35 HG2 LYS 35 -3.583 -7.825 -5.929 289 HD2 LYS 35 HD1 LYS 35 -4.098 -7.822 -8.318 290 HD3 LYS 35 HD2 LYS 35 -4.864 -6.427 -7.520 291 HE2 LYS 35 HE1 LYS 35 -2.827 -5.064 -8.299 292 HE3 LYS 35 HE2 LYS 35 -2.432 -6.451 -9.336 293 HZ1 LYS 35 HZ1 LYS 35 -3.723 -4.811 -10.501 294 HZ2 LYS 35 HZ2 LYS 35 -4.578 -6.214 -10.367 295 HZ3 LYS 35 HZ3 LYS 35 -4.947 -4.926 -9.404 296 H GLU 36 H GLU 36 -2.049 -8.446 -3.780 297 HA GLU 36 HA GLU 36 -4.468 -9.159 -2.471 298 HB2 GLU 36 HB1 GLU 36 -3.070 -10.871 -3.273 299 HB3 GLU 36 HB2 GLU 36 -1.618 -10.168 -2.522 300 HG2 GLU 36 HG1 GLU 36 -1.944 -11.988 -1.193 301 HG3 GLU 36 HG2 GLU 36 -2.846 -10.753 -0.288 302 H LEU 37 H LEU 37 -1.305 -8.104 -1.103 303 HA LEU 37 HA LEU 37 -1.953 -8.030 1.618 304 HB2 LEU 37 HB1 LEU 37 0.265 -7.881 1.052 305 HB3 LEU 37 HB2 LEU 37 -0.026 -6.672 -0.222 306 HG LEU 37 HG LEU 37 -0.157 -4.914 1.387 307 HD11 LEU 37 HD11 LEU 37 0.314 -5.180 3.789 308 HD12 LEU 37 HD12 LEU 37 -1.175 -6.019 3.315 309 HD13 LEU 37 HD13 LEU 37 0.324 -6.941 3.583 310 HD21 LEU 37 HD21 LEU 37 2.192 -4.985 2.186 311 HD22 LEU 37 HD22 LEU 37 2.227 -6.742 1.912 312 HD23 LEU 37 HD23 LEU 37 2.049 -5.630 0.534 313 H ILE 38 H ILE 38 -2.275 -5.369 -0.782 314 HA ILE 38 HA ILE 38 -3.408 -3.500 1.043 315 HB ILE 38 HB ILE 38 -3.403 -3.648 -1.983 316 HG12 ILE 38 HG13 ILE 38 -1.885 -1.822 -0.082 317 HG13 ILE 38 HG12 ILE 38 -1.240 -3.375 -0.667 318 HG21 ILE 38 HG21 ILE 38 -4.099 -1.265 -1.977 319 HG22 ILE 38 HG22 ILE 38 -5.351 -2.301 -1.256 320 HG23 ILE 38 HG23 ILE 38 -4.291 -1.328 -0.210 321 HD11 ILE 38 HD11 ILE 38 -0.362 -1.484 -2.001 322 HD12 ILE 38 HD12 ILE 38 -1.378 -2.556 -2.988 323 HD13 ILE 38 HD13 ILE 38 -2.025 -1.005 -2.403 324 H LYS 39 H LYS 39 -5.071 -5.858 -1.157 325 HA LYS 39 HA LYS 39 -7.664 -4.839 -0.498 326 HB2 LYS 39 HB1 LYS 39 -6.574 -6.773 -2.295 327 HB3 LYS 39 HB2 LYS 39 -7.881 -7.553 -1.370 328 HG2 LYS 39 HG1 LYS 39 -8.135 -4.884 -2.802 329 HG3 LYS 39 HG2 LYS 39 -8.646 -6.448 -3.484 330 HD2 LYS 39 HD1 LYS 39 -10.394 -6.697 -1.870 331 HD3 LYS 39 HD2 LYS 39 -9.736 -5.401 -0.841 332 HE2 LYS 39 HE1 LYS 39 -10.043 -3.859 -2.884 333 HE3 LYS 39 HE2 LYS 39 -11.032 -5.162 -3.578 334 HZ1 LYS 39 HZ1 LYS 39 -12.367 -3.545 -2.438 335 HZ2 LYS 39 HZ2 LYS 39 -12.465 -5.002 -1.674 336 HZ3 LYS 39 HZ3 LYS 39 -11.546 -3.793 -1.029 337 H LYS 40 H LYS 40 -5.665 -6.351 1.653 338 HA LYS 40 HA LYS 40 -7.944 -7.719 3.008 339 HB2 LYS 40 HB1 LYS 40 -5.078 -8.659 2.641 340 HB3 LYS 40 HB2 LYS 40 -6.239 -9.420 3.756 341 HG2 LYS 40 HG1 LYS 40 -7.853 -9.593 1.787 342 HG3 LYS 40 HG2 LYS 40 -6.512 -9.082 0.735 343 HD2 LYS 40 HD1 LYS 40 -5.216 -11.057 1.402 344 HD3 LYS 40 HD2 LYS 40 -6.528 -11.561 2.495 345 HE2 LYS 40 HE1 LYS 40 -8.115 -11.591 0.589 346 HE3 LYS 40 HE2 LYS 40 -6.822 -11.061 -0.507 347 HZ1 LYS 40 HZ1 LYS 40 -7.209 -13.406 -0.659 348 HZ2 LYS 40 HZ2 LYS 40 -5.697 -13.115 -0.072 349 HZ3 LYS 40 HZ3 LYS 40 -6.898 -13.607 0.946 350 H GLU 41 H GLU 41 -4.652 -6.359 3.556 351 HA GLU 41 HA GLU 41 -5.252 -6.056 6.390 352 HB2 GLU 41 HB1 GLU 41 -2.850 -4.934 4.963 353 HB3 GLU 41 HB2 GLU 41 -3.029 -5.341 6.687 354 HG2 GLU 41 HG1 GLU 41 -3.009 -7.384 4.466 355 HG3 GLU 41 HG2 GLU 41 -1.555 -6.851 5.338 356 H LEU 42 H LEU 42 -5.117 -3.801 3.570 357 HA LEU 42 HA LEU 42 -6.094 -1.605 5.325 358 HB2 LEU 42 HB1 LEU 42 -4.221 -1.443 3.556 359 HB3 LEU 42 HB2 LEU 42 -5.530 -1.553 2.354 360 HG LEU 42 HG LEU 42 -5.280 0.652 2.390 361 HD11 LEU 42 HD11 LEU 42 -6.882 1.894 3.796 362 HD12 LEU 42 HD12 LEU 42 -7.576 0.391 3.166 363 HD13 LEU 42 HD13 LEU 42 -7.023 0.481 4.856 364 HD21 LEU 42 HD21 LEU 42 -4.506 2.069 4.261 365 HD22 LEU 42 HD22 LEU 42 -4.545 0.653 5.331 366 HD23 LEU 42 HD23 LEU 42 -3.406 0.710 3.963 367 H CYS 43 H CYS 43 -6.943 -3.378 2.388 368 HA CYS 43 HA CYS 43 -8.807 -4.435 1.719 369 HB2 CYS 43 HB1 CYS 43 -9.737 -4.287 4.051 370 HB3 CYS 43 HB2 CYS 43 -10.542 -2.777 3.557 371 HG CYS 43 HG CYS 43 -12.256 -4.760 3.497 372 H LEU 44 H LEU 44 -9.096 -0.999 2.196 373 HA LEU 44 HA LEU 44 -11.335 -0.166 1.482 374 HB2 LEU 44 HB1 LEU 44 -10.438 1.966 1.230 375 HB3 LEU 44 HB2 LEU 44 -9.267 1.040 2.198 376 HG LEU 44 HG LEU 44 -9.038 1.817 -0.720 377 HD11 LEU 44 HD11 LEU 44 -7.149 3.190 0.090 378 HD12 LEU 44 HD12 LEU 44 -8.666 3.620 0.913 379 HD13 LEU 44 HD13 LEU 44 -7.452 2.623 1.749 380 HD21 LEU 44 HD21 LEU 44 -6.762 0.864 -0.740 381 HD22 LEU 44 HD22 LEU 44 -7.019 0.236 0.899 382 HD23 LEU 44 HD23 LEU 44 -7.993 -0.382 -0.457 383 H GLY 45 H GLY 45 -10.198 -1.744 -1.268 384 HA2 GLY 45 HA2 GLY 45 -11.826 -0.047 -2.496 385 H GLU 46 H GLU 46 -13.201 -0.092 -1.243 386 HA GLU 46 HA GLU 46 -15.643 -0.597 -2.663 387 HB2 GLU 46 HB1 GLU 46 -16.740 -1.763 -0.745 388 HB3 GLU 46 HB2 GLU 46 -15.548 -2.746 -1.628 389 HG2 GLU 46 HG1 GLU 46 -14.654 -1.269 0.827 390 HG3 GLU 46 HG2 GLU 46 -15.648 -2.728 1.026 391 H MET 47 H MET 47 -13.947 0.534 0.296 392 HA MET 47 HA MET 47 -15.846 2.638 0.916 393 HB2 MET 47 HB1 MET 47 -14.267 1.579 2.519 394 HB3 MET 47 HB2 MET 47 -12.914 2.315 1.629 395 HG2 MET 47 HG1 MET 47 -15.135 3.973 2.809 396 HG3 MET 47 HG2 MET 47 -13.753 3.444 3.785 397 HE1 MET 47 HE1 MET 47 -10.759 5.284 1.970 398 HE2 MET 47 HE2 MET 47 -11.219 4.175 3.282 399 HE3 MET 47 HE3 MET 47 -11.388 3.666 1.584 400 H LYS 48 H LYS 48 -12.672 2.563 -0.797 401 HA LYS 48 HA LYS 48 -13.571 4.856 -2.426 402 HB2 LYS 48 HB1 LYS 48 -10.957 3.399 -2.021 403 HB3 LYS 48 HB2 LYS 48 -11.211 4.452 -3.433 404 HG2 LYS 48 HG1 LYS 48 -11.565 5.325 -0.543 405 HG3 LYS 48 HG2 LYS 48 -10.088 5.586 -1.501 406 HD2 LYS 48 HD1 LYS 48 -12.827 6.661 -2.269 407 HD3 LYS 48 HD2 LYS 48 -11.610 7.586 -1.356 408 HE2 LYS 48 HE1 LYS 48 -10.249 7.875 -3.187 409 HE3 LYS 48 HE2 LYS 48 -10.717 6.325 -3.918 410 HZ1 LYS 48 HZ1 LYS 48 -11.534 8.183 -5.175 411 HZ2 LYS 48 HZ2 LYS 48 -12.794 7.323 -4.550 412 HZ3 LYS 48 HZ3 LYS 48 -12.360 8.763 -3.872 413 H GLU 49 H GLU 49 -14.189 4.738 -4.371 414 HA GLU 49 HA GLU 49 -14.847 2.225 -5.732 415 HB2 GLU 49 HB1 GLU 49 -15.946 4.225 -7.223 416 HB3 GLU 49 HB2 GLU 49 -16.762 3.364 -5.896 417 HG2 GLU 49 HG1 GLU 49 -17.097 5.843 -5.920 418 HG3 GLU 49 HG2 GLU 49 -16.447 5.193 -4.399 419 H SER 50 H SER 50 -13.869 5.449 -7.068 420 HA SER 50 HA SER 50 -11.764 4.152 -8.669 421 HB2 SER 50 HB1 SER 50 -13.301 5.903 -9.614 422 HB3 SER 50 HB2 SER 50 -12.567 7.080 -8.498 423 HG SER 50 HG SER 50 -11.588 7.098 -10.583 424 H SER 51 H SER 51 -9.873 6.201 -8.657 425 HA SER 51 HA SER 51 -7.808 6.453 -7.841 426 HB2 SER 51 HB1 SER 51 -8.837 6.100 -5.013 427 HB3 SER 51 HB2 SER 51 -7.335 6.895 -5.545 428 HG SER 51 HG SER 51 -8.988 8.400 -4.989 429 H ILE 52 H ILE 52 -9.600 3.694 -6.321 430 HA ILE 52 HA ILE 52 -7.206 2.182 -5.893 431 HB ILE 52 HB ILE 52 -8.660 0.247 -5.500 432 HG12 ILE 52 HG13 ILE 52 -11.215 1.340 -5.225 433 HG13 ILE 52 HG12 ILE 52 -10.673 1.862 -6.838 434 HG21 ILE 52 HG21 ILE 52 -9.671 1.145 -3.432 435 HG22 ILE 52 HG22 ILE 52 -8.041 1.801 -3.703 436 HG23 ILE 52 HG23 ILE 52 -9.473 2.797 -4.059 437 HD11 ILE 52 HD11 ILE 52 -11.863 -0.305 -6.955 438 HD12 ILE 52 HD12 ILE 52 -10.157 -0.480 -7.423 439 HD13 ILE 52 HD13 ILE 52 -10.697 -1.002 -5.808 440 H ASP 53 H ASP 53 -9.603 2.005 -8.650 441 HA ASP 53 HA ASP 53 -8.158 -0.327 -9.559 442 HB2 ASP 53 HB1 ASP 53 -10.624 -0.042 -9.941 443 HB3 ASP 53 HB2 ASP 53 -10.227 1.152 -11.195 444 H ASP 54 H ASP 54 -7.934 3.103 -10.314 445 HA ASP 54 HA ASP 54 -6.449 2.905 -12.739 446 HB2 ASP 54 HB1 ASP 54 -7.474 5.001 -11.911 447 HB3 ASP 54 HB2 ASP 54 -6.350 5.013 -10.535 448 H LEU 55 H LEU 55 -5.331 3.228 -9.304 449 HA LEU 55 HA LEU 55 -2.568 2.912 -9.968 450 HB2 LEU 55 HB1 LEU 55 -3.975 2.397 -7.340 451 HB3 LEU 55 HB2 LEU 55 -2.223 2.604 -7.581 452 HG LEU 55 HG LEU 55 -4.388 4.694 -7.951 453 HD11 LEU 55 HD11 LEU 55 -3.220 5.787 -6.053 454 HD12 LEU 55 HD12 LEU 55 -3.776 4.155 -5.614 455 HD13 LEU 55 HD13 LEU 55 -2.060 4.439 -5.991 456 HD21 LEU 55 HD21 LEU 55 -2.581 6.312 -8.427 457 HD22 LEU 55 HD22 LEU 55 -1.395 4.990 -8.397 458 HD23 LEU 55 HD23 LEU 55 -2.650 5.033 -9.660 459 H MET 56 H MET 56 -5.083 0.514 -8.910 460 HA MET 56 HA MET 56 -3.520 -1.808 -9.072 461 HB2 MET 56 HB1 MET 56 -6.399 -1.273 -9.857 462 HB3 MET 56 HB2 MET 56 -5.677 -2.899 -9.892 463 HG2 MET 56 HG1 MET 56 -5.639 -1.139 -7.429 464 HG3 MET 56 HG2 MET 56 -6.968 -2.256 -7.783 465 HE1 MET 56 HE1 MET 56 -5.826 -4.831 -5.465 466 HE2 MET 56 HE2 MET 56 -6.478 -3.177 -5.345 467 HE3 MET 56 HE3 MET 56 -7.112 -4.296 -6.575 468 H LYS 57 H LYS 57 -5.029 0.027 -11.793 469 HA LYS 57 HA LYS 57 -4.301 -1.798 -13.855 470 HB2 LYS 57 HB1 LYS 57 -5.869 0.402 -13.680 471 HB3 LYS 57 HB2 LYS 57 -4.434 1.133 -14.439 472 HG2 LYS 57 HG1 LYS 57 -6.190 0.417 -16.053 473 HG3 LYS 57 HG2 LYS 57 -4.602 -0.340 -16.327 474 HD2 LYS 57 HD1 LYS 57 -6.383 -1.970 -16.580 475 HD3 LYS 57 HD2 LYS 57 -5.354 -2.361 -15.182 476 HE2 LYS 57 HE1 LYS 57 -7.942 -0.882 -14.770 477 HE3 LYS 57 HE2 LYS 57 -7.956 -2.638 -15.040 478 HZ1 LYS 57 HZ1 LYS 57 -7.915 -2.097 -12.715 479 HZ2 LYS 57 HZ2 LYS 57 -6.529 -2.876 -13.141 480 HZ3 LYS 57 HZ3 LYS 57 -6.516 -1.247 -12.890 481 H SER 58 H SER 58 -2.823 1.012 -12.560 482 HA SER 58 HA SER 58 -0.402 1.076 -13.948 483 HB2 SER 58 HB1 SER 58 -1.546 2.725 -12.217 484 HB3 SER 58 HB2 SER 58 -0.426 1.918 -11.092 485 HG SER 58 HG SER 58 0.515 3.756 -12.121 486 H LEU 59 H LEU 59 -1.335 -1.331 -11.575 487 HA LEU 59 HA LEU 59 1.445 -2.341 -11.335 488 HB2 LEU 59 HB1 LEU 59 -1.177 -3.410 -10.214 489 HB3 LEU 59 HB2 LEU 59 0.454 -4.010 -9.828 490 HG LEU 59 HG LEU 59 -0.895 -1.467 -8.943 491 HD11 LEU 59 HD11 LEU 59 -0.256 -2.327 -6.713 492 HD12 LEU 59 HD12 LEU 59 -1.215 -3.522 -7.617 493 HD13 LEU 59 HD13 LEU 59 0.549 -3.717 -7.481 494 HD21 LEU 59 HD21 LEU 59 1.229 -0.701 -7.952 495 HD22 LEU 59 HD22 LEU 59 2.077 -2.054 -8.732 496 HD23 LEU 59 HD23 LEU 59 1.328 -0.781 -9.725 497 H ASP 60 H ASP 60 -1.761 -3.202 -12.587 498 HA ASP 60 HA ASP 60 -1.336 -5.692 -13.770 499 HB2 ASP 60 HB1 ASP 60 -3.075 -3.342 -14.600 500 HB3 ASP 60 HB2 ASP 60 -3.250 -4.998 -15.222 501 H LYS 61 H LYS 61 -0.461 -2.522 -14.921 502 HA LYS 61 HA LYS 61 0.719 -2.385 -17.240 503 HB2 LYS 61 HB1 LYS 61 0.909 -0.975 -15.192 504 HB3 LYS 61 HB2 LYS 61 2.088 -2.132 -14.528 505 HG2 LYS 61 HG1 LYS 61 3.556 -0.593 -15.232 506 HG3 LYS 61 HG2 LYS 61 3.372 -1.452 -16.780 507 HD2 LYS 61 HD1 LYS 61 3.332 0.980 -17.056 508 HD3 LYS 61 HD2 LYS 61 1.807 0.216 -17.568 509 HE2 LYS 61 HE1 LYS 61 1.538 2.392 -16.352 510 HE3 LYS 61 HE2 LYS 61 0.652 1.026 -15.640 511 HZ1 LYS 61 HZ1 LYS 61 1.716 2.366 -13.968 512 HZ2 LYS 61 HZ2 LYS 61 2.372 0.857 -13.989 513 HZ3 LYS 61 HZ3 LYS 61 3.195 2.124 -14.652 514 H ASN 62 H ASN 62 1.994 -4.733 -14.824 515 HA ASN 62 HA ASN 62 2.975 -6.399 -16.982 516 HB2 ASN 62 HB1 ASN 62 4.858 -4.725 -16.607 517 HB3 ASN 62 HB2 ASN 62 5.044 -5.416 -14.981 518 HD21 ASN 62 HD21 ASN 62 5.109 -6.210 -18.465 519 HD22 ASN 62 HD22 ASN 62 6.156 -7.608 -18.311 520 H SER 63 H SER 63 3.217 -5.826 -13.424 521 HA SER 63 HA SER 63 1.862 -6.678 -11.881 522 HB2 SER 63 HB1 SER 63 -0.009 -7.949 -12.315 523 HB3 SER 63 HB2 SER 63 0.293 -7.097 -13.848 524 HG SER 63 HG SER 63 -0.207 -9.314 -14.146 525 H ASP 64 H ASP 64 4.233 -8.709 -13.324 526 HA ASP 64 HA ASP 64 3.940 -10.751 -11.162 527 HB2 ASP 64 HB1 ASP 64 4.805 -11.016 -14.061 528 HB3 ASP 64 HB2 ASP 64 5.066 -12.290 -12.851 529 H GLN 65 H GLN 65 5.436 -8.170 -11.339 530 HA GLN 65 HA GLN 65 8.293 -8.962 -11.287 531 HB2 GLN 65 HB1 GLN 65 6.964 -6.223 -11.223 532 HB3 GLN 65 HB2 GLN 65 8.679 -6.579 -11.537 533 HG2 GLN 65 HG1 GLN 65 7.997 -7.718 -13.652 534 HG3 GLN 65 HG2 GLN 65 6.324 -7.200 -13.348 535 HE21 GLN 65 HE12 GLN 65 8.934 -6.431 -15.186 536 HE22 GLN 65 HE22 GLN 65 8.733 -4.699 -15.308 537 H GLU 66 H GLU 66 9.570 -8.403 -9.453 538 HA GLU 66 HA GLU 66 8.227 -8.000 -6.939 539 HB2 GLU 66 HB1 GLU 66 11.153 -7.904 -7.735 540 HB3 GLU 66 HB2 GLU 66 10.583 -7.657 -6.067 541 HG2 GLU 66 HG1 GLU 66 9.625 -9.912 -6.033 542 HG3 GLU 66 HG2 GLU 66 10.098 -10.161 -7.728 543 H ILE 67 H ILE 67 7.950 -6.216 -5.720 544 HA ILE 67 HA ILE 67 9.647 -3.851 -6.260 545 HB ILE 67 HB ILE 67 7.867 -2.499 -5.075 546 HG12 ILE 67 HG13 ILE 67 5.473 -3.386 -5.818 547 HG13 ILE 67 HG12 ILE 67 6.237 -4.954 -5.461 548 HG21 ILE 67 HG21 ILE 67 6.707 -2.015 -7.188 549 HG22 ILE 67 HG22 ILE 67 8.445 -2.284 -7.432 550 HG23 ILE 67 HG23 ILE 67 7.279 -3.563 -7.848 551 HD11 ILE 67 HD11 ILE 67 5.075 -4.056 -3.466 552 HD12 ILE 67 HD12 ILE 67 6.830 -4.153 -3.199 553 HD13 ILE 67 HD13 ILE 67 6.066 -2.584 -3.556 554 H ASP 68 H ASP 68 10.056 -2.558 -4.356 555 HA ASP 68 HA ASP 68 10.528 -4.119 -1.907 556 HB2 ASP 68 HB1 ASP 68 12.131 -2.414 -1.403 557 HB3 ASP 68 HB2 ASP 68 12.324 -2.830 -3.120 558 H PHE 69 H PHE 69 10.571 -2.396 0.090 559 HA PHE 69 HA PHE 69 7.939 -1.837 0.869 560 HB2 PHE 69 HB1 PHE 69 10.561 -0.574 1.746 561 HB3 PHE 69 HB2 PHE 69 9.025 -0.402 2.611 562 HD1 PHE 69 HD1 PHE 69 7.901 -2.548 3.492 563 HD2 PHE 69 HD2 PHE 69 12.023 -2.329 2.247 564 HE1 PHE 69 HE1 PHE 69 8.452 -4.474 4.966 565 HE2 PHE 69 HE2 PHE 69 12.564 -4.256 3.715 566 HZ PHE 69 HZ PHE 69 10.781 -5.327 5.070 567 H LYS 70 H LYS 70 9.562 0.003 -1.565 568 HA LYS 70 HA LYS 70 8.961 2.630 -0.314 569 HB2 LYS 70 HB1 LYS 70 11.220 1.714 -1.273 570 HB3 LYS 70 HB2 LYS 70 10.509 2.137 -2.849 571 HG2 LYS 70 HG1 LYS 70 10.366 4.462 -2.235 572 HG3 LYS 70 HG2 LYS 70 10.836 4.100 -0.557 573 HD2 LYS 70 HD1 LYS 70 12.978 3.033 -1.589 574 HD3 LYS 70 HD2 LYS 70 12.529 3.892 -3.081 575 HE2 LYS 70 HE1 LYS 70 12.576 6.030 -1.937 576 HE3 LYS 70 HE2 LYS 70 12.817 5.234 -0.366 577 HZ1 LYS 70 HZ1 LYS 70 14.864 6.091 -1.251 578 HZ2 LYS 70 HZ2 LYS 70 14.932 4.446 -1.163 579 HZ3 LYS 70 HZ3 LYS 70 14.709 5.186 -2.620 580 H GLU 71 H GLU 71 8.745 1.095 -3.527 581 HA GLU 71 HA GLU 71 6.564 2.361 -4.690 582 HB2 GLU 71 HB1 GLU 71 7.815 -0.345 -4.609 583 HB3 GLU 71 HB2 GLU 71 6.145 -0.288 -5.222 584 HG2 GLU 71 HG1 GLU 71 8.060 1.774 -6.240 585 HG3 GLU 71 HG2 GLU 71 8.285 0.105 -6.807 586 H TYR 72 H TYR 72 6.533 -0.275 -2.241 587 HA TYR 72 HA TYR 72 3.735 -0.593 -2.036 588 HB2 TYR 72 HB1 TYR 72 5.041 -2.267 -1.155 589 HB3 TYR 72 HB2 TYR 72 6.164 -1.138 -0.380 590 HD1 TYR 72 HD2 TYR 72 2.498 -2.017 -0.076 591 HD2 TYR 72 HD1 TYR 72 6.193 -1.114 1.936 592 HE1 TYR 72 HE2 TYR 72 1.473 -2.645 2.091 593 HE2 TYR 72 HE1 TYR 72 5.193 -1.806 4.105 594 HH TYR 72 HH TYR 72 1.805 -3.033 4.305 595 H SER 73 H SER 73 5.893 1.449 -0.017 596 HA SER 73 HA SER 73 3.788 2.545 1.562 597 HB2 SER 73 HB1 SER 73 5.570 4.135 2.303 598 HB3 SER 73 HB2 SER 73 6.003 2.414 2.441 599 HG SER 73 HG SER 73 7.683 3.683 1.535 600 H VAL 74 H VAL 74 5.462 3.886 -1.399 601 HA VAL 74 HA VAL 74 3.851 6.248 -1.283 602 HB VAL 74 HB VAL 74 4.451 6.798 -3.507 603 HG11 VAL 74 HG11 VAL 74 6.861 7.064 -3.186 604 HG12 VAL 74 HG12 VAL 74 5.946 7.344 -1.690 605 HG13 VAL 74 HG13 VAL 74 6.823 5.812 -1.926 606 HG21 VAL 74 HG21 VAL 74 5.953 5.515 -4.951 607 HG22 VAL 74 HG22 VAL 74 5.885 4.167 -3.803 608 HG23 VAL 74 HG23 VAL 74 4.415 4.682 -4.663 609 H PHE 75 H PHE 75 3.196 3.049 -2.723 610 HA PHE 75 HA PHE 75 0.939 3.912 -4.281 611 HB2 PHE 75 HB1 PHE 75 2.270 1.778 -4.504 612 HB3 PHE 75 HB2 PHE 75 1.480 1.203 -3.026 613 HD1 PHE 75 HD1 PHE 75 -1.125 1.037 -3.050 614 HD2 PHE 75 HD2 PHE 75 1.282 1.497 -6.588 615 HE1 PHE 75 HE1 PHE 75 -2.966 0.079 -4.422 616 HE2 PHE 75 HE2 PHE 75 -0.566 0.576 -7.959 617 HZ PHE 75 HZ PHE 75 -2.666 -0.196 -6.880 618 H LEU 76 H LEU 76 1.215 2.471 -0.966 619 HA LEU 76 HA LEU 76 -1.495 2.640 -0.214 620 HB2 LEU 76 HB1 LEU 76 1.118 2.912 1.302 621 HB3 LEU 76 HB2 LEU 76 -0.461 2.946 2.126 622 HG LEU 76 HG LEU 76 0.516 0.628 0.414 623 HD11 LEU 76 HD11 LEU 76 0.988 -0.455 2.590 624 HD12 LEU 76 HD12 LEU 76 1.967 1.020 2.383 625 HD13 LEU 76 HD13 LEU 76 0.535 1.045 3.439 626 HD21 LEU 76 HD21 LEU 76 -1.316 -0.594 1.540 627 HD22 LEU 76 HD22 LEU 76 -1.785 0.894 2.398 628 HD23 LEU 76 HD23 LEU 76 -1.941 0.802 0.628 629 H THR 77 H THR 77 1.119 5.031 0.175 630 HA THR 77 HA THR 77 -0.345 7.153 1.345 631 HB THR 77 HB THR 77 2.128 7.161 -0.423 632 HG1 THR 77 HG1 THR 77 3.101 7.269 1.657 633 HG21 THR 77 HG21 THR 77 2.676 9.334 0.639 634 HG22 THR 77 HG22 THR 77 1.166 9.437 -0.290 635 HG23 THR 77 HG23 THR 77 1.113 9.308 1.484 636 H MET 78 H MET 78 0.322 6.379 -2.084 637 HA MET 78 HA MET 78 -0.844 8.705 -3.222 638 HB2 MET 78 HB1 MET 78 0.777 7.191 -4.321 639 HB3 MET 78 HB2 MET 78 -0.486 5.941 -4.416 640 HG2 MET 78 HG1 MET 78 -1.611 7.003 -6.100 641 HG3 MET 78 HG2 MET 78 -1.072 8.615 -5.603 642 HE1 MET 78 HE1 MET 78 1.710 5.572 -7.774 643 HE2 MET 78 HE2 MET 78 1.281 5.474 -6.052 644 HE3 MET 78 HE3 MET 78 0.038 5.201 -7.296 645 H LEU 79 H LEU 79 -2.299 5.521 -2.401 646 HA LEU 79 HA LEU 79 -4.890 6.193 -3.426 647 HB2 LEU 79 HB1 LEU 79 -3.823 3.915 -2.575 648 HB3 LEU 79 HB2 LEU 79 -4.567 4.412 -1.036 649 HG LEU 79 HG LEU 79 -6.133 3.014 -2.105 650 HD11 LEU 79 HD11 LEU 79 -8.106 4.403 -2.647 651 HD12 LEU 79 HD12 LEU 79 -7.249 5.012 -1.219 652 HD13 LEU 79 HD13 LEU 79 -7.050 5.823 -2.791 653 HD21 LEU 79 HD21 LEU 79 -6.880 3.304 -4.444 654 HD22 LEU 79 HD22 LEU 79 -5.778 4.688 -4.616 655 HD23 LEU 79 HD23 LEU 79 -5.123 3.055 -4.348 656 H CYS 80 H CYS 80 -3.511 6.435 -0.095 657 HA CYS 80 HA CYS 80 -5.773 7.544 1.150 658 HB2 CYS 80 HB1 CYS 80 -3.852 6.526 2.280 659 HB3 CYS 80 HB2 CYS 80 -2.823 7.892 1.785 660 HG CYS 80 HG CYS 80 -3.412 8.097 4.328 661 H MET 81 H MET 81 -3.007 9.397 -0.319 662 HA MET 81 HA MET 81 -4.224 11.920 0.188 663 HB2 MET 81 HB1 MET 81 -2.628 12.833 -1.491 664 HB3 MET 81 HB2 MET 81 -1.901 11.928 -0.143 665 HG2 MET 81 HG1 MET 81 -0.894 10.527 -1.525 666 HG3 MET 81 HG2 MET 81 -2.417 10.161 -2.354 667 HE1 MET 81 HE1 MET 81 -2.550 12.475 -5.327 668 HE2 MET 81 HE2 MET 81 -3.180 11.013 -4.527 669 HE3 MET 81 HE3 MET 81 -3.368 12.602 -3.748 670 H ALA 82 H ALA 82 -4.783 9.582 -2.383 671 HA ALA 82 HA ALA 82 -6.351 11.447 -3.948 672 HB1 ALA 82 HB1 ALA 82 -6.852 9.491 -5.350 673 HB2 ALA 82 HB2 ALA 82 -5.111 9.638 -5.016 674 HB3 ALA 82 HB3 ALA 82 -6.086 8.431 -4.143 675 H TYR 83 H TYR 83 -7.092 10.764 -1.019 676 HA TYR 83 HA TYR 83 -9.811 11.576 -1.612 677 HB2 TYR 83 HB1 TYR 83 -10.850 10.107 0.047 678 HB3 TYR 83 HB2 TYR 83 -10.179 9.242 -1.347 679 HD1 TYR 83 HD1 TYR 83 -9.398 10.083 2.251 680 HD2 TYR 83 HD2 TYR 83 -8.849 7.363 -1.038 681 HE1 TYR 83 HE1 TYR 83 -8.325 8.449 3.791 682 HE2 TYR 83 HE2 TYR 83 -8.008 5.643 0.535 683 HH TYR 83 HH TYR 83 -7.281 5.182 2.631 684 H ASN 84 H ASN 84 -7.071 12.464 -0.183 685 HA ASN 84 HA ASN 84 -8.144 13.310 2.406 686 HB2 ASN 84 HB1 ASN 84 -5.403 13.437 1.165 687 HB3 ASN 84 HB2 ASN 84 -5.794 14.257 2.693 688 HD21 ASN 84 HD21 ASN 84 -3.820 12.282 2.557 689 HD22 ASN 84 HD22 ASN 84 -4.358 10.886 3.473 690 H ASP 85 H ASP 85 -8.553 14.628 -0.547 691 HA ASP 85 HA ASP 85 -8.401 17.399 0.006 692 HB2 ASP 85 HB1 ASP 85 -10.070 17.606 -1.796 693 HB3 ASP 85 HB2 ASP 85 -8.723 16.531 -2.229 694 H PHE 86 H PHE 86 -10.656 14.981 1.208 695 HA PHE 86 HA PHE 86 -12.674 16.591 2.298 696 HB2 PHE 86 HB1 PHE 86 -12.694 14.164 2.306 697 HB3 PHE 86 HB2 PHE 86 -11.264 14.113 3.350 698 HD1 PHE 86 HD2 PHE 86 -14.847 15.241 3.274 699 HD2 PHE 86 HD1 PHE 86 -11.490 14.055 5.692 700 HE1 PHE 86 HE2 PHE 86 -16.293 15.275 5.293 701 HE2 PHE 86 HE1 PHE 86 -12.936 14.088 7.717 702 HZ PHE 86 HZ PHE 86 -15.337 14.704 7.519 703 H PHE 87 H PHE 87 -9.287 16.419 3.259 704 HA PHE 87 HA PHE 87 -9.806 17.997 5.705 705 HB2 PHE 87 HB1 PHE 87 -7.225 16.769 4.671 706 HB3 PHE 87 HB2 PHE 87 -7.483 17.496 6.267 707 HD1 PHE 87 HD2 PHE 87 -9.344 16.392 7.762 708 HD2 PHE 87 HD1 PHE 87 -7.495 14.475 4.378 709 HE1 PHE 87 HE2 PHE 87 -10.013 14.172 8.652 710 HE2 PHE 87 HE1 PHE 87 -8.197 12.259 5.251 711 HZ PHE 87 HZ PHE 87 -9.440 12.104 7.397 712 H LEU 88 H LEU 88 -9.606 18.931 2.596 713 HA LEU 88 HA LEU 88 -7.483 20.950 2.930 714 HB2 LEU 88 HB1 LEU 88 -8.168 19.258 0.847 715 HB3 LEU 88 HB2 LEU 88 -8.752 20.851 0.309 716 HG LEU 88 HG LEU 88 -5.939 20.266 1.297 717 HD11 LEU 88 HD11 LEU 88 -5.266 20.452 -1.080 718 HD12 LEU 88 HD12 LEU 88 -6.417 19.118 -0.834 719 HD13 LEU 88 HD13 LEU 88 -6.972 20.655 -1.542 720 HD21 LEU 88 HD21 LEU 88 -5.360 22.478 0.361 721 HD22 LEU 88 HD22 LEU 88 -7.063 22.729 -0.084 722 HD23 LEU 88 HD23 LEU 88 -6.597 22.612 1.630 723 H GLU 89 H GLU 89 -8.997 22.585 0.787 724 HA GLU 89 HA GLU 89 -10.994 24.158 2.046 725 HB2 GLU 89 HB1 GLU 89 -8.253 24.548 3.049 726 HB3 GLU 89 HB2 GLU 89 -8.967 26.032 2.378 727 HG2 GLU 89 HG1 GLU 89 -10.450 26.253 4.082 728 HG3 GLU 89 HG2 GLU 89 -10.723 24.502 4.216 729 H ASP 90 H ASP 90 -7.831 25.017 0.528 730 HA ASP 90 HA ASP 90 -8.904 24.688 -2.146 731 HB2 ASP 90 HB1 ASP 90 -9.586 27.022 -1.728 732 HB3 ASP 90 HB2 ASP 90 -7.912 27.442 -1.310 733 H ASN 91 H ASN 91 -7.258 24.527 -3.725 734 HA ASN 91 HA ASN 91 -4.510 25.174 -3.257 735 HB2 ASN 91 HB1 ASN 91 -5.287 22.679 -2.191 736 HB3 ASN 91 HB2 ASN 91 -4.444 22.304 -3.710 737 HD21 ASN 91 HD21 ASN 91 -4.042 24.589 -0.936 738 HD22 ASN 91 HD22 ASN 91 -2.317 24.318 -0.757 739 H LYS 92 H LYS 92 -6.917 23.447 -5.110 740 HA LYS 92 HA LYS 92 -7.225 22.886 -7.269 741 HB2 LYS 92 HB1 LYS 92 -4.342 23.518 -7.864 742 HB3 LYS 92 HB2 LYS 92 -5.556 22.932 -9.025 743 HG2 LYS 92 HG1 LYS 92 -5.219 25.627 -7.787 744 HG3 LYS 92 HG2 LYS 92 -5.518 25.172 -9.481 745 HD2 LYS 92 HD1 LYS 92 -7.502 26.146 -8.996 746 HD3 LYS 92 HD2 LYS 92 -7.874 24.469 -8.530 747 HE2 LYS 92 HE1 LYS 92 -8.692 26.317 -6.993 748 HE3 LYS 92 HE2 LYS 92 -7.816 24.964 -6.245 749 HZ1 LYS 92 HZ1 LYS 92 -7.137 27.070 -5.341 750 HZ2 LYS 92 HZ2 LYS 92 -5.884 26.359 -6.137 751 HZ3 LYS 92 HZ3 LYS 92 -6.697 27.615 -6.831 752 HA MET 1 HA MET 1 -10.625 3.479 9.444 753 HB2 MET 1 HB1 MET 1 -8.358 3.839 10.524 754 HB3 MET 1 HB2 MET 1 -9.272 5.260 9.961 755 HG2 MET 1 HG1 MET 1 -9.260 4.355 12.845 756 HG3 MET 1 HG2 MET 1 -8.043 5.459 12.183 757 HE1 MET 1 HE1 MET 1 -9.525 8.835 12.235 758 HE2 MET 1 HE2 MET 1 -8.175 7.810 12.778 759 HE3 MET 1 HE3 MET 1 -8.652 7.820 11.062 760 H GLU 2 H GLU 2 -11.144 1.329 9.504 761 HA GLU 2 HA GLU 2 -11.384 0.071 12.158 762 HB2 GLU 2 HB1 GLU 2 -12.318 -0.559 9.325 763 HB3 GLU 2 HB2 GLU 2 -12.627 -1.637 10.709 764 HG2 GLU 2 HG1 GLU 2 -14.515 -0.083 9.992 765 HG3 GLU 2 HG2 GLU 2 -14.098 -0.119 11.720 766 H THR 3 H THR 3 -9.636 -0.281 9.125 767 HA THR 3 HA THR 3 -8.915 -3.063 9.605 768 HB THR 3 HB THR 3 -7.782 -2.820 7.351 769 HG1 THR 3 HG1 THR 3 -8.454 -0.961 6.187 770 HG21 THR 3 HG21 THR 3 -9.954 -2.789 6.150 771 HG22 THR 3 HG22 THR 3 -10.068 -3.736 7.653 772 HG23 THR 3 HG23 THR 3 -10.735 -2.087 7.588 773 HA PRO 4 HA PRO 4 -5.286 -2.499 11.646 774 HB2 PRO 4 HB1 PRO 4 -3.601 -4.549 10.898 775 HB3 PRO 4 HB2 PRO 4 -5.119 -4.780 11.823 776 HG2 PRO 4 HG1 PRO 4 -4.721 -5.049 8.836 777 HG3 PRO 4 HG2 PRO 4 -5.521 -6.211 9.944 778 HD2 PRO 4 HD1 PRO 4 -6.977 -4.436 8.498 779 HD3 PRO 4 HD2 PRO 4 -7.404 -4.764 10.206 780 H LEU 5 H LEU 5 -4.492 -2.771 8.104 781 HA LEU 5 HA LEU 5 -1.917 -1.530 8.527 782 HB2 LEU 5 HB1 LEU 5 -2.600 -3.087 6.635 783 HB3 LEU 5 HB2 LEU 5 -3.396 -1.673 5.903 784 HG LEU 5 HG LEU 5 -0.532 -1.421 6.771 785 HD11 LEU 5 HD11 LEU 5 0.218 -2.362 4.582 786 HD12 LEU 5 HD12 LEU 5 -0.648 -3.586 5.537 787 HD13 LEU 5 HD13 LEU 5 -1.467 -2.768 4.187 788 HD21 LEU 5 HD21 LEU 5 -0.336 -0.011 4.743 789 HD22 LEU 5 HD22 LEU 5 -2.015 -0.402 4.320 790 HD23 LEU 5 HD23 LEU 5 -1.660 0.544 5.785 791 H GLU 6 H GLU 6 -5.165 -0.246 7.756 792 HA GLU 6 HA GLU 6 -4.405 2.385 7.085 793 HB2 GLU 6 HB1 GLU 6 -6.631 1.683 6.715 794 HB3 GLU 6 HB2 GLU 6 -6.858 1.241 8.424 795 HG2 GLU 6 HG1 GLU 6 -8.062 3.299 7.780 796 HG3 GLU 6 HG2 GLU 6 -6.880 3.556 9.082 797 H LYS 7 H LYS 7 -4.643 0.868 10.364 798 HA LYS 7 HA LYS 7 -4.236 3.111 11.938 799 HB2 LYS 7 HB1 LYS 7 -2.681 0.535 12.251 800 HB3 LYS 7 HB2 LYS 7 -3.108 1.709 13.519 801 HG2 LYS 7 HG1 LYS 7 -5.001 -0.102 11.999 802 HG3 LYS 7 HG2 LYS 7 -4.514 -0.244 13.705 803 HD2 LYS 7 HD1 LYS 7 -5.522 2.083 14.058 804 HD3 LYS 7 HD2 LYS 7 -6.216 1.935 12.427 805 HE2 LYS 7 HE1 LYS 7 -6.519 -0.310 14.434 806 HE3 LYS 7 HE2 LYS 7 -7.614 1.087 14.489 807 HZ1 LYS 7 HZ1 LYS 7 -8.494 -0.679 13.145 808 HZ2 LYS 7 HZ2 LYS 7 -8.189 0.646 12.210 809 HZ3 LYS 7 HZ3 LYS 7 -7.172 -0.651 12.158 810 H ALA 8 H ALA 8 -1.735 1.654 9.801 811 HA ALA 8 HA ALA 8 0.398 3.332 10.706 812 HB1 ALA 8 HB1 ALA 8 1.505 2.629 8.612 813 HB2 ALA 8 HB2 ALA 8 0.755 1.246 9.445 814 HB3 ALA 8 HB3 ALA 8 -0.036 1.965 8.022 815 H LEU 9 H LEU 9 -1.794 3.638 7.838 816 HA LEU 9 HA LEU 9 -0.853 6.176 6.996 817 HB2 LEU 9 HB1 LEU 9 -3.490 4.756 6.635 818 HB3 LEU 9 HB2 LEU 9 -3.174 6.366 5.946 819 HG LEU 9 HG LEU 9 -2.941 4.680 4.264 820 HD11 LEU 9 HD11 LEU 9 -0.669 5.161 3.416 821 HD12 LEU 9 HD12 LEU 9 -1.437 6.612 4.095 822 HD13 LEU 9 HD13 LEU 9 -0.198 5.740 5.029 823 HD21 LEU 9 HD21 LEU 9 -1.231 2.902 4.319 824 HD22 LEU 9 HD22 LEU 9 -0.779 3.398 5.963 825 HD23 LEU 9 HD23 LEU 9 -2.401 2.733 5.646 826 H THR 10 H THR 10 -3.749 5.448 9.067 827 HA THR 10 HA THR 10 -4.497 7.980 9.883 828 HB THR 10 HB THR 10 -4.383 5.342 11.358 829 HG1 THR 10 HG1 THR 10 -6.647 5.475 10.949 830 HG21 THR 10 HG21 THR 10 -5.998 6.285 13.003 831 HG22 THR 10 HG22 THR 10 -4.445 7.144 13.065 832 HG23 THR 10 HG23 THR 10 -5.838 7.877 12.233 833 H THR 11 H THR 11 -1.849 6.005 11.479 834 HA THR 11 HA THR 11 -1.202 8.074 13.337 835 HB THR 11 HB THR 11 0.373 5.722 12.286 836 HG1 THR 11 HG1 THR 11 -0.123 5.016 14.421 837 HG21 THR 11 HG21 THR 11 1.937 6.063 14.190 838 HG22 THR 11 HG22 THR 11 1.993 7.434 13.061 839 HG23 THR 11 HG23 THR 11 1.100 7.576 14.594 840 H MET 12 H MET 12 0.285 7.292 10.123 841 HA MET 12 HA MET 12 2.229 9.318 10.112 842 HB2 MET 12 HB1 MET 12 0.685 7.922 7.923 843 HB3 MET 12 HB2 MET 12 1.848 9.213 7.539 844 HG2 MET 12 HG1 MET 12 3.632 7.936 8.646 845 HG3 MET 12 HG2 MET 12 2.477 6.656 9.051 846 HE1 MET 12 HE1 MET 12 4.818 5.116 6.251 847 HE2 MET 12 HE2 MET 12 5.286 6.331 7.465 848 HE3 MET 12 HE3 MET 12 4.240 4.968 7.929 849 H VAL 13 H VAL 13 -1.213 9.559 8.968 850 HA VAL 13 HA VAL 13 -0.874 12.292 8.137 851 HB VAL 13 HB VAL 13 -3.279 12.477 7.959 852 HG11 VAL 13 HG11 VAL 13 -3.638 10.773 6.200 853 HG12 VAL 13 HG12 VAL 13 -2.008 11.473 6.114 854 HG13 VAL 13 HG13 VAL 13 -2.248 9.856 6.818 855 HG21 VAL 13 HG21 VAL 13 -4.832 10.606 8.355 856 HG22 VAL 13 HG22 VAL 13 -3.501 9.668 9.056 857 HG23 VAL 13 HG23 VAL 13 -4.059 11.157 9.853 858 H THR 14 H THR 14 -1.919 10.791 11.175 859 HA THR 14 HA THR 14 -2.917 13.132 12.461 860 HB THR 14 HB THR 14 -1.848 10.524 13.589 861 HG1 THR 14 HG1 THR 14 -4.126 10.161 13.694 862 HG21 THR 14 HG21 THR 14 -3.187 11.054 15.616 863 HG22 THR 14 HG22 THR 14 -1.905 12.258 15.366 864 HG23 THR 14 HG23 THR 14 -3.585 12.643 14.927 865 H THR 15 H THR 15 0.345 11.736 12.286 866 HA THR 15 HA THR 15 1.553 13.652 14.089 867 HB THR 15 HB THR 15 3.691 12.701 12.793 868 HG1 THR 15 HG1 THR 15 3.278 10.531 12.230 869 HG21 THR 15 HG21 THR 15 3.783 10.956 14.532 870 HG22 THR 15 HG22 THR 15 3.177 12.495 15.187 871 HG23 THR 15 HG23 THR 15 2.044 11.169 14.836 872 H PHE 16 H PHE 16 1.676 13.192 10.511 873 HA PHE 16 HA PHE 16 3.373 15.309 9.856 874 HB2 PHE 16 HB1 PHE 16 2.535 13.485 8.401 875 HB3 PHE 16 HB2 PHE 16 0.939 14.256 8.378 876 HD1 PHE 16 HD1 PHE 16 4.454 14.527 7.172 877 HD2 PHE 16 HD2 PHE 16 0.460 16.113 6.968 878 HE1 PHE 16 HE1 PHE 16 5.019 15.666 5.039 879 HE2 PHE 16 HE2 PHE 16 1.047 17.291 4.875 880 HZ PHE 16 HZ PHE 16 3.315 17.084 3.894 881 H HIS 17 H HIS 17 -0.188 15.394 10.214 882 HA HIS 17 HA HIS 17 -0.418 18.216 9.752 883 HB2 HIS 17 HB1 HIS 17 -2.106 16.324 9.354 884 HB3 HIS 17 HB2 HIS 17 -2.498 16.500 11.075 885 HD1 HIS 17 HD1 HIS 17 -2.183 19.897 10.745 886 HD2 HIS 17 HD2 HIS 17 -4.560 17.146 8.669 887 HE1 HIS 17 HE1 HIS 17 -4.217 21.191 9.917 888 HE2 HIS 17 HE2 HIS 17 -5.696 19.525 8.640 889 H LYS 18 H LYS 18 1.208 17.087 12.358 890 HA LYS 18 HA LYS 18 0.064 19.065 14.227 891 HB2 LYS 18 HB1 LYS 18 2.583 17.395 14.444 892 HB3 LYS 18 HB2 LYS 18 1.821 18.344 15.743 893 HG2 LYS 18 HG1 LYS 18 0.453 16.016 14.412 894 HG3 LYS 18 HG2 LYS 18 1.544 15.828 15.806 895 HD2 LYS 18 HD1 LYS 18 -0.619 15.829 16.683 896 HD3 LYS 18 HD2 LYS 18 0.059 17.436 17.040 897 HE2 LYS 18 HE1 LYS 18 -2.375 17.371 16.388 898 HE3 LYS 18 HE2 LYS 18 -1.351 18.494 15.467 899 HZ1 LYS 18 HZ1 LYS 18 -2.841 17.284 14.048 900 HZ2 LYS 18 HZ2 LYS 18 -1.280 16.884 13.706 901 HZ3 LYS 18 HZ3 LYS 18 -2.230 15.842 14.560 902 H TYR 19 H TYR 19 1.812 19.406 11.497 903 HA TYR 19 HA TYR 19 3.452 21.726 12.304 904 HB2 TYR 19 HB1 TYR 19 4.565 19.255 10.918 905 HB3 TYR 19 HB2 TYR 19 5.444 20.760 11.240 906 HD1 TYR 19 HD1 TYR 19 3.956 17.734 12.801 907 HD2 TYR 19 HD2 TYR 19 6.564 21.119 13.345 908 HE1 TYR 19 HE1 TYR 19 4.809 16.736 14.898 909 HE2 TYR 19 HE2 TYR 19 7.444 20.102 15.442 910 HH TYR 19 HH TYR 19 7.231 18.373 16.953 911 H SER 20 H SER 20 2.950 19.364 9.561 912 HA SER 20 HA SER 20 2.089 21.249 7.647 913 HB2 SER 20 HB1 SER 20 2.414 18.882 7.117 914 HB3 SER 20 HB2 SER 20 1.034 18.447 8.154 915 HG SER 20 HG SER 20 0.471 18.587 5.935 916 H GLY 21 H GLY 21 0.244 22.265 7.229 917 HA2 GLY 21 HA2 GLY 21 -1.058 23.408 7.682 918 H ARG 22 H ARG 22 0.689 23.615 9.552 919 HA ARG 22 HA ARG 22 -0.654 25.599 11.215 920 HB2 ARG 22 HB1 ARG 22 1.422 26.013 12.176 921 HB3 ARG 22 HB2 ARG 22 1.515 24.292 11.729 922 HG2 ARG 22 HG1 ARG 22 2.714 24.995 9.620 923 HG3 ARG 22 HG2 ARG 22 2.767 26.648 10.276 924 HD2 ARG 22 HD1 ARG 22 3.932 24.228 11.684 925 HD3 ARG 22 HD2 ARG 22 4.866 25.302 10.619 926 HE ARG 22 HE ARG 22 3.564 26.901 12.557 927 HH11 ARG 22 HH12 ARG 22 6.129 24.463 12.505 928 HH12 ARG 22 HH11 ARG 22 6.947 25.148 13.884 929 HH21 ARG 22 HH22 ARG 22 4.691 27.740 14.314 930 HH22 ARG 22 HH21 ARG 22 6.149 26.965 14.886 931 H GLU 23 H GLU 23 -0.056 25.578 7.989 932 HA GLU 23 HA GLU 23 -0.092 28.225 7.149 933 HB2 GLU 23 HB1 GLU 23 2.537 27.427 8.193 934 HB3 GLU 23 HB2 GLU 23 2.598 27.868 6.470 935 HG2 GLU 23 HG1 GLU 23 1.322 29.661 8.550 936 HG3 GLU 23 HG2 GLU 23 3.061 29.719 8.186 937 H GLY 24 H GLY 24 0.448 28.251 4.787 938 HA2 GLY 24 HA2 GLY 24 0.030 27.492 3.149 939 H SER 25 H SER 25 -0.000 24.341 4.239 940 HA SER 25 HA SER 25 -2.748 24.266 3.355 941 HB2 SER 25 HB1 SER 25 -1.533 23.730 1.231 942 HB3 SER 25 HB2 SER 25 -0.784 22.339 2.052 943 HG SER 25 HG SER 25 -2.657 21.757 0.845 944 H LYS 26 H LYS 26 -3.891 22.412 4.298 945 HA LYS 26 HA LYS 26 -2.791 21.337 6.682 946 HB2 LYS 26 HB1 LYS 26 -5.186 20.676 4.990 947 HB3 LYS 26 HB2 LYS 26 -4.758 19.663 6.390 948 HG2 LYS 26 HG1 LYS 26 -6.232 21.157 7.351 949 HG3 LYS 26 HG2 LYS 26 -4.670 21.947 7.673 950 HD2 LYS 26 HD1 LYS 26 -6.240 23.634 7.020 951 HD3 LYS 26 HD2 LYS 26 -5.087 23.417 5.682 952 HE2 LYS 26 HE1 LYS 26 -7.183 23.500 4.613 953 HE3 LYS 26 HE2 LYS 26 -6.821 21.764 4.712 954 HZ1 LYS 26 HZ1 LYS 26 -9.070 22.241 5.360 955 HZ2 LYS 26 HZ2 LYS 26 -8.225 21.646 6.644 956 HZ3 LYS 26 HZ3 LYS 26 -8.560 23.259 6.552 957 H LEU 27 H LEU 27 -2.000 20.518 3.523 958 HA LEU 27 HA LEU 27 -1.172 17.749 4.178 959 HB2 LEU 27 HB1 LEU 27 -1.915 18.964 1.496 960 HB3 LEU 27 HB2 LEU 27 -1.518 17.259 1.816 961 HG LEU 27 HG LEU 27 -3.929 18.729 2.942 962 HD11 LEU 27 HD11 LEU 27 -5.203 17.436 1.269 963 HD12 LEU 27 HD12 LEU 27 -4.003 18.495 0.489 964 HD13 LEU 27 HD13 LEU 27 -3.685 16.750 0.641 965 HD21 LEU 27 HD21 LEU 27 -4.768 16.483 3.543 966 HD22 LEU 27 HD22 LEU 27 -3.257 15.762 2.946 967 HD23 LEU 27 HD23 LEU 27 -3.232 16.840 4.361 968 H THR 28 H THR 28 0.254 20.745 3.900 969 HA THR 28 HA THR 28 2.764 19.472 2.971 970 HB THR 28 HB THR 28 3.462 21.583 1.906 971 HG1 THR 28 HG1 THR 28 1.820 23.132 1.495 972 HG21 THR 28 HG21 THR 28 2.048 21.445 -0.122 973 HG22 THR 28 HG22 THR 28 2.467 19.831 0.490 974 HG23 THR 28 HG23 THR 28 0.847 20.507 0.791 975 H LEU 29 H LEU 29 4.744 20.342 3.725 976 HA LEU 29 HA LEU 29 4.772 22.547 5.623 977 HB2 LEU 29 HB1 LEU 29 5.574 21.504 7.514 978 HB3 LEU 29 HB2 LEU 29 4.272 20.429 6.950 979 HG LEU 29 HG LEU 29 7.260 19.954 6.718 980 HD11 LEU 29 HD11 LEU 29 6.775 18.061 8.257 981 HD12 LEU 29 HD12 LEU 29 6.292 19.612 8.980 982 HD13 LEU 29 HD13 LEU 29 5.060 18.530 8.289 983 HD21 LEU 29 HD21 LEU 29 6.678 17.718 5.822 984 HD22 LEU 29 HD22 LEU 29 4.958 18.166 5.833 985 HD23 LEU 29 HD23 LEU 29 6.094 19.011 4.753 986 H SER 30 H SER 30 7.076 23.198 6.250 987 HA SER 30 HA SER 30 8.625 23.101 3.772 988 HB2 SER 30 HB1 SER 30 9.972 24.890 4.813 989 HB3 SER 30 HB2 SER 30 8.230 25.252 4.803 990 HG SER 30 HG SER 30 9.228 25.728 6.822 991 H ARG 31 H ARG 31 11.149 23.005 3.915 992 HA ARG 31 HA ARG 31 11.433 20.227 4.574 993 HB2 ARG 31 HB1 ARG 31 13.782 21.877 3.722 994 HB3 ARG 31 HB2 ARG 31 13.372 20.190 3.333 995 HG2 ARG 31 HG1 ARG 31 11.287 21.489 2.180 996 HG3 ARG 31 HG2 ARG 31 12.566 22.713 2.013 997 HD2 ARG 31 HD1 ARG 31 13.704 21.506 0.447 998 HD3 ARG 31 HD2 ARG 31 13.275 19.944 1.174 999 HE ARG 31 HE ARG 31 11.287 21.604 -0.318 1000 HH11 ARG 31 HH12 ARG 31 13.059 18.541 -0.222 1001 HH12 ARG 31 HH11 ARG 31 11.858 17.707 -1.169 1002 HH21 ARG 31 HH22 ARG 31 9.681 20.384 -1.335 1003 HH22 ARG 31 HH21 ARG 31 9.997 18.725 -1.781 1004 H LYS 32 H LYS 32 12.877 23.146 6.065 1005 HA LYS 32 HA LYS 32 14.431 21.690 7.985 1006 HB2 LYS 32 HB1 LYS 32 13.475 24.535 7.714 1007 HB3 LYS 32 HB2 LYS 32 14.333 23.992 9.175 1008 HG2 LYS 32 HG1 LYS 32 16.197 23.153 7.777 1009 HG3 LYS 32 HG2 LYS 32 15.337 23.670 6.307 1010 HD2 LYS 32 HD1 LYS 32 16.290 25.516 8.525 1011 HD3 LYS 32 HD2 LYS 32 17.111 25.264 6.968 1012 HE2 LYS 32 HE1 LYS 32 14.523 25.823 6.180 1013 HE3 LYS 32 HE2 LYS 32 14.706 26.858 7.612 1014 HZ1 LYS 32 HZ1 LYS 32 15.352 27.984 5.615 1015 HZ2 LYS 32 HZ2 LYS 32 16.654 27.796 6.609 1016 HZ3 LYS 32 HZ3 LYS 32 16.483 26.835 5.278 1017 H GLU 33 H GLU 33 11.008 22.495 7.893 1018 HA GLU 33 HA GLU 33 10.512 21.899 10.689 1019 HB2 GLU 33 HB1 GLU 33 9.021 23.340 9.396 1020 HB3 GLU 33 HB2 GLU 33 8.666 22.000 8.279 1021 HG2 GLU 33 HG1 GLU 33 6.870 21.654 9.582 1022 HG3 GLU 33 HG2 GLU 33 8.021 20.887 10.698 1023 H LEU 34 H LEU 34 9.979 19.983 7.596 1024 HA LEU 34 HA LEU 34 9.056 17.635 8.826 1025 HB2 LEU 34 HB1 LEU 34 8.956 17.883 6.437 1026 HB3 LEU 34 HB2 LEU 34 10.726 18.020 6.319 1027 HG LEU 34 HG LEU 34 10.971 15.687 7.056 1028 HD11 LEU 34 HD11 LEU 34 9.032 14.161 7.231 1029 HD12 LEU 34 HD12 LEU 34 8.951 15.456 8.443 1030 HD13 LEU 34 HD13 LEU 34 7.936 15.537 6.983 1031 HD21 LEU 34 HD21 LEU 34 10.077 14.569 5.041 1032 HD22 LEU 34 HD22 LEU 34 9.009 15.960 4.750 1033 HD23 LEU 34 HD23 LEU 34 10.776 16.155 4.647 1034 H LYS 35 H LYS 35 12.422 18.617 8.182 1035 HA LYS 35 HA LYS 35 13.851 16.435 9.175 1036 HB2 LYS 35 HB1 LYS 35 14.729 18.319 7.913 1037 HB3 LYS 35 HB2 LYS 35 14.326 19.437 9.239 1038 HG2 LYS 35 HG1 LYS 35 16.087 17.362 10.191 1039 HG3 LYS 35 HG2 LYS 35 16.773 18.137 8.743 1040 HD2 LYS 35 HD1 LYS 35 17.570 19.291 10.733 1041 HD3 LYS 35 HD2 LYS 35 16.467 20.363 9.836 1042 HE2 LYS 35 HE1 LYS 35 14.621 19.704 11.361 1043 HE3 LYS 35 HE2 LYS 35 15.757 18.689 12.275 1044 HZ1 LYS 35 HZ1 LYS 35 15.412 20.801 13.327 1045 HZ2 LYS 35 HZ2 LYS 35 16.976 20.659 12.831 1046 HZ3 LYS 35 HZ3 LYS 35 15.923 21.602 11.981 1047 H GLU 36 H GLU 36 12.158 18.954 11.033 1048 HA GLU 36 HA GLU 36 13.328 18.090 13.571 1049 HB2 GLU 36 HB1 GLU 36 12.808 20.485 12.875 1050 HB3 GLU 36 HB2 GLU 36 11.086 20.073 13.068 1051 HG2 GLU 36 HG1 GLU 36 11.873 21.125 15.096 1052 HG3 GLU 36 HG2 GLU 36 11.547 19.409 15.421 1053 H LEU 37 H LEU 37 10.106 18.011 12.001 1054 HA LEU 37 HA LEU 37 8.516 16.786 13.920 1055 HB2 LEU 37 HB1 LEU 37 7.422 17.546 12.039 1056 HB3 LEU 37 HB2 LEU 37 8.620 16.846 10.923 1057 HG LEU 37 HG LEU 37 7.676 14.610 11.346 1058 HD11 LEU 37 HD11 LEU 37 5.445 14.306 12.361 1059 HD12 LEU 37 HD12 LEU 37 6.628 14.901 13.541 1060 HD13 LEU 37 HD13 LEU 37 5.437 16.016 12.829 1061 HD21 LEU 37 HD21 LEU 37 5.621 14.942 9.995 1062 HD22 LEU 37 HD22 LEU 37 5.643 16.672 10.399 1063 HD23 LEU 37 HD23 LEU 37 6.951 15.969 9.417 1064 H ILE 38 H ILE 38 10.597 15.109 11.476 1065 HA ILE 38 HA ILE 38 10.032 12.486 12.348 1066 HB ILE 38 HB ILE 38 12.449 13.653 10.950 1067 HG12 ILE 38 HG13 ILE 38 10.103 11.962 9.990 1068 HG13 ILE 38 HG12 ILE 38 10.231 13.729 9.814 1069 HG21 ILE 38 HG21 ILE 38 13.098 11.337 10.356 1070 HG22 ILE 38 HG22 ILE 38 13.164 11.595 12.114 1071 HG23 ILE 38 HG23 ILE 38 11.799 10.708 11.395 1072 HD11 ILE 38 HD11 ILE 38 10.817 12.579 7.701 1073 HD12 ILE 38 HD12 ILE 38 12.214 13.442 8.375 1074 HD13 ILE 38 HD13 ILE 38 12.088 11.675 8.552 1075 H LYS 39 H LYS 39 12.604 14.733 13.632 1076 HA LYS 39 HA LYS 39 13.438 12.713 15.534 1077 HB2 LYS 39 HB1 LYS 39 14.134 15.535 14.865 1078 HB3 LYS 39 HB2 LYS 39 14.583 14.928 16.478 1079 HG2 LYS 39 HG1 LYS 39 15.340 13.591 13.852 1080 HG3 LYS 39 HG2 LYS 39 16.393 14.697 14.766 1081 HD2 LYS 39 HD1 LYS 39 16.320 13.125 16.699 1082 HD3 LYS 39 HD2 LYS 39 15.337 12.006 15.724 1083 HE2 LYS 39 HE1 LYS 39 17.550 11.177 15.580 1084 HE3 LYS 39 HE2 LYS 39 17.266 12.013 14.040 1085 HZ1 LYS 39 HZ1 LYS 39 19.414 12.538 14.952 1086 HZ2 LYS 39 HZ2 LYS 39 18.471 13.888 14.909 1087 HZ3 LYS 39 HZ3 LYS 39 18.735 13.112 16.339 1088 H LYS 40 H LYS 40 10.685 14.781 15.582 1089 HA LYS 40 HA LYS 40 10.456 14.756 18.500 1090 HB2 LYS 40 HB1 LYS 40 8.530 15.545 16.307 1091 HB3 LYS 40 HB2 LYS 40 8.174 15.648 18.049 1092 HG2 LYS 40 HG1 LYS 40 9.457 17.519 16.289 1093 HG3 LYS 40 HG2 LYS 40 8.784 17.738 17.921 1094 HD2 LYS 40 HD1 LYS 40 11.089 16.803 18.710 1095 HD3 LYS 40 HD2 LYS 40 11.622 17.263 17.075 1096 HE2 LYS 40 HE1 LYS 40 10.707 19.542 17.423 1097 HE3 LYS 40 HE2 LYS 40 10.181 19.081 19.057 1098 HZ1 LYS 40 HZ1 LYS 40 12.250 20.270 19.093 1099 HZ2 LYS 40 HZ2 LYS 40 12.473 18.727 19.627 1100 HZ3 LYS 40 HZ3 LYS 40 12.962 19.153 18.110 1101 H GLU 41 H GLU 41 9.050 12.953 15.728 1102 HA GLU 41 HA GLU 41 7.636 11.261 17.686 1103 HB2 GLU 41 HB1 GLU 41 6.348 10.473 15.580 1104 HB3 GLU 41 HB2 GLU 41 5.935 11.974 16.443 1105 HG2 GLU 41 HG1 GLU 41 5.722 12.341 14.104 1106 HG3 GLU 41 HG2 GLU 41 7.120 13.258 14.702 1107 H LEU 42 H LEU 42 10.432 11.120 15.850 1108 HA LEU 42 HA LEU 42 10.562 8.203 16.329 1109 HB2 LEU 42 HB1 LEU 42 10.412 9.306 13.807 1110 HB3 LEU 42 HB2 LEU 42 12.168 9.143 14.050 1111 HG LEU 42 HG LEU 42 10.105 6.932 14.323 1112 HD11 LEU 42 HD11 LEU 42 11.170 5.999 12.291 1113 HD12 LEU 42 HD12 LEU 42 10.500 7.618 11.986 1114 HD13 LEU 42 HD13 LEU 42 12.253 7.408 12.215 1115 HD21 LEU 42 HD21 LEU 42 12.032 5.402 14.561 1116 HD22 LEU 42 HD22 LEU 42 13.136 6.793 14.524 1117 HD23 LEU 42 HD23 LEU 42 11.989 6.602 15.872 1118 H CYS 43 H CYS 43 12.003 7.889 17.950 1119 HA CYS 43 HA CYS 43 14.440 9.559 18.059 1120 HB2 CYS 43 HB1 CYS 43 13.062 8.952 20.145 1121 HB3 CYS 43 HB2 CYS 43 13.767 7.324 19.985 1122 HG CYS 43 HG CYS 43 15.120 8.710 21.759 1123 H LEU 44 H LEU 44 16.272 8.979 17.199 1124 HA LEU 44 HA LEU 44 17.198 6.323 16.769 1125 HB2 LEU 44 HB1 LEU 44 16.872 5.964 14.492 1126 HB3 LEU 44 HB2 LEU 44 15.297 6.509 15.115 1127 HG LEU 44 HG LEU 44 17.292 8.197 13.600 1128 HD11 LEU 44 HD11 LEU 44 15.691 8.034 11.739 1129 HD12 LEU 44 HD12 LEU 44 16.280 6.433 12.241 1130 HD13 LEU 44 HD13 LEU 44 14.657 6.979 12.727 1131 HD21 LEU 44 HD21 LEU 44 15.517 9.894 13.367 1132 HD22 LEU 44 HD22 LEU 44 14.454 8.908 14.389 1133 HD23 LEU 44 HD23 LEU 44 15.940 9.613 15.067 1134 H GLY 45 H GLY 45 17.975 9.218 17.470 1135 HA2 GLY 45 HA2 GLY 45 20.021 9.180 15.787 1136 H GLU 46 H GLU 46 20.498 7.458 16.904 1137 HA GLU 46 HA GLU 46 23.059 7.905 18.230 1138 HB2 GLU 46 HB1 GLU 46 22.427 6.908 20.313 1139 HB3 GLU 46 HB2 GLU 46 21.384 8.310 19.977 1140 HG2 GLU 46 HG1 GLU 46 20.645 5.376 19.836 1141 HG3 GLU 46 HG2 GLU 46 20.055 6.595 20.986 1142 H MET 47 H MET 47 20.639 5.649 16.865 1143 HA MET 47 HA MET 47 22.696 3.602 16.447 1144 HB2 MET 47 HB1 MET 47 20.039 3.875 15.019 1145 HB3 MET 47 HB2 MET 47 21.038 2.415 15.210 1146 HG2 MET 47 HG1 MET 47 20.378 2.131 17.463 1147 HG3 MET 47 HG2 MET 47 19.706 3.766 17.562 1148 HE1 MET 47 HE1 MET 47 16.533 3.622 15.363 1149 HE2 MET 47 HE2 MET 47 17.507 4.564 16.519 1150 HE3 MET 47 HE3 MET 47 18.168 4.167 14.916 1151 H LYS 48 H LYS 48 21.161 6.251 14.616 1152 HA LYS 48 HA LYS 48 22.426 5.365 12.084 1153 HB2 LYS 48 HB1 LYS 48 19.889 6.896 12.717 1154 HB3 LYS 48 HB2 LYS 48 20.516 6.648 11.069 1155 HG2 LYS 48 HG1 LYS 48 19.517 4.518 12.959 1156 HG3 LYS 48 HG2 LYS 48 18.682 5.155 11.523 1157 HD2 LYS 48 HD1 LYS 48 19.619 3.300 10.558 1158 HD3 LYS 48 HD2 LYS 48 21.005 4.401 10.371 1159 HE2 LYS 48 HE1 LYS 48 22.091 3.531 12.294 1160 HE3 LYS 48 HE2 LYS 48 20.617 2.707 12.851 1161 HZ1 LYS 48 HZ1 LYS 48 22.195 1.169 11.916 1162 HZ2 LYS 48 HZ2 LYS 48 20.828 1.213 10.996 1163 HZ3 LYS 48 HZ3 LYS 48 22.195 1.976 10.479 1164 H GLU 49 H GLU 49 23.348 6.807 10.660 1165 HA GLU 49 HA GLU 49 24.596 9.210 11.905 1166 HB2 GLU 49 HB1 GLU 49 25.639 6.872 12.370 1167 HB3 GLU 49 HB2 GLU 49 26.117 6.907 10.655 1168 HG2 GLU 49 HG1 GLU 49 26.934 9.375 11.824 1169 HG3 GLU 49 HG2 GLU 49 27.436 8.068 12.918 1170 H SER 50 H SER 50 26.705 9.262 9.737 1171 HA SER 50 HA SER 50 25.295 10.471 7.605 1172 HB2 SER 50 HB1 SER 50 27.378 10.553 6.421 1173 HB3 SER 50 HB2 SER 50 27.672 10.900 8.143 1174 HG SER 50 HG SER 50 29.210 9.454 7.251 1175 H SER 51 H SER 51 25.588 9.731 5.232 1176 HA SER 51 HA SER 51 24.771 8.425 3.585 1177 HB2 SER 51 HB1 SER 51 24.577 5.944 5.283 1178 HB3 SER 51 HB2 SER 51 24.836 6.099 3.529 1179 HG SER 51 HG SER 51 26.743 5.499 4.661 1180 H ILE 52 H ILE 52 23.070 8.014 6.812 1181 HA ILE 52 HA ILE 52 20.762 8.763 5.134 1182 HB ILE 52 HB ILE 52 19.276 8.578 6.967 1183 HG12 ILE 52 HG13 ILE 52 19.935 7.239 9.009 1184 HG13 ILE 52 HG12 ILE 52 21.604 7.758 8.678 1185 HG21 ILE 52 HG21 ILE 52 19.305 6.110 7.106 1186 HG22 ILE 52 HG22 ILE 52 19.726 6.686 5.479 1187 HG23 ILE 52 HG23 ILE 52 21.002 6.111 6.580 1188 HD11 ILE 52 HD11 ILE 52 20.541 9.213 10.384 1189 HD12 ILE 52 HD12 ILE 52 20.917 10.117 8.902 1190 HD13 ILE 52 HD13 ILE 52 19.246 9.600 9.232 1191 H ASP 53 H ASP 53 23.109 10.298 7.235 1192 HA ASP 53 HA ASP 53 21.640 12.627 7.837 1193 HB2 ASP 53 HB1 ASP 53 23.910 12.133 8.727 1194 HB3 ASP 53 HB2 ASP 53 24.590 12.534 7.135 1195 H ASP 54 H ASP 54 23.259 11.764 4.703 1196 HA ASP 54 HA ASP 54 22.818 14.342 3.555 1197 HB2 ASP 54 HB1 ASP 54 24.357 12.609 2.610 1198 HB3 ASP 54 HB2 ASP 54 22.927 11.718 2.043 1199 H LEU 55 H LEU 55 20.562 11.703 4.112 1200 HA LEU 55 HA LEU 55 18.517 12.663 2.323 1201 HB2 LEU 55 HB1 LEU 55 18.128 11.127 4.904 1202 HB3 LEU 55 HB2 LEU 55 16.994 11.259 3.539 1203 HG LEU 55 HG LEU 55 19.704 9.891 3.445 1204 HD11 LEU 55 HD11 LEU 55 18.387 7.793 3.395 1205 HD12 LEU 55 HD12 LEU 55 18.085 8.709 4.889 1206 HD13 LEU 55 HD13 LEU 55 16.886 8.731 3.575 1207 HD21 LEU 55 HD21 LEU 55 18.945 9.004 1.263 1208 HD22 LEU 55 HD22 LEU 55 17.447 9.950 1.402 1209 HD23 LEU 55 HD23 LEU 55 19.014 10.780 1.251 1210 H MET 56 H MET 56 18.892 13.045 5.903 1211 HA MET 56 HA MET 56 17.086 15.151 6.298 1212 HB2 MET 56 HB1 MET 56 19.696 14.371 7.639 1213 HB3 MET 56 HB2 MET 56 18.650 15.670 8.260 1214 HG2 MET 56 HG1 MET 56 17.741 12.811 7.761 1215 HG3 MET 56 HG2 MET 56 18.261 13.431 9.337 1216 HE1 MET 56 HE1 MET 56 15.149 14.414 10.898 1217 HE2 MET 56 HE2 MET 56 16.297 13.058 10.765 1218 HE3 MET 56 HE3 MET 56 16.904 14.723 10.931 1219 H LYS 57 H LYS 57 20.463 15.336 5.096 1220 HA LYS 57 HA LYS 57 20.496 18.223 5.117 1221 HB2 LYS 57 HB1 LYS 57 22.474 16.584 5.247 1222 HB3 LYS 57 HB2 LYS 57 22.291 16.410 3.485 1223 HG2 LYS 57 HG1 LYS 57 24.055 18.068 4.180 1224 HG3 LYS 57 HG2 LYS 57 22.789 18.760 3.140 1225 HD2 LYS 57 HD1 LYS 57 21.702 19.803 4.972 1226 HD3 LYS 57 HD2 LYS 57 22.608 18.838 6.160 1227 HE2 LYS 57 HE1 LYS 57 23.695 20.839 6.383 1228 HE3 LYS 57 HE2 LYS 57 24.680 20.113 5.094 1229 HZ1 LYS 57 HZ1 LYS 57 24.067 22.366 4.580 1230 HZ2 LYS 57 HZ2 LYS 57 23.377 21.331 3.499 1231 HZ3 LYS 57 HZ3 LYS 57 22.462 22.004 4.694 1232 H SER 58 H SER 58 19.558 15.796 2.821 1233 HA SER 58 HA SER 58 19.228 17.435 0.525 1234 HB2 SER 58 HB1 SER 58 18.158 14.721 1.240 1235 HB3 SER 58 HB2 SER 58 17.666 15.564 -0.249 1236 HG SER 58 HG SER 58 19.546 14.263 -0.544 1237 H LEU 59 H LEU 59 17.084 16.879 3.304 1238 HA LEU 59 HA LEU 59 14.875 18.380 2.267 1239 HB2 LEU 59 HB1 LEU 59 15.861 18.093 5.127 1240 HB3 LEU 59 HB2 LEU 59 14.250 18.656 4.621 1241 HG LEU 59 HG LEU 59 15.405 15.872 4.257 1242 HD11 LEU 59 HD11 LEU 59 13.602 15.211 5.822 1243 HD12 LEU 59 HD12 LEU 59 14.694 16.405 6.560 1244 HD13 LEU 59 HD13 LEU 59 13.099 16.912 5.955 1245 HD21 LEU 59 HD21 LEU 59 13.188 15.236 3.355 1246 HD22 LEU 59 HD22 LEU 59 12.667 16.932 3.449 1247 HD23 LEU 59 HD23 LEU 59 13.973 16.462 2.335 1248 H ASP 60 H ASP 60 17.623 19.405 4.353 1249 HA ASP 60 HA ASP 60 17.142 22.190 4.211 1250 HB2 ASP 60 HB1 ASP 60 18.479 21.093 5.922 1251 HB3 ASP 60 HB2 ASP 60 19.680 20.601 4.708 1252 H LYS 61 H LYS 61 18.618 20.116 1.828 1253 HA LYS 61 HA LYS 61 20.297 21.801 0.354 1254 HB2 LYS 61 HB1 LYS 61 19.411 19.247 0.299 1255 HB3 LYS 61 HB2 LYS 61 18.512 19.915 -1.084 1256 HG2 LYS 61 HG1 LYS 61 20.309 18.856 -2.038 1257 HG3 LYS 61 HG2 LYS 61 20.779 20.572 -2.026 1258 HD2 LYS 61 HD1 LYS 61 22.669 19.155 -1.530 1259 HD3 LYS 61 HD2 LYS 61 22.254 20.181 -0.136 1260 HE2 LYS 61 HE1 LYS 61 22.900 18.172 0.816 1261 HE3 LYS 61 HE2 LYS 61 21.125 18.103 0.839 1262 HZ1 LYS 61 HZ1 LYS 61 22.088 16.002 0.222 1263 HZ2 LYS 61 HZ2 LYS 61 21.222 16.626 -1.029 1264 HZ3 LYS 61 HZ3 LYS 61 22.870 16.690 -1.050 1265 H ASN 62 H ASN 62 16.711 21.648 0.272 1266 HA ASN 62 HA ASN 62 16.810 24.290 -1.074 1267 HB2 ASN 62 HB1 ASN 62 14.828 22.046 -1.513 1268 HB3 ASN 62 HB2 ASN 62 14.522 23.722 -2.020 1269 HD21 ASN 62 HD21 ASN 62 16.535 24.714 -3.228 1270 HD22 ASN 62 HD22 ASN 62 17.242 23.692 -4.463 1271 H SER 63 H SER 63 15.419 22.503 1.681 1272 HA SER 63 HA SER 63 15.667 23.420 3.709 1273 HB2 SER 63 HB1 SER 63 17.150 25.118 2.254 1274 HB3 SER 63 HB2 SER 63 15.913 26.253 2.843 1275 HG SER 63 HG SER 63 17.711 26.074 4.276 1276 H ASP 64 H ASP 64 13.721 25.749 1.775 1277 HA ASP 64 HA ASP 64 11.871 26.030 4.098 1278 HB2 ASP 64 HB1 ASP 64 12.913 28.145 2.173 1279 HB3 ASP 64 HB2 ASP 64 11.630 28.414 3.371 1280 H GLN 65 H GLN 65 12.266 25.285 0.782 1281 HA GLN 65 HA GLN 65 9.737 25.718 -0.356 1282 HB2 GLN 65 HB1 GLN 65 11.828 23.530 -0.515 1283 HB3 GLN 65 HB2 GLN 65 10.319 23.426 -1.456 1284 HG2 GLN 65 HG1 GLN 65 12.368 25.648 -1.666 1285 HG3 GLN 65 HG2 GLN 65 12.245 24.255 -2.763 1286 HE21 GLN 65 HE12 GLN 65 9.346 24.221 -3.136 1287 HE22 GLN 65 HE22 GLN 65 8.931 25.681 -4.001 1288 H GLU 66 H GLU 66 7.861 24.349 -0.489 1289 HA GLU 66 HA GLU 66 7.295 22.826 1.915 1290 HB2 GLU 66 HB1 GLU 66 5.692 23.311 -0.614 1291 HB3 GLU 66 HB2 GLU 66 5.082 22.455 0.824 1292 HG2 GLU 66 HG1 GLU 66 5.309 24.460 2.179 1293 HG3 GLU 66 HG2 GLU 66 6.105 25.323 0.846 1294 H ILE 67 H ILE 67 6.445 20.718 1.945 1295 HA ILE 67 HA ILE 67 7.389 18.745 -0.073 1296 HB ILE 67 HB ILE 67 7.624 18.733 2.970 1297 HG12 ILE 67 HG13 ILE 67 9.712 18.258 0.821 1298 HG13 ILE 67 HG12 ILE 67 9.416 19.829 1.603 1299 HG21 ILE 67 HG21 ILE 67 8.411 16.395 2.808 1300 HG22 ILE 67 HG22 ILE 67 6.732 16.553 2.243 1301 HG23 ILE 67 HG23 ILE 67 8.057 16.397 1.066 1302 HD11 ILE 67 HD11 ILE 67 11.369 18.691 2.600 1303 HD12 ILE 67 HD12 ILE 67 10.049 18.869 3.775 1304 HD13 ILE 67 HD13 ILE 67 10.346 17.296 2.994 1305 H ASP 68 H ASP 68 5.949 17.199 -0.553 1306 HA ASP 68 HA ASP 68 3.316 17.018 0.784 1307 HB2 ASP 68 HB1 ASP 68 3.095 17.322 -1.544 1308 HB3 ASP 68 HB2 ASP 68 4.455 16.237 -1.911 1309 H PHE 69 H PHE 69 2.373 14.943 1.112 1310 HA PHE 69 HA PHE 69 3.522 13.108 2.739 1311 HB2 PHE 69 HB1 PHE 69 1.200 13.163 0.857 1312 HB3 PHE 69 HB2 PHE 69 1.637 11.589 1.543 1313 HD1 PHE 69 HD1 PHE 69 1.640 11.255 4.008 1314 HD2 PHE 69 HD2 PHE 69 0.103 14.852 2.202 1315 HE1 PHE 69 HE1 PHE 69 0.467 11.814 6.128 1316 HE2 PHE 69 HE2 PHE 69 -1.137 15.366 4.294 1317 HZ PHE 69 HZ PHE 69 -0.959 13.845 6.252 1318 H LYS 70 H LYS 70 3.986 12.986 -0.822 1319 HA LYS 70 HA LYS 70 4.776 10.249 -0.970 1320 HB2 LYS 70 HB1 LYS 70 4.891 12.678 -2.614 1321 HB3 LYS 70 HB2 LYS 70 6.306 11.623 -2.845 1322 HG2 LYS 70 HG1 LYS 70 4.628 11.109 -4.502 1323 HG3 LYS 70 HG2 LYS 70 4.782 9.744 -3.369 1324 HD2 LYS 70 HD1 LYS 70 2.687 10.097 -2.443 1325 HD3 LYS 70 HD2 LYS 70 2.700 11.840 -2.804 1326 HE2 LYS 70 HE1 LYS 70 1.096 10.676 -4.251 1327 HE3 LYS 70 HE2 LYS 70 2.436 11.341 -5.208 1328 HZ1 LYS 70 HZ1 LYS 70 1.878 9.119 -5.889 1329 HZ2 LYS 70 HZ2 LYS 70 3.402 9.155 -5.263 1330 HZ3 LYS 70 HZ3 LYS 70 2.158 8.536 -4.375 1331 H GLU 71 H GLU 71 6.753 13.261 -0.719 1332 HA GLU 71 HA GLU 71 9.258 11.961 -0.535 1333 HB2 GLU 71 HB1 GLU 71 8.662 14.536 0.915 1334 HB3 GLU 71 HB2 GLU 71 10.199 13.980 0.211 1335 HG2 GLU 71 HG1 GLU 71 9.084 14.209 -2.067 1336 HG3 GLU 71 HG2 GLU 71 7.759 15.048 -1.232 1337 H TYR 72 H TYR 72 6.896 12.990 1.913 1338 HA TYR 72 HA TYR 72 8.284 12.328 4.277 1339 HB2 TYR 72 HB1 TYR 72 6.299 13.699 4.184 1340 HB3 TYR 72 HB2 TYR 72 5.345 12.349 3.545 1341 HD1 TYR 72 HD2 TYR 72 7.574 12.847 6.555 1342 HD2 TYR 72 HD1 TYR 72 3.773 11.548 5.015 1343 HE1 TYR 72 HE2 TYR 72 6.742 12.563 8.880 1344 HE2 TYR 72 HE1 TYR 72 2.947 11.206 7.336 1345 HH TYR 72 HH TYR 72 4.942 12.044 10.205 1346 H SER 73 H SER 73 5.946 10.296 2.428 1347 HA SER 73 HA SER 73 6.226 7.954 3.987 1348 HB2 SER 73 HB1 SER 73 4.363 8.385 2.491 1349 HB3 SER 73 HB2 SER 73 5.453 8.398 1.083 1350 HG SER 73 HG SER 73 4.361 6.403 1.346 1351 H VAL 74 H VAL 74 8.014 8.817 0.891 1352 HA VAL 74 HA VAL 74 9.449 6.344 0.936 1353 HB VAL 74 HB VAL 74 11.062 7.267 -0.595 1354 HG11 VAL 74 HG11 VAL 74 9.566 7.663 -2.507 1355 HG12 VAL 74 HG12 VAL 74 8.975 6.359 -1.456 1356 HG13 VAL 74 HG13 VAL 74 8.230 7.974 -1.381 1357 HG21 VAL 74 HG21 VAL 74 10.912 9.508 -1.604 1358 HG22 VAL 74 HG22 VAL 74 9.636 9.926 -0.447 1359 HG23 VAL 74 HG23 VAL 74 11.283 9.577 0.127 1360 H PHE 75 H PHE 75 10.100 9.471 2.449 1361 HA PHE 75 HA PHE 75 12.872 8.950 3.080 1362 HB2 PHE 75 HB1 PHE 75 11.720 11.171 2.716 1363 HB3 PHE 75 HB2 PHE 75 10.921 10.935 4.279 1364 HD1 PHE 75 HD1 PHE 75 12.554 10.550 6.355 1365 HD2 PHE 75 HD2 PHE 75 13.678 12.303 2.583 1366 HE1 PHE 75 HE1 PHE 75 14.465 11.702 7.455 1367 HE2 PHE 75 HE2 PHE 75 15.520 13.524 3.702 1368 HZ PHE 75 HZ PHE 75 15.946 13.189 6.125 1369 H LEU 76 H LEU 76 9.826 9.016 5.077 1370 HA LEU 76 HA LEU 76 10.860 7.931 7.436 1371 HB2 LEU 76 HB1 LEU 76 8.204 7.574 6.028 1372 HB3 LEU 76 HB2 LEU 76 8.538 6.886 7.636 1373 HG LEU 76 HG LEU 76 8.506 9.836 6.911 1374 HD11 LEU 76 HD11 LEU 76 6.460 9.822 8.304 1375 HD12 LEU 76 HD12 LEU 76 6.303 8.713 6.920 1376 HD13 LEU 76 HD13 LEU 76 6.631 8.065 8.544 1377 HD21 LEU 76 HD21 LEU 76 8.747 10.243 9.332 1378 HD22 LEU 76 HD22 LEU 76 8.932 8.495 9.607 1379 HD23 LEU 76 HD23 LEU 76 10.160 9.385 8.676 1380 H THR 77 H THR 77 9.615 6.121 4.538 1381 HA THR 77 HA THR 77 10.111 3.538 5.626 1382 HB THR 77 HB THR 77 9.939 4.410 2.723 1383 HG1 THR 77 HG1 THR 77 7.790 3.655 3.063 1384 HG21 THR 77 HG21 THR 77 9.349 2.034 2.301 1385 HG22 THR 77 HG22 THR 77 10.992 2.172 2.968 1386 HG23 THR 77 HG23 THR 77 9.646 1.657 4.014 1387 H MET 78 H MET 78 12.125 5.588 3.485 1388 HA MET 78 HA MET 78 14.304 3.795 3.175 1389 HB2 MET 78 HB1 MET 78 13.797 5.669 1.722 1390 HB3 MET 78 HB2 MET 78 14.070 6.814 3.057 1391 HG2 MET 78 HG1 MET 78 16.382 6.533 2.985 1392 HG3 MET 78 HG2 MET 78 16.271 5.016 2.078 1393 HE1 MET 78 HE1 MET 78 15.123 9.090 0.114 1394 HE2 MET 78 HE2 MET 78 14.054 8.142 1.172 1395 HE3 MET 78 HE3 MET 78 15.501 8.934 1.844 1396 H LEU 79 H LEU 79 13.688 6.278 5.657 1397 HA LEU 79 HA LEU 79 16.260 5.986 6.944 1398 HB2 LEU 79 HB1 LEU 79 14.912 8.049 6.919 1399 HB3 LEU 79 HB2 LEU 79 13.655 7.229 7.874 1400 HG LEU 79 HG LEU 79 15.066 7.105 9.790 1401 HD11 LEU 79 HD11 LEU 79 17.396 7.944 9.848 1402 HD12 LEU 79 HD12 LEU 79 17.228 6.582 8.721 1403 HD13 LEU 79 HD13 LEU 79 17.326 8.247 8.098 1404 HD21 LEU 79 HD21 LEU 79 15.481 9.520 10.184 1405 HD22 LEU 79 HD22 LEU 79 15.374 9.824 8.434 1406 HD23 LEU 79 HD23 LEU 79 13.941 9.265 9.331 1407 H CYS 80 H CYS 80 12.938 4.789 7.706 1408 HA CYS 80 HA CYS 80 13.561 3.234 9.975 1409 HB2 CYS 80 HB1 CYS 80 11.305 3.813 9.054 1410 HB3 CYS 80 HB2 CYS 80 11.588 2.673 7.715 1411 HG CYS 80 HG CYS 80 9.969 1.608 9.464 1412 H MET 81 H MET 81 13.710 2.305 6.499 1413 HA MET 81 HA MET 81 14.636 -0.346 6.921 1414 HB2 MET 81 HB1 MET 81 13.626 0.877 4.816 1415 HB3 MET 81 HB2 MET 81 15.339 1.167 4.432 1416 HG2 MET 81 HG1 MET 81 15.643 -1.370 4.921 1417 HG3 MET 81 HG2 MET 81 13.883 -1.465 4.752 1418 HE1 MET 81 HE1 MET 81 17.034 -0.561 1.584 1419 HE2 MET 81 HE2 MET 81 16.845 0.426 3.058 1420 HE3 MET 81 HE3 MET 81 17.278 -1.295 3.192 1421 H ALA 82 H ALA 82 16.372 2.683 7.185 1422 HA ALA 82 HA ALA 82 18.970 1.590 6.715 1423 HB1 ALA 82 HB1 ALA 82 19.784 3.681 7.727 1424 HB2 ALA 82 HB2 ALA 82 18.487 3.982 6.548 1425 HB3 ALA 82 HB3 ALA 82 18.137 4.045 8.291 1426 H TYR 83 H TYR 83 16.861 0.931 9.315 1427 HA TYR 83 HA TYR 83 19.064 -0.440 10.684 1428 HB2 TYR 83 HB1 TYR 83 18.323 0.309 12.910 1429 HB3 TYR 83 HB2 TYR 83 18.960 1.622 11.906 1430 HD1 TYR 83 HD1 TYR 83 15.939 0.200 13.481 1431 HD2 TYR 83 HD2 TYR 83 17.506 3.362 11.031 1432 HE1 TYR 83 HE1 TYR 83 13.849 1.493 13.811 1433 HE2 TYR 83 HE2 TYR 83 15.502 4.746 11.491 1434 HH TYR 83 HH TYR 83 13.420 4.802 12.540 1435 H ASN 84 H ASN 84 16.295 -0.942 9.154 1436 HA ASN 84 HA ASN 84 15.295 -2.950 11.048 1437 HB2 ASN 84 HB1 ASN 84 14.310 -1.879 8.452 1438 HB3 ASN 84 HB2 ASN 84 13.801 -3.503 8.963 1439 HD21 ASN 84 HD21 ASN 84 14.177 -0.241 10.493 1440 HD22 ASN 84 HD22 ASN 84 12.637 -0.302 11.339 1441 H ASP 85 H ASP 85 18.046 -3.066 9.991 1442 HA ASP 85 HA ASP 85 18.396 -5.251 8.257 1443 HB2 ASP 85 HB1 ASP 85 20.650 -5.381 9.480 1444 HB3 ASP 85 HB2 ASP 85 20.234 -3.831 8.716 1445 H PHE 86 H PHE 86 17.367 -5.264 11.594 1446 HA PHE 86 HA PHE 86 17.709 -7.873 12.413 1447 HB2 PHE 86 HB1 PHE 86 15.207 -6.151 12.585 1448 HB3 PHE 86 HB2 PHE 86 15.576 -7.542 13.618 1449 HD1 PHE 86 HD2 PHE 86 17.656 -7.415 15.124 1450 HD2 PHE 86 HD1 PHE 86 15.963 -3.979 13.158 1451 HE1 PHE 86 HE2 PHE 86 18.853 -5.918 16.707 1452 HE2 PHE 86 HE1 PHE 86 17.176 -2.483 14.727 1453 HZ PHE 86 HZ PHE 86 18.626 -3.452 16.501 1454 H PHE 87 H PHE 87 15.276 -6.779 9.909 1455 HA PHE 87 HA PHE 87 14.411 -9.547 9.637 1456 HB2 PHE 87 HB1 PHE 87 12.869 -8.801 7.939 1457 HB3 PHE 87 HB2 PHE 87 12.705 -7.956 9.488 1458 HD1 PHE 87 HD2 PHE 87 14.929 -7.131 6.530 1459 HD2 PHE 87 HD1 PHE 87 11.549 -6.051 8.967 1460 HE1 PHE 87 HE2 PHE 87 14.786 -4.941 5.367 1461 HE2 PHE 87 HE1 PHE 87 11.331 -3.916 7.717 1462 HZ PHE 87 HZ PHE 87 13.016 -3.315 5.995 1463 H LEU 88 H LEU 88 17.192 -8.264 8.734 1464 HA LEU 88 HA LEU 88 17.404 -9.880 6.270 1465 HB2 LEU 88 HB1 LEU 88 18.501 -7.201 6.980 1466 HB3 LEU 88 HB2 LEU 88 19.545 -8.275 6.017 1467 HG LEU 88 HG LEU 88 16.642 -7.999 5.311 1468 HD11 LEU 88 HD11 LEU 88 17.061 -6.158 3.735 1469 HD12 LEU 88 HD12 LEU 88 17.349 -5.669 5.417 1470 HD13 LEU 88 HD13 LEU 88 18.723 -6.029 4.343 1471 HD21 LEU 88 HD21 LEU 88 17.474 -8.502 3.028 1472 HD22 LEU 88 HD22 LEU 88 19.144 -8.458 3.634 1473 HD23 LEU 88 HD23 LEU 88 18.022 -9.716 4.205 1474 H GLU 89 H GLU 89 20.106 -8.780 8.238 1475 HA GLU 89 HA GLU 89 21.513 -11.096 8.651 1476 HB2 GLU 89 HB1 GLU 89 20.490 -11.573 6.263 1477 HB3 GLU 89 HB2 GLU 89 21.768 -10.471 5.699 1478 HG2 GLU 89 HG1 GLU 89 23.465 -11.942 6.754 1479 HG3 GLU 89 HG2 GLU 89 22.169 -13.061 7.231 1480 H ASP 90 H ASP 90 21.325 -7.847 7.386 1481 HA ASP 90 HA ASP 90 22.709 -6.157 6.954 1482 HB2 ASP 90 HB1 ASP 90 23.117 -6.462 9.418 1483 HB3 ASP 90 HB2 ASP 90 24.648 -7.254 8.985 1484 H ASN 91 H ASN 91 22.843 -7.365 4.812 1485 HA ASN 91 HA ASN 91 25.544 -8.003 4.025 1486 HB2 ASN 91 HB1 ASN 91 24.482 -9.877 5.656 1487 HB3 ASN 91 HB2 ASN 91 23.877 -10.485 4.099 1488 HD21 ASN 91 HD21 ASN 91 26.870 -9.260 5.646 1489 HD22 ASN 91 HD22 ASN 91 27.955 -10.347 4.802 1490 H LYS 92 H LYS 92 22.350 -7.430 3.192 1491 HA LYS 92 HA LYS 92 22.846 -7.523 0.308 1492 HB2 LYS 92 HB1 LYS 92 20.617 -9.085 1.660 1493 HB3 LYS 92 HB2 LYS 92 20.550 -8.580 -0.046 1494 HG2 LYS 92 HG1 LYS 92 21.451 -10.623 -0.404 1495 HG3 LYS 92 HG2 LYS 92 22.972 -9.789 -0.011 1496 HD2 LYS 92 HD1 LYS 92 22.486 -10.512 2.437 1497 HD3 LYS 92 HD2 LYS 92 21.329 -11.653 1.713 1498 HE2 LYS 92 HE1 LYS 92 23.035 -12.776 0.490 1499 HE3 LYS 92 HE2 LYS 92 24.201 -11.460 0.750 1500 HZ1 LYS 92 HZ1 LYS 92 24.650 -13.334 2.157 1501 HZ2 LYS 92 HZ2 LYS 92 24.231 -12.028 3.072 1502 HZ3 LYS 92 HZ3 LYS 92 23.149 -13.250 2.832 Start of MODEL 16 1 HA MET 1 HA MET 1 6.123 1.746 23.696 2 HB2 MET 1 HB1 MET 1 4.847 3.696 25.622 3 HB3 MET 1 HB2 MET 1 4.708 3.808 23.850 4 HG2 MET 1 HG1 MET 1 2.739 2.735 24.739 5 HG3 MET 1 HG2 MET 1 3.683 1.562 23.804 6 HE1 MET 1 HE1 MET 1 1.660 0.232 27.279 7 HE2 MET 1 HE2 MET 1 1.464 1.891 26.671 8 HE3 MET 1 HE3 MET 1 1.352 0.513 25.551 9 H GLU 2 H GLU 2 6.977 3.308 22.247 10 HA GLU 2 HA GLU 2 9.576 4.153 23.451 11 HB2 GLU 2 HB1 GLU 2 8.944 2.929 20.736 12 HB3 GLU 2 HB2 GLU 2 10.560 3.409 21.303 13 HG2 GLU 2 HG1 GLU 2 10.268 0.984 21.455 14 HG3 GLU 2 HG2 GLU 2 10.456 1.697 23.072 15 H THR 3 H THR 3 7.622 4.607 20.529 16 HA THR 3 HA THR 3 7.587 7.510 20.667 17 HB THR 3 HB THR 3 8.479 7.729 18.318 18 HG1 THR 3 HG1 THR 3 9.889 6.042 17.667 19 HG21 THR 3 HG21 THR 3 10.876 7.740 18.950 20 HG22 THR 3 HG22 THR 3 9.866 8.428 20.239 21 HG23 THR 3 HG23 THR 3 10.495 6.768 20.387 22 HA PRO 4 HA PRO 4 3.788 6.266 18.960 23 HB2 PRO 4 HB1 PRO 4 2.641 8.588 18.103 24 HB3 PRO 4 HB2 PRO 4 3.047 8.294 19.825 25 HG2 PRO 4 HG1 PRO 4 4.657 9.834 17.778 26 HG3 PRO 4 HG2 PRO 4 4.233 10.336 19.447 27 HD2 PRO 4 HD1 PRO 4 6.649 9.178 18.789 28 HD3 PRO 4 HD2 PRO 4 5.858 8.900 20.370 29 H LEU 5 H LEU 5 5.622 8.333 16.626 30 HA LEU 5 HA LEU 5 4.220 7.512 14.300 31 HB2 LEU 5 HB1 LEU 5 5.712 9.469 14.468 32 HB3 LEU 5 HB2 LEU 5 7.111 8.378 14.610 33 HG LEU 5 HG LEU 5 6.742 7.556 12.345 34 HD11 LEU 5 HD11 LEU 5 5.080 8.588 10.818 35 HD12 LEU 5 HD12 LEU 5 4.285 7.765 12.178 36 HD13 LEU 5 HD13 LEU 5 4.435 9.539 12.173 37 HD21 LEU 5 HD21 LEU 5 7.310 9.648 11.143 38 HD22 LEU 5 HD22 LEU 5 6.700 10.600 12.518 39 HD23 LEU 5 HD23 LEU 5 8.135 9.567 12.719 40 H GLU 6 H GLU 6 6.967 5.976 16.037 41 HA GLU 6 HA GLU 6 7.559 3.984 14.148 42 HB2 GLU 6 HB1 GLU 6 8.926 4.285 16.107 43 HB3 GLU 6 HB2 GLU 6 7.569 3.858 17.179 44 HG2 GLU 6 HG1 GLU 6 9.364 2.075 16.806 45 HG3 GLU 6 HG2 GLU 6 7.672 1.576 16.591 46 H LYS 7 H LYS 7 4.649 4.238 16.257 47 HA LYS 7 HA LYS 7 4.037 1.457 15.798 48 HB2 LYS 7 HB1 LYS 7 2.207 3.575 16.894 49 HB3 LYS 7 HB2 LYS 7 1.996 1.811 16.987 50 HG2 LYS 7 HG1 LYS 7 3.820 3.613 18.531 51 HG3 LYS 7 HG2 LYS 7 2.838 2.236 19.082 52 HD2 LYS 7 HD1 LYS 7 4.521 0.813 17.663 53 HD3 LYS 7 HD2 LYS 7 5.566 2.249 17.800 54 HE2 LYS 7 HE1 LYS 7 5.389 2.136 20.247 55 HE3 LYS 7 HE2 LYS 7 4.358 0.696 20.106 56 HZ1 LYS 7 HZ1 LYS 7 6.650 0.112 20.489 57 HZ2 LYS 7 HZ2 LYS 7 6.175 -0.418 19.000 58 HZ3 LYS 7 HZ3 LYS 7 7.132 0.918 19.132 59 H ALA 8 H ALA 8 3.464 4.300 13.859 60 HA ALA 8 HA ALA 8 1.810 2.922 11.958 61 HB1 ALA 8 HB1 ALA 8 2.579 4.683 10.403 62 HB2 ALA 8 HB2 ALA 8 2.097 5.369 11.972 63 HB3 ALA 8 HB3 ALA 8 3.822 5.173 11.577 64 H LEU 9 H LEU 9 5.395 3.278 12.247 65 HA LEU 9 HA LEU 9 5.966 1.843 9.845 66 HB2 LEU 9 HB1 LEU 9 7.564 2.802 12.183 67 HB3 LEU 9 HB2 LEU 9 8.288 1.627 11.059 68 HG LEU 9 HG LEU 9 8.936 3.921 10.546 69 HD11 LEU 9 HD11 LEU 9 8.430 3.933 8.124 70 HD12 LEU 9 HD12 LEU 9 8.824 2.302 8.705 71 HD13 LEU 9 HD13 LEU 9 7.130 2.755 8.397 72 HD21 LEU 9 HD21 LEU 9 7.348 5.583 9.644 73 HD22 LEU 9 HD22 LEU 9 6.007 4.465 9.967 74 HD23 LEU 9 HD23 LEU 9 6.954 5.137 11.317 75 H THR 10 H THR 10 6.411 0.701 13.278 76 HA THR 10 HA THR 10 6.656 -1.969 13.159 77 HB THR 10 HB THR 10 4.703 -0.329 14.783 78 HG1 THR 10 HG1 THR 10 6.249 -0.739 16.440 79 HG21 THR 10 HG21 THR 10 4.517 -2.211 16.403 80 HG22 THR 10 HG22 THR 10 3.873 -2.662 14.813 81 HG23 THR 10 HG23 THR 10 5.485 -3.224 15.314 82 H THR 11 H THR 11 3.484 -0.339 12.561 83 HA THR 11 HA THR 11 2.113 -2.827 12.057 84 HB THR 11 HB THR 11 1.308 0.037 11.456 85 HG1 THR 11 HG1 THR 11 0.171 -0.298 13.434 86 HG21 THR 11 HG21 THR 11 -1.008 -0.858 11.484 87 HG22 THR 11 HG22 THR 11 -0.051 -1.605 10.186 88 HG23 THR 11 HG23 THR 11 -0.366 -2.502 11.691 89 H MET 12 H MET 12 3.330 -0.226 9.879 90 HA MET 12 HA MET 12 2.538 -1.460 7.446 91 HB2 MET 12 HB1 MET 12 3.120 0.954 7.910 92 HB3 MET 12 HB2 MET 12 4.833 0.470 7.943 93 HG2 MET 12 HG1 MET 12 4.594 -0.434 5.652 94 HG3 MET 12 HG2 MET 12 2.912 0.121 5.623 95 HE1 MET 12 HE1 MET 12 3.241 4.006 5.567 96 HE2 MET 12 HE2 MET 12 2.144 2.609 5.456 97 HE3 MET 12 HE3 MET 12 3.001 2.950 6.979 98 H VAL 13 H VAL 13 5.609 -1.753 9.310 99 HA VAL 13 HA VAL 13 6.851 -3.457 7.360 100 HB VAL 13 HB VAL 13 8.564 -3.940 8.930 101 HG11 VAL 13 HG11 VAL 13 9.443 -1.673 9.329 102 HG12 VAL 13 HG12 VAL 13 8.672 -1.818 7.736 103 HG13 VAL 13 HG13 VAL 13 7.817 -1.008 9.070 104 HG21 VAL 13 HG21 VAL 13 8.690 -3.090 11.232 105 HG22 VAL 13 HG22 VAL 13 7.029 -2.485 11.085 106 HG23 VAL 13 HG23 VAL 13 7.352 -4.234 11.010 107 H THR 14 H THR 14 4.917 -4.129 10.321 108 HA THR 14 HA THR 14 5.151 -6.949 10.299 109 HB THR 14 HB THR 14 2.840 -5.186 11.167 110 HG1 THR 14 HG1 THR 14 3.786 -5.736 13.192 111 HG21 THR 14 HG21 THR 14 2.065 -7.142 12.494 112 HG22 THR 14 HG22 THR 14 2.013 -7.493 10.753 113 HG23 THR 14 HG23 THR 14 3.336 -8.140 11.753 114 H THR 15 H THR 15 2.710 -4.843 8.703 115 HA THR 15 HA THR 15 1.233 -6.953 7.559 116 HB THR 15 HB THR 15 0.489 -5.082 5.905 117 HG1 THR 15 HG1 THR 15 0.808 -3.017 6.834 118 HG21 THR 15 HG21 THR 15 -1.036 -4.215 7.652 119 HG22 THR 15 HG22 THR 15 -0.835 -5.976 7.786 120 HG23 THR 15 HG23 THR 15 0.025 -4.894 8.908 121 H PHE 16 H PHE 16 4.007 -5.140 6.139 122 HA PHE 16 HA PHE 16 3.802 -6.461 3.584 123 HB2 PHE 16 HB1 PHE 16 4.865 -4.270 3.997 124 HB3 PHE 16 HB2 PHE 16 6.118 -5.063 4.966 125 HD1 PHE 16 HD2 PHE 16 7.820 -6.543 3.837 126 HD2 PHE 16 HD1 PHE 16 5.000 -4.163 1.614 127 HE1 PHE 16 HE2 PHE 16 9.270 -6.692 1.824 128 HE2 PHE 16 HE1 PHE 16 6.503 -4.224 -0.362 129 HZ PHE 16 HZ PHE 16 8.633 -5.503 -0.261 130 H HIS 17 H HIS 17 5.957 -7.056 6.459 131 HA HIS 17 HA HIS 17 7.330 -9.206 5.170 132 HB2 HIS 17 HB1 HIS 17 8.056 -7.768 7.136 133 HB3 HIS 17 HB2 HIS 17 7.051 -8.825 8.146 134 HD1 HIS 17 HD1 HIS 17 9.478 -9.381 9.346 135 HD2 HIS 17 HD2 HIS 17 8.930 -10.710 5.407 136 HE1 HIS 17 HE1 HIS 17 11.355 -11.038 8.876 137 HE2 HIS 17 HE2 HIS 17 11.041 -11.882 6.474 138 H LYS 18 H LYS 18 4.201 -9.129 6.730 139 HA LYS 18 HA LYS 18 3.768 -11.880 7.142 140 HB2 LYS 18 HB1 LYS 18 2.366 -9.509 7.360 141 HB3 LYS 18 HB2 LYS 18 1.494 -10.356 6.060 142 HG2 LYS 18 HG1 LYS 18 2.052 -11.508 8.807 143 HG3 LYS 18 HG2 LYS 18 0.534 -10.715 8.323 144 HD2 LYS 18 HD1 LYS 18 0.322 -12.465 6.500 145 HD3 LYS 18 HD2 LYS 18 1.693 -13.310 7.258 146 HE2 LYS 18 HE1 LYS 18 0.450 -13.489 9.371 147 HE3 LYS 18 HE2 LYS 18 -0.902 -12.567 8.677 148 HZ1 LYS 18 HZ1 LYS 18 -1.308 -14.921 8.617 149 HZ2 LYS 18 HZ2 LYS 18 -1.200 -14.327 7.082 150 HZ3 LYS 18 HZ3 LYS 18 0.055 -15.182 7.724 151 H TYR 19 H TYR 19 4.267 -10.278 4.079 152 HA TYR 19 HA TYR 19 3.203 -12.655 2.642 153 HB2 TYR 19 HB1 TYR 19 3.086 -9.724 1.886 154 HB3 TYR 19 HB2 TYR 19 2.794 -11.030 0.724 155 HD1 TYR 19 HD1 TYR 19 1.555 -9.392 3.814 156 HD2 TYR 19 HD2 TYR 19 0.718 -12.249 0.699 157 HE1 TYR 19 HE1 TYR 19 -0.789 -9.569 4.615 158 HE2 TYR 19 HE2 TYR 19 -1.635 -12.427 1.490 159 HH TYR 19 HH TYR 19 -3.167 -11.761 3.041 160 H SER 20 H SER 20 5.839 -10.183 2.644 161 HA SER 20 HA SER 20 7.356 -11.583 0.597 162 HB2 SER 20 HB1 SER 20 9.143 -10.057 1.217 163 HB3 SER 20 HB2 SER 20 7.606 -9.161 1.155 164 HG SER 20 HG SER 20 8.852 -8.662 3.024 165 H GLY 21 H GLY 21 7.092 -11.860 4.126 166 HA2 GLY 21 HA2 GLY 21 8.929 -13.738 3.774 167 H ARG 22 H ARG 22 7.517 -14.482 2.400 168 HA ARG 22 HA ARG 22 6.645 -17.118 3.474 169 HB2 ARG 22 HB1 ARG 22 5.585 -15.540 1.103 170 HB3 ARG 22 HB2 ARG 22 5.000 -17.132 1.644 171 HG2 ARG 22 HG1 ARG 22 4.597 -15.933 3.928 172 HG3 ARG 22 HG2 ARG 22 4.693 -14.438 2.967 173 HD2 ARG 22 HD1 ARG 22 2.706 -16.697 2.778 174 HD3 ARG 22 HD2 ARG 22 2.405 -14.962 3.015 175 HE ARG 22 HE ARG 22 2.851 -14.586 0.693 176 HH11 ARG 22 HH12 ARG 22 3.030 -18.042 1.362 177 HH12 ARG 22 HH11 ARG 22 2.529 -18.483 -0.249 178 HH21 ARG 22 HH22 ARG 22 2.027 -15.225 -1.314 179 HH22 ARG 22 HH21 ARG 22 1.974 -16.920 -1.732 180 H GLU 23 H GLU 23 8.051 -15.418 0.763 181 HA GLU 23 HA GLU 23 10.015 -17.164 -0.087 182 HB2 GLU 23 HB1 GLU 23 7.392 -17.905 -1.175 183 HB3 GLU 23 HB2 GLU 23 8.588 -17.513 -2.434 184 HG2 GLU 23 HG1 GLU 23 9.052 -19.514 -0.196 185 HG3 GLU 23 HG2 GLU 23 8.473 -19.945 -1.820 186 H GLY 24 H GLY 24 10.864 -16.333 -2.316 187 HA2 GLY 24 HA2 GLY 24 11.843 -14.926 -2.878 188 H SER 25 H SER 25 11.526 -11.932 -1.247 189 HA SER 25 HA SER 25 13.052 -13.245 0.861 190 HB2 SER 25 HB1 SER 25 14.829 -12.680 -0.776 191 HB3 SER 25 HB2 SER 25 14.387 -10.963 -0.623 192 HG SER 25 HG SER 25 16.118 -11.566 0.782 193 H LYS 26 H LYS 26 13.716 -11.479 2.620 194 HA LYS 26 HA LYS 26 11.221 -10.719 3.651 195 HB2 LYS 26 HB1 LYS 26 13.988 -9.743 4.431 196 HB3 LYS 26 HB2 LYS 26 12.516 -9.564 5.416 197 HG2 LYS 26 HG1 LYS 26 13.268 -11.462 6.392 198 HG3 LYS 26 HG2 LYS 26 12.468 -12.237 5.004 199 HD2 LYS 26 HD1 LYS 26 14.558 -13.299 5.126 200 HD3 LYS 26 HD2 LYS 26 14.772 -12.086 3.841 201 HE2 LYS 26 HE1 LYS 26 15.758 -10.534 5.562 202 HE3 LYS 26 HE2 LYS 26 15.676 -11.861 6.741 203 HZ1 LYS 26 HZ1 LYS 26 17.835 -11.708 5.724 204 HZ2 LYS 26 HZ2 LYS 26 17.115 -13.134 5.312 205 HZ3 LYS 26 HZ3 LYS 26 17.191 -11.902 4.217 206 H LEU 27 H LEU 27 13.428 -8.856 1.661 207 HA LEU 27 HA LEU 27 12.173 -6.304 2.237 208 HB2 LEU 27 HB1 LEU 27 13.920 -5.348 0.901 209 HB3 LEU 27 HB2 LEU 27 14.604 -6.540 2.033 210 HG LEU 27 HG LEU 27 14.066 -7.304 -0.834 211 HD11 LEU 27 HD11 LEU 27 16.370 -6.560 -1.398 212 HD12 LEU 27 HD12 LEU 27 15.360 -5.185 -0.892 213 HD13 LEU 27 HD13 LEU 27 16.548 -5.879 0.238 214 HD21 LEU 27 HD21 LEU 27 15.999 -8.815 -0.460 215 HD22 LEU 27 HD22 LEU 27 16.192 -8.157 1.180 216 HD23 LEU 27 HD23 LEU 27 14.731 -9.084 0.757 217 H THR 28 H THR 28 11.498 -8.769 -0.107 218 HA THR 28 HA THR 28 9.943 -6.859 -1.696 219 HB THR 28 HB THR 28 10.890 -7.856 -3.830 220 HG1 THR 28 HG1 THR 28 13.048 -8.575 -3.664 221 HG21 THR 28 HG21 THR 28 12.782 -6.279 -3.989 222 HG22 THR 28 HG22 THR 28 11.372 -5.539 -3.207 223 HG23 THR 28 HG23 THR 28 12.754 -6.086 -2.226 224 H LEU 29 H LEU 29 8.310 -7.709 -2.963 225 HA LEU 29 HA LEU 29 8.023 -10.616 -3.227 226 HB2 LEU 29 HB1 LEU 29 5.910 -10.831 -2.236 227 HB3 LEU 29 HB2 LEU 29 6.927 -9.965 -1.060 228 HG LEU 29 HG LEU 29 4.799 -8.715 -2.831 229 HD11 LEU 29 HD11 LEU 29 3.554 -8.494 -0.689 230 HD12 LEU 29 HD12 LEU 29 3.919 -10.198 -1.042 231 HD13 LEU 29 HD13 LEU 29 4.882 -9.313 0.164 232 HD21 LEU 29 HD21 LEU 29 5.052 -6.698 -1.410 233 HD22 LEU 29 HD22 LEU 29 6.382 -7.487 -0.538 234 HD23 LEU 29 HD23 LEU 29 6.563 -7.078 -2.262 235 H SER 30 H SER 30 6.310 -11.250 -4.802 236 HA SER 30 HA SER 30 6.480 -9.503 -7.071 237 HB2 SER 30 HB1 SER 30 4.976 -11.209 -8.175 238 HB3 SER 30 HB2 SER 30 6.518 -11.822 -7.527 239 HG SER 30 HG SER 30 4.729 -13.155 -6.972 240 H ARG 31 H ARG 31 4.711 -8.497 -8.334 241 HA ARG 31 HA ARG 31 3.839 -6.572 -6.541 242 HB2 ARG 31 HB1 ARG 31 2.425 -6.880 -9.158 243 HB3 ARG 31 HB2 ARG 31 2.883 -5.401 -8.280 244 HG2 ARG 31 HG1 ARG 31 4.808 -7.195 -9.745 245 HG3 ARG 31 HG2 ARG 31 4.033 -5.748 -10.435 246 HD2 ARG 31 HD1 ARG 31 5.579 -5.393 -7.912 247 HD3 ARG 31 HD2 ARG 31 6.498 -5.734 -9.393 248 HE ARG 31 HE ARG 31 4.513 -3.663 -9.771 249 HH11 ARG 31 HH12 ARG 31 7.916 -4.139 -8.806 250 HH12 ARG 31 HH11 ARG 31 8.290 -2.451 -8.975 251 HH21 ARG 31 HH22 ARG 31 5.086 -1.493 -9.810 252 HH22 ARG 31 HH21 ARG 31 6.736 -1.002 -9.524 253 H LYS 32 H LYS 32 1.825 -9.198 -7.910 254 HA LYS 32 HA LYS 32 -0.679 -8.259 -6.975 255 HB2 LYS 32 HB1 LYS 32 -0.478 -9.851 -8.762 256 HB3 LYS 32 HB2 LYS 32 0.329 -11.026 -7.694 257 HG2 LYS 32 HG1 LYS 32 -2.407 -10.118 -6.907 258 HG3 LYS 32 HG2 LYS 32 -2.276 -11.183 -8.327 259 HD2 LYS 32 HD1 LYS 32 -1.449 -12.971 -7.079 260 HD3 LYS 32 HD2 LYS 32 -0.809 -11.917 -5.796 261 HE2 LYS 32 HE1 LYS 32 -3.173 -11.380 -5.136 262 HE3 LYS 32 HE2 LYS 32 -3.737 -12.565 -6.334 263 HZ1 LYS 32 HZ1 LYS 32 -3.614 -13.506 -4.145 264 HZ2 LYS 32 HZ2 LYS 32 -2.532 -14.249 -5.141 265 HZ3 LYS 32 HZ3 LYS 32 -2.009 -13.149 -4.029 266 H GLU 33 H GLU 33 1.845 -10.009 -5.123 267 HA GLU 33 HA GLU 33 -0.025 -10.857 -3.092 268 HB2 GLU 33 HB1 GLU 33 2.990 -10.654 -3.114 269 HB3 GLU 33 HB2 GLU 33 2.057 -11.256 -1.723 270 HG2 GLU 33 HG1 GLU 33 2.021 -12.447 -4.523 271 HG3 GLU 33 HG2 GLU 33 2.927 -13.094 -3.137 272 H LEU 34 H LEU 34 1.931 -7.864 -3.518 273 HA LEU 34 HA LEU 34 1.168 -6.746 -0.989 274 HB2 LEU 34 HB1 LEU 34 2.956 -5.915 -2.602 275 HB3 LEU 34 HB2 LEU 34 1.631 -5.215 -3.563 276 HG LEU 34 HG LEU 34 0.906 -4.074 -1.347 277 HD11 LEU 34 HD11 LEU 34 2.750 -3.684 0.262 278 HD12 LEU 34 HD12 LEU 34 2.365 -5.416 0.132 279 HD13 LEU 34 HD13 LEU 34 3.804 -4.761 -0.685 280 HD21 LEU 34 HD21 LEU 34 2.450 -2.176 -1.722 281 HD22 LEU 34 HD22 LEU 34 3.506 -3.229 -2.691 282 HD23 LEU 34 HD23 LEU 34 1.864 -2.846 -3.263 283 H LYS 35 H LYS 35 -0.466 -6.622 -4.257 284 HA LYS 35 HA LYS 35 -2.680 -5.079 -3.425 285 HB2 LYS 35 HB1 LYS 35 -2.102 -5.956 -5.782 286 HB3 LYS 35 HB2 LYS 35 -2.908 -7.466 -5.290 287 HG2 LYS 35 HG1 LYS 35 -4.859 -5.875 -4.549 288 HG3 LYS 35 HG2 LYS 35 -4.077 -4.697 -5.630 289 HD2 LYS 35 HD1 LYS 35 -4.836 -7.474 -6.557 290 HD3 LYS 35 HD2 LYS 35 -5.980 -6.111 -6.603 291 HE2 LYS 35 HE1 LYS 35 -4.217 -4.843 -7.936 292 HE3 LYS 35 HE2 LYS 35 -3.341 -6.382 -8.074 293 HZ1 LYS 35 HZ1 LYS 35 -4.765 -5.999 -9.948 294 HZ2 LYS 35 HZ2 LYS 35 -5.281 -7.320 -9.106 295 HZ3 LYS 35 HZ3 LYS 35 -6.094 -5.891 -8.977 296 H GLU 36 H GLU 36 -1.953 -8.510 -2.925 297 HA GLU 36 HA GLU 36 -4.545 -9.319 -2.037 298 HB2 GLU 36 HB1 GLU 36 -2.642 -10.733 -2.985 299 HB3 GLU 36 HB2 GLU 36 -1.887 -10.615 -1.378 300 HG2 GLU 36 HG1 GLU 36 -3.036 -12.677 -1.388 301 HG3 GLU 36 HG2 GLU 36 -4.055 -11.570 -0.443 302 H LEU 37 H LEU 37 -1.556 -8.307 -0.248 303 HA LEU 37 HA LEU 37 -2.532 -8.481 2.362 304 HB2 LEU 37 HB1 LEU 37 -0.283 -7.945 2.063 305 HB3 LEU 37 HB2 LEU 37 -0.644 -6.624 0.925 306 HG LEU 37 HG LEU 37 -1.499 -5.264 2.793 307 HD11 LEU 37 HD11 LEU 37 -1.086 -5.907 5.138 308 HD12 LEU 37 HD12 LEU 37 -2.218 -7.024 4.343 309 HD13 LEU 37 HD13 LEU 37 -0.521 -7.503 4.597 310 HD21 LEU 37 HD21 LEU 37 0.720 -4.789 3.767 311 HD22 LEU 37 HD22 LEU 37 1.313 -6.361 3.178 312 HD23 LEU 37 HD23 LEU 37 0.832 -5.101 2.018 313 H ILE 38 H ILE 38 -2.913 -5.745 0.095 314 HA ILE 38 HA ILE 38 -4.324 -4.029 1.890 315 HB ILE 38 HB ILE 38 -3.921 -4.041 -1.114 316 HG12 ILE 38 HG13 ILE 38 -2.664 -2.211 0.961 317 HG13 ILE 38 HG12 ILE 38 -1.953 -3.786 0.530 318 HG21 ILE 38 HG21 ILE 38 -4.599 -1.656 -1.152 319 HG22 ILE 38 HG22 ILE 38 -5.937 -2.705 -0.637 320 HG23 ILE 38 HG23 ILE 38 -5.031 -1.759 0.568 321 HD11 ILE 38 HD11 ILE 38 -0.877 -1.947 -0.737 322 HD12 ILE 38 HD12 ILE 38 -1.749 -3.053 -1.820 323 HD13 ILE 38 HD13 ILE 38 -2.461 -1.479 -1.390 324 H LYS 39 H LYS 39 -5.498 -6.650 -0.132 325 HA LYS 39 HA LYS 39 -8.295 -5.860 0.377 326 HB2 LYS 39 HB1 LYS 39 -6.840 -7.763 -1.428 327 HB3 LYS 39 HB2 LYS 39 -8.538 -8.104 -1.020 328 HG2 LYS 39 HG1 LYS 39 -7.427 -5.667 -2.427 329 HG3 LYS 39 HG2 LYS 39 -8.452 -6.949 -3.117 330 HD2 LYS 39 HD1 LYS 39 -9.235 -4.790 -1.154 331 HD3 LYS 39 HD2 LYS 39 -9.792 -5.004 -2.830 332 HE2 LYS 39 HE1 LYS 39 -10.974 -7.082 -2.138 333 HE3 LYS 39 HE2 LYS 39 -10.469 -6.786 -0.460 334 HZ1 LYS 39 HZ1 LYS 39 -12.676 -5.963 -0.882 335 HZ2 LYS 39 HZ2 LYS 39 -11.663 -4.708 -0.533 336 HZ3 LYS 39 HZ3 LYS 39 -12.132 -4.981 -2.092 337 H LYS 40 H LYS 40 -5.934 -7.793 1.979 338 HA LYS 40 HA LYS 40 -7.953 -9.661 3.057 339 HB2 LYS 40 HB1 LYS 40 -5.019 -9.617 2.706 340 HB3 LYS 40 HB2 LYS 40 -5.573 -10.331 4.239 341 HG2 LYS 40 HG1 LYS 40 -5.242 -11.949 2.368 342 HG3 LYS 40 HG2 LYS 40 -6.852 -11.974 3.124 343 HD2 LYS 40 HD1 LYS 40 -7.850 -10.907 1.212 344 HD3 LYS 40 HD2 LYS 40 -6.256 -10.578 0.493 345 HE2 LYS 40 HE1 LYS 40 -5.805 -13.018 0.395 346 HE3 LYS 40 HE2 LYS 40 -7.409 -13.338 1.092 347 HZ1 LYS 40 HZ1 LYS 40 -7.413 -13.561 -1.287 348 HZ2 LYS 40 HZ2 LYS 40 -8.380 -12.305 -0.835 349 HZ3 LYS 40 HZ3 LYS 40 -6.893 -12.008 -1.481 350 H GLU 41 H GLU 41 -5.838 -6.981 4.210 351 HA GLU 41 HA GLU 41 -7.208 -7.336 6.811 352 HB2 GLU 41 HB1 GLU 41 -5.420 -6.313 7.977 353 HB3 GLU 41 HB2 GLU 41 -4.813 -7.649 6.970 354 HG2 GLU 41 HG1 GLU 41 -3.182 -5.975 6.875 355 HG3 GLU 41 HG2 GLU 41 -4.044 -5.903 5.323 356 H LEU 42 H LEU 42 -7.216 -5.155 4.170 357 HA LEU 42 HA LEU 42 -8.236 -2.961 5.907 358 HB2 LEU 42 HB1 LEU 42 -6.184 -3.023 3.922 359 HB3 LEU 42 HB2 LEU 42 -7.547 -2.106 3.236 360 HG LEU 42 HG LEU 42 -6.167 -1.538 5.884 361 HD11 LEU 42 HD11 LEU 42 -5.286 0.464 4.720 362 HD12 LEU 42 HD12 LEU 42 -4.764 -1.034 3.913 363 HD13 LEU 42 HD13 LEU 42 -6.082 -0.060 3.217 364 HD21 LEU 42 HD21 LEU 42 -7.489 0.557 5.919 365 HD22 LEU 42 HD22 LEU 42 -8.325 0.050 4.434 366 HD23 LEU 42 HD23 LEU 42 -8.543 -0.874 5.939 367 H CYS 43 H CYS 43 -10.226 -2.202 5.557 368 HA CYS 43 HA CYS 43 -12.047 -3.339 3.624 369 HB2 CYS 43 HB1 CYS 43 -13.600 -1.626 4.670 370 HB3 CYS 43 HB2 CYS 43 -12.842 -2.769 5.806 371 HG CYS 43 HG CYS 43 -12.978 -0.389 6.896 372 H LEU 44 H LEU 44 -9.677 -1.822 2.476 373 HA LEU 44 HA LEU 44 -10.669 0.795 1.703 374 HB2 LEU 44 HB1 LEU 44 -8.244 -0.209 2.404 375 HB3 LEU 44 HB2 LEU 44 -8.112 -0.355 0.635 376 HG LEU 44 HG LEU 44 -9.072 2.097 0.690 377 HD11 LEU 44 HD11 LEU 44 -8.261 3.440 2.593 378 HD12 LEU 44 HD12 LEU 44 -9.444 2.215 3.105 379 HD13 LEU 44 HD13 LEU 44 -7.707 1.956 3.396 380 HD21 LEU 44 HD21 LEU 44 -6.773 2.983 0.604 381 HD22 LEU 44 HD22 LEU 44 -6.172 1.482 1.343 382 HD23 LEU 44 HD23 LEU 44 -6.917 1.444 -0.274 383 H GLY 45 H GLY 45 -10.498 -2.341 0.141 384 HA2 GLY 45 HA2 GLY 45 -10.875 -0.947 -2.076 385 H GLU 46 H GLU 46 -12.566 -0.487 -1.529 386 HA GLU 46 HA GLU 46 -14.473 -1.401 -3.465 387 HB2 GLU 46 HB1 GLU 46 -16.240 -1.837 -1.632 388 HB3 GLU 46 HB2 GLU 46 -15.107 -3.134 -2.084 389 HG2 GLU 46 HG1 GLU 46 -14.343 -1.422 0.237 390 HG3 GLU 46 HG2 GLU 46 -15.712 -2.530 0.465 391 H MET 47 H MET 47 -13.787 0.530 -0.503 392 HA MET 47 HA MET 47 -15.841 2.439 -0.760 393 HB2 MET 47 HB1 MET 47 -13.018 2.670 0.324 394 HB3 MET 47 HB2 MET 47 -14.270 3.919 0.531 395 HG2 MET 47 HG1 MET 47 -15.685 2.079 1.619 396 HG3 MET 47 HG2 MET 47 -14.194 1.123 1.675 397 HE1 MET 47 HE1 MET 47 -11.915 3.772 3.727 398 HE2 MET 47 HE2 MET 47 -11.863 2.310 2.714 399 HE3 MET 47 HE3 MET 47 -12.264 3.885 1.986 400 H LYS 48 H LYS 48 -12.835 2.235 -2.612 401 HA LYS 48 HA LYS 48 -13.499 4.777 -4.019 402 HB2 LYS 48 HB1 LYS 48 -10.765 3.510 -3.624 403 HB3 LYS 48 HB2 LYS 48 -11.123 5.097 -4.345 404 HG2 LYS 48 HG1 LYS 48 -10.622 5.896 -2.303 405 HG3 LYS 48 HG2 LYS 48 -12.265 5.360 -1.875 406 HD2 LYS 48 HD1 LYS 48 -10.718 4.556 -0.196 407 HD3 LYS 48 HD2 LYS 48 -11.303 3.169 -1.148 408 HE2 LYS 48 HE1 LYS 48 -8.848 4.457 -2.196 409 HE3 LYS 48 HE2 LYS 48 -8.663 3.695 -0.601 410 HZ1 LYS 48 HZ1 LYS 48 -8.149 2.180 -2.375 411 HZ2 LYS 48 HZ2 LYS 48 -9.477 1.660 -1.550 412 HZ3 LYS 48 HZ3 LYS 48 -9.649 2.367 -3.032 413 H GLU 49 H GLU 49 -13.113 4.776 -6.320 414 HA GLU 49 HA GLU 49 -12.387 2.222 -7.610 415 HB2 GLU 49 HB1 GLU 49 -14.295 2.366 -9.136 416 HB3 GLU 49 HB2 GLU 49 -14.784 2.157 -7.437 417 HG2 GLU 49 HG1 GLU 49 -16.098 3.960 -7.560 418 HG3 GLU 49 HG2 GLU 49 -14.720 4.970 -8.051 419 H SER 50 H SER 50 -13.155 3.385 -10.245 420 HA SER 50 HA SER 50 -11.815 3.956 -11.976 421 HB2 SER 50 HB1 SER 50 -12.617 6.474 -10.551 422 HB3 SER 50 HB2 SER 50 -11.765 6.530 -12.112 423 HG SER 50 HG SER 50 -14.049 6.524 -12.347 424 H SER 51 H SER 51 -10.294 6.714 -10.356 425 HA SER 51 HA SER 51 -7.796 5.895 -11.490 426 HB2 SER 51 HB1 SER 51 -8.419 8.145 -9.542 427 HB3 SER 51 HB2 SER 51 -6.922 7.970 -10.487 428 HG SER 51 HG SER 51 -8.443 9.381 -11.481 429 H ILE 52 H ILE 52 -9.113 4.802 -8.475 430 HA ILE 52 HA ILE 52 -6.408 4.227 -7.491 431 HB ILE 52 HB ILE 52 -7.413 2.940 -5.752 432 HG12 ILE 52 HG13 ILE 52 -10.163 3.210 -5.850 433 HG13 ILE 52 HG12 ILE 52 -9.730 2.730 -7.508 434 HG21 ILE 52 HG21 ILE 52 -8.757 4.684 -4.640 435 HG22 ILE 52 HG22 ILE 52 -7.355 5.371 -5.490 436 HG23 ILE 52 HG23 ILE 52 -8.982 5.499 -6.203 437 HD11 ILE 52 HD11 ILE 52 -10.202 0.743 -6.102 438 HD12 ILE 52 HD12 ILE 52 -8.504 0.774 -6.624 439 HD13 ILE 52 HD13 ILE 52 -8.935 1.254 -4.966 440 H ASP 53 H ASP 53 -8.618 2.752 -9.716 441 HA ASP 53 HA ASP 53 -7.845 0.014 -9.149 442 HB2 ASP 53 HB1 ASP 53 -10.137 0.596 -9.819 443 HB3 ASP 53 HB2 ASP 53 -9.537 1.205 -11.376 444 H ASP 54 H ASP 54 -7.041 2.444 -11.728 445 HA ASP 54 HA ASP 54 -5.388 0.548 -13.109 446 HB2 ASP 54 HB1 ASP 54 -6.278 2.758 -14.048 447 HB3 ASP 54 HB2 ASP 54 -4.886 3.511 -13.239 448 H LEU 55 H LEU 55 -4.830 2.437 -10.198 449 HA LEU 55 HA LEU 55 -1.991 1.982 -10.076 450 HB2 LEU 55 HB1 LEU 55 -3.756 2.036 -7.637 451 HB3 LEU 55 HB2 LEU 55 -2.070 2.574 -7.821 452 HG LEU 55 HG LEU 55 -4.553 3.950 -8.850 453 HD11 LEU 55 HD11 LEU 55 -3.943 5.692 -7.211 454 HD12 LEU 55 HD12 LEU 55 -4.201 4.116 -6.427 455 HD13 LEU 55 HD13 LEU 55 -2.548 4.717 -6.695 456 HD21 LEU 55 HD21 LEU 55 -3.100 5.782 -9.618 457 HD22 LEU 55 HD22 LEU 55 -1.669 4.829 -9.172 458 HD23 LEU 55 HD23 LEU 55 -2.749 4.263 -10.468 459 H MET 56 H MET 56 -4.839 0.165 -8.727 460 HA MET 56 HA MET 56 -3.343 -2.064 -7.826 461 HB2 MET 56 HB1 MET 56 -6.203 -2.083 -8.821 462 HB3 MET 56 HB2 MET 56 -5.436 -3.255 -7.723 463 HG2 MET 56 HG1 MET 56 -4.981 -0.919 -6.390 464 HG3 MET 56 HG2 MET 56 -6.519 -0.549 -7.186 465 HE1 MET 56 HE1 MET 56 -5.807 -3.003 -3.454 466 HE2 MET 56 HE2 MET 56 -4.619 -3.027 -4.778 467 HE3 MET 56 HE3 MET 56 -5.071 -1.484 -4.015 468 H LYS 57 H LYS 57 -4.591 -1.328 -11.106 469 HA LYS 57 HA LYS 57 -3.628 -3.793 -12.217 470 HB2 LYS 57 HB1 LYS 57 -4.615 -1.234 -13.378 471 HB3 LYS 57 HB2 LYS 57 -3.594 -2.276 -14.397 472 HG2 LYS 57 HG1 LYS 57 -5.834 -2.904 -14.858 473 HG3 LYS 57 HG2 LYS 57 -5.174 -4.182 -13.808 474 HD2 LYS 57 HD1 LYS 57 -6.261 -3.007 -11.849 475 HD3 LYS 57 HD2 LYS 57 -7.061 -1.932 -13.019 476 HE2 LYS 57 HE1 LYS 57 -7.874 -4.076 -14.191 477 HE3 LYS 57 HE2 LYS 57 -7.344 -4.946 -12.735 478 HZ1 LYS 57 HZ1 LYS 57 -9.656 -4.369 -12.632 479 HZ2 LYS 57 HZ2 LYS 57 -8.820 -3.573 -11.455 480 HZ3 LYS 57 HZ3 LYS 57 -9.313 -2.765 -12.805 481 H SER 58 H SER 58 -2.014 -0.575 -11.738 482 HA SER 58 HA SER 58 0.413 -1.341 -12.961 483 HB2 SER 58 HB1 SER 58 -0.111 0.578 -10.688 484 HB3 SER 58 HB2 SER 58 1.489 0.345 -11.432 485 HG SER 58 HG SER 58 0.283 2.038 -12.422 486 H LEU 59 H LEU 59 -0.968 -2.921 -10.275 487 HA LEU 59 HA LEU 59 1.653 -4.131 -9.627 488 HB2 LEU 59 HB1 LEU 59 -1.123 -4.752 -8.562 489 HB3 LEU 59 HB2 LEU 59 0.429 -5.351 -7.925 490 HG LEU 59 HG LEU 59 -0.490 -2.447 -7.938 491 HD11 LEU 59 HD11 LEU 59 -0.662 -2.711 -5.478 492 HD12 LEU 59 HD12 LEU 59 -1.741 -3.842 -6.325 493 HD13 LEU 59 HD13 LEU 59 -0.207 -4.424 -5.635 494 HD21 LEU 59 HD21 LEU 59 1.478 -2.008 -6.497 495 HD22 LEU 59 HD22 LEU 59 1.972 -3.708 -6.660 496 HD23 LEU 59 HD23 LEU 59 1.968 -2.638 -8.083 497 H ASP 60 H ASP 60 -1.559 -5.084 -10.940 498 HA ASP 60 HA ASP 60 -1.038 -7.632 -11.871 499 HB2 ASP 60 HB1 ASP 60 -2.708 -5.400 -13.075 500 HB3 ASP 60 HB2 ASP 60 -2.806 -7.100 -13.583 501 H LYS 61 H LYS 61 -0.508 -4.601 -13.785 502 HA LYS 61 HA LYS 61 -0.188 -5.919 -16.231 503 HB2 LYS 61 HB1 LYS 61 0.506 -3.840 -17.210 504 HB3 LYS 61 HB2 LYS 61 -0.996 -3.756 -16.257 505 HG2 LYS 61 HG1 LYS 61 0.932 -2.842 -14.492 506 HG3 LYS 61 HG2 LYS 61 1.443 -2.176 -16.062 507 HD2 LYS 61 HD1 LYS 61 -1.341 -1.984 -14.853 508 HD3 LYS 61 HD2 LYS 61 -0.132 -0.678 -14.890 509 HE2 LYS 61 HE1 LYS 61 -0.298 -0.692 -17.383 510 HE3 LYS 61 HE2 LYS 61 -1.631 -1.859 -17.237 511 HZ1 LYS 61 HZ1 LYS 61 -2.445 0.403 -17.401 512 HZ2 LYS 61 HZ2 LYS 61 -2.832 -0.227 -15.927 513 HZ3 LYS 61 HZ3 LYS 61 -1.596 0.856 -16.063 514 H ASN 62 H ASN 62 2.164 -5.479 -13.784 515 HA ASN 62 HA ASN 62 3.934 -7.275 -15.293 516 HB2 ASN 62 HB1 ASN 62 4.773 -4.652 -14.040 517 HB3 ASN 62 HB2 ASN 62 5.924 -5.983 -14.289 518 HD21 ASN 62 HD21 ASN 62 6.012 -6.888 -16.566 519 HD22 ASN 62 HD22 ASN 62 5.843 -5.756 -17.896 520 H SER 63 H SER 63 2.129 -8.216 -13.409 521 HA SER 63 HA SER 63 3.260 -8.390 -10.789 522 HB2 SER 63 HB1 SER 63 0.984 -9.716 -12.185 523 HB3 SER 63 HB2 SER 63 1.612 -10.472 -10.701 524 HG SER 63 HG SER 63 -0.010 -8.900 -10.281 525 H ASP 64 H ASP 64 4.748 -9.573 -13.372 526 HA ASP 64 HA ASP 64 5.830 -12.051 -12.258 527 HB2 ASP 64 HB1 ASP 64 7.293 -11.877 -14.242 528 HB3 ASP 64 HB2 ASP 64 5.595 -11.614 -14.697 529 H GLN 65 H GLN 65 6.284 -8.678 -11.914 530 HA GLN 65 HA GLN 65 9.123 -8.758 -11.181 531 HB2 GLN 65 HB1 GLN 65 7.039 -6.575 -11.552 532 HB3 GLN 65 HB2 GLN 65 8.719 -6.264 -11.051 533 HG2 GLN 65 HG1 GLN 65 7.833 -7.495 -13.684 534 HG3 GLN 65 HG2 GLN 65 8.405 -5.830 -13.444 535 HE21 GLN 65 HE12 GLN 65 9.461 -8.653 -14.740 536 HE22 GLN 65 HE22 GLN 65 11.156 -8.580 -14.314 537 H GLU 66 H GLU 66 9.876 -7.774 -9.254 538 HA GLU 66 HA GLU 66 8.132 -8.198 -6.924 539 HB2 GLU 66 HB1 GLU 66 11.102 -7.909 -7.362 540 HB3 GLU 66 HB2 GLU 66 10.397 -7.747 -5.736 541 HG2 GLU 66 HG1 GLU 66 9.420 -10.009 -5.937 542 HG3 GLU 66 HG2 GLU 66 10.126 -10.171 -7.560 543 H ILE 67 H ILE 67 7.817 -6.649 -5.286 544 HA ILE 67 HA ILE 67 8.661 -3.852 -5.822 545 HB ILE 67 HB ILE 67 6.661 -3.465 -4.064 546 HG12 ILE 67 HG13 ILE 67 5.788 -5.905 -5.592 547 HG13 ILE 67 HG12 ILE 67 5.678 -5.561 -3.849 548 HG21 ILE 67 HG21 ILE 67 5.331 -2.635 -5.950 549 HG22 ILE 67 HG22 ILE 67 7.056 -2.250 -6.134 550 HG23 ILE 67 HG23 ILE 67 6.338 -3.581 -7.070 551 HD11 ILE 67 HD11 ILE 67 3.457 -5.425 -4.927 552 HD12 ILE 67 HD12 ILE 67 3.968 -3.845 -4.295 553 HD13 ILE 67 HD13 ILE 67 4.078 -4.185 -6.038 554 H ASP 68 H ASP 68 9.441 -2.690 -4.154 555 HA ASP 68 HA ASP 68 10.119 -4.083 -1.639 556 HB2 ASP 68 HB1 ASP 68 11.980 -2.675 -1.525 557 HB3 ASP 68 HB2 ASP 68 11.803 -2.930 -3.274 558 H PHE 69 H PHE 69 10.493 -2.305 0.180 559 HA PHE 69 HA PHE 69 7.956 -1.458 1.096 560 HB2 PHE 69 HB1 PHE 69 10.217 -2.059 2.294 561 HB3 PHE 69 HB2 PHE 69 10.529 -0.321 2.153 562 HD1 PHE 69 HD2 PHE 69 7.797 -2.666 3.238 563 HD2 PHE 69 HD1 PHE 69 9.873 1.037 3.960 564 HE1 PHE 69 HE2 PHE 69 6.429 -2.296 5.276 565 HE2 PHE 69 HE1 PHE 69 8.495 1.414 5.992 566 HZ PHE 69 HZ PHE 69 6.775 -0.254 6.653 567 H LYS 70 H LYS 70 10.348 0.363 -0.825 568 HA LYS 70 HA LYS 70 9.190 2.973 -0.453 569 HB2 LYS 70 HB1 LYS 70 11.468 2.526 -1.292 570 HB3 LYS 70 HB2 LYS 70 10.777 1.763 -2.743 571 HG2 LYS 70 HG1 LYS 70 9.651 4.048 -3.174 572 HG3 LYS 70 HG2 LYS 70 10.805 4.685 -1.976 573 HD2 LYS 70 HD1 LYS 70 12.671 3.551 -3.253 574 HD3 LYS 70 HD2 LYS 70 11.484 3.084 -4.494 575 HE2 LYS 70 HE1 LYS 70 12.005 5.937 -3.613 576 HE3 LYS 70 HE2 LYS 70 12.762 5.175 -5.029 577 HZ1 LYS 70 HZ1 LYS 70 10.826 6.446 -5.632 578 HZ2 LYS 70 HZ2 LYS 70 10.574 4.847 -5.941 579 HZ3 LYS 70 HZ3 LYS 70 9.871 5.554 -4.628 580 H GLU 71 H GLU 71 8.930 0.575 -3.141 581 HA GLU 71 HA GLU 71 6.929 1.888 -4.624 582 HB2 GLU 71 HB1 GLU 71 7.493 -1.068 -4.274 583 HB3 GLU 71 HB2 GLU 71 6.437 -0.372 -5.526 584 HG2 GLU 71 HG1 GLU 71 9.165 0.756 -5.479 585 HG3 GLU 71 HG2 GLU 71 9.096 -0.983 -5.843 586 H TYR 72 H TYR 72 6.694 -0.166 -1.725 587 HA TYR 72 HA TYR 72 3.814 -0.379 -1.721 588 HB2 TYR 72 HB1 TYR 72 5.117 -2.018 -0.605 589 HB3 TYR 72 HB2 TYR 72 5.987 -0.792 0.332 590 HD1 TYR 72 HD2 TYR 72 2.237 -0.936 -0.014 591 HD2 TYR 72 HD1 TYR 72 5.673 -1.588 2.488 592 HE1 TYR 72 HE2 TYR 72 0.746 -1.633 1.846 593 HE2 TYR 72 HE1 TYR 72 4.189 -2.175 4.382 594 HH TYR 72 HH TYR 72 0.633 -2.344 4.044 595 H SER 73 H SER 73 6.081 1.721 0.161 596 HA SER 73 HA SER 73 4.020 3.157 1.504 597 HB2 SER 73 HB1 SER 73 5.885 4.818 1.961 598 HB3 SER 73 HB2 SER 73 6.168 3.142 2.491 599 HG SER 73 HG SER 73 7.965 4.041 1.382 600 H VAL 74 H VAL 74 5.718 3.909 -1.628 601 HA VAL 74 HA VAL 74 4.203 6.322 -1.966 602 HB VAL 74 HB VAL 74 4.786 6.378 -4.256 603 HG11 VAL 74 HG11 VAL 74 7.238 6.495 -4.087 604 HG12 VAL 74 HG12 VAL 74 6.436 7.146 -2.643 605 HG13 VAL 74 HG13 VAL 74 7.172 5.525 -2.601 606 HG21 VAL 74 HG21 VAL 74 6.140 4.711 -5.443 607 HG22 VAL 74 HG22 VAL 74 6.030 3.640 -4.034 608 HG23 VAL 74 HG23 VAL 74 4.563 4.069 -4.946 609 H PHE 75 H PHE 75 3.499 2.884 -2.890 610 HA PHE 75 HA PHE 75 1.168 3.515 -4.406 611 HB2 PHE 75 HB1 PHE 75 2.346 1.274 -4.257 612 HB3 PHE 75 HB2 PHE 75 1.567 1.054 -2.681 613 HD1 PHE 75 HD2 PHE 75 0.969 1.574 -6.289 614 HD2 PHE 75 HD1 PHE 75 -0.837 0.419 -2.552 615 HE1 PHE 75 HE2 PHE 75 -0.899 0.532 -7.513 616 HE2 PHE 75 HE1 PHE 75 -2.710 -0.656 -3.797 617 HZ PHE 75 HZ PHE 75 -2.742 -0.590 -6.292 618 H LEU 76 H LEU 76 1.522 2.681 -0.898 619 HA LEU 76 HA LEU 76 -1.147 3.104 -0.121 620 HB2 LEU 76 HB1 LEU 76 1.493 3.494 1.311 621 HB3 LEU 76 HB2 LEU 76 -0.078 3.712 2.117 622 HG LEU 76 HG LEU 76 0.883 1.128 0.844 623 HD11 LEU 76 HD11 LEU 76 1.240 0.405 3.189 624 HD12 LEU 76 HD12 LEU 76 2.245 1.821 2.793 625 HD13 LEU 76 HD13 LEU 76 0.765 2.025 3.762 626 HD21 LEU 76 HD21 LEU 76 -1.008 0.087 2.047 627 HD22 LEU 76 HD22 LEU 76 -1.521 1.689 2.623 628 HD23 LEU 76 HD23 LEU 76 -1.572 1.309 0.885 629 H THR 77 H THR 77 1.546 5.510 -0.413 630 HA THR 77 HA THR 77 -0.109 7.608 0.710 631 HB THR 77 HB THR 77 2.587 7.826 -0.653 632 HG1 THR 77 HG1 THR 77 3.277 7.739 1.542 633 HG21 THR 77 HG21 THR 77 2.735 9.896 0.711 634 HG22 THR 77 HG22 THR 77 1.353 9.970 -0.410 635 HG23 THR 77 HG23 THR 77 1.084 9.616 1.315 636 H MET 78 H MET 78 0.757 6.643 -2.581 637 HA MET 78 HA MET 78 -0.575 8.712 -4.034 638 HB2 MET 78 HB1 MET 78 1.040 7.161 -5.009 639 HB3 MET 78 HB2 MET 78 -0.002 5.776 -4.602 640 HG2 MET 78 HG1 MET 78 -1.735 6.771 -6.150 641 HG3 MET 78 HG2 MET 78 -0.499 7.928 -6.670 642 HE1 MET 78 HE1 MET 78 2.172 5.701 -8.428 643 HE2 MET 78 HE2 MET 78 1.590 7.353 -8.119 644 HE3 MET 78 HE3 MET 78 2.182 6.351 -6.772 645 H LEU 79 H LEU 79 -1.672 5.492 -2.886 646 HA LEU 79 HA LEU 79 -4.346 5.693 -3.867 647 HB2 LEU 79 HB1 LEU 79 -3.119 3.633 -3.438 648 HB3 LEU 79 HB2 LEU 79 -3.065 4.013 -1.699 649 HG LEU 79 HG LEU 79 -5.335 3.541 -1.406 650 HD11 LEU 79 HD11 LEU 79 -6.933 3.098 -3.247 651 HD12 LEU 79 HD12 LEU 79 -6.249 4.734 -3.363 652 HD13 LEU 79 HD13 LEU 79 -5.655 3.441 -4.432 653 HD21 LEU 79 HD21 LEU 79 -5.557 1.234 -2.291 654 HD22 LEU 79 HD22 LEU 79 -4.255 1.559 -3.458 655 HD23 LEU 79 HD23 LEU 79 -3.904 1.545 -1.713 656 H CYS 80 H CYS 80 -2.966 6.358 -0.616 657 HA CYS 80 HA CYS 80 -5.104 7.389 0.796 658 HB2 CYS 80 HB1 CYS 80 -2.989 7.116 1.800 659 HB3 CYS 80 HB2 CYS 80 -2.168 8.073 0.543 660 HG CYS 80 HG CYS 80 -2.024 9.313 2.842 661 H MET 81 H MET 81 -3.113 9.275 -1.599 662 HA MET 81 HA MET 81 -4.762 11.600 -1.186 663 HB2 MET 81 HB1 MET 81 -3.418 12.747 -2.710 664 HB3 MET 81 HB2 MET 81 -2.373 11.711 -1.709 665 HG2 MET 81 HG1 MET 81 -2.104 10.154 -3.535 666 HG3 MET 81 HG2 MET 81 -3.241 11.076 -4.533 667 HE1 MET 81 HE1 MET 81 -1.179 14.501 -4.777 668 HE2 MET 81 HE2 MET 81 -2.772 13.746 -5.025 669 HE3 MET 81 HE3 MET 81 -2.160 14.010 -3.375 670 H ALA 82 H ALA 82 -5.574 8.819 -2.812 671 HA ALA 82 HA ALA 82 -7.317 10.149 -4.721 672 HB1 ALA 82 HB1 ALA 82 -8.136 7.876 -5.192 673 HB2 ALA 82 HB2 ALA 82 -6.359 7.958 -5.227 674 HB3 ALA 82 HB3 ALA 82 -7.190 7.254 -3.820 675 H TYR 83 H TYR 83 -7.507 10.111 -1.402 676 HA TYR 83 HA TYR 83 -10.305 10.792 -1.469 677 HB2 TYR 83 HB1 TYR 83 -11.035 9.107 0.232 678 HB3 TYR 83 HB2 TYR 83 -10.686 8.453 -1.378 679 HD1 TYR 83 HD1 TYR 83 -8.799 6.989 -1.769 680 HD2 TYR 83 HD2 TYR 83 -9.639 8.507 2.171 681 HE1 TYR 83 HE1 TYR 83 -7.201 5.354 -0.805 682 HE2 TYR 83 HE2 TYR 83 -7.977 6.930 3.136 683 HH TYR 83 HH TYR 83 -6.342 5.398 2.696 684 H ASN 84 H ASN 84 -7.342 10.482 0.546 685 HA ASN 84 HA ASN 84 -8.473 11.520 2.930 686 HB2 ASN 84 HB1 ASN 84 -5.693 11.334 1.820 687 HB3 ASN 84 HB2 ASN 84 -5.976 12.392 3.219 688 HD21 ASN 84 HD21 ASN 84 -6.493 11.451 5.251 689 HD22 ASN 84 HD22 ASN 84 -6.358 9.725 5.539 690 H ASP 85 H ASP 85 -9.300 13.387 3.394 691 HA ASP 85 HA ASP 85 -9.144 15.801 1.899 692 HB2 ASP 85 HB1 ASP 85 -10.291 16.761 3.880 693 HB3 ASP 85 HB2 ASP 85 -11.040 15.253 3.313 694 H PHE 86 H PHE 86 -6.746 14.432 3.970 695 HA PHE 86 HA PHE 86 -5.445 16.842 4.775 696 HB2 PHE 86 HB1 PHE 86 -4.371 14.090 4.086 697 HB3 PHE 86 HB2 PHE 86 -3.406 15.383 4.820 698 HD1 PHE 86 HD2 PHE 86 -6.477 13.284 5.396 699 HD2 PHE 86 HD1 PHE 86 -3.342 15.648 7.163 700 HE1 PHE 86 HE2 PHE 86 -7.208 12.561 7.656 701 HE2 PHE 86 HE1 PHE 86 -4.061 14.906 9.422 702 HZ PHE 86 HZ PHE 86 -5.991 13.357 9.671 703 H PHE 87 H PHE 87 -5.788 15.353 1.624 704 HA PHE 87 HA PHE 87 -3.804 17.161 0.411 705 HB2 PHE 87 HB1 PHE 87 -5.332 14.743 -0.550 706 HB3 PHE 87 HB2 PHE 87 -4.486 15.814 -1.681 707 HD1 PHE 87 HD2 PHE 87 -2.004 16.151 -1.458 708 HD2 PHE 87 HD1 PHE 87 -4.114 13.183 0.840 709 HE1 PHE 87 HE2 PHE 87 0.135 14.952 -1.051 710 HE2 PHE 87 HE1 PHE 87 -1.968 12.005 1.281 711 HZ PHE 87 HZ PHE 87 0.145 12.855 0.281 712 H LEU 88 H LEU 88 -6.658 17.900 1.514 713 HA LEU 88 HA LEU 88 -8.061 19.063 -0.686 714 HB2 LEU 88 HB1 LEU 88 -9.395 20.078 0.942 715 HB3 LEU 88 HB2 LEU 88 -8.908 18.498 1.602 716 HG LEU 88 HG LEU 88 -8.693 19.654 3.467 717 HD11 LEU 88 HD11 LEU 88 -6.501 20.645 4.077 718 HD12 LEU 88 HD12 LEU 88 -6.319 19.142 3.161 719 HD13 LEU 88 HD13 LEU 88 -6.079 20.713 2.359 720 HD21 LEU 88 HD21 LEU 88 -8.378 22.098 3.699 721 HD22 LEU 88 HD22 LEU 88 -8.062 22.208 1.957 722 HD23 LEU 88 HD23 LEU 88 -9.666 21.705 2.544 723 H GLU 89 H GLU 89 -8.518 21.624 -0.556 724 HA GLU 89 HA GLU 89 -5.907 23.034 -0.356 725 HB2 GLU 89 HB1 GLU 89 -7.854 23.039 -2.676 726 HB3 GLU 89 HB2 GLU 89 -6.626 24.308 -2.454 727 HG2 GLU 89 HG1 GLU 89 -4.867 22.486 -2.464 728 HG3 GLU 89 HG2 GLU 89 -6.145 21.337 -2.913 729 H ASP 90 H ASP 90 -9.223 23.101 0.397 730 HA ASP 90 HA ASP 90 -10.522 24.388 1.645 731 HB2 ASP 90 HB1 ASP 90 -7.889 24.918 2.494 732 HB3 ASP 90 HB2 ASP 90 -8.731 26.483 2.478 733 H ASN 91 H ASN 91 -9.081 25.672 -1.063 734 HA ASN 91 HA ASN 91 -10.828 28.072 -1.208 735 HB2 ASN 91 HB1 ASN 91 -8.235 27.282 -2.598 736 HB3 ASN 91 HB2 ASN 91 -9.198 28.707 -3.047 737 HD21 ASN 91 HD21 ASN 91 -7.381 27.236 -0.311 738 HD22 ASN 91 HD22 ASN 91 -6.972 28.767 0.445 739 H LYS 92 H LYS 92 -10.958 24.945 -2.014 740 HA LYS 92 HA LYS 92 -12.589 25.230 -4.480 741 HB2 LYS 92 HB1 LYS 92 -10.314 23.294 -3.902 742 HB3 LYS 92 HB2 LYS 92 -11.564 22.968 -5.126 743 HG2 LYS 92 HG1 LYS 92 -10.666 24.436 -6.617 744 HG3 LYS 92 HG2 LYS 92 -10.233 25.613 -5.355 745 HD2 LYS 92 HD1 LYS 92 -8.280 24.325 -4.727 746 HD3 LYS 92 HD2 LYS 92 -8.769 22.979 -5.784 747 HE2 LYS 92 HE1 LYS 92 -8.537 24.463 -7.762 748 HE3 LYS 92 HE2 LYS 92 -8.019 25.789 -6.698 749 HZ1 LYS 92 HZ1 LYS 92 -6.158 24.645 -7.659 750 HZ2 LYS 92 HZ2 LYS 92 -6.163 24.439 -6.022 751 HZ3 LYS 92 HZ3 LYS 92 -6.642 23.207 -7.009 752 HA MET 1 HA MET 1 -12.919 3.117 9.182 753 HB2 MET 1 HB1 MET 1 -10.431 2.729 7.516 754 HB3 MET 1 HB2 MET 1 -11.879 1.694 7.549 755 HG2 MET 1 HG1 MET 1 -11.502 4.431 6.374 756 HG3 MET 1 HG2 MET 1 -12.174 2.970 5.632 757 HE1 MET 1 HE1 MET 1 -15.833 2.827 6.912 758 HE2 MET 1 HE2 MET 1 -14.650 2.218 5.735 759 HE3 MET 1 HE3 MET 1 -14.414 1.915 7.473 760 H GLU 2 H GLU 2 -11.428 0.619 9.173 761 HA GLU 2 HA GLU 2 -11.724 0.763 12.117 762 HB2 GLU 2 HB1 GLU 2 -12.142 -1.458 10.068 763 HB3 GLU 2 HB2 GLU 2 -12.378 -1.661 11.820 764 HG2 GLU 2 HG1 GLU 2 -14.504 -1.370 10.638 765 HG3 GLU 2 HG2 GLU 2 -14.202 -0.050 11.788 766 H THR 3 H THR 3 -9.496 -0.439 9.667 767 HA THR 3 HA THR 3 -8.667 -2.718 11.333 768 HB THR 3 HB THR 3 -8.122 -3.801 9.384 769 HG1 THR 3 HG1 THR 3 -7.632 -2.661 7.462 770 HG21 THR 3 HG21 THR 3 -9.853 -3.429 7.655 771 HG22 THR 3 HG22 THR 3 -10.540 -3.374 9.291 772 HG23 THR 3 HG23 THR 3 -10.241 -1.865 8.397 773 HA PRO 4 HA PRO 4 -4.814 -1.374 12.415 774 HB2 PRO 4 HB1 PRO 4 -2.823 -3.164 11.826 775 HB3 PRO 4 HB2 PRO 4 -4.164 -3.482 12.975 776 HG2 PRO 4 HG1 PRO 4 -3.934 -4.338 10.101 777 HG3 PRO 4 HG2 PRO 4 -4.481 -5.307 11.507 778 HD2 PRO 4 HD1 PRO 4 -6.209 -4.081 9.741 779 HD3 PRO 4 HD2 PRO 4 -6.598 -4.291 11.476 780 H LEU 5 H LEU 5 -4.181 -2.216 8.886 781 HA LEU 5 HA LEU 5 -1.874 -0.507 8.812 782 HB2 LEU 5 HB1 LEU 5 -2.349 -2.333 7.217 783 HB3 LEU 5 HB2 LEU 5 -3.672 -1.360 6.533 784 HG LEU 5 HG LEU 5 -2.080 0.312 5.753 785 HD11 LEU 5 HD11 LEU 5 0.369 -0.066 5.853 786 HD12 LEU 5 HD12 LEU 5 -0.326 0.096 7.480 787 HD13 LEU 5 HD13 LEU 5 0.099 -1.513 6.848 788 HD21 LEU 5 HD21 LEU 5 -0.961 -1.078 4.026 789 HD22 LEU 5 HD22 LEU 5 -1.260 -2.532 5.007 790 HD23 LEU 5 HD23 LEU 5 -2.627 -1.629 4.312 791 H GLU 6 H GLU 6 -5.328 0.130 8.175 792 HA GLU 6 HA GLU 6 -5.262 2.817 7.407 793 HB2 GLU 6 HB1 GLU 6 -7.330 1.664 7.555 794 HB3 GLU 6 HB2 GLU 6 -7.062 1.246 9.263 795 HG2 GLU 6 HG1 GLU 6 -8.700 2.870 9.367 796 HG3 GLU 6 HG2 GLU 6 -7.209 3.779 9.695 797 H LYS 7 H LYS 7 -4.956 1.484 10.811 798 HA LYS 7 HA LYS 7 -4.678 4.044 11.992 799 HB2 LYS 7 HB1 LYS 7 -3.277 1.601 13.060 800 HB3 LYS 7 HB2 LYS 7 -3.887 3.016 13.951 801 HG2 LYS 7 HG1 LYS 7 -5.424 0.718 12.776 802 HG3 LYS 7 HG2 LYS 7 -5.316 1.244 14.473 803 HD2 LYS 7 HD1 LYS 7 -6.654 3.258 13.939 804 HD3 LYS 7 HD2 LYS 7 -6.750 2.748 12.237 805 HE2 LYS 7 HE1 LYS 7 -7.630 0.522 13.033 806 HE3 LYS 7 HE2 LYS 7 -7.688 1.189 14.679 807 HZ1 LYS 7 HZ1 LYS 7 -9.813 1.291 13.604 808 HZ2 LYS 7 HZ2 LYS 7 -9.250 2.811 13.899 809 HZ3 LYS 7 HZ3 LYS 7 -9.197 2.193 12.371 810 H ALA 8 H ALA 8 -2.207 2.047 10.363 811 HA ALA 8 HA ALA 8 0.052 3.573 11.191 812 HB1 ALA 8 HB1 ALA 8 1.191 2.511 9.279 813 HB2 ALA 8 HB2 ALA 8 0.235 1.330 10.206 814 HB3 ALA 8 HB3 ALA 8 -0.380 1.952 8.656 815 H LEU 9 H LEU 9 -1.821 3.753 8.089 816 HA LEU 9 HA LEU 9 -0.680 6.113 7.086 817 HB2 LEU 9 HB1 LEU 9 -3.300 4.696 6.770 818 HB3 LEU 9 HB2 LEU 9 -3.151 6.350 6.128 819 HG LEU 9 HG LEU 9 -2.797 4.649 4.416 820 HD11 LEU 9 HD11 LEU 9 -0.690 5.527 3.467 821 HD12 LEU 9 HD12 LEU 9 -1.676 6.819 4.185 822 HD13 LEU 9 HD13 LEU 9 -0.258 6.191 5.058 823 HD21 LEU 9 HD21 LEU 9 -0.795 3.204 4.397 824 HD22 LEU 9 HD22 LEU 9 -0.361 3.795 6.015 825 HD23 LEU 9 HD23 LEU 9 -1.849 2.845 5.781 826 H THR 10 H THR 10 -3.593 5.762 9.152 827 HA THR 10 HA THR 10 -4.364 8.389 9.524 828 HB THR 10 HB THR 10 -4.302 6.213 11.646 829 HG1 THR 10 HG1 THR 10 -6.438 5.867 10.888 830 HG21 THR 10 HG21 THR 10 -6.248 7.412 12.618 831 HG22 THR 10 HG22 THR 10 -4.805 8.450 12.586 832 HG23 THR 10 HG23 THR 10 -6.088 8.668 11.371 833 H THR 11 H THR 11 -1.879 6.610 11.444 834 HA THR 11 HA THR 11 -1.306 8.738 13.251 835 HB THR 11 HB THR 11 0.412 6.406 12.345 836 HG1 THR 11 HG1 THR 11 -0.426 5.535 14.300 837 HG21 THR 11 HG21 THR 11 1.613 6.686 14.498 838 HG22 THR 11 HG22 THR 11 1.790 8.124 13.472 839 HG23 THR 11 HG23 THR 11 0.650 8.139 14.839 840 H MET 12 H MET 12 0.327 7.691 10.230 841 HA MET 12 HA MET 12 2.363 9.665 10.246 842 HB2 MET 12 HB1 MET 12 1.079 8.162 7.941 843 HB3 MET 12 HB2 MET 12 2.608 9.070 7.855 844 HG2 MET 12 HG1 MET 12 3.734 7.530 9.232 845 HG3 MET 12 HG2 MET 12 2.225 6.816 9.826 846 HE1 MET 12 HE1 MET 12 4.746 5.497 6.312 847 HE2 MET 12 HE2 MET 12 4.655 7.219 6.749 848 HE3 MET 12 HE3 MET 12 5.193 6.022 7.951 849 H VAL 13 H VAL 13 -0.890 9.722 8.587 850 HA VAL 13 HA VAL 13 -0.471 12.362 7.561 851 HB VAL 13 HB VAL 13 -2.838 12.537 7.132 852 HG11 VAL 13 HG11 VAL 13 -3.057 10.697 5.505 853 HG12 VAL 13 HG12 VAL 13 -1.418 11.380 5.518 854 HG13 VAL 13 HG13 VAL 13 -1.743 9.828 6.325 855 HG21 VAL 13 HG21 VAL 13 -4.458 10.735 7.549 856 HG22 VAL 13 HG22 VAL 13 -3.223 9.855 8.466 857 HG23 VAL 13 HG23 VAL 13 -3.821 11.425 9.055 858 H THR 14 H THR 14 -1.621 11.211 10.695 859 HA THR 14 HA THR 14 -2.766 13.691 11.586 860 HB THR 14 HB THR 14 -1.701 11.308 13.132 861 HG1 THR 14 HG1 THR 14 -3.980 10.981 13.299 862 HG21 THR 14 HG21 THR 14 -3.052 12.168 15.039 863 HG22 THR 14 HG22 THR 14 -1.765 13.312 14.605 864 HG23 THR 14 HG23 THR 14 -3.443 13.622 14.096 865 H THR 15 H THR 15 0.513 12.181 12.168 866 HA THR 15 HA THR 15 1.277 14.626 13.504 867 HB THR 15 HB THR 15 3.538 13.579 13.731 868 HG1 THR 15 HG1 THR 15 3.532 11.305 13.569 869 HG21 THR 15 HG21 THR 15 2.637 12.176 15.572 870 HG22 THR 15 HG22 THR 15 1.752 13.715 15.444 871 HG23 THR 15 HG23 THR 15 1.028 12.216 14.811 872 H PHE 16 H PHE 16 1.477 13.706 10.158 873 HA PHE 16 HA PHE 16 3.106 15.924 9.372 874 HB2 PHE 16 HB1 PHE 16 2.311 14.088 7.904 875 HB3 PHE 16 HB2 PHE 16 0.659 14.712 8.047 876 HD1 PHE 16 HD1 PHE 16 4.082 15.618 6.806 877 HD2 PHE 16 HD2 PHE 16 -0.165 16.263 6.482 878 HE1 PHE 16 HE1 PHE 16 4.439 16.955 4.740 879 HE2 PHE 16 HE2 PHE 16 0.199 17.629 4.439 880 HZ PHE 16 HZ PHE 16 2.505 18.009 3.587 881 H HIS 17 H HIS 17 -0.506 15.734 9.833 882 HA HIS 17 HA HIS 17 -0.879 18.552 9.512 883 HB2 HIS 17 HB1 HIS 17 -2.504 16.647 9.125 884 HB3 HIS 17 HB2 HIS 17 -2.729 16.594 10.883 885 HD1 HIS 17 HD1 HIS 17 -3.849 18.903 11.962 886 HD2 HIS 17 HD2 HIS 17 -3.910 18.444 7.789 887 HE1 HIS 17 HE1 HIS 17 -5.512 20.621 11.069 888 HE2 HIS 17 HE2 HIS 17 -5.587 20.349 8.517 889 H LYS 18 H LYS 18 0.303 16.823 12.323 890 HA LYS 18 HA LYS 18 -0.216 18.808 14.283 891 HB2 LYS 18 HB1 LYS 18 0.888 16.502 14.486 892 HB3 LYS 18 HB2 LYS 18 2.390 17.304 13.972 893 HG2 LYS 18 HG1 LYS 18 1.383 18.899 16.055 894 HG3 LYS 18 HG2 LYS 18 1.123 17.222 16.587 895 HD2 LYS 18 HD1 LYS 18 3.790 18.224 15.571 896 HD3 LYS 18 HD2 LYS 18 3.307 18.339 17.279 897 HE2 LYS 18 HE1 LYS 18 4.702 16.421 17.056 898 HE3 LYS 18 HE2 LYS 18 3.039 15.842 17.289 899 HZ1 LYS 18 HZ1 LYS 18 4.179 14.611 15.600 900 HZ2 LYS 18 HZ2 LYS 18 2.918 15.442 14.945 901 HZ3 LYS 18 HZ3 LYS 18 4.461 15.980 14.729 902 H TYR 19 H TYR 19 1.643 19.078 11.384 903 HA TYR 19 HA TYR 19 2.832 21.679 12.219 904 HB2 TYR 19 HB1 TYR 19 3.874 19.522 10.351 905 HB3 TYR 19 HB2 TYR 19 4.542 21.162 10.416 906 HD1 TYR 19 HD1 TYR 19 4.089 18.006 12.370 907 HD2 TYR 19 HD2 TYR 19 6.096 21.809 12.087 908 HE1 TYR 19 HE1 TYR 19 5.635 17.326 14.189 909 HE2 TYR 19 HE2 TYR 19 7.688 21.111 13.861 910 HH TYR 19 HH TYR 19 8.330 19.445 15.290 911 H SER 20 H SER 20 2.440 20.069 9.078 912 HA SER 20 HA SER 20 1.304 22.269 7.631 913 HB2 SER 20 HB1 SER 20 0.921 20.220 5.992 914 HB3 SER 20 HB2 SER 20 2.556 20.851 6.306 915 HG SER 20 HG SER 20 2.442 18.560 6.465 916 H GLY 21 H GLY 21 -0.452 22.743 9.116 917 HA2 GLY 21 HA2 GLY 21 -2.491 22.568 8.901 918 H ARG 22 H ARG 22 -0.603 23.240 10.838 919 HA ARG 22 HA ARG 22 -2.476 24.042 12.924 920 HB2 ARG 22 HB1 ARG 22 0.435 24.655 12.336 921 HB3 ARG 22 HB2 ARG 22 -0.452 25.420 13.677 922 HG2 ARG 22 HG1 ARG 22 -1.018 23.116 14.526 923 HG3 ARG 22 HG2 ARG 22 0.048 22.445 13.266 924 HD2 ARG 22 HD1 ARG 22 1.188 22.606 15.459 925 HD3 ARG 22 HD2 ARG 22 1.970 23.616 14.224 926 HE ARG 22 HE ARG 22 1.497 25.478 15.471 927 HH11 ARG 22 HH12 ARG 22 -0.535 22.891 16.755 928 HH12 ARG 22 HH11 ARG 22 -1.167 23.891 18.038 929 HH21 ARG 22 HH22 ARG 22 0.596 26.735 17.089 930 HH22 ARG 22 HH21 ARG 22 -0.535 26.036 18.224 931 H GLU 23 H GLU 23 -0.991 25.563 10.116 932 HA GLU 23 HA GLU 23 -2.786 27.557 9.552 933 HB2 GLU 23 HB1 GLU 23 -1.341 28.358 11.877 934 HB3 GLU 23 HB2 GLU 23 -0.724 29.319 10.512 935 HG2 GLU 23 HG1 GLU 23 -3.679 28.992 11.122 936 HG3 GLU 23 HG2 GLU 23 -2.691 30.323 11.762 937 H GLY 24 H GLY 24 -1.777 29.189 7.999 938 HA2 GLY 24 HA2 GLY 24 -1.078 29.312 6.329 939 H SER 25 H SER 25 -0.100 26.304 6.784 940 HA SER 25 HA SER 25 -1.586 25.831 4.332 941 HB2 SER 25 HB1 SER 25 0.653 26.003 3.385 942 HB3 SER 25 HB2 SER 25 1.279 24.844 4.581 943 HG SER 25 HG SER 25 0.754 23.853 2.571 944 H LYS 26 H LYS 26 -2.941 24.228 4.688 945 HA LYS 26 HA LYS 26 -2.495 22.306 6.884 946 HB2 LYS 26 HB1 LYS 26 -4.922 21.908 6.658 947 HB3 LYS 26 HB2 LYS 26 -4.523 23.619 6.939 948 HG2 LYS 26 HG1 LYS 26 -4.695 23.966 4.434 949 HG3 LYS 26 HG2 LYS 26 -5.338 22.310 4.320 950 HD2 LYS 26 HD1 LYS 26 -6.552 24.641 5.829 951 HD3 LYS 26 HD2 LYS 26 -7.162 23.901 4.329 952 HE2 LYS 26 HE1 LYS 26 -7.521 21.768 5.586 953 HE3 LYS 26 HE2 LYS 26 -7.030 22.603 7.076 954 HZ1 LYS 26 HZ1 LYS 26 -9.406 22.606 6.797 955 HZ2 LYS 26 HZ2 LYS 26 -8.829 24.151 6.726 956 HZ3 LYS 26 HZ3 LYS 26 -9.284 23.376 5.343 957 H LEU 27 H LEU 27 -0.861 21.845 4.622 958 HA LEU 27 HA LEU 27 -1.957 19.573 3.135 959 HB2 LEU 27 HB1 LEU 27 -3.205 21.455 2.225 960 HB3 LEU 27 HB2 LEU 27 -1.712 22.408 2.044 961 HG LEU 27 HG LEU 27 -0.924 20.788 0.349 962 HD11 LEU 27 HD11 LEU 27 -2.488 19.158 -0.621 963 HD12 LEU 27 HD12 LEU 27 -2.161 18.812 1.092 964 HD13 LEU 27 HD13 LEU 27 -3.695 19.579 0.617 965 HD21 LEU 27 HD21 LEU 27 -2.423 21.589 -1.433 966 HD22 LEU 27 HD22 LEU 27 -3.622 22.072 -0.209 967 HD23 LEU 27 HD23 LEU 27 -2.039 22.883 -0.272 968 H THR 28 H THR 28 0.516 22.081 3.544 969 HA THR 28 HA THR 28 2.704 20.290 2.747 970 HB THR 28 HB THR 28 3.721 22.182 1.411 971 HG1 THR 28 HG1 THR 28 2.230 23.704 0.578 972 HG21 THR 28 HG21 THR 28 2.517 21.723 -0.686 973 HG22 THR 28 HG22 THR 28 2.791 20.242 0.252 974 HG23 THR 28 HG23 THR 28 1.185 21.008 0.245 975 H LEU 29 H LEU 29 4.810 21.410 3.086 976 HA LEU 29 HA LEU 29 5.122 23.732 4.732 977 HB2 LEU 29 HB1 LEU 29 6.000 22.812 6.710 978 HB3 LEU 29 HB2 LEU 29 4.408 22.072 6.428 979 HG LEU 29 HG LEU 29 7.131 20.791 6.177 980 HD11 LEU 29 HD11 LEU 29 6.222 19.307 7.960 981 HD12 LEU 29 HD12 LEU 29 6.160 21.014 8.454 982 HD13 LEU 29 HD13 LEU 29 4.680 20.192 7.903 983 HD21 LEU 29 HD21 LEU 29 6.019 18.648 5.612 984 HD22 LEU 29 HD22 LEU 29 4.462 19.491 5.526 985 HD23 LEU 29 HD23 LEU 29 5.749 19.871 4.356 986 H SER 30 H SER 30 7.712 23.949 5.258 987 HA SER 30 HA SER 30 8.930 23.064 2.722 988 HB2 SER 30 HB1 SER 30 10.362 24.804 2.712 989 HB3 SER 30 HB2 SER 30 9.060 25.511 3.699 990 HG SER 30 HG SER 30 11.146 25.846 4.604 991 H ARG 31 H ARG 31 11.441 22.580 2.785 992 HA ARG 31 HA ARG 31 11.520 20.020 3.954 993 HB2 ARG 31 HB1 ARG 31 14.052 21.366 3.075 994 HB3 ARG 31 HB2 ARG 31 13.606 19.643 3.024 995 HG2 ARG 31 HG1 ARG 31 11.765 20.548 1.329 996 HG3 ARG 31 HG2 ARG 31 12.959 21.854 1.123 997 HD2 ARG 31 HD1 ARG 31 13.334 20.146 -0.569 998 HD3 ARG 31 HD2 ARG 31 14.689 20.139 0.579 999 HE ARG 31 HE ARG 31 13.615 18.172 1.653 1000 HH11 ARG 31 HH12 ARG 31 12.989 18.675 -1.805 1001 HH12 ARG 31 HH11 ARG 31 12.413 17.049 -2.024 1002 HH21 ARG 31 HH22 ARG 31 12.715 16.153 1.285 1003 HH22 ARG 31 HH21 ARG 31 12.263 15.670 -0.330 1004 H LYS 32 H LYS 32 12.522 23.020 5.525 1005 HA LYS 32 HA LYS 32 14.153 21.803 7.515 1006 HB2 LYS 32 HB1 LYS 32 13.813 24.291 7.223 1007 HB3 LYS 32 HB2 LYS 32 12.244 24.103 8.039 1008 HG2 LYS 32 HG1 LYS 32 13.537 22.820 9.877 1009 HG3 LYS 32 HG2 LYS 32 15.019 23.454 9.122 1010 HD2 LYS 32 HD1 LYS 32 14.545 25.656 9.744 1011 HD3 LYS 32 HD2 LYS 32 12.810 25.328 9.959 1012 HE2 LYS 32 HE1 LYS 32 14.918 23.988 11.690 1013 HE3 LYS 32 HE2 LYS 32 14.258 25.585 12.100 1014 HZ1 LYS 32 HZ1 LYS 32 13.078 23.826 13.209 1015 HZ2 LYS 32 HZ2 LYS 32 12.077 24.600 12.154 1016 HZ3 LYS 32 HZ3 LYS 32 12.689 23.116 11.774 1017 H GLU 33 H GLU 33 10.525 21.982 7.303 1018 HA GLU 33 HA GLU 33 10.447 21.090 10.062 1019 HB2 GLU 33 HB1 GLU 33 8.197 21.714 8.173 1020 HB3 GLU 33 HB2 GLU 33 7.992 21.215 9.870 1021 HG2 GLU 33 HG1 GLU 33 9.134 23.779 8.758 1022 HG3 GLU 33 HG2 GLU 33 7.838 23.551 9.952 1023 H LEU 34 H LEU 34 10.426 19.354 7.016 1024 HA LEU 34 HA LEU 34 9.558 16.853 8.145 1025 HB2 LEU 34 HB1 LEU 34 9.685 17.251 5.777 1026 HB3 LEU 34 HB2 LEU 34 11.429 17.590 5.884 1027 HG LEU 34 HG LEU 34 11.877 15.251 6.417 1028 HD11 LEU 34 HD11 LEU 34 10.089 13.544 6.277 1029 HD12 LEU 34 HD12 LEU 34 9.779 14.696 7.595 1030 HD13 LEU 34 HD13 LEU 34 8.883 14.831 6.063 1031 HD21 LEU 34 HD21 LEU 34 11.239 14.279 4.218 1032 HD22 LEU 34 HD22 LEU 34 10.046 15.578 3.993 1033 HD23 LEU 34 HD23 LEU 34 11.782 15.963 4.038 1034 H LYS 35 H LYS 35 12.866 18.312 7.883 1035 HA LYS 35 HA LYS 35 14.229 16.387 9.440 1036 HB2 LYS 35 HB1 LYS 35 15.501 17.896 8.195 1037 HB3 LYS 35 HB2 LYS 35 14.612 19.309 8.810 1038 HG2 LYS 35 HG1 LYS 35 15.703 19.101 10.974 1039 HG3 LYS 35 HG2 LYS 35 16.526 17.612 10.447 1040 HD2 LYS 35 HD1 LYS 35 16.924 20.320 9.115 1041 HD3 LYS 35 HD2 LYS 35 17.959 19.700 10.426 1042 HE2 LYS 35 HE1 LYS 35 18.423 17.679 8.973 1043 HE3 LYS 35 HE2 LYS 35 17.571 18.512 7.655 1044 HZ1 LYS 35 HZ1 LYS 35 19.944 18.818 7.512 1045 HZ2 LYS 35 HZ2 LYS 35 19.201 20.263 7.792 1046 HZ3 LYS 35 HZ3 LYS 35 19.993 19.489 9.016 1047 H GLU 36 H GLU 36 12.387 19.265 10.543 1048 HA GLU 36 HA GLU 36 12.943 19.040 13.329 1049 HB2 GLU 36 HB1 GLU 36 11.974 20.986 11.959 1050 HB3 GLU 36 HB2 GLU 36 10.419 20.123 12.027 1051 HG2 GLU 36 HG1 GLU 36 10.230 21.621 13.775 1052 HG3 GLU 36 HG2 GLU 36 10.788 20.146 14.595 1053 H LEU 37 H LEU 37 10.286 17.773 11.292 1054 HA LEU 37 HA LEU 37 8.664 16.718 13.369 1055 HB2 LEU 37 HB1 LEU 37 7.748 17.250 11.241 1056 HB3 LEU 37 HB2 LEU 37 8.915 16.201 10.398 1057 HG LEU 37 HG LEU 37 7.783 14.220 11.290 1058 HD11 LEU 37 HD11 LEU 37 5.558 14.378 12.358 1059 HD12 LEU 37 HD12 LEU 37 6.816 15.125 13.364 1060 HD13 LEU 37 HD13 LEU 37 5.717 16.147 12.407 1061 HD21 LEU 37 HD21 LEU 37 5.739 14.439 9.893 1062 HD22 LEU 37 HD22 LEU 37 5.922 16.208 9.908 1063 HD23 LEU 37 HD23 LEU 37 7.141 15.195 9.101 1064 H ILE 38 H ILE 38 11.047 15.064 11.199 1065 HA ILE 38 HA ILE 38 10.513 12.498 12.346 1066 HB ILE 38 HB ILE 38 12.717 13.527 10.548 1067 HG12 ILE 38 HG13 ILE 38 10.250 11.777 10.172 1068 HG13 ILE 38 HG12 ILE 38 10.417 13.480 9.679 1069 HG21 ILE 38 HG21 ILE 38 13.354 11.168 10.147 1070 HG22 ILE 38 HG22 ILE 38 13.639 11.634 11.841 1071 HG23 ILE 38 HG23 ILE 38 12.221 10.646 11.415 1072 HD11 ILE 38 HD11 ILE 38 10.637 11.966 7.738 1073 HD12 ILE 38 HD12 ILE 38 12.148 12.843 8.053 1074 HD13 ILE 38 HD13 ILE 38 11.985 11.139 8.545 1075 H LYS 39 H LYS 39 13.107 14.907 13.098 1076 HA LYS 39 HA LYS 39 14.335 13.086 14.972 1077 HB2 LYS 39 HB1 LYS 39 14.921 15.677 13.821 1078 HB3 LYS 39 HB2 LYS 39 15.211 15.696 15.578 1079 HG2 LYS 39 HG1 LYS 39 16.241 13.489 13.760 1080 HG3 LYS 39 HG2 LYS 39 17.181 14.957 14.122 1081 HD2 LYS 39 HD1 LYS 39 17.347 14.409 16.436 1082 HD3 LYS 39 HD2 LYS 39 16.055 13.191 16.324 1083 HE2 LYS 39 HE1 LYS 39 17.468 11.770 14.922 1084 HE3 LYS 39 HE2 LYS 39 18.741 13.010 14.903 1085 HZ1 LYS 39 HZ1 LYS 39 19.194 11.293 16.501 1086 HZ2 LYS 39 HZ2 LYS 39 18.957 12.732 17.268 1087 HZ3 LYS 39 HZ3 LYS 39 17.775 11.583 17.286 1088 H LYS 40 H LYS 40 11.553 15.093 15.322 1089 HA LYS 40 HA LYS 40 11.730 15.021 18.266 1090 HB2 LYS 40 HB1 LYS 40 9.819 16.257 16.278 1091 HB3 LYS 40 HB2 LYS 40 9.453 16.179 18.019 1092 HG2 LYS 40 HG1 LYS 40 11.615 17.330 18.514 1093 HG3 LYS 40 HG2 LYS 40 11.957 17.427 16.772 1094 HD2 LYS 40 HD1 LYS 40 9.778 18.629 16.472 1095 HD3 LYS 40 HD2 LYS 40 9.586 18.637 18.241 1096 HE2 LYS 40 HE1 LYS 40 11.623 19.951 18.494 1097 HE3 LYS 40 HE2 LYS 40 11.931 19.864 16.746 1098 HZ1 LYS 40 HZ1 LYS 40 10.931 21.942 17.371 1099 HZ2 LYS 40 HZ2 LYS 40 9.910 21.094 16.396 1100 HZ3 LYS 40 HZ3 LYS 40 9.624 21.172 18.017 1101 H GLU 41 H GLU 41 9.666 13.665 15.646 1102 HA GLU 41 HA GLU 41 8.093 11.975 17.326 1103 HB2 GLU 41 HB1 GLU 41 8.901 11.651 14.414 1104 HB3 GLU 41 HB2 GLU 41 7.624 10.725 15.240 1105 HG2 GLU 41 HG1 GLU 41 7.506 13.728 15.066 1106 HG3 GLU 41 HG2 GLU 41 6.975 12.707 13.711 1107 H LEU 42 H LEU 42 11.222 11.449 15.628 1108 HA LEU 42 HA LEU 42 11.631 9.015 17.269 1109 HB2 LEU 42 HB1 LEU 42 12.015 9.455 14.352 1110 HB3 LEU 42 HB2 LEU 42 13.249 8.489 15.193 1111 HG LEU 42 HG LEU 42 10.294 7.952 15.585 1112 HD11 LEU 42 HD11 LEU 42 10.415 6.237 13.800 1113 HD12 LEU 42 HD12 LEU 42 10.716 7.865 13.151 1114 HD13 LEU 42 HD13 LEU 42 12.076 6.750 13.422 1115 HD21 LEU 42 HD21 LEU 42 11.083 5.668 16.142 1116 HD22 LEU 42 HD22 LEU 42 12.755 6.165 15.800 1117 HD23 LEU 42 HD23 LEU 42 11.871 6.890 17.164 1118 H CYS 43 H CYS 43 12.857 9.378 18.761 1119 HA CYS 43 HA CYS 43 14.603 11.526 19.193 1120 HB2 CYS 43 HB1 CYS 43 15.159 10.131 21.227 1121 HB3 CYS 43 HB2 CYS 43 13.418 10.365 20.936 1122 HG CYS 43 HG CYS 43 13.851 7.938 21.839 1123 H LEU 44 H LEU 44 15.403 8.355 17.779 1124 HA LEU 44 HA LEU 44 17.623 7.684 19.104 1125 HB2 LEU 44 HB1 LEU 44 18.382 6.420 17.108 1126 HB3 LEU 44 HB2 LEU 44 16.679 6.183 17.567 1127 HG LEU 44 HG LEU 44 16.942 8.290 15.605 1128 HD11 LEU 44 HD11 LEU 44 17.614 6.963 13.641 1129 HD12 LEU 44 HD12 LEU 44 18.932 7.109 14.822 1130 HD13 LEU 44 HD13 LEU 44 18.004 5.596 14.706 1131 HD21 LEU 44 HD21 LEU 44 15.223 6.966 14.441 1132 HD22 LEU 44 HD22 LEU 44 15.529 5.605 15.545 1133 HD23 LEU 44 HD23 LEU 44 14.865 7.133 16.174 1134 H GLY 45 H GLY 45 19.064 9.095 19.811 1135 HA2 GLY 45 HA2 GLY 45 20.828 9.431 17.892 1136 H GLU 46 H GLU 46 20.642 7.930 20.339 1137 HA GLU 46 HA GLU 46 23.413 7.242 20.749 1138 HB2 GLU 46 HB1 GLU 46 22.482 5.628 22.278 1139 HB3 GLU 46 HB2 GLU 46 21.608 7.168 22.461 1140 HG2 GLU 46 HG1 GLU 46 20.634 4.622 21.135 1141 HG3 GLU 46 HG2 GLU 46 20.019 5.388 22.616 1142 H MET 47 H MET 47 20.892 6.087 18.567 1143 HA MET 47 HA MET 47 22.239 3.516 18.096 1144 HB2 MET 47 HB1 MET 47 19.792 3.713 18.494 1145 HB3 MET 47 HB2 MET 47 19.656 4.628 16.975 1146 HG2 MET 47 HG1 MET 47 20.987 2.393 16.138 1147 HG3 MET 47 HG2 MET 47 19.987 1.727 17.439 1148 HE1 MET 47 HE1 MET 47 16.467 3.401 15.963 1149 HE2 MET 47 HE2 MET 47 17.225 2.861 17.478 1150 HE3 MET 47 HE3 MET 47 17.747 4.379 16.711 1151 H LYS 48 H LYS 48 20.599 4.861 15.335 1152 HA LYS 48 HA LYS 48 23.158 4.970 13.908 1153 HB2 LYS 48 HB1 LYS 48 20.298 4.730 13.021 1154 HB3 LYS 48 HB2 LYS 48 21.624 5.070 11.882 1155 HG2 LYS 48 HG1 LYS 48 21.171 2.584 13.537 1156 HG3 LYS 48 HG2 LYS 48 21.162 2.747 11.764 1157 HD2 LYS 48 HD1 LYS 48 23.261 1.822 12.064 1158 HD3 LYS 48 HD2 LYS 48 23.683 3.545 12.193 1159 HE2 LYS 48 HE1 LYS 48 22.893 2.986 14.761 1160 HE3 LYS 48 HE2 LYS 48 23.610 1.433 14.277 1161 HZ1 LYS 48 HZ1 LYS 48 25.218 2.872 15.307 1162 HZ2 LYS 48 HZ2 LYS 48 25.620 2.603 13.732 1163 HZ3 LYS 48 HZ3 LYS 48 24.955 4.044 14.179 1164 H GLU 49 H GLU 49 24.150 6.633 13.903 1165 HA GLU 49 HA GLU 49 23.230 9.357 13.667 1166 HB2 GLU 49 HB1 GLU 49 25.908 9.423 13.177 1167 HB3 GLU 49 HB2 GLU 49 25.153 9.501 14.785 1168 HG2 GLU 49 HG1 GLU 49 27.170 8.018 14.591 1169 HG3 GLU 49 HG2 GLU 49 25.718 7.257 15.275 1170 H SER 50 H SER 50 25.478 7.478 11.530 1171 HA SER 50 HA SER 50 25.470 9.426 9.506 1172 HB2 SER 50 HB1 SER 50 26.389 7.397 8.122 1173 HB3 SER 50 HB2 SER 50 27.316 8.043 9.498 1174 HG SER 50 HG SER 50 27.182 5.743 9.517 1175 H SER 51 H SER 51 23.414 6.478 9.721 1176 HA SER 51 HA SER 51 22.244 6.736 7.153 1177 HB2 SER 51 HB1 SER 51 21.053 5.569 9.701 1178 HB3 SER 51 HB2 SER 51 20.445 5.295 8.052 1179 HG SER 51 HG SER 51 21.768 3.576 8.809 1180 H ILE 52 H ILE 52 21.657 8.903 9.889 1181 HA ILE 52 HA ILE 52 19.189 9.739 8.513 1182 HB ILE 52 HB ILE 52 18.886 11.444 10.236 1183 HG12 ILE 52 HG13 ILE 52 20.872 10.165 12.066 1184 HG13 ILE 52 HG12 ILE 52 21.406 11.445 10.951 1185 HG21 ILE 52 HG21 ILE 52 18.128 9.889 11.994 1186 HG22 ILE 52 HG22 ILE 52 17.780 9.271 10.366 1187 HG23 ILE 52 HG23 ILE 52 19.149 8.614 11.294 1188 HD11 ILE 52 HD11 ILE 52 20.775 12.391 13.154 1189 HD12 ILE 52 HD12 ILE 52 19.689 12.967 11.870 1190 HD13 ILE 52 HD13 ILE 52 19.152 11.687 12.986 1191 H ASP 53 H ASP 53 22.571 10.953 8.849 1192 HA ASP 53 HA ASP 53 21.564 13.581 8.075 1193 HB2 ASP 53 HB1 ASP 53 23.317 13.190 9.912 1194 HB3 ASP 53 HB2 ASP 53 24.477 13.119 8.569 1195 H ASP 54 H ASP 54 23.158 10.941 6.366 1196 HA ASP 54 HA ASP 54 23.702 12.245 3.921 1197 HB2 ASP 54 HB1 ASP 54 23.924 9.773 4.451 1198 HB3 ASP 54 HB2 ASP 54 22.159 9.637 4.307 1199 H LEU 55 H LEU 55 20.626 11.082 5.254 1200 HA LEU 55 HA LEU 55 18.998 11.787 2.993 1201 HB2 LEU 55 HB1 LEU 55 18.047 11.197 5.798 1202 HB3 LEU 55 HB2 LEU 55 17.227 10.876 4.252 1203 HG LEU 55 HG LEU 55 19.561 9.371 5.461 1204 HD11 LEU 55 HD11 LEU 55 17.938 7.498 5.447 1205 HD12 LEU 55 HD12 LEU 55 17.315 8.885 6.373 1206 HD13 LEU 55 HD13 LEU 55 16.712 8.569 4.729 1207 HD21 LEU 55 HD21 LEU 55 19.486 7.857 3.514 1208 HD22 LEU 55 HD22 LEU 55 18.279 8.913 2.747 1209 HD23 LEU 55 HD23 LEU 55 19.930 9.510 3.037 1210 H MET 56 H MET 56 19.429 13.172 6.304 1211 HA MET 56 HA MET 56 17.883 15.494 5.993 1212 HB2 MET 56 HB1 MET 56 20.478 15.059 7.491 1213 HB3 MET 56 HB2 MET 56 19.517 16.554 7.589 1214 HG2 MET 56 HG1 MET 56 18.658 13.794 8.454 1215 HG3 MET 56 HG2 MET 56 19.137 15.135 9.508 1216 HE1 MET 56 HE1 MET 56 15.189 14.004 9.288 1217 HE2 MET 56 HE2 MET 56 16.484 13.106 8.449 1218 HE3 MET 56 HE3 MET 56 16.709 13.615 10.140 1219 H LYS 57 H LYS 57 21.378 14.976 5.011 1220 HA LYS 57 HA LYS 57 21.478 17.665 3.990 1221 HB2 LYS 57 HB1 LYS 57 23.443 16.418 4.886 1222 HB3 LYS 57 HB2 LYS 57 23.463 15.494 3.365 1223 HG2 LYS 57 HG1 LYS 57 25.050 17.521 3.559 1224 HG3 LYS 57 HG2 LYS 57 24.063 17.387 2.084 1225 HD2 LYS 57 HD1 LYS 57 22.536 19.054 2.843 1226 HD3 LYS 57 HD2 LYS 57 23.224 19.034 4.483 1227 HE2 LYS 57 HE1 LYS 57 25.254 20.113 3.679 1228 HE3 LYS 57 HE2 LYS 57 24.653 20.057 2.008 1229 HZ1 LYS 57 HZ1 LYS 57 24.267 22.196 3.017 1230 HZ2 LYS 57 HZ2 LYS 57 22.827 21.464 2.685 1231 HZ3 LYS 57 HZ3 LYS 57 23.385 21.517 4.235 1232 H SER 58 H SER 58 20.177 14.802 2.658 1233 HA SER 58 HA SER 58 19.971 15.910 0.004 1234 HB2 SER 58 HB1 SER 58 19.764 13.430 0.709 1235 HB3 SER 58 HB2 SER 58 18.070 13.844 1.066 1236 HG SER 58 HG SER 58 18.379 13.160 -1.116 1237 H LEU 59 H LEU 59 17.996 16.285 2.961 1238 HA LEU 59 HA LEU 59 15.935 17.848 1.639 1239 HB2 LEU 59 HB1 LEU 59 16.773 17.864 4.563 1240 HB3 LEU 59 HB2 LEU 59 15.238 18.462 3.885 1241 HG LEU 59 HG LEU 59 16.141 15.574 4.052 1242 HD11 LEU 59 HD11 LEU 59 14.269 15.367 5.661 1243 HD12 LEU 59 HD12 LEU 59 15.467 16.561 6.213 1244 HD13 LEU 59 HD13 LEU 59 13.934 17.106 5.492 1245 HD21 LEU 59 HD21 LEU 59 13.888 15.019 3.203 1246 HD22 LEU 59 HD22 LEU 59 13.541 16.751 3.000 1247 HD23 LEU 59 HD23 LEU 59 14.808 15.976 2.020 1248 H ASP 60 H ASP 60 18.708 18.563 3.658 1249 HA ASP 60 HA ASP 60 18.720 21.434 3.605 1250 HB2 ASP 60 HB1 ASP 60 19.486 19.531 5.251 1251 HB3 ASP 60 HB2 ASP 60 20.979 19.556 4.288 1252 H LYS 61 H LYS 61 19.786 19.138 1.239 1253 HA LYS 61 HA LYS 61 21.241 20.585 -0.594 1254 HB2 LYS 61 HB1 LYS 61 19.956 18.413 -0.710 1255 HB3 LYS 61 HB2 LYS 61 18.452 19.359 -0.816 1256 HG2 LYS 61 HG1 LYS 61 18.618 19.200 -3.019 1257 HG3 LYS 61 HG2 LYS 61 20.022 20.291 -2.928 1258 HD2 LYS 61 HD1 LYS 61 20.476 18.233 -4.211 1259 HD3 LYS 61 HD2 LYS 61 21.536 18.427 -2.796 1260 HE2 LYS 61 HE1 LYS 61 20.641 16.085 -3.341 1261 HE3 LYS 61 HE2 LYS 61 20.566 16.650 -1.657 1262 HZ1 LYS 61 HZ1 LYS 61 18.551 15.537 -2.312 1263 HZ2 LYS 61 HZ2 LYS 61 18.247 17.122 -1.986 1264 HZ3 LYS 61 HZ3 LYS 61 18.318 16.597 -3.550 1265 H ASN 62 H ASN 62 18.060 21.279 0.644 1266 HA ASN 62 HA ASN 62 17.812 23.961 -0.593 1267 HB2 ASN 62 HB1 ASN 62 15.948 21.552 -0.716 1268 HB3 ASN 62 HB2 ASN 62 15.337 23.211 -0.904 1269 HD21 ASN 62 HD21 ASN 62 15.954 24.443 -2.728 1270 HD22 ASN 62 HD22 ASN 62 16.608 23.680 -4.163 1271 H SER 63 H SER 63 15.329 24.426 0.515 1272 HA SER 63 HA SER 63 14.178 23.351 2.595 1273 HB2 SER 63 HB1 SER 63 16.355 25.009 3.821 1274 HB3 SER 63 HB2 SER 63 14.798 24.754 4.646 1275 HG SER 63 HG SER 63 16.356 23.153 5.174 1276 H ASP 64 H ASP 64 14.902 26.206 0.888 1277 HA ASP 64 HA ASP 64 12.566 27.686 1.058 1278 HB2 ASP 64 HB1 ASP 64 13.007 27.893 -1.436 1279 HB3 ASP 64 HB2 ASP 64 14.435 28.174 -0.417 1280 H GLN 65 H GLN 65 13.026 24.650 -0.842 1281 HA GLN 65 HA GLN 65 10.655 24.510 -2.213 1282 HB2 GLN 65 HB1 GLN 65 12.795 22.979 -2.100 1283 HB3 GLN 65 HB2 GLN 65 11.855 22.064 -0.898 1284 HG2 GLN 65 HG1 GLN 65 10.020 22.062 -2.805 1285 HG3 GLN 65 HG2 GLN 65 11.423 22.347 -3.858 1286 HE21 GLN 65 HE12 GLN 65 9.530 19.924 -2.497 1287 HE22 GLN 65 HE22 GLN 65 10.682 18.609 -2.528 1288 H GLU 66 H GLU 66 8.525 23.986 -1.801 1289 HA GLU 66 HA GLU 66 7.781 22.987 0.824 1290 HB2 GLU 66 HB1 GLU 66 6.156 23.218 -1.724 1291 HB3 GLU 66 HB2 GLU 66 5.516 22.736 -0.134 1292 HG2 GLU 66 HG1 GLU 66 6.152 24.970 0.763 1293 HG3 GLU 66 HG2 GLU 66 6.698 25.444 -0.860 1294 H ILE 67 H ILE 67 6.789 21.045 1.265 1295 HA ILE 67 HA ILE 67 7.109 18.781 -0.599 1296 HB ILE 67 HB ILE 67 7.770 17.460 1.573 1297 HG12 ILE 67 HG13 ILE 67 9.018 20.130 2.258 1298 HG13 ILE 67 HG12 ILE 67 7.573 19.471 3.062 1299 HG21 ILE 67 HG21 ILE 67 10.146 17.683 0.968 1300 HG22 ILE 67 HG22 ILE 67 9.107 17.601 -0.472 1301 HG23 ILE 67 HG23 ILE 67 9.772 19.164 0.058 1302 HD11 ILE 67 HD11 ILE 67 9.612 19.016 4.379 1303 HD12 ILE 67 HD12 ILE 67 8.871 17.511 3.789 1304 HD13 ILE 67 HD13 ILE 67 10.317 18.169 2.984 1305 H ASP 68 H ASP 68 5.707 17.124 -0.301 1306 HA ASP 68 HA ASP 68 3.361 17.619 1.421 1307 HB2 ASP 68 HB1 ASP 68 2.100 16.383 -0.111 1308 HB3 ASP 68 HB2 ASP 68 3.237 17.286 -1.134 1309 H PHE 69 H PHE 69 2.221 15.496 1.973 1310 HA PHE 69 HA PHE 69 3.521 14.000 3.928 1311 HB2 PHE 69 HB1 PHE 69 1.134 14.352 3.748 1312 HB3 PHE 69 HB2 PHE 69 1.076 13.511 2.190 1313 HD1 PHE 69 HD2 PHE 69 2.178 12.877 5.716 1314 HD2 PHE 69 HD1 PHE 69 0.148 11.358 2.249 1315 HE1 PHE 69 HE2 PHE 69 2.009 10.656 6.790 1316 HE2 PHE 69 HE1 PHE 69 -0.124 9.154 3.369 1317 HZ PHE 69 HZ PHE 69 0.888 8.773 5.617 1318 H LYS 70 H LYS 70 4.031 13.595 0.534 1319 HA LYS 70 HA LYS 70 4.495 10.685 0.670 1320 HB2 LYS 70 HB1 LYS 70 3.152 11.990 -1.072 1321 HB3 LYS 70 HB2 LYS 70 4.727 12.553 -1.684 1322 HG2 LYS 70 HG1 LYS 70 5.364 10.240 -2.190 1323 HG3 LYS 70 HG2 LYS 70 3.802 9.665 -1.559 1324 HD2 LYS 70 HD1 LYS 70 4.150 11.630 -3.859 1325 HD3 LYS 70 HD2 LYS 70 3.833 9.888 -4.046 1326 HE2 LYS 70 HE1 LYS 70 1.705 10.715 -4.312 1327 HE3 LYS 70 HE2 LYS 70 1.713 10.444 -2.557 1328 HZ1 LYS 70 HZ1 LYS 70 0.796 12.580 -3.124 1329 HZ2 LYS 70 HZ2 LYS 70 2.189 12.770 -2.264 1330 HZ3 LYS 70 HZ3 LYS 70 2.183 13.021 -3.895 1331 H GLU 71 H GLU 71 6.369 13.640 -0.397 1332 HA GLU 71 HA GLU 71 8.929 12.502 -0.393 1333 HB2 GLU 71 HB1 GLU 71 7.922 15.206 0.511 1334 HB3 GLU 71 HB2 GLU 71 9.649 14.779 0.584 1335 HG2 GLU 71 HG1 GLU 71 8.648 14.114 -2.033 1336 HG3 GLU 71 HG2 GLU 71 8.152 15.776 -1.642 1337 H TYR 72 H TYR 72 6.900 13.494 2.392 1338 HA TYR 72 HA TYR 72 8.725 12.722 4.452 1339 HB2 TYR 72 HB1 TYR 72 7.013 14.248 4.917 1340 HB3 TYR 72 HB2 TYR 72 5.760 13.179 4.266 1341 HD1 TYR 72 HD1 TYR 72 8.354 12.271 6.884 1342 HD2 TYR 72 HD2 TYR 72 4.244 13.138 5.975 1343 HE1 TYR 72 HE1 TYR 72 7.716 11.688 9.212 1344 HE2 TYR 72 HE2 TYR 72 3.578 12.410 8.244 1345 HH TYR 72 HH TYR 72 4.277 11.726 10.308 1346 H SER 73 H SER 73 5.937 10.847 3.095 1347 HA SER 73 HA SER 73 6.294 8.470 4.556 1348 HB2 SER 73 HB1 SER 73 4.332 9.152 3.167 1349 HB3 SER 73 HB2 SER 73 5.284 8.782 1.708 1350 HG SER 73 HG SER 73 3.939 7.045 2.357 1351 H VAL 74 H VAL 74 7.828 9.336 1.376 1352 HA VAL 74 HA VAL 74 9.261 6.842 1.313 1353 HB VAL 74 HB VAL 74 10.571 7.660 -0.487 1354 HG11 VAL 74 HG11 VAL 74 8.785 8.057 -2.139 1355 HG12 VAL 74 HG12 VAL 74 8.329 6.814 -0.957 1356 HG13 VAL 74 HG13 VAL 74 7.666 8.460 -0.819 1357 HG21 VAL 74 HG21 VAL 74 10.360 9.883 -1.517 1358 HG22 VAL 74 HG22 VAL 74 9.306 10.385 -0.183 1359 HG23 VAL 74 HG23 VAL 74 11.007 9.966 0.132 1360 H PHE 75 H PHE 75 9.970 9.976 2.850 1361 HA PHE 75 HA PHE 75 12.773 9.437 3.209 1362 HB2 PHE 75 HB1 PHE 75 11.555 11.680 3.407 1363 HB3 PHE 75 HB2 PHE 75 11.046 11.141 5.015 1364 HD1 PHE 75 HD2 PHE 75 12.976 10.440 6.695 1365 HD2 PHE 75 HD1 PHE 75 13.649 12.619 3.042 1366 HE1 PHE 75 HE2 PHE 75 15.070 11.386 7.643 1367 HE2 PHE 75 HE1 PHE 75 15.788 13.477 3.955 1368 HZ PHE 75 HZ PHE 75 16.440 12.966 6.295 1369 H LEU 76 H LEU 76 9.880 8.907 5.330 1370 HA LEU 76 HA LEU 76 11.245 7.691 7.495 1371 HB2 LEU 76 HB1 LEU 76 8.470 7.221 6.347 1372 HB3 LEU 76 HB2 LEU 76 9.042 6.522 7.883 1373 HG LEU 76 HG LEU 76 8.843 9.500 7.305 1374 HD11 LEU 76 HD11 LEU 76 6.825 9.404 8.744 1375 HD12 LEU 76 HD12 LEU 76 6.632 8.384 7.297 1376 HD13 LEU 76 HD13 LEU 76 6.999 7.636 8.871 1377 HD21 LEU 76 HD21 LEU 76 9.118 9.745 9.753 1378 HD22 LEU 76 HD22 LEU 76 9.308 7.983 9.907 1379 HD23 LEU 76 HD23 LEU 76 10.525 8.936 9.024 1380 H THR 77 H THR 77 9.914 6.296 4.488 1381 HA THR 77 HA THR 77 10.582 3.579 4.959 1382 HB THR 77 HB THR 77 10.039 5.263 2.507 1383 HG1 THR 77 HG1 THR 77 8.101 4.070 2.718 1384 HG21 THR 77 HG21 THR 77 9.785 3.165 1.233 1385 HG22 THR 77 HG22 THR 77 11.461 3.388 1.787 1386 HG23 THR 77 HG23 THR 77 10.388 2.245 2.631 1387 H MET 78 H MET 78 12.360 6.109 3.148 1388 HA MET 78 HA MET 78 14.640 4.624 2.402 1389 HB2 MET 78 HB1 MET 78 13.969 6.786 1.494 1390 HB3 MET 78 HB2 MET 78 14.222 7.554 3.079 1391 HG2 MET 78 HG1 MET 78 16.633 7.109 2.905 1392 HG3 MET 78 HG2 MET 78 16.379 6.353 1.322 1393 HE1 MET 78 HE1 MET 78 15.436 9.284 -1.029 1394 HE2 MET 78 HE2 MET 78 16.038 7.615 -0.902 1395 HE3 MET 78 HE3 MET 78 14.411 8.024 -0.304 1396 H LEU 79 H LEU 79 14.079 6.625 5.332 1397 HA LEU 79 HA LEU 79 16.533 6.017 6.629 1398 HB2 LEU 79 HB1 LEU 79 15.159 7.953 7.118 1399 HB3 LEU 79 HB2 LEU 79 13.829 6.905 7.673 1400 HG LEU 79 HG LEU 79 15.065 6.229 9.606 1401 HD11 LEU 79 HD11 LEU 79 17.327 7.068 10.159 1402 HD12 LEU 79 HD12 LEU 79 17.339 6.101 8.670 1403 HD13 LEU 79 HD13 LEU 79 17.407 7.877 8.580 1404 HD21 LEU 79 HD21 LEU 79 15.305 8.415 10.753 1405 HD22 LEU 79 HD22 LEU 79 15.337 9.236 9.175 1406 HD23 LEU 79 HD23 LEU 79 13.866 8.389 9.708 1407 H CYS 80 H CYS 80 13.340 4.297 6.799 1408 HA CYS 80 HA CYS 80 14.202 2.382 8.746 1409 HB2 CYS 80 HB1 CYS 80 11.850 2.906 8.140 1410 HB3 CYS 80 HB2 CYS 80 12.108 2.148 6.549 1411 HG CYS 80 HG CYS 80 10.715 0.547 8.082 1412 H MET 81 H MET 81 14.218 2.255 5.149 1413 HA MET 81 HA MET 81 15.549 -0.234 4.845 1414 HB2 MET 81 HB1 MET 81 14.256 0.916 3.127 1415 HB3 MET 81 HB2 MET 81 15.433 2.249 3.105 1416 HG2 MET 81 HG1 MET 81 16.954 -0.043 2.597 1417 HG3 MET 81 HG2 MET 81 15.456 -0.292 1.684 1418 HE1 MET 81 HE1 MET 81 18.360 3.267 1.220 1419 HE2 MET 81 HE2 MET 81 17.346 3.011 2.662 1420 HE3 MET 81 HE3 MET 81 18.628 1.845 2.259 1421 H ALA 82 H ALA 82 16.810 2.917 5.782 1422 HA ALA 82 HA ALA 82 19.534 2.286 5.120 1423 HB1 ALA 82 HB1 ALA 82 20.062 4.408 6.241 1424 HB2 ALA 82 HB2 ALA 82 18.703 4.576 5.105 1425 HB3 ALA 82 HB3 ALA 82 18.396 4.493 6.856 1426 H TYR 83 H TYR 83 17.722 0.872 7.581 1427 HA TYR 83 HA TYR 83 20.089 -0.327 8.598 1428 HB2 TYR 83 HB1 TYR 83 20.034 0.329 10.929 1429 HB3 TYR 83 HB2 TYR 83 20.299 1.719 9.863 1430 HD1 TYR 83 HD2 TYR 83 17.995 0.124 12.264 1431 HD2 TYR 83 HD1 TYR 83 18.640 3.501 9.671 1432 HE1 TYR 83 HE2 TYR 83 16.257 1.399 13.503 1433 HE2 TYR 83 HE1 TYR 83 16.909 4.787 10.909 1434 HH TYR 83 HH TYR 83 15.180 3.413 13.737 1435 H ASN 84 H ASN 84 16.784 -0.741 8.111 1436 HA ASN 84 HA ASN 84 16.297 -2.458 10.424 1437 HB2 ASN 84 HB1 ASN 84 14.506 -1.061 9.633 1438 HB3 ASN 84 HB2 ASN 84 14.631 -1.736 7.994 1439 HD21 ASN 84 HD21 ASN 84 14.049 -2.790 11.400 1440 HD22 ASN 84 HD22 ASN 84 12.940 -4.083 10.975 1441 H ASP 85 H ASP 85 15.603 -4.656 10.348 1442 HA ASP 85 HA ASP 85 17.376 -6.327 8.792 1443 HB2 ASP 85 HB1 ASP 85 16.702 -8.063 10.316 1444 HB3 ASP 85 HB2 ASP 85 16.928 -6.566 11.247 1445 H PHE 86 H PHE 86 13.904 -5.590 8.566 1446 HA PHE 86 HA PHE 86 13.328 -7.886 6.881 1447 HB2 PHE 86 HB1 PHE 86 11.813 -5.285 7.222 1448 HB3 PHE 86 HB2 PHE 86 11.224 -6.725 6.371 1449 HD1 PHE 86 HD1 PHE 86 12.776 -8.073 9.223 1450 HD2 PHE 86 HD2 PHE 86 9.341 -5.779 8.026 1451 HE1 PHE 86 HE1 PHE 86 11.613 -8.716 11.317 1452 HE2 PHE 86 HE2 PHE 86 8.149 -6.479 10.086 1453 HZ PHE 86 HZ PHE 86 9.300 -7.921 11.759 1454 H PHE 87 H PHE 87 14.662 -4.688 6.415 1455 HA PHE 87 HA PHE 87 14.483 -4.921 3.456 1456 HB2 PHE 87 HB1 PHE 87 14.811 -2.371 5.060 1457 HB3 PHE 87 HB2 PHE 87 14.432 -2.533 3.337 1458 HD1 PHE 87 HD1 PHE 87 12.241 -4.201 2.959 1459 HD2 PHE 87 HD2 PHE 87 13.017 -1.700 6.373 1460 HE1 PHE 87 HE1 PHE 87 9.919 -4.575 3.757 1461 HE2 PHE 87 HE2 PHE 87 10.689 -2.048 7.156 1462 HZ PHE 87 HZ PHE 87 9.156 -3.535 5.886 1463 H LEU 88 H LEU 88 16.442 -6.160 5.202 1464 HA LEU 88 HA LEU 88 18.921 -4.789 5.225 1465 HB2 LEU 88 HB1 LEU 88 19.791 -6.846 6.034 1466 HB3 LEU 88 HB2 LEU 88 18.187 -6.564 6.755 1467 HG LEU 88 HG LEU 88 18.008 -8.737 6.440 1468 HD11 LEU 88 HD11 LEU 88 16.843 -9.528 4.422 1469 HD12 LEU 88 HD12 LEU 88 16.229 -7.966 4.988 1470 HD13 LEU 88 HD13 LEU 88 17.320 -8.042 3.584 1471 HD21 LEU 88 HD21 LEU 88 19.227 -10.141 4.833 1472 HD22 LEU 88 HD22 LEU 88 19.847 -8.678 4.040 1473 HD23 LEU 88 HD23 LEU 88 20.306 -9.047 5.721 1474 H GLU 89 H GLU 89 20.929 -5.582 4.221 1475 HA GLU 89 HA GLU 89 20.660 -5.837 1.322 1476 HB2 GLU 89 HB1 GLU 89 22.936 -5.482 3.247 1477 HB3 GLU 89 HB2 GLU 89 23.230 -5.918 1.546 1478 HG2 GLU 89 HG1 GLU 89 21.473 -3.558 2.202 1479 HG3 GLU 89 HG2 GLU 89 23.240 -3.393 2.277 1480 H ASP 90 H ASP 90 19.553 -7.741 1.573 1481 HA ASP 90 HA ASP 90 20.650 -10.326 2.176 1482 HB2 ASP 90 HB1 ASP 90 18.221 -9.364 2.159 1483 HB3 ASP 90 HB2 ASP 90 18.267 -9.743 0.423 1484 H ASN 91 H ASN 91 22.653 -9.361 0.562 1485 HA ASN 91 HA ASN 91 22.224 -10.105 -2.209 1486 HB2 ASN 91 HB1 ASN 91 20.674 -8.125 -1.702 1487 HB3 ASN 91 HB2 ASN 91 22.145 -7.141 -1.546 1488 HD21 ASN 91 HD21 ASN 91 20.749 -9.535 -3.854 1489 HD22 ASN 91 HD22 ASN 91 21.135 -8.607 -5.293 1490 H LYS 92 H LYS 92 24.299 -9.397 0.290 1491 HA LYS 92 HA LYS 92 26.638 -9.323 -1.512 1492 HB2 LYS 92 HB1 LYS 92 26.141 -7.413 0.794 1493 HB3 LYS 92 HB2 LYS 92 27.764 -7.739 0.139 1494 HG2 LYS 92 HG1 LYS 92 27.276 -5.930 -1.142 1495 HG3 LYS 92 HG2 LYS 92 26.494 -7.164 -2.158 1496 HD2 LYS 92 HD1 LYS 92 24.377 -6.572 -0.656 1497 HD3 LYS 92 HD2 LYS 92 25.255 -5.041 -0.432 1498 HE2 LYS 92 HE1 LYS 92 25.492 -4.874 -2.929 1499 HE3 LYS 92 HE2 LYS 92 24.482 -6.328 -3.085 1500 HZ1 LYS 92 HZ1 LYS 92 23.207 -4.327 -3.339 1501 HZ2 LYS 92 HZ2 LYS 92 22.720 -5.141 -1.992 1502 HZ3 LYS 92 HZ3 LYS 92 23.657 -3.793 -1.845 Start of MODEL 17 1 HA MET 1 HA MET 1 12.788 3.964 21.147 2 HB2 MET 1 HB1 MET 1 11.916 4.392 18.788 3 HB3 MET 1 HB2 MET 1 13.456 3.531 19.031 4 HG2 MET 1 HG1 MET 1 10.819 2.180 18.440 5 HG3 MET 1 HG2 MET 1 12.002 2.642 17.205 6 HE1 MET 1 HE1 MET 1 11.676 -1.377 18.096 7 HE2 MET 1 HE2 MET 1 10.517 -0.166 18.705 8 HE3 MET 1 HE3 MET 1 11.032 -0.127 17.000 9 H GLU 2 H GLU 2 9.595 2.471 20.102 10 HA GLU 2 HA GLU 2 7.560 2.835 20.945 11 HB2 GLU 2 HB1 GLU 2 9.144 3.251 23.473 12 HB3 GLU 2 HB2 GLU 2 7.368 3.129 23.430 13 HG2 GLU 2 HG1 GLU 2 8.196 0.910 23.858 14 HG3 GLU 2 HG2 GLU 2 7.662 0.934 22.162 15 H THR 3 H THR 3 7.995 4.697 19.438 16 HA THR 3 HA THR 3 7.075 7.258 20.632 17 HB THR 3 HB THR 3 8.498 7.927 18.321 18 HG1 THR 3 HG1 THR 3 10.578 7.054 18.808 19 HG21 THR 3 HG21 THR 3 10.044 8.973 19.968 20 HG22 THR 3 HG22 THR 3 8.350 9.171 20.471 21 HG23 THR 3 HG23 THR 3 9.370 7.939 21.249 22 HA PRO 4 HA PRO 4 3.752 7.049 18.151 23 HB2 PRO 4 HB1 PRO 4 3.225 9.399 16.819 24 HB3 PRO 4 HB2 PRO 4 3.219 9.231 18.604 25 HG2 PRO 4 HG1 PRO 4 5.484 10.207 16.850 26 HG3 PRO 4 HG2 PRO 4 4.827 10.988 18.326 27 HD2 PRO 4 HD1 PRO 4 7.043 9.416 18.431 28 HD3 PRO 4 HD2 PRO 4 5.810 9.323 19.723 29 H LEU 5 H LEU 5 6.224 8.273 15.751 30 HA LEU 5 HA LEU 5 4.667 7.350 13.520 31 HB2 LEU 5 HB1 LEU 5 6.353 9.086 13.383 32 HB3 LEU 5 HB2 LEU 5 7.621 7.905 13.789 33 HG LEU 5 HG LEU 5 7.390 8.696 11.402 34 HD11 LEU 5 HD11 LEU 5 8.148 6.579 10.464 35 HD12 LEU 5 HD12 LEU 5 8.862 6.915 12.054 36 HD13 LEU 5 HD13 LEU 5 7.542 5.731 11.902 37 HD21 LEU 5 HD21 LEU 5 5.818 7.587 9.906 38 HD22 LEU 5 HD22 LEU 5 5.047 6.808 11.304 39 HD23 LEU 5 HD23 LEU 5 5.007 8.579 11.134 40 H GLU 6 H GLU 6 6.929 5.695 15.664 41 HA GLU 6 HA GLU 6 7.420 3.323 14.300 42 HB2 GLU 6 HB1 GLU 6 8.088 4.047 16.651 43 HB3 GLU 6 HB2 GLU 6 6.467 3.538 17.182 44 HG2 GLU 6 HG1 GLU 6 8.161 1.806 17.632 45 HG3 GLU 6 HG2 GLU 6 6.945 1.237 16.470 46 H LYS 7 H LYS 7 4.284 4.436 15.677 47 HA LYS 7 HA LYS 7 3.043 1.856 15.351 48 HB2 LYS 7 HB1 LYS 7 1.554 4.452 15.556 49 HB3 LYS 7 HB2 LYS 7 1.056 2.824 16.076 50 HG2 LYS 7 HG1 LYS 7 2.957 4.737 17.399 51 HG3 LYS 7 HG2 LYS 7 1.467 4.005 18.041 52 HD2 LYS 7 HD1 LYS 7 2.571 1.838 18.247 53 HD3 LYS 7 HD2 LYS 7 4.040 2.473 17.470 54 HE2 LYS 7 HE1 LYS 7 4.030 4.309 19.243 55 HE3 LYS 7 HE2 LYS 7 2.767 3.380 20.078 56 HZ1 LYS 7 HZ1 LYS 7 4.945 2.886 20.932 57 HZ2 LYS 7 HZ2 LYS 7 4.297 1.547 20.220 58 HZ3 LYS 7 HZ3 LYS 7 5.470 2.409 19.444 59 H ALA 8 H ALA 8 3.630 4.438 13.066 60 HA ALA 8 HA ALA 8 2.045 3.083 11.021 61 HB1 ALA 8 HB1 ALA 8 3.089 4.691 9.468 62 HB2 ALA 8 HB2 ALA 8 2.392 5.511 10.882 63 HB3 ALA 8 HB3 ALA 8 4.150 5.259 10.776 64 H LEU 9 H LEU 9 5.594 3.555 11.630 65 HA LEU 9 HA LEU 9 6.369 1.945 9.438 66 HB2 LEU 9 HB1 LEU 9 7.653 3.304 11.707 67 HB3 LEU 9 HB2 LEU 9 8.553 1.911 11.059 68 HG LEU 9 HG LEU 9 9.098 4.202 10.098 69 HD11 LEU 9 HD11 LEU 9 9.394 3.318 7.798 70 HD12 LEU 9 HD12 LEU 9 9.775 2.088 9.021 71 HD13 LEU 9 HD13 LEU 9 8.224 2.030 8.151 72 HD21 LEU 9 HD21 LEU 9 7.719 5.061 8.223 73 HD22 LEU 9 HD22 LEU 9 6.498 3.821 8.566 74 HD23 LEU 9 HD23 LEU 9 6.831 5.102 9.757 75 H THR 10 H THR 10 6.361 0.900 12.954 76 HA THR 10 HA THR 10 6.985 -1.789 12.554 77 HB THR 10 HB THR 10 5.156 -0.460 14.568 78 HG1 THR 10 HG1 THR 10 6.964 -1.044 15.886 79 HG21 THR 10 HG21 THR 10 5.266 -2.573 15.898 80 HG22 THR 10 HG22 THR 10 4.430 -2.841 14.355 81 HG23 THR 10 HG23 THR 10 6.119 -3.364 14.554 82 H THR 11 H THR 11 3.723 -0.270 12.303 83 HA THR 11 HA THR 11 2.298 -2.645 11.690 84 HB THR 11 HB THR 11 1.694 0.204 10.839 85 HG1 THR 11 HG1 THR 11 0.468 0.138 12.784 86 HG21 THR 11 HG21 THR 11 -0.673 -0.551 10.842 87 HG22 THR 11 HG22 THR 11 0.291 -1.470 9.665 88 HG23 THR 11 HG23 THR 11 -0.140 -2.202 11.228 89 H MET 12 H MET 12 3.726 -0.185 9.459 90 HA MET 12 HA MET 12 3.058 -1.477 7.050 91 HB2 MET 12 HB1 MET 12 5.288 0.417 7.803 92 HB3 MET 12 HB2 MET 12 5.121 -0.227 6.152 93 HG2 MET 12 HG1 MET 12 2.886 0.769 5.972 94 HG3 MET 12 HG2 MET 12 2.998 1.366 7.636 95 HE1 MET 12 HE1 MET 12 3.357 4.461 4.993 96 HE2 MET 12 HE2 MET 12 2.581 2.907 4.610 97 HE3 MET 12 HE3 MET 12 2.259 3.704 6.169 98 H VAL 13 H VAL 13 6.133 -1.839 9.004 99 HA VAL 13 HA VAL 13 7.233 -3.646 7.067 100 HB VAL 13 HB VAL 13 8.909 -4.310 8.692 101 HG11 VAL 13 HG11 VAL 13 10.051 -2.132 8.910 102 HG12 VAL 13 HG12 VAL 13 9.269 -2.313 7.326 103 HG13 VAL 13 HG13 VAL 13 8.514 -1.304 8.583 104 HG21 VAL 13 HG21 VAL 13 9.124 -3.266 10.911 105 HG22 VAL 13 HG22 VAL 13 7.552 -2.479 10.682 106 HG23 VAL 13 HG23 VAL 13 7.656 -4.253 10.781 107 H THR 14 H THR 14 5.232 -4.204 9.983 108 HA THR 14 HA THR 14 5.598 -7.061 9.994 109 HB THR 14 HB THR 14 3.311 -5.439 11.161 110 HG1 THR 14 HG1 THR 14 4.646 -5.564 13.032 111 HG21 THR 14 HG21 THR 14 3.134 -7.325 12.770 112 HG22 THR 14 HG22 THR 14 2.869 -7.882 11.104 113 HG23 THR 14 HG23 THR 14 4.431 -8.179 11.903 114 H THR 15 H THR 15 3.087 -4.921 8.580 115 HA THR 15 HA THR 15 1.544 -7.089 7.498 116 HB THR 15 HB THR 15 0.509 -5.273 6.054 117 HG1 THR 15 HG1 THR 15 1.028 -3.160 6.778 118 HG21 THR 15 HG21 THR 15 -0.693 -4.241 7.961 119 HG22 THR 15 HG22 THR 15 -0.488 -5.992 8.201 120 HG23 THR 15 HG23 THR 15 0.559 -4.844 9.069 121 H PHE 16 H PHE 16 4.285 -5.171 6.162 122 HA PHE 16 HA PHE 16 4.089 -6.333 3.535 123 HB2 PHE 16 HB1 PHE 16 5.329 -4.269 4.187 124 HB3 PHE 16 HB2 PHE 16 6.497 -5.279 5.055 125 HD1 PHE 16 HD2 PHE 16 8.086 -6.721 3.822 126 HD2 PHE 16 HD1 PHE 16 5.311 -4.146 1.764 127 HE1 PHE 16 HE2 PHE 16 9.482 -6.844 1.771 128 HE2 PHE 16 HE1 PHE 16 6.782 -4.160 -0.241 129 HZ PHE 16 HZ PHE 16 8.866 -5.510 -0.234 130 H HIS 17 H HIS 17 5.966 -7.236 6.458 131 HA HIS 17 HA HIS 17 7.185 -9.582 5.459 132 HB2 HIS 17 HB1 HIS 17 7.771 -8.272 7.512 133 HB3 HIS 17 HB2 HIS 17 6.350 -8.975 8.307 134 HD1 HIS 17 HD1 HIS 17 6.896 -12.042 7.301 135 HD2 HIS 17 HD2 HIS 17 9.610 -9.358 9.030 136 HE1 HIS 17 HE1 HIS 17 8.691 -13.459 8.428 137 HE2 HIS 17 HE2 HIS 17 10.379 -11.839 9.493 138 H LYS 18 H LYS 18 3.887 -9.132 6.773 139 HA LYS 18 HA LYS 18 3.179 -11.821 7.198 140 HB2 LYS 18 HB1 LYS 18 1.879 -9.991 8.000 141 HB3 LYS 18 HB2 LYS 18 1.629 -9.364 6.353 142 HG2 LYS 18 HG1 LYS 18 0.100 -11.136 5.825 143 HG3 LYS 18 HG2 LYS 18 0.502 -12.013 7.321 144 HD2 LYS 18 HD1 LYS 18 -0.495 -10.296 8.689 145 HD3 LYS 18 HD2 LYS 18 -0.676 -9.208 7.292 146 HE2 LYS 18 HE1 LYS 18 -2.030 -11.862 7.097 147 HE3 LYS 18 HE2 LYS 18 -2.703 -10.715 8.274 148 HZ1 LYS 18 HZ1 LYS 18 -3.715 -10.478 6.125 149 HZ2 LYS 18 HZ2 LYS 18 -2.881 -9.109 6.511 150 HZ3 LYS 18 HZ3 LYS 18 -2.257 -10.174 5.417 151 H TYR 19 H TYR 19 3.640 -10.207 4.094 152 HA TYR 19 HA TYR 19 2.430 -12.551 2.685 153 HB2 TYR 19 HB1 TYR 19 2.764 -9.643 1.879 154 HB3 TYR 19 HB2 TYR 19 2.237 -10.919 0.767 155 HD1 TYR 19 HD2 TYR 19 1.354 -9.000 3.795 156 HD2 TYR 19 HD1 TYR 19 -0.053 -11.720 0.780 157 HE1 TYR 19 HE2 TYR 19 -0.984 -8.497 4.462 158 HE2 TYR 19 HE1 TYR 19 -2.399 -11.255 1.455 159 HH TYR 19 HH TYR 19 -3.199 -8.935 4.061 160 H SER 20 H SER 20 5.186 -10.187 2.599 161 HA SER 20 HA SER 20 6.690 -11.487 0.576 162 HB2 SER 20 HB1 SER 20 8.475 -10.148 1.311 163 HB3 SER 20 HB2 SER 20 7.025 -9.218 1.765 164 HG SER 20 HG SER 20 8.594 -9.295 3.441 165 H GLY 21 H GLY 21 6.423 -12.131 4.046 166 HA2 GLY 21 HA2 GLY 21 7.999 -14.174 3.481 167 H ARG 22 H ARG 22 5.397 -14.342 2.772 168 HA ARG 22 HA ARG 22 5.733 -17.261 2.949 169 HB2 ARG 22 HB1 ARG 22 3.509 -17.710 2.593 170 HB3 ARG 22 HB2 ARG 22 3.632 -16.472 3.867 171 HG2 ARG 22 HG1 ARG 22 1.804 -15.741 2.732 172 HG3 ARG 22 HG2 ARG 22 3.090 -14.827 1.905 173 HD2 ARG 22 HD1 ARG 22 2.661 -17.406 0.636 174 HD3 ARG 22 HD2 ARG 22 1.144 -16.487 0.736 175 HE ARG 22 HE ARG 22 2.730 -14.606 -0.231 176 HH11 ARG 22 HH12 ARG 22 3.757 -17.770 -1.063 177 HH12 ARG 22 HH11 ARG 22 3.725 -17.485 -2.784 178 HH21 ARG 22 HH22 ARG 22 2.191 -14.381 -2.541 179 HH22 ARG 22 HH21 ARG 22 2.851 -15.599 -3.606 180 H GLU 23 H GLU 23 6.735 -14.923 0.991 181 HA GLU 23 HA GLU 23 6.797 -16.774 -1.335 182 HB2 GLU 23 HB1 GLU 23 7.529 -13.840 -1.033 183 HB3 GLU 23 HB2 GLU 23 7.898 -14.799 -2.487 184 HG2 GLU 23 HG1 GLU 23 5.476 -15.301 -2.737 185 HG3 GLU 23 HG2 GLU 23 5.135 -14.273 -1.328 186 H GLY 24 H GLY 24 9.129 -14.670 0.563 187 HA2 GLY 24 HA2 GLY 24 10.663 -15.640 1.409 188 H SER 25 H SER 25 10.335 -13.535 1.539 189 HA SER 25 HA SER 25 13.019 -12.438 1.844 190 HB2 SER 25 HB1 SER 25 12.627 -11.987 -0.535 191 HB3 SER 25 HB2 SER 25 11.064 -11.225 -0.151 192 HG SER 25 HG SER 25 12.750 -9.695 -0.455 193 H LYS 26 H LYS 26 12.957 -10.349 3.128 194 HA LYS 26 HA LYS 26 10.262 -9.855 4.335 195 HB2 LYS 26 HB1 LYS 26 12.988 -9.925 5.662 196 HB3 LYS 26 HB2 LYS 26 11.483 -9.405 6.458 197 HG2 LYS 26 HG1 LYS 26 10.515 -11.624 6.198 198 HG3 LYS 26 HG2 LYS 26 11.910 -12.162 5.231 199 HD2 LYS 26 HD1 LYS 26 12.222 -11.157 8.075 200 HD3 LYS 26 HD2 LYS 26 11.846 -12.859 7.712 201 HE2 LYS 26 HE1 LYS 26 13.900 -13.177 6.550 202 HE3 LYS 26 HE2 LYS 26 14.198 -11.428 6.432 203 HZ1 LYS 26 HZ1 LYS 26 15.541 -12.448 8.120 204 HZ2 LYS 26 HZ2 LYS 26 14.485 -11.384 8.805 205 HZ3 LYS 26 HZ3 LYS 26 14.209 -13.006 8.914 206 H LEU 27 H LEU 27 12.335 -8.635 2.271 207 HA LEU 27 HA LEU 27 12.180 -5.770 3.037 208 HB2 LEU 27 HB1 LEU 27 14.449 -5.627 1.830 209 HB3 LEU 27 HB2 LEU 27 14.420 -6.337 3.461 210 HG LEU 27 HG LEU 27 14.204 -8.195 1.134 211 HD11 LEU 27 HD11 LEU 27 16.647 -8.274 0.793 212 HD12 LEU 27 HD12 LEU 27 15.979 -6.677 0.390 213 HD13 LEU 27 HD13 LEU 27 16.842 -6.920 1.929 214 HD21 LEU 27 HD21 LEU 27 15.573 -9.688 2.566 215 HD22 LEU 27 HD22 LEU 27 15.740 -8.381 3.757 216 HD23 LEU 27 HD23 LEU 27 14.140 -9.089 3.429 217 H THR 28 H THR 28 12.006 -8.205 0.526 218 HA THR 28 HA THR 28 10.636 -6.287 -1.274 219 HB THR 28 HB THR 28 11.352 -7.718 -3.184 220 HG1 THR 28 HG1 THR 28 13.105 -9.150 -2.782 221 HG21 THR 28 HG21 THR 28 13.694 -6.929 -3.321 222 HG22 THR 28 HG22 THR 28 12.621 -5.663 -2.686 223 HG23 THR 28 HG23 THR 28 13.672 -6.579 -1.579 224 H LEU 29 H LEU 29 8.950 -7.399 -2.621 225 HA LEU 29 HA LEU 29 8.262 -10.179 -2.139 226 HB2 LEU 29 HB1 LEU 29 6.343 -10.048 -1.022 227 HB3 LEU 29 HB2 LEU 29 7.114 -8.588 -0.359 228 HG LEU 29 HG LEU 29 4.946 -8.688 -2.467 229 HD11 LEU 29 HD11 LEU 29 3.559 -7.684 -0.668 230 HD12 LEU 29 HD12 LEU 29 4.212 -9.263 -0.172 231 HD13 LEU 29 HD13 LEU 29 4.947 -7.763 0.442 232 HD21 LEU 29 HD21 LEU 29 4.824 -6.232 -2.247 233 HD22 LEU 29 HD22 LEU 29 6.221 -6.265 -1.152 234 HD23 LEU 29 HD23 LEU 29 6.409 -6.751 -2.855 235 H SER 30 H SER 30 6.247 -10.785 -3.756 236 HA SER 30 HA SER 30 7.034 -9.544 -6.223 237 HB2 SER 30 HB1 SER 30 5.547 -10.933 -7.439 238 HB3 SER 30 HB2 SER 30 6.381 -11.907 -6.204 239 HG SER 30 HG SER 30 4.142 -12.375 -6.345 240 H ARG 31 H ARG 31 5.911 -8.474 -7.716 241 HA ARG 31 HA ARG 31 4.284 -6.255 -6.986 242 HB2 ARG 31 HB1 ARG 31 6.172 -6.673 -8.607 243 HB3 ARG 31 HB2 ARG 31 5.008 -7.563 -9.617 244 HG2 ARG 31 HG1 ARG 31 3.897 -5.629 -10.252 245 HG3 ARG 31 HG2 ARG 31 4.564 -4.682 -8.900 246 HD2 ARG 31 HD1 ARG 31 6.152 -5.873 -11.208 247 HD3 ARG 31 HD2 ARG 31 5.688 -4.165 -11.050 248 HE ARG 31 HE ARG 31 7.765 -5.597 -9.504 249 HH11 ARG 31 HH12 ARG 31 6.357 -2.427 -10.251 250 HH12 ARG 31 HH11 ARG 31 7.703 -1.575 -9.548 251 HH21 ARG 31 HH22 ARG 31 9.431 -4.415 -8.631 252 HH22 ARG 31 HH21 ARG 31 9.392 -2.670 -8.659 253 H LYS 32 H LYS 32 3.427 -9.527 -8.122 254 HA LYS 32 HA LYS 32 0.599 -8.991 -8.288 255 HB2 LYS 32 HB1 LYS 32 2.388 -11.395 -8.179 256 HB3 LYS 32 HB2 LYS 32 0.671 -11.615 -7.765 257 HG2 LYS 32 HG1 LYS 32 -0.028 -10.665 -9.889 258 HG3 LYS 32 HG2 LYS 32 1.644 -10.202 -10.286 259 HD2 LYS 32 HD1 LYS 32 2.304 -12.567 -10.328 260 HD3 LYS 32 HD2 LYS 32 0.648 -13.048 -9.883 261 HE2 LYS 32 HE1 LYS 32 -0.240 -12.187 -11.955 262 HE3 LYS 32 HE2 LYS 32 1.308 -11.417 -12.366 263 HZ1 LYS 32 HZ1 LYS 32 0.996 -13.469 -13.543 264 HZ2 LYS 32 HZ2 LYS 32 2.279 -13.596 -12.515 265 HZ3 LYS 32 HZ3 LYS 32 0.842 -14.310 -12.134 266 H GLU 33 H GLU 33 2.667 -10.395 -5.672 267 HA GLU 33 HA GLU 33 0.585 -10.871 -3.835 268 HB2 GLU 33 HB1 GLU 33 2.915 -11.783 -3.808 269 HB3 GLU 33 HB2 GLU 33 3.484 -10.195 -3.240 270 HG2 GLU 33 HG1 GLU 33 3.292 -11.465 -1.290 271 HG3 GLU 33 HG2 GLU 33 1.813 -10.481 -1.318 272 H LEU 34 H LEU 34 2.664 -7.930 -4.168 273 HA LEU 34 HA LEU 34 1.721 -6.293 -2.166 274 HB2 LEU 34 HB1 LEU 34 3.428 -5.610 -3.757 275 HB3 LEU 34 HB2 LEU 34 2.260 -5.667 -5.099 276 HG LEU 34 HG LEU 34 0.984 -3.828 -4.025 277 HD11 LEU 34 HD11 LEU 34 2.010 -2.484 -2.216 278 HD12 LEU 34 HD12 LEU 34 1.691 -4.150 -1.688 279 HD13 LEU 34 HD13 LEU 34 3.346 -3.651 -2.115 280 HD21 LEU 34 HD21 LEU 34 2.564 -2.003 -4.559 281 HD22 LEU 34 HD22 LEU 34 3.909 -3.162 -4.509 282 HD23 LEU 34 HD23 LEU 34 2.651 -3.311 -5.759 283 H LYS 35 H LYS 35 -0.028 -7.106 -5.210 284 HA LYS 35 HA LYS 35 -2.054 -5.112 -4.840 285 HB2 LYS 35 HB1 LYS 35 -1.168 -6.660 -6.883 286 HB3 LYS 35 HB2 LYS 35 -2.651 -7.542 -6.443 287 HG2 LYS 35 HG1 LYS 35 -2.692 -4.550 -6.759 288 HG3 LYS 35 HG2 LYS 35 -2.755 -5.603 -8.193 289 HD2 LYS 35 HD1 LYS 35 -4.693 -6.091 -5.953 290 HD3 LYS 35 HD2 LYS 35 -4.964 -4.709 -7.042 291 HE2 LYS 35 HE1 LYS 35 -4.645 -7.604 -7.918 292 HE3 LYS 35 HE2 LYS 35 -6.187 -6.735 -7.777 293 HZ1 LYS 35 HZ1 LYS 35 -5.362 -6.721 -10.017 294 HZ2 LYS 35 HZ2 LYS 35 -5.391 -5.185 -9.418 295 HZ3 LYS 35 HZ3 LYS 35 -3.958 -5.991 -9.549 296 H GLU 36 H GLU 36 -1.879 -8.547 -3.946 297 HA GLU 36 HA GLU 36 -4.490 -8.742 -2.769 298 HB2 GLU 36 HB1 GLU 36 -3.246 -10.688 -3.515 299 HB3 GLU 36 HB2 GLU 36 -1.921 -10.317 -2.385 300 HG2 GLU 36 HG1 GLU 36 -3.131 -12.119 -1.449 301 HG3 GLU 36 HG2 GLU 36 -3.551 -10.674 -0.504 302 H LEU 37 H LEU 37 -1.236 -8.085 -1.375 303 HA LEU 37 HA LEU 37 -1.911 -7.759 1.321 304 HB2 LEU 37 HB1 LEU 37 0.332 -7.859 0.795 305 HB3 LEU 37 HB2 LEU 37 0.185 -6.680 -0.530 306 HG LEU 37 HG LEU 37 0.058 -4.857 1.062 307 HD11 LEU 37 HD11 LEU 37 0.512 -5.146 3.472 308 HD12 LEU 37 HD12 LEU 37 -0.996 -5.947 2.991 309 HD13 LEU 37 HD13 LEU 37 0.479 -6.908 3.257 310 HD21 LEU 37 HD21 LEU 37 2.398 -4.993 1.888 311 HD22 LEU 37 HD22 LEU 37 2.384 -6.751 1.621 312 HD23 LEU 37 HD23 LEU 37 2.257 -5.640 0.236 313 H ILE 38 H ILE 38 -1.934 -5.167 -1.239 314 HA ILE 38 HA ILE 38 -2.957 -3.185 0.517 315 HB ILE 38 HB ILE 38 -3.138 -3.399 -2.496 316 HG12 ILE 38 HG13 ILE 38 -1.358 -1.526 -0.917 317 HG13 ILE 38 HG12 ILE 38 -0.853 -3.207 -1.214 318 HG21 ILE 38 HG21 ILE 38 -3.639 -0.963 -2.467 319 HG22 ILE 38 HG22 ILE 38 -4.902 -1.890 -1.625 320 HG23 ILE 38 HG23 ILE 38 -3.680 -0.997 -0.689 321 HD11 ILE 38 HD11 ILE 38 0.044 -1.687 -2.951 322 HD12 ILE 38 HD12 ILE 38 -1.104 -2.852 -3.648 323 HD13 ILE 38 HD13 ILE 38 -1.611 -1.172 -3.351 324 H LYS 39 H LYS 39 -4.851 -5.418 -1.702 325 HA LYS 39 HA LYS 39 -7.281 -4.106 -0.882 326 HB2 LYS 39 HB1 LYS 39 -6.484 -6.237 -2.762 327 HB3 LYS 39 HB2 LYS 39 -8.142 -6.364 -2.125 328 HG2 LYS 39 HG1 LYS 39 -6.928 -3.977 -3.548 329 HG3 LYS 39 HG2 LYS 39 -8.096 -5.136 -4.230 330 HD2 LYS 39 HD1 LYS 39 -8.599 -3.081 -2.055 331 HD3 LYS 39 HD2 LYS 39 -9.241 -3.084 -3.716 332 HE2 LYS 39 HE1 LYS 39 -10.548 -5.105 -3.229 333 HE3 LYS 39 HE2 LYS 39 -9.868 -5.171 -1.590 334 HZ1 LYS 39 HZ1 LYS 39 -12.017 -4.138 -1.618 335 HZ2 LYS 39 HZ2 LYS 39 -10.872 -3.045 -1.155 336 HZ3 LYS 39 HZ3 LYS 39 -11.503 -2.983 -2.676 337 H LYS 40 H LYS 40 -5.552 -6.593 0.776 338 HA LYS 40 HA LYS 40 -7.961 -7.290 2.333 339 HB2 LYS 40 HB1 LYS 40 -5.183 -8.309 2.023 340 HB3 LYS 40 HB2 LYS 40 -5.885 -8.448 3.654 341 HG2 LYS 40 HG1 LYS 40 -6.278 -10.480 2.413 342 HG3 LYS 40 HG2 LYS 40 -7.818 -9.637 2.702 343 HD2 LYS 40 HD1 LYS 40 -7.850 -8.846 0.377 344 HD3 LYS 40 HD2 LYS 40 -6.268 -9.603 0.077 345 HE2 LYS 40 HE1 LYS 40 -7.244 -11.804 0.806 346 HE3 LYS 40 HE2 LYS 40 -8.830 -11.016 0.941 347 HZ1 LYS 40 HZ1 LYS 40 -8.577 -12.145 -1.144 348 HZ2 LYS 40 HZ2 LYS 40 -8.713 -10.520 -1.391 349 HZ3 LYS 40 HZ3 LYS 40 -7.241 -11.253 -1.518 350 H GLU 41 H GLU 41 -4.862 -5.468 2.797 351 HA GLU 41 HA GLU 41 -5.599 -5.126 5.626 352 HB2 GLU 41 HB1 GLU 41 -3.098 -4.163 4.245 353 HB3 GLU 41 HB2 GLU 41 -3.380 -4.367 5.991 354 HG2 GLU 41 HG1 GLU 41 -3.254 -6.621 3.973 355 HG3 GLU 41 HG2 GLU 41 -1.900 -6.086 4.993 356 H LEU 42 H LEU 42 -5.454 -3.151 2.678 357 HA LEU 42 HA LEU 42 -6.942 -1.053 4.144 358 HB2 LEU 42 HB1 LEU 42 -5.245 -1.099 1.750 359 HB3 LEU 42 HB2 LEU 42 -6.813 -0.303 1.470 360 HG LEU 42 HG LEU 42 -6.408 1.076 3.517 361 HD11 LEU 42 HD11 LEU 42 -4.117 1.275 4.428 362 HD12 LEU 42 HD12 LEU 42 -4.775 -0.357 4.667 363 HD13 LEU 42 HD13 LEU 42 -3.590 -0.053 3.373 364 HD21 LEU 42 HD21 LEU 42 -4.790 2.612 2.447 365 HD22 LEU 42 HD22 LEU 42 -4.285 1.309 1.349 366 HD23 LEU 42 HD23 LEU 42 -5.943 1.954 1.264 367 H CYS 43 H CYS 43 -8.927 -0.326 3.163 368 HA CYS 43 HA CYS 43 -10.723 -2.528 2.552 369 HB2 CYS 43 HB1 CYS 43 -10.868 -0.238 4.090 370 HB3 CYS 43 HB2 CYS 43 -11.890 0.156 2.685 371 HG CYS 43 HG CYS 43 -13.373 -0.790 4.628 372 H LEU 44 H LEU 44 -12.057 0.087 1.008 373 HA LEU 44 HA LEU 44 -11.992 1.103 -0.980 374 HB2 LEU 44 HB1 LEU 44 -9.709 -0.619 -1.916 375 HB3 LEU 44 HB2 LEU 44 -10.286 0.921 -2.597 376 HG LEU 44 HG LEU 44 -9.283 0.889 0.236 377 HD11 LEU 44 HD11 LEU 44 -6.976 1.117 -0.607 378 HD12 LEU 44 HD12 LEU 44 -7.672 -0.462 -1.054 379 HD13 LEU 44 HD13 LEU 44 -7.551 0.832 -2.270 380 HD21 LEU 44 HD21 LEU 44 -8.492 3.140 -0.368 381 HD22 LEU 44 HD22 LEU 44 -9.065 2.895 -2.035 382 HD23 LEU 44 HD23 LEU 44 -10.231 2.955 -0.692 383 H GLY 45 H GLY 45 -13.447 -1.307 -0.270 384 HA2 GLY 45 HA2 GLY 45 -14.341 -1.216 -2.734 385 H GLU 46 H GLU 46 -14.827 0.566 -1.132 386 HA GLU 46 HA GLU 46 -17.688 0.933 -1.268 387 HB2 GLU 46 HB1 GLU 46 -18.160 0.767 1.095 388 HB3 GLU 46 HB2 GLU 46 -17.545 -0.782 0.472 389 HG2 GLU 46 HG1 GLU 46 -16.063 1.211 2.203 390 HG3 GLU 46 HG2 GLU 46 -16.677 -0.385 2.685 391 H MET 47 H MET 47 -14.695 1.931 0.531 392 HA MET 47 HA MET 47 -15.273 4.723 -0.165 393 HB2 MET 47 HB1 MET 47 -12.959 5.089 0.874 394 HB3 MET 47 HB2 MET 47 -14.321 4.653 1.934 395 HG2 MET 47 HG1 MET 47 -13.553 2.342 2.007 396 HG3 MET 47 HG2 MET 47 -12.230 2.724 0.893 397 HE1 MET 47 HE1 MET 47 -9.868 4.927 2.939 398 HE2 MET 47 HE2 MET 47 -10.143 4.024 1.428 399 HE3 MET 47 HE3 MET 47 -11.160 5.432 1.821 400 H LYS 48 H LYS 48 -15.003 5.300 -2.128 401 HA LYS 48 HA LYS 48 -14.132 5.943 -4.026 402 HB2 LYS 48 HB1 LYS 48 -11.589 5.210 -2.599 403 HB3 LYS 48 HB2 LYS 48 -11.630 6.058 -4.164 404 HG2 LYS 48 HG1 LYS 48 -13.083 7.132 -1.736 405 HG3 LYS 48 HG2 LYS 48 -11.357 7.464 -2.017 406 HD2 LYS 48 HD1 LYS 48 -13.547 8.109 -4.028 407 HD3 LYS 48 HD2 LYS 48 -12.934 9.268 -2.826 408 HE2 LYS 48 HE1 LYS 48 -10.915 9.534 -3.898 409 HE3 LYS 48 HE2 LYS 48 -10.904 7.868 -4.518 410 HZ1 LYS 48 HZ1 LYS 48 -11.173 9.467 -6.272 411 HZ2 LYS 48 HZ2 LYS 48 -12.522 8.529 -6.144 412 HZ3 LYS 48 HZ3 LYS 48 -12.535 10.075 -5.568 413 H GLU 49 H GLU 49 -12.277 5.304 -5.738 414 HA GLU 49 HA GLU 49 -12.809 2.765 -7.005 415 HB2 GLU 49 HB1 GLU 49 -14.063 4.066 -8.895 416 HB3 GLU 49 HB2 GLU 49 -14.961 3.462 -7.482 417 HG2 GLU 49 HG1 GLU 49 -15.460 5.826 -8.413 418 HG3 GLU 49 HG2 GLU 49 -15.361 5.569 -6.657 419 H SER 50 H SER 50 -11.993 2.950 -9.362 420 HA SER 50 HA SER 50 -10.817 3.676 -11.101 421 HB2 SER 50 HB1 SER 50 -12.845 5.231 -10.937 422 HB3 SER 50 HB2 SER 50 -11.692 6.482 -10.414 423 HG SER 50 HG SER 50 -12.012 6.463 -12.693 424 H SER 51 H SER 51 -10.110 6.629 -9.111 425 HA SER 51 HA SER 51 -7.380 6.661 -9.962 426 HB2 SER 51 HB1 SER 51 -8.621 8.656 -9.184 427 HB3 SER 51 HB2 SER 51 -8.697 7.966 -7.545 428 HG SER 51 HG SER 51 -6.945 9.424 -7.817 429 H ILE 52 H ILE 52 -8.926 4.815 -7.372 430 HA ILE 52 HA ILE 52 -6.253 4.010 -6.412 431 HB ILE 52 HB ILE 52 -7.336 2.706 -4.723 432 HG12 ILE 52 HG13 ILE 52 -9.877 3.089 -4.351 433 HG13 ILE 52 HG12 ILE 52 -9.925 3.315 -6.116 434 HG21 ILE 52 HG21 ILE 52 -8.375 4.571 -3.459 435 HG22 ILE 52 HG22 ILE 52 -6.940 5.112 -4.357 436 HG23 ILE 52 HG23 ILE 52 -8.569 5.482 -4.973 437 HD11 ILE 52 HD11 ILE 52 -10.507 0.988 -5.499 438 HD12 ILE 52 HD12 ILE 52 -8.997 1.055 -6.431 439 HD13 ILE 52 HD13 ILE 52 -8.947 0.828 -4.666 440 H ASP 53 H ASP 53 -8.161 3.183 -8.986 441 HA ASP 53 HA ASP 53 -7.769 0.250 -8.785 442 HB2 ASP 53 HB1 ASP 53 -10.073 1.142 -8.907 443 HB3 ASP 53 HB2 ASP 53 -9.678 1.942 -10.445 444 H ASP 54 H ASP 54 -7.347 3.016 -11.077 445 HA ASP 54 HA ASP 54 -6.003 1.694 -13.164 446 HB2 ASP 54 HB1 ASP 54 -6.608 4.056 -13.287 447 HB3 ASP 54 HB2 ASP 54 -5.535 4.444 -11.925 448 H LEU 55 H LEU 55 -4.654 3.077 -10.143 449 HA LEU 55 HA LEU 55 -1.958 2.410 -10.452 450 HB2 LEU 55 HB1 LEU 55 -3.638 2.465 -7.921 451 HB3 LEU 55 HB2 LEU 55 -1.861 2.552 -7.996 452 HG LEU 55 HG LEU 55 -3.787 4.608 -9.106 453 HD11 LEU 55 HD11 LEU 55 -3.025 6.021 -7.229 454 HD12 LEU 55 HD12 LEU 55 -3.796 4.527 -6.649 455 HD13 LEU 55 HD13 LEU 55 -2.022 4.680 -6.628 456 HD21 LEU 55 HD21 LEU 55 -1.801 6.033 -9.434 457 HD22 LEU 55 HD22 LEU 55 -0.759 4.702 -8.885 458 HD23 LEU 55 HD23 LEU 55 -1.697 4.537 -10.388 459 H MET 56 H MET 56 -4.648 0.383 -9.260 460 HA MET 56 HA MET 56 -2.984 -1.859 -8.533 461 HB2 MET 56 HB1 MET 56 -5.969 -1.432 -8.892 462 HB3 MET 56 HB2 MET 56 -5.257 -2.950 -8.295 463 HG2 MET 56 HG1 MET 56 -4.767 -0.222 -7.048 464 HG3 MET 56 HG2 MET 56 -6.008 -1.355 -6.488 465 HE1 MET 56 HE1 MET 56 -4.424 -3.457 -4.053 466 HE2 MET 56 HE2 MET 56 -5.614 -2.155 -4.317 467 HE3 MET 56 HE3 MET 56 -5.602 -3.577 -5.387 468 H LYS 57 H LYS 57 -4.871 -1.063 -11.504 469 HA LYS 57 HA LYS 57 -4.113 -3.448 -12.908 470 HB2 LYS 57 HB1 LYS 57 -5.072 -0.714 -13.687 471 HB3 LYS 57 HB2 LYS 57 -4.338 -1.746 -14.937 472 HG2 LYS 57 HG1 LYS 57 -6.608 -2.202 -15.142 473 HG3 LYS 57 HG2 LYS 57 -6.018 -3.544 -14.133 474 HD2 LYS 57 HD1 LYS 57 -6.862 -2.385 -12.112 475 HD3 LYS 57 HD2 LYS 57 -7.471 -1.060 -13.134 476 HE2 LYS 57 HE1 LYS 57 -8.835 -2.759 -14.408 477 HE3 LYS 57 HE2 LYS 57 -8.321 -3.987 -13.230 478 HZ1 LYS 57 HZ1 LYS 57 -10.454 -3.066 -12.679 479 HZ2 LYS 57 HZ2 LYS 57 -9.354 -2.682 -11.514 480 HZ3 LYS 57 HZ3 LYS 57 -9.831 -1.541 -12.606 481 H SER 58 H SER 58 -2.387 -0.406 -12.240 482 HA SER 58 HA SER 58 -0.276 -0.829 -14.134 483 HB2 SER 58 HB1 SER 58 -1.123 1.299 -12.759 484 HB3 SER 58 HB2 SER 58 0.198 0.798 -11.675 485 HG SER 58 HG SER 58 0.898 2.254 -13.314 486 H LEU 59 H LEU 59 -0.819 -2.250 -10.977 487 HA LEU 59 HA LEU 59 1.962 -3.131 -10.639 488 HB2 LEU 59 HB1 LEU 59 -0.650 -3.799 -9.233 489 HB3 LEU 59 HB2 LEU 59 0.931 -4.477 -8.774 490 HG LEU 59 HG LEU 59 0.165 -1.538 -8.707 491 HD11 LEU 59 HD11 LEU 59 0.222 -1.847 -6.252 492 HD12 LEU 59 HD12 LEU 59 -0.989 -2.909 -7.008 493 HD13 LEU 59 HD13 LEU 59 0.571 -3.578 -6.477 494 HD21 LEU 59 HD21 LEU 59 2.311 -1.203 -7.530 495 HD22 LEU 59 HD22 LEU 59 2.705 -2.922 -7.761 496 HD23 LEU 59 HD23 LEU 59 2.562 -1.843 -9.170 497 H ASP 60 H ASP 60 -1.200 -4.567 -11.366 498 HA ASP 60 HA ASP 60 -0.584 -7.156 -12.124 499 HB2 ASP 60 HB1 ASP 60 -2.587 -5.072 -12.998 500 HB3 ASP 60 HB2 ASP 60 -2.573 -6.675 -13.765 501 H LYS 61 H LYS 61 -0.095 -4.183 -13.988 502 HA LYS 61 HA LYS 61 0.527 -5.264 -16.524 503 HB2 LYS 61 HB1 LYS 61 -0.145 -2.920 -15.604 504 HB3 LYS 61 HB2 LYS 61 1.606 -2.700 -15.367 505 HG2 LYS 61 HG1 LYS 61 1.624 -3.692 -17.889 506 HG3 LYS 61 HG2 LYS 61 0.028 -2.902 -17.896 507 HD2 LYS 61 HD1 LYS 61 1.651 -1.265 -18.601 508 HD3 LYS 61 HD2 LYS 61 1.141 -0.842 -16.950 509 HE2 LYS 61 HE1 LYS 61 3.566 -0.643 -17.134 510 HE3 LYS 61 HE2 LYS 61 3.153 -1.994 -16.055 511 HZ1 LYS 61 HZ1 LYS 61 4.929 -2.561 -17.549 512 HZ2 LYS 61 HZ2 LYS 61 3.605 -3.490 -17.861 513 HZ3 LYS 61 HZ3 LYS 61 3.988 -2.237 -18.861 514 H ASN 62 H ASN 62 2.478 -5.348 -13.698 515 HA ASN 62 HA ASN 62 4.776 -6.207 -15.343 516 HB2 ASN 62 HB1 ASN 62 4.725 -3.975 -13.402 517 HB3 ASN 62 HB2 ASN 62 6.122 -5.069 -13.286 518 HD21 ASN 62 HD21 ASN 62 7.432 -5.401 -15.230 519 HD22 ASN 62 HD22 ASN 62 7.496 -4.162 -16.469 520 H SER 63 H SER 63 3.580 -6.404 -11.844 521 HA SER 63 HA SER 63 2.636 -8.242 -10.995 522 HB2 SER 63 HB1 SER 63 2.564 -8.624 -13.860 523 HB3 SER 63 HB2 SER 63 2.655 -10.195 -13.025 524 HG SER 63 HG SER 63 0.496 -9.454 -13.297 525 H ASP 64 H ASP 64 5.204 -9.800 -13.046 526 HA ASP 64 HA ASP 64 5.384 -11.913 -10.962 527 HB2 ASP 64 HB1 ASP 64 5.906 -11.861 -13.950 528 HB3 ASP 64 HB2 ASP 64 6.426 -13.208 -12.912 529 H GLN 65 H GLN 65 6.607 -9.353 -10.768 530 HA GLN 65 HA GLN 65 9.518 -10.007 -10.733 531 HB2 GLN 65 HB1 GLN 65 7.918 -7.458 -11.214 532 HB3 GLN 65 HB2 GLN 65 9.658 -7.447 -10.842 533 HG2 GLN 65 HG1 GLN 65 10.055 -8.865 -12.868 534 HG3 GLN 65 HG2 GLN 65 8.325 -8.737 -13.257 535 HE21 GLN 65 HE12 GLN 65 11.336 -6.786 -12.841 536 HE22 GLN 65 HE22 GLN 65 10.779 -5.435 -13.799 537 H GLU 66 H GLU 66 10.653 -9.105 -8.842 538 HA GLU 66 HA GLU 66 9.082 -8.833 -6.460 539 HB2 GLU 66 HB1 GLU 66 11.964 -8.069 -6.999 540 HB3 GLU 66 HB2 GLU 66 11.191 -8.093 -5.395 541 HG2 GLU 66 HG1 GLU 66 10.764 -10.514 -5.641 542 HG3 GLU 66 HG2 GLU 66 11.539 -10.491 -7.239 543 H ILE 67 H ILE 67 9.253 -6.976 -5.042 544 HA ILE 67 HA ILE 67 9.259 -4.259 -6.176 545 HB ILE 67 HB ILE 67 6.947 -5.742 -5.114 546 HG12 ILE 67 HG13 ILE 67 7.566 -3.278 -6.719 547 HG13 ILE 67 HG12 ILE 67 6.939 -4.849 -7.270 548 HG21 ILE 67 HG21 ILE 67 5.874 -3.904 -3.876 549 HG22 ILE 67 HG22 ILE 67 7.328 -4.497 -3.046 550 HG23 ILE 67 HG23 ILE 67 7.382 -2.972 -3.962 551 HD11 ILE 67 HD11 ILE 67 5.238 -3.088 -7.477 552 HD12 ILE 67 HD12 ILE 67 4.769 -4.323 -6.298 553 HD13 ILE 67 HD13 ILE 67 5.396 -2.752 -5.746 554 H ASP 68 H ASP 68 10.140 -2.786 -4.862 555 HA ASP 68 HA ASP 68 11.413 -3.585 -2.343 556 HB2 ASP 68 HB1 ASP 68 12.537 -2.297 -4.156 557 HB3 ASP 68 HB2 ASP 68 11.371 -0.978 -3.910 558 H PHE 69 H PHE 69 10.899 -2.825 -0.319 559 HA PHE 69 HA PHE 69 8.387 -2.080 0.540 560 HB2 PHE 69 HB1 PHE 69 10.355 -2.911 1.827 561 HB3 PHE 69 HB2 PHE 69 11.075 -1.294 1.716 562 HD1 PHE 69 HD1 PHE 69 7.809 -2.835 2.785 563 HD2 PHE 69 HD2 PHE 69 10.947 -0.031 3.666 564 HE1 PHE 69 HE1 PHE 69 6.678 -2.244 4.911 565 HE2 PHE 69 HE2 PHE 69 9.768 0.634 5.752 566 HZ PHE 69 HZ PHE 69 7.613 -0.452 6.361 567 H LYS 70 H LYS 70 10.671 0.116 -0.992 568 HA LYS 70 HA LYS 70 9.514 2.619 -0.183 569 HB2 LYS 70 HB1 LYS 70 11.168 1.676 -2.551 570 HB3 LYS 70 HB2 LYS 70 10.767 3.384 -2.249 571 HG2 LYS 70 HG1 LYS 70 12.093 3.445 -0.275 572 HG3 LYS 70 HG2 LYS 70 12.254 1.672 -0.239 573 HD2 LYS 70 HD1 LYS 70 13.276 1.952 -2.649 574 HD3 LYS 70 HD2 LYS 70 13.502 3.655 -2.180 575 HE2 LYS 70 HE1 LYS 70 15.500 2.646 -1.477 576 HE3 LYS 70 HE2 LYS 70 14.518 2.690 0.002 577 HZ1 LYS 70 HZ1 LYS 70 15.560 0.561 -0.310 578 HZ2 LYS 70 HZ2 LYS 70 13.921 0.409 -0.402 579 HZ3 LYS 70 HZ3 LYS 70 14.832 0.368 -1.776 580 H GLU 71 H GLU 71 9.131 0.574 -3.130 581 HA GLU 71 HA GLU 71 7.198 2.142 -4.463 582 HB2 GLU 71 HB1 GLU 71 7.301 -0.890 -4.492 583 HB3 GLU 71 HB2 GLU 71 6.681 0.197 -5.759 584 HG2 GLU 71 HG1 GLU 71 9.017 1.067 -6.058 585 HG3 GLU 71 HG2 GLU 71 9.577 -0.175 -4.915 586 H TYR 72 H TYR 72 6.910 -0.191 -1.794 587 HA TYR 72 HA TYR 72 4.023 -0.283 -1.789 588 HB2 TYR 72 HB1 TYR 72 5.212 -2.104 -0.900 589 HB3 TYR 72 HB2 TYR 72 6.238 -1.060 0.098 590 HD1 TYR 72 HD2 TYR 72 2.552 -1.840 -0.237 591 HD2 TYR 72 HD1 TYR 72 5.871 -1.053 2.381 592 HE1 TYR 72 HE2 TYR 72 1.215 -2.659 1.691 593 HE2 TYR 72 HE1 TYR 72 4.540 -1.862 4.319 594 HH TYR 72 HH TYR 72 1.227 -3.208 3.909 595 H SER 73 H SER 73 6.398 1.544 0.253 596 HA SER 73 HA SER 73 4.393 2.866 1.778 597 HB2 SER 73 HB1 SER 73 6.165 4.279 2.591 598 HB3 SER 73 HB2 SER 73 6.717 2.589 2.510 599 HG SER 73 HG SER 73 8.267 4.071 1.699 600 H VAL 74 H VAL 74 6.051 3.915 -1.281 601 HA VAL 74 HA VAL 74 4.593 6.389 -1.321 602 HB VAL 74 HB VAL 74 5.232 6.722 -3.586 603 HG11 VAL 74 HG11 VAL 74 7.667 6.776 -3.310 604 HG12 VAL 74 HG12 VAL 74 6.816 7.252 -1.826 605 HG13 VAL 74 HG13 VAL 74 7.533 5.629 -1.959 606 HG21 VAL 74 HG21 VAL 74 6.589 5.189 -4.930 607 HG22 VAL 74 HG22 VAL 74 6.417 3.950 -3.671 608 HG23 VAL 74 HG23 VAL 74 4.986 4.523 -4.561 609 H PHE 75 H PHE 75 3.801 3.125 -2.654 610 HA PHE 75 HA PHE 75 1.531 4.085 -4.133 611 HB2 PHE 75 HB1 PHE 75 2.713 1.861 -4.395 612 HB3 PHE 75 HB2 PHE 75 1.855 1.328 -2.939 613 HD1 PHE 75 HD2 PHE 75 -0.787 1.465 -3.017 614 HD2 PHE 75 HD1 PHE 75 1.724 1.672 -6.503 615 HE1 PHE 75 HE2 PHE 75 -2.674 0.684 -4.430 616 HE2 PHE 75 HE1 PHE 75 -0.113 0.748 -7.884 617 HZ PHE 75 HZ PHE 75 -2.305 0.214 -6.845 618 H LEU 76 H LEU 76 1.875 2.829 -0.753 619 HA LEU 76 HA LEU 76 -0.857 3.123 -0.013 620 HB2 LEU 76 HB1 LEU 76 1.737 3.261 1.551 621 HB3 LEU 76 HB2 LEU 76 0.132 3.324 2.319 622 HG LEU 76 HG LEU 76 1.207 1.006 0.675 623 HD11 LEU 76 HD11 LEU 76 1.432 -0.082 2.890 624 HD12 LEU 76 HD12 LEU 76 2.419 1.398 2.797 625 HD13 LEU 76 HD13 LEU 76 0.875 1.415 3.683 626 HD21 LEU 76 HD21 LEU 76 -0.720 -0.258 1.571 627 HD22 LEU 76 HD22 LEU 76 -1.311 1.216 2.371 628 HD23 LEU 76 HD23 LEU 76 -1.255 1.127 0.595 629 H THR 77 H THR 77 1.914 5.395 0.290 630 HA THR 77 HA THR 77 0.540 7.603 1.390 631 HB THR 77 HB THR 77 2.928 7.414 -0.471 632 HG1 THR 77 HG1 THR 77 3.975 7.744 1.538 633 HG21 THR 77 HG21 THR 77 3.489 9.701 0.272 634 HG22 THR 77 HG22 THR 77 1.950 9.671 -0.616 635 HG23 THR 77 HG23 THR 77 1.951 9.787 1.160 636 H MET 78 H MET 78 0.965 6.620 -2.013 637 HA MET 78 HA MET 78 -0.365 8.866 -3.175 638 HB2 MET 78 HB1 MET 78 1.228 7.498 -4.391 639 HB3 MET 78 HB2 MET 78 0.191 6.064 -4.193 640 HG2 MET 78 HG1 MET 78 -1.437 6.897 -5.672 641 HG3 MET 78 HG2 MET 78 -0.784 8.543 -5.605 642 HE1 MET 78 HE1 MET 78 1.582 5.113 -7.693 643 HE2 MET 78 HE2 MET 78 1.571 5.407 -5.940 644 HE3 MET 78 HE3 MET 78 0.102 4.815 -6.753 645 H LEU 79 H LEU 79 -1.560 5.590 -2.222 646 HA LEU 79 HA LEU 79 -4.251 6.009 -3.024 647 HB2 LEU 79 HB1 LEU 79 -2.717 3.994 -1.746 648 HB3 LEU 79 HB2 LEU 79 -4.094 4.347 -0.674 649 HG LEU 79 HG LEU 79 -5.668 3.879 -2.453 650 HD11 LEU 79 HD11 LEU 79 -4.974 3.020 -4.671 651 HD12 LEU 79 HD12 LEU 79 -4.390 4.678 -4.406 652 HD13 LEU 79 HD13 LEU 79 -3.272 3.302 -4.241 653 HD21 LEU 79 HD21 LEU 79 -5.201 1.461 -2.738 654 HD22 LEU 79 HD22 LEU 79 -3.507 1.735 -2.267 655 HD23 LEU 79 HD23 LEU 79 -4.813 2.003 -1.088 656 H CYS 80 H CYS 80 -2.680 6.599 0.159 657 HA CYS 80 HA CYS 80 -4.916 7.877 1.379 658 HB2 CYS 80 HB1 CYS 80 -2.726 6.827 2.330 659 HB3 CYS 80 HB2 CYS 80 -2.033 8.447 2.060 660 HG CYS 80 HG CYS 80 -2.702 8.174 4.577 661 H MET 81 H MET 81 -3.311 8.981 -1.306 662 HA MET 81 HA MET 81 -4.437 11.682 -0.901 663 HB2 MET 81 HB1 MET 81 -1.881 11.517 -0.754 664 HB3 MET 81 HB2 MET 81 -1.927 11.204 -2.505 665 HG2 MET 81 HG1 MET 81 -2.706 13.332 -3.008 666 HG3 MET 81 HG2 MET 81 -3.416 13.569 -1.402 667 HE1 MET 81 HE1 MET 81 -0.636 14.790 0.828 668 HE2 MET 81 HE2 MET 81 -2.384 14.749 0.494 669 HE3 MET 81 HE3 MET 81 -1.494 13.232 0.760 670 H ALA 82 H ALA 82 -4.956 8.887 -2.542 671 HA ALA 82 HA ALA 82 -6.052 10.049 -4.989 672 HB1 ALA 82 HB1 ALA 82 -7.058 7.804 -5.226 673 HB2 ALA 82 HB2 ALA 82 -5.322 7.692 -4.849 674 HB3 ALA 82 HB3 ALA 82 -6.531 7.388 -3.578 675 H TYR 83 H TYR 83 -6.754 10.375 -1.895 676 HA TYR 83 HA TYR 83 -9.284 11.670 -1.929 677 HB2 TYR 83 HB1 TYR 83 -10.345 10.166 -0.252 678 HB3 TYR 83 HB2 TYR 83 -10.211 9.438 -1.862 679 HD1 TYR 83 HD1 TYR 83 -8.966 9.298 1.649 680 HD2 TYR 83 HD2 TYR 83 -8.874 7.451 -2.241 681 HE1 TYR 83 HE1 TYR 83 -7.951 7.262 2.648 682 HE2 TYR 83 HE2 TYR 83 -7.921 5.391 -1.240 683 HH TYR 83 HH TYR 83 -7.175 4.351 0.628 684 H ASN 84 H ASN 84 -9.352 12.966 0.002 685 HA ASN 84 HA ASN 84 -8.706 12.552 2.474 686 HB2 ASN 84 HB1 ASN 84 -6.547 13.392 3.151 687 HB3 ASN 84 HB2 ASN 84 -6.478 11.884 2.214 688 HD21 ASN 84 HD21 ASN 84 -4.160 12.537 2.100 689 HD22 ASN 84 HD22 ASN 84 -3.665 13.607 0.801 690 H ASP 85 H ASP 85 -10.484 13.908 1.580 691 HA ASP 85 HA ASP 85 -10.569 16.632 1.203 692 HB2 ASP 85 HB1 ASP 85 -12.549 15.149 2.954 693 HB3 ASP 85 HB2 ASP 85 -12.863 16.403 1.735 694 H PHE 86 H PHE 86 -10.239 14.898 4.301 695 HA PHE 86 HA PHE 86 -10.745 16.961 6.132 696 HB2 PHE 86 HB1 PHE 86 -8.684 14.732 6.355 697 HB3 PHE 86 HB2 PHE 86 -9.472 15.585 7.693 698 HD1 PHE 86 HD1 PHE 86 -12.108 15.397 7.773 699 HD2 PHE 86 HD2 PHE 86 -9.528 12.665 5.662 700 HE1 PHE 86 HE1 PHE 86 -13.894 13.672 7.815 701 HE2 PHE 86 HE2 PHE 86 -11.320 10.944 5.704 702 HZ PHE 86 HZ PHE 86 -13.504 11.446 6.780 703 H PHE 87 H PHE 87 -7.961 16.609 4.027 704 HA PHE 87 HA PHE 87 -6.391 18.497 5.675 705 HB2 PHE 87 HB1 PHE 87 -5.458 16.824 3.339 706 HB3 PHE 87 HB2 PHE 87 -4.454 17.762 4.458 707 HD1 PHE 87 HD2 PHE 87 -5.757 17.013 7.108 708 HD2 PHE 87 HD1 PHE 87 -4.602 14.648 3.708 709 HE1 PHE 87 HE2 PHE 87 -5.960 14.949 8.475 710 HE2 PHE 87 HE1 PHE 87 -4.791 12.587 5.077 711 HZ PHE 87 HZ PHE 87 -5.595 12.728 7.425 712 H LEU 88 H LEU 88 -8.593 18.701 3.239 713 HA LEU 88 HA LEU 88 -7.448 21.200 2.136 714 HB2 LEU 88 HB1 LEU 88 -9.620 19.255 1.407 715 HB3 LEU 88 HB2 LEU 88 -9.727 20.934 0.827 716 HG LEU 88 HG LEU 88 -8.761 19.451 -0.836 717 HD11 LEU 88 HD11 LEU 88 -6.735 20.771 -1.398 718 HD12 LEU 88 HD12 LEU 88 -8.051 21.808 -0.812 719 HD13 LEU 88 HD13 LEU 88 -6.695 21.396 0.263 720 HD21 LEU 88 HD21 LEU 88 -6.509 18.445 -0.606 721 HD22 LEU 88 HD22 LEU 88 -6.448 18.995 1.079 722 HD23 LEU 88 HD23 LEU 88 -7.650 17.780 0.579 723 H GLU 89 H GLU 89 -8.863 23.073 2.050 724 HA GLU 89 HA GLU 89 -9.688 23.753 4.739 725 HB2 GLU 89 HB1 GLU 89 -9.360 25.172 2.101 726 HB3 GLU 89 HB2 GLU 89 -10.234 25.976 3.427 727 HG2 GLU 89 HG1 GLU 89 -7.780 26.534 3.261 728 HG3 GLU 89 HG2 GLU 89 -8.318 25.932 4.844 729 H ASP 90 H ASP 90 -11.297 22.981 1.775 730 HA ASP 90 HA ASP 90 -13.884 22.506 2.788 731 HB2 ASP 90 HB1 ASP 90 -15.086 24.300 1.692 732 HB3 ASP 90 HB2 ASP 90 -13.969 24.940 2.917 733 H ASN 91 H ASN 91 -15.157 23.022 0.140 734 HA ASN 91 HA ASN 91 -14.356 20.513 -1.039 735 HB2 ASN 91 HB1 ASN 91 -16.696 21.469 -0.710 736 HB3 ASN 91 HB2 ASN 91 -16.363 22.509 -2.112 737 HD21 ASN 91 HD21 ASN 91 -15.148 20.839 -3.935 738 HD22 ASN 91 HD22 ASN 91 -16.215 19.504 -4.345 739 H LYS 92 H LYS 92 -12.071 21.357 -1.493 740 HA LYS 92 HA LYS 92 -11.808 22.460 -4.238 741 HB2 LYS 92 HB1 LYS 92 -10.031 22.202 -1.834 742 HB3 LYS 92 HB2 LYS 92 -9.276 22.147 -3.445 743 HG2 LYS 92 HG1 LYS 92 -9.176 24.396 -2.680 744 HG3 LYS 92 HG2 LYS 92 -10.404 24.316 -3.966 745 HD2 LYS 92 HD1 LYS 92 -12.190 24.341 -2.250 746 HD3 LYS 92 HD2 LYS 92 -10.953 24.452 -0.975 747 HE2 LYS 92 HE1 LYS 92 -10.081 26.541 -2.031 748 HE3 LYS 92 HE2 LYS 92 -11.356 26.438 -3.263 749 HZ1 LYS 92 HZ1 LYS 92 -11.955 27.906 -1.485 750 HZ2 LYS 92 HZ2 LYS 92 -12.972 26.608 -1.513 751 HZ3 LYS 92 HZ3 LYS 92 -11.789 26.703 -0.368 752 HA MET 1 HA MET 1 -10.488 3.714 8.060 753 HB2 MET 1 HB1 MET 1 -9.100 4.960 10.430 754 HB3 MET 1 HB2 MET 1 -8.237 3.940 9.253 755 HG2 MET 1 HG1 MET 1 -7.947 6.236 8.616 756 HG3 MET 1 HG2 MET 1 -9.012 5.455 7.437 757 HE1 MET 1 HE1 MET 1 -9.808 9.435 8.151 758 HE2 MET 1 HE2 MET 1 -8.303 8.646 8.673 759 HE3 MET 1 HE3 MET 1 -8.941 8.350 7.038 760 H GLU 2 H GLU 2 -11.017 1.541 8.094 761 HA GLU 2 HA GLU 2 -11.632 0.444 10.767 762 HB2 GLU 2 HB1 GLU 2 -12.341 -0.213 7.883 763 HB3 GLU 2 HB2 GLU 2 -12.820 -1.261 9.239 764 HG2 GLU 2 HG1 GLU 2 -14.525 0.445 8.344 765 HG3 GLU 2 HG2 GLU 2 -14.305 0.307 10.102 766 H THR 3 H THR 3 -9.578 -0.192 7.991 767 HA THR 3 HA THR 3 -9.058 -2.980 8.764 768 HB THR 3 HB THR 3 -7.976 -3.157 6.607 769 HG1 THR 3 HG1 THR 3 -7.871 -1.269 5.325 770 HG21 THR 3 HG21 THR 3 -9.839 -2.581 5.095 771 HG22 THR 3 HG22 THR 3 -10.428 -3.330 6.595 772 HG23 THR 3 HG23 THR 3 -10.553 -1.568 6.369 773 HA PRO 4 HA PRO 4 -5.527 -2.341 10.921 774 HB2 PRO 4 HB1 PRO 4 -3.696 -4.312 10.377 775 HB3 PRO 4 HB2 PRO 4 -5.313 -4.620 11.092 776 HG2 PRO 4 HG1 PRO 4 -4.507 -4.832 8.184 777 HG3 PRO 4 HG2 PRO 4 -5.409 -6.035 9.165 778 HD2 PRO 4 HD1 PRO 4 -6.687 -4.265 7.528 779 HD3 PRO 4 HD2 PRO 4 -7.372 -4.698 9.124 780 H LEU 5 H LEU 5 -4.242 -2.642 7.520 781 HA LEU 5 HA LEU 5 -1.807 -1.240 8.196 782 HB2 LEU 5 HB1 LEU 5 -1.878 -2.774 6.371 783 HB3 LEU 5 HB2 LEU 5 -3.195 -1.867 5.588 784 HG LEU 5 HG LEU 5 -1.670 -0.038 5.073 785 HD11 LEU 5 HD11 LEU 5 0.769 -0.240 5.450 786 HD12 LEU 5 HD12 LEU 5 -0.121 -0.193 6.990 787 HD13 LEU 5 HD13 LEU 5 0.500 -1.741 6.367 788 HD21 LEU 5 HD21 LEU 5 -0.312 -1.315 3.432 789 HD22 LEU 5 HD22 LEU 5 -0.613 -2.816 4.346 790 HD23 LEU 5 HD23 LEU 5 -1.963 -1.976 3.546 791 H GLU 6 H GLU 6 -5.017 -0.167 7.131 792 HA GLU 6 HA GLU 6 -4.425 2.531 6.545 793 HB2 GLU 6 HB1 GLU 6 -6.565 1.293 6.127 794 HB3 GLU 6 HB2 GLU 6 -6.924 1.423 7.865 795 HG2 GLU 6 HG1 GLU 6 -8.120 3.157 6.684 796 HG3 GLU 6 HG2 GLU 6 -6.833 3.903 7.657 797 H LYS 7 H LYS 7 -4.782 0.925 9.760 798 HA LYS 7 HA LYS 7 -4.650 3.217 11.376 799 HB2 LYS 7 HB1 LYS 7 -3.144 0.647 11.910 800 HB3 LYS 7 HB2 LYS 7 -3.730 1.832 13.101 801 HG2 LYS 7 HG1 LYS 7 -5.436 0.012 11.383 802 HG3 LYS 7 HG2 LYS 7 -5.104 -0.171 13.122 803 HD2 LYS 7 HD1 LYS 7 -6.154 2.137 13.441 804 HD3 LYS 7 HD2 LYS 7 -6.696 2.030 11.750 805 HE2 LYS 7 HE1 LYS 7 -7.187 -0.258 13.664 806 HE3 LYS 7 HE2 LYS 7 -8.275 1.146 13.654 807 HZ1 LYS 7 HZ1 LYS 7 -9.037 -0.580 12.189 808 HZ2 LYS 7 HZ2 LYS 7 -8.641 0.765 11.320 809 HZ3 LYS 7 HZ3 LYS 7 -7.631 -0.538 11.329 810 H ALA 8 H ALA 8 -1.985 1.810 9.457 811 HA ALA 8 HA ALA 8 0.106 3.328 10.733 812 HB1 ALA 8 HB1 ALA 8 1.449 2.595 8.789 813 HB2 ALA 8 HB2 ALA 8 0.521 1.242 9.479 814 HB3 ALA 8 HB3 ALA 8 -0.032 2.028 7.981 815 H LEU 9 H LEU 9 -1.679 3.774 7.630 816 HA LEU 9 HA LEU 9 -0.651 6.312 6.947 817 HB2 LEU 9 HB1 LEU 9 -3.293 4.945 6.436 818 HB3 LEU 9 HB2 LEU 9 -2.922 6.563 5.796 819 HG LEU 9 HG LEU 9 -2.635 4.995 4.060 820 HD11 LEU 9 HD11 LEU 9 -0.272 5.307 3.412 821 HD12 LEU 9 HD12 LEU 9 -0.960 6.784 4.119 822 HD13 LEU 9 HD13 LEU 9 0.122 5.752 5.085 823 HD21 LEU 9 HD21 LEU 9 -1.104 3.059 4.132 824 HD22 LEU 9 HD22 LEU 9 -0.736 3.422 5.831 825 HD23 LEU 9 HD23 LEU 9 -2.382 2.934 5.358 826 H THR 10 H THR 10 -3.507 5.447 8.967 827 HA THR 10 HA THR 10 -4.417 7.977 9.720 828 HB THR 10 HB THR 10 -4.288 5.439 11.384 829 HG1 THR 10 HG1 THR 10 -6.416 5.199 10.549 830 HG21 THR 10 HG21 THR 10 -6.260 6.373 12.567 831 HG22 THR 10 HG22 THR 10 -4.842 7.429 12.751 832 HG23 THR 10 HG23 THR 10 -6.130 7.859 11.599 833 H THR 11 H THR 11 -1.795 6.038 11.259 834 HA THR 11 HA THR 11 -1.107 7.920 13.285 835 HB THR 11 HB THR 11 0.595 5.843 11.864 836 HG1 THR 11 HG1 THR 11 0.120 4.659 13.777 837 HG21 THR 11 HG21 THR 11 2.061 5.943 13.863 838 HG22 THR 11 HG22 THR 11 2.006 7.509 13.027 839 HG23 THR 11 HG23 THR 11 1.065 7.260 14.518 840 H MET 12 H MET 12 0.208 7.406 9.970 841 HA MET 12 HA MET 12 2.181 9.441 10.093 842 HB2 MET 12 HB1 MET 12 0.748 8.178 7.738 843 HB3 MET 12 HB2 MET 12 2.040 9.388 7.553 844 HG2 MET 12 HG1 MET 12 3.562 7.925 8.844 845 HG3 MET 12 HG2 MET 12 2.276 6.713 8.964 846 HE1 MET 12 HE1 MET 12 5.493 6.317 6.166 847 HE2 MET 12 HE2 MET 12 5.373 7.741 7.226 848 HE3 MET 12 HE3 MET 12 5.209 6.106 7.911 849 H VAL 13 H VAL 13 -1.239 9.604 8.860 850 HA VAL 13 HA VAL 13 -0.935 12.316 8.028 851 HB VAL 13 HB VAL 13 -3.340 12.490 7.889 852 HG11 VAL 13 HG11 VAL 13 -3.721 10.801 6.133 853 HG12 VAL 13 HG12 VAL 13 -2.104 11.525 6.019 854 HG13 VAL 13 HG13 VAL 13 -2.304 9.897 6.709 855 HG21 VAL 13 HG21 VAL 13 -4.859 10.606 8.347 856 HG22 VAL 13 HG22 VAL 13 -3.499 9.689 9.022 857 HG23 VAL 13 HG23 VAL 13 -4.050 11.184 9.817 858 H THR 14 H THR 14 -1.856 10.918 11.174 859 HA THR 14 HA THR 14 -2.723 13.377 12.369 860 HB THR 14 HB THR 14 -1.625 10.862 13.673 861 HG1 THR 14 HG1 THR 14 -3.884 10.439 13.861 862 HG21 THR 14 HG21 THR 14 -2.938 11.593 15.652 863 HG22 THR 14 HG22 THR 14 -1.688 12.787 15.238 864 HG23 THR 14 HG23 THR 14 -3.386 13.085 14.796 865 H THR 15 H THR 15 0.460 11.727 12.287 866 HA THR 15 HA THR 15 1.823 13.687 13.891 867 HB THR 15 HB THR 15 3.885 12.625 12.649 868 HG1 THR 15 HG1 THR 15 3.373 10.497 11.971 869 HG21 THR 15 HG21 THR 15 3.871 10.725 14.237 870 HG22 THR 15 HG22 THR 15 3.321 12.224 15.016 871 HG23 THR 15 HG23 THR 15 2.137 10.988 14.525 872 H PHE 16 H PHE 16 1.930 13.045 10.334 873 HA PHE 16 HA PHE 16 3.504 15.220 9.580 874 HB2 PHE 16 HB1 PHE 16 2.914 13.298 8.170 875 HB3 PHE 16 HB2 PHE 16 1.235 13.860 8.089 876 HD1 PHE 16 HD2 PHE 16 0.656 15.908 6.802 877 HD2 PHE 16 HD1 PHE 16 4.633 14.265 6.759 878 HE1 PHE 16 HE2 PHE 16 1.206 17.270 4.811 879 HE2 PHE 16 HE1 PHE 16 5.133 15.533 4.680 880 HZ PHE 16 HZ PHE 16 3.416 17.046 3.698 881 H HIS 17 H HIS 17 -0.101 15.169 9.978 882 HA HIS 17 HA HIS 17 -0.630 17.726 9.006 883 HB2 HIS 17 HB1 HIS 17 -2.400 16.199 9.553 884 HB3 HIS 17 HB2 HIS 17 -1.935 16.184 11.265 885 HD1 HIS 17 HD1 HIS 17 -3.636 17.614 12.612 886 HD2 HIS 17 HD2 HIS 17 -2.759 19.127 8.793 887 HE1 HIS 17 HE1 HIS 17 -4.840 19.858 12.422 888 HE2 HIS 17 HE2 HIS 17 -4.320 20.804 10.094 889 H LYS 18 H LYS 18 0.459 16.965 12.410 890 HA LYS 18 HA LYS 18 0.154 19.496 13.563 891 HB2 LYS 18 HB1 LYS 18 0.933 17.280 14.539 892 HB3 LYS 18 HB2 LYS 18 2.549 17.665 13.900 893 HG2 LYS 18 HG1 LYS 18 1.049 18.981 16.143 894 HG3 LYS 18 HG2 LYS 18 2.563 18.048 16.212 895 HD2 LYS 18 HD1 LYS 18 2.191 20.870 15.188 896 HD3 LYS 18 HD2 LYS 18 3.005 20.355 16.685 897 HE2 LYS 18 HE1 LYS 18 4.873 19.524 15.527 898 HE3 LYS 18 HE2 LYS 18 4.005 19.461 13.977 899 HZ1 LYS 18 HZ1 LYS 18 5.563 21.279 14.051 900 HZ2 LYS 18 HZ2 LYS 18 4.024 21.856 13.944 901 HZ3 LYS 18 HZ3 LYS 18 4.830 21.914 15.382 902 H TYR 19 H TYR 19 2.719 18.379 11.384 903 HA TYR 19 HA TYR 19 4.286 20.840 11.721 904 HB2 TYR 19 HB1 TYR 19 4.849 18.233 10.286 905 HB3 TYR 19 HB2 TYR 19 6.000 19.563 10.489 906 HD1 TYR 19 HD1 TYR 19 4.063 16.963 12.199 907 HD2 TYR 19 HD2 TYR 19 7.138 19.906 12.691 908 HE1 TYR 19 HE1 TYR 19 4.662 15.930 14.367 909 HE2 TYR 19 HE2 TYR 19 7.665 18.973 14.931 910 HH TYR 19 HH TYR 19 7.166 17.368 16.497 911 H SER 20 H SER 20 1.920 19.648 9.514 912 HA SER 20 HA SER 20 2.529 21.687 7.496 913 HB2 SER 20 HB1 SER 20 0.112 19.892 7.970 914 HB3 SER 20 HB2 SER 20 0.305 20.989 6.581 915 HG SER 20 HG SER 20 0.951 18.836 6.113 916 H GLY 21 H GLY 21 0.082 21.251 10.157 917 HA2 GLY 21 HA2 GLY 21 -0.602 23.675 9.342 918 H ARG 22 H ARG 22 1.411 23.280 11.379 919 HA ARG 22 HA ARG 22 1.383 25.865 12.590 920 HB2 ARG 22 HB1 ARG 22 3.782 25.422 12.905 921 HB3 ARG 22 HB2 ARG 22 2.796 23.997 13.313 922 HG2 ARG 22 HG1 ARG 22 4.425 22.961 12.100 923 HG3 ARG 22 HG2 ARG 22 3.310 23.373 10.775 924 HD2 ARG 22 HD1 ARG 22 5.519 23.893 10.024 925 HD3 ARG 22 HD2 ARG 22 4.717 25.441 10.371 926 HE ARG 22 HE ARG 22 6.288 24.211 12.527 927 HH11 ARG 22 HH12 ARG 22 5.990 26.976 10.366 928 HH12 ARG 22 HH11 ARG 22 7.445 27.717 10.983 929 HH21 ARG 22 HH22 ARG 22 8.213 25.060 13.114 930 HH22 ARG 22 HH21 ARG 22 8.691 26.638 12.527 931 H GLU 23 H GLU 23 1.625 25.108 9.284 932 HA GLU 23 HA GLU 23 3.659 27.188 8.642 933 HB2 GLU 23 HB1 GLU 23 3.737 24.569 8.080 934 HB3 GLU 23 HB2 GLU 23 2.687 25.063 6.731 935 HG2 GLU 23 HG1 GLU 23 4.756 25.184 5.723 936 HG3 GLU 23 HG2 GLU 23 4.595 26.849 6.320 937 H GLY 24 H GLY 24 0.367 26.040 7.939 938 HA2 GLY 24 HA2 GLY 24 -1.061 26.819 7.145 939 H SER 25 H SER 25 -0.234 24.770 6.498 940 HA SER 25 HA SER 25 -2.138 24.251 4.270 941 HB2 SER 25 HB1 SER 25 0.069 24.244 3.232 942 HB3 SER 25 HB2 SER 25 0.719 23.221 4.535 943 HG SER 25 HG SER 25 0.264 22.039 2.617 944 H LYS 26 H LYS 26 -2.978 21.867 4.429 945 HA LYS 26 HA LYS 26 -2.085 20.597 6.972 946 HB2 LYS 26 HB1 LYS 26 -4.744 20.154 5.605 947 HB3 LYS 26 HB2 LYS 26 -4.223 19.528 7.186 948 HG2 LYS 26 HG1 LYS 26 -3.981 21.951 7.933 949 HG3 LYS 26 HG2 LYS 26 -4.797 22.412 6.422 950 HD2 LYS 26 HD1 LYS 26 -5.937 20.604 8.576 951 HD3 LYS 26 HD2 LYS 26 -6.344 22.321 8.336 952 HE2 LYS 26 HE1 LYS 26 -6.784 20.268 6.165 953 HE3 LYS 26 HE2 LYS 26 -7.978 20.536 7.455 954 HZ1 LYS 26 HZ1 LYS 26 -8.473 21.817 5.506 955 HZ2 LYS 26 HZ2 LYS 26 -8.115 22.813 6.767 956 HZ3 LYS 26 HZ3 LYS 26 -7.007 22.565 5.570 957 H LEU 27 H LEU 27 -1.415 20.355 3.781 958 HA LEU 27 HA LEU 27 -0.774 17.498 4.044 959 HB2 LEU 27 HB1 LEU 27 -1.471 16.918 1.843 960 HB3 LEU 27 HB2 LEU 27 -2.829 17.615 2.758 961 HG LEU 27 HG LEU 27 -1.262 19.320 0.825 962 HD11 LEU 27 HD11 LEU 27 -2.876 18.655 -0.949 963 HD12 LEU 27 HD12 LEU 27 -1.922 17.257 -0.399 964 HD13 LEU 27 HD13 LEU 27 -3.599 17.465 0.159 965 HD21 LEU 27 HD21 LEU 27 -3.439 20.493 0.612 966 HD22 LEU 27 HD22 LEU 27 -4.178 19.315 1.718 967 HD23 LEU 27 HD23 LEU 27 -2.915 20.421 2.307 968 H THR 28 H THR 28 0.602 20.414 3.666 969 HA THR 28 HA THR 28 3.079 19.209 2.589 970 HB THR 28 HB THR 28 3.640 21.379 1.488 971 HG1 THR 28 HG1 THR 28 1.873 22.761 1.033 972 HG21 THR 28 HG21 THR 28 2.274 21.071 -0.547 973 HG22 THR 28 HG22 THR 28 2.832 19.516 0.105 974 HG23 THR 28 HG23 THR 28 1.153 20.045 0.372 975 H LEU 29 H LEU 29 5.031 20.598 3.185 976 HA LEU 29 HA LEU 29 4.833 22.652 5.183 977 HB2 LEU 29 HB1 LEU 29 5.803 21.625 7.066 978 HB3 LEU 29 HB2 LEU 29 4.447 20.588 6.563 979 HG LEU 29 HG LEU 29 7.382 20.020 6.012 980 HD11 LEU 29 HD11 LEU 29 7.120 18.293 7.775 981 HD12 LEU 29 HD12 LEU 29 6.801 19.921 8.420 982 HD13 LEU 29 HD13 LEU 29 5.446 18.831 8.050 983 HD21 LEU 29 HD21 LEU 29 6.604 17.747 5.416 984 HD22 LEU 29 HD22 LEU 29 4.921 18.258 5.675 985 HD23 LEU 29 HD23 LEU 29 5.877 18.974 4.356 986 H SER 30 H SER 30 7.107 23.458 5.866 987 HA SER 30 HA SER 30 8.792 23.572 3.581 988 HB2 SER 30 HB1 SER 30 10.433 24.683 5.135 989 HB3 SER 30 HB2 SER 30 8.801 25.394 5.138 990 HG SER 30 HG SER 30 9.649 25.103 7.256 991 H ARG 31 H ARG 31 10.888 22.727 3.065 992 HA ARG 31 HA ARG 31 11.624 20.202 4.087 993 HB2 ARG 31 HB1 ARG 31 13.986 21.636 3.283 994 HB3 ARG 31 HB2 ARG 31 13.236 20.159 2.630 995 HG2 ARG 31 HG1 ARG 31 12.375 22.903 1.776 996 HG3 ARG 31 HG2 ARG 31 13.774 22.070 1.055 997 HD2 ARG 31 HD1 ARG 31 11.000 20.890 1.057 998 HD3 ARG 31 HD2 ARG 31 11.583 21.988 -0.212 999 HE ARG 31 HE ARG 31 13.467 19.894 0.116 1000 HH11 ARG 31 HH12 ARG 31 10.293 20.391 -1.413 1001 HH12 ARG 31 HH11 ARG 31 10.440 18.959 -2.389 1002 HH21 ARG 31 HH22 ARG 31 13.475 17.986 -1.076 1003 HH22 ARG 31 HH21 ARG 31 12.186 17.640 -2.202 1004 H LYS 32 H LYS 32 12.183 23.373 5.565 1005 HA LYS 32 HA LYS 32 13.941 22.504 7.645 1006 HB2 LYS 32 HB1 LYS 32 11.847 24.691 7.515 1007 HB3 LYS 32 HB2 LYS 32 12.902 24.429 8.925 1008 HG2 LYS 32 HG1 LYS 32 14.115 24.857 6.218 1009 HG3 LYS 32 HG2 LYS 32 13.474 26.244 7.130 1010 HD2 LYS 32 HD1 LYS 32 14.988 25.738 8.986 1011 HD3 LYS 32 HD2 LYS 32 15.617 24.329 8.099 1012 HE2 LYS 32 HE1 LYS 32 17.056 26.441 8.112 1013 HE3 LYS 32 HE2 LYS 32 16.759 25.671 6.539 1014 HZ1 LYS 32 HZ1 LYS 32 16.561 28.052 6.413 1015 HZ2 LYS 32 HZ2 LYS 32 15.109 27.342 6.102 1016 HZ3 LYS 32 HZ3 LYS 32 15.383 28.058 7.563 1017 H GLU 33 H GLU 33 10.295 22.981 7.942 1018 HA GLU 33 HA GLU 33 10.360 21.880 10.565 1019 HB2 GLU 33 HB1 GLU 33 8.638 23.431 9.794 1020 HB3 GLU 33 HB2 GLU 33 7.996 22.183 8.700 1021 HG2 GLU 33 HG1 GLU 33 6.557 21.996 10.463 1022 HG3 GLU 33 HG2 GLU 33 7.774 20.767 10.874 1023 H LEU 34 H LEU 34 10.037 20.161 7.416 1024 HA LEU 34 HA LEU 34 9.170 17.671 8.383 1025 HB2 LEU 34 HB1 LEU 34 9.669 18.327 5.977 1026 HB3 LEU 34 HB2 LEU 34 11.390 18.060 6.338 1027 HG LEU 34 HG LEU 34 10.494 15.725 7.245 1028 HD11 LEU 34 HD11 LEU 34 8.605 14.858 5.913 1029 HD12 LEU 34 HD12 LEU 34 8.112 16.246 6.910 1030 HD13 LEU 34 HD13 LEU 34 8.399 16.459 5.166 1031 HD21 LEU 34 HD21 LEU 34 10.940 14.704 5.044 1032 HD22 LEU 34 HD22 LEU 34 10.783 16.298 4.274 1033 HD23 LEU 34 HD23 LEU 34 12.114 15.988 5.414 1034 H LYS 35 H LYS 35 12.493 19.111 8.650 1035 HA LYS 35 HA LYS 35 13.444 16.608 9.763 1036 HB2 LYS 35 HB1 LYS 35 15.549 17.418 9.716 1037 HB3 LYS 35 HB2 LYS 35 14.739 18.154 8.311 1038 HG2 LYS 35 HG1 LYS 35 14.518 20.183 10.065 1039 HG3 LYS 35 HG2 LYS 35 16.005 19.416 10.674 1040 HD2 LYS 35 HD1 LYS 35 15.514 20.206 7.769 1041 HD3 LYS 35 HD2 LYS 35 16.445 21.171 8.939 1042 HE2 LYS 35 HE1 LYS 35 18.168 19.531 9.079 1043 HE3 LYS 35 HE2 LYS 35 17.169 18.297 8.282 1044 HZ1 LYS 35 HZ1 LYS 35 18.818 19.195 6.804 1045 HZ2 LYS 35 HZ2 LYS 35 17.309 19.579 6.265 1046 HZ3 LYS 35 HZ3 LYS 35 18.237 20.724 7.007 1047 H GLU 36 H GLU 36 12.011 19.457 11.179 1048 HA GLU 36 HA GLU 36 12.458 18.596 13.896 1049 HB2 GLU 36 HB1 GLU 36 11.804 20.876 13.308 1050 HB3 GLU 36 HB2 GLU 36 10.254 20.280 12.668 1051 HG2 GLU 36 HG1 GLU 36 9.757 21.169 14.783 1052 HG3 GLU 36 HG2 GLU 36 9.778 19.408 15.004 1053 H LEU 37 H LEU 37 9.734 17.984 11.565 1054 HA LEU 37 HA LEU 37 8.117 16.339 13.125 1055 HB2 LEU 37 HB1 LEU 37 7.354 17.045 10.998 1056 HB3 LEU 37 HB2 LEU 37 8.762 16.340 10.169 1057 HG LEU 37 HG LEU 37 7.872 14.070 10.815 1058 HD11 LEU 37 HD11 LEU 37 5.452 13.815 11.243 1059 HD12 LEU 37 HD12 LEU 37 6.260 14.679 12.562 1060 HD13 LEU 37 HD13 LEU 37 5.299 15.577 11.364 1061 HD21 LEU 37 HD21 LEU 37 6.231 14.042 8.949 1062 HD22 LEU 37 HD22 LEU 37 6.117 15.815 9.032 1063 HD23 LEU 37 HD23 LEU 37 7.647 15.042 8.549 1064 H ILE 38 H ILE 38 10.787 15.160 10.957 1065 HA ILE 38 HA ILE 38 10.354 12.436 11.658 1066 HB ILE 38 HB ILE 38 12.681 13.846 10.325 1067 HG12 ILE 38 HG13 ILE 38 10.433 12.085 9.250 1068 HG13 ILE 38 HG12 ILE 38 10.434 13.865 9.218 1069 HG21 ILE 38 HG21 ILE 38 13.451 11.613 9.568 1070 HG22 ILE 38 HG22 ILE 38 13.519 11.751 11.339 1071 HG23 ILE 38 HG23 ILE 38 12.197 10.843 10.566 1072 HD11 ILE 38 HD11 ILE 38 11.066 12.935 7.020 1073 HD12 ILE 38 HD12 ILE 38 12.407 13.839 7.752 1074 HD13 ILE 38 HD13 ILE 38 12.410 12.059 7.783 1075 H LYS 39 H LYS 39 12.496 14.873 13.158 1076 HA LYS 39 HA LYS 39 13.789 12.936 14.880 1077 HB2 LYS 39 HB1 LYS 39 13.776 15.898 14.486 1078 HB3 LYS 39 HB2 LYS 39 14.363 15.272 16.045 1079 HG2 LYS 39 HG1 LYS 39 15.406 14.191 13.417 1080 HG3 LYS 39 HG2 LYS 39 16.087 15.663 14.152 1081 HD2 LYS 39 HD1 LYS 39 16.677 14.403 16.185 1082 HD3 LYS 39 HD2 LYS 39 15.933 12.933 15.511 1083 HE2 LYS 39 HE1 LYS 39 17.566 12.821 13.742 1084 HE3 LYS 39 HE2 LYS 39 18.197 14.434 14.143 1085 HZ1 LYS 39 HZ1 LYS 39 19.620 12.693 14.958 1086 HZ2 LYS 39 HZ2 LYS 39 18.980 13.539 16.220 1087 HZ3 LYS 39 HZ3 LYS 39 18.394 12.043 15.846 1088 H LYS 40 H LYS 40 10.743 14.695 15.184 1089 HA LYS 40 HA LYS 40 10.492 13.928 18.023 1090 HB2 LYS 40 HB1 LYS 40 9.019 15.633 16.062 1091 HB3 LYS 40 HB2 LYS 40 8.063 14.885 17.364 1092 HG2 LYS 40 HG1 LYS 40 8.690 17.091 18.036 1093 HG3 LYS 40 HG2 LYS 40 9.588 15.912 19.021 1094 HD2 LYS 40 HD1 LYS 40 11.631 16.358 17.802 1095 HD3 LYS 40 HD2 LYS 40 10.766 17.385 16.634 1096 HE2 LYS 40 HE1 LYS 40 10.124 18.929 18.440 1097 HE3 LYS 40 HE2 LYS 40 10.924 17.886 19.635 1098 HZ1 LYS 40 HZ1 LYS 40 12.291 19.746 19.023 1099 HZ2 LYS 40 HZ2 LYS 40 13.001 18.337 18.545 1100 HZ3 LYS 40 HZ3 LYS 40 12.259 19.304 17.435 1101 H GLU 41 H GLU 41 9.323 12.929 14.839 1102 HA GLU 41 HA GLU 41 7.273 11.144 15.453 1103 HB2 GLU 41 HB1 GLU 41 9.309 11.507 13.280 1104 HB3 GLU 41 HB2 GLU 41 8.383 9.986 13.300 1105 HG2 GLU 41 HG1 GLU 41 6.276 11.406 13.421 1106 HG3 GLU 41 HG2 GLU 41 7.305 12.818 13.094 1107 H LEU 42 H LEU 42 10.809 10.486 15.357 1108 HA LEU 42 HA LEU 42 10.382 7.971 16.869 1109 HB2 LEU 42 HB1 LEU 42 10.664 7.890 14.177 1110 HB3 LEU 42 HB2 LEU 42 12.380 7.937 14.650 1111 HG LEU 42 HG LEU 42 10.438 5.967 15.869 1112 HD11 LEU 42 HD11 LEU 42 11.177 4.307 14.181 1113 HD12 LEU 42 HD12 LEU 42 10.353 5.686 13.417 1114 HD13 LEU 42 HD13 LEU 42 12.128 5.569 13.364 1115 HD21 LEU 42 HD21 LEU 42 12.472 4.621 16.289 1116 HD22 LEU 42 HD22 LEU 42 13.456 5.877 15.508 1117 HD23 LEU 42 HD23 LEU 42 12.597 6.233 17.025 1118 H CYS 43 H CYS 43 11.879 7.729 18.473 1119 HA CYS 43 HA CYS 43 13.332 10.104 19.169 1120 HB2 CYS 43 HB1 CYS 43 13.749 8.839 21.297 1121 HB3 CYS 43 HB2 CYS 43 12.035 8.952 20.824 1122 HG CYS 43 HG CYS 43 12.523 6.588 21.837 1123 H LEU 44 H LEU 44 14.727 9.608 17.046 1124 HA LEU 44 HA LEU 44 17.095 8.003 17.419 1125 HB2 LEU 44 HB1 LEU 44 16.410 10.175 15.419 1126 HB3 LEU 44 HB2 LEU 44 17.809 9.081 15.323 1127 HG LEU 44 HG LEU 44 15.160 7.786 15.637 1128 HD11 LEU 44 HD11 LEU 44 14.510 8.111 13.300 1129 HD12 LEU 44 HD12 LEU 44 14.582 9.650 14.189 1130 HD13 LEU 44 HD13 LEU 44 15.891 9.209 13.067 1131 HD21 LEU 44 HD21 LEU 44 16.018 6.183 14.001 1132 HD22 LEU 44 HD22 LEU 44 17.462 7.193 13.774 1133 HD23 LEU 44 HD23 LEU 44 17.149 6.426 15.349 1134 H GLY 45 H GLY 45 17.320 8.988 19.582 1135 HA2 GLY 45 HA2 GLY 45 19.095 10.923 19.176 1136 H GLU 46 H GLU 46 19.758 7.798 20.121 1137 HA GLU 46 HA GLU 46 22.271 8.384 18.785 1138 HB2 GLU 46 HB1 GLU 46 22.209 5.980 18.102 1139 HB3 GLU 46 HB2 GLU 46 22.162 6.266 19.858 1140 HG2 GLU 46 HG1 GLU 46 19.987 5.521 20.064 1141 HG3 GLU 46 HG2 GLU 46 19.583 5.888 18.373 1142 H MET 47 H MET 47 22.516 8.978 16.734 1143 HA MET 47 HA MET 47 20.316 8.731 14.786 1144 HB2 MET 47 HB1 MET 47 21.813 10.813 15.165 1145 HB3 MET 47 HB2 MET 47 23.077 9.881 14.326 1146 HG2 MET 47 HG1 MET 47 21.971 11.188 12.669 1147 HG3 MET 47 HG2 MET 47 21.442 9.511 12.453 1148 HE1 MET 47 HE1 MET 47 17.675 9.674 12.540 1149 HE2 MET 47 HE2 MET 47 19.078 9.284 11.526 1150 HE3 MET 47 HE3 MET 47 18.954 8.617 13.172 1151 H LYS 48 H LYS 48 20.196 7.030 13.493 1152 HA LYS 48 HA LYS 48 22.276 4.976 13.616 1153 HB2 LYS 48 HB1 LYS 48 19.728 4.833 12.010 1154 HB3 LYS 48 HB2 LYS 48 20.690 3.505 12.701 1155 HG2 LYS 48 HG1 LYS 48 19.060 5.483 14.303 1156 HG3 LYS 48 HG2 LYS 48 18.505 3.867 13.804 1157 HD2 LYS 48 HD1 LYS 48 20.928 4.315 15.551 1158 HD3 LYS 48 HD2 LYS 48 19.282 4.103 16.193 1159 HE2 LYS 48 HE1 LYS 48 19.175 1.899 14.951 1160 HE3 LYS 48 HE2 LYS 48 20.896 2.105 14.558 1161 HZ1 LYS 48 HZ1 LYS 48 20.587 0.798 16.536 1162 HZ2 LYS 48 HZ2 LYS 48 21.353 2.212 16.909 1163 HZ3 LYS 48 HZ3 LYS 48 19.757 2.021 17.273 1164 H GLU 49 H GLU 49 23.285 4.033 11.873 1165 HA GLU 49 HA GLU 49 24.641 4.075 10.053 1166 HB2 GLU 49 HB1 GLU 49 22.103 3.781 9.234 1167 HB3 GLU 49 HB2 GLU 49 22.525 5.255 8.329 1168 HG2 GLU 49 HG1 GLU 49 24.628 3.255 8.085 1169 HG3 GLU 49 HG2 GLU 49 23.057 2.584 7.597 1170 H SER 50 H SER 50 24.682 6.016 7.785 1171 HA SER 50 HA SER 50 24.867 8.642 9.116 1172 HB2 SER 50 HB1 SER 50 27.016 9.140 8.063 1173 HB3 SER 50 HB2 SER 50 27.142 7.708 9.114 1174 HG SER 50 HG SER 50 28.170 7.412 7.079 1175 H SER 51 H SER 51 24.136 6.812 6.210 1176 HA SER 51 HA SER 51 24.062 8.724 4.198 1177 HB2 SER 51 HB1 SER 51 22.263 7.323 3.225 1178 HB3 SER 51 HB2 SER 51 23.587 6.335 3.887 1179 HG SER 51 HG SER 51 21.505 5.523 4.446 1180 H ILE 52 H ILE 52 21.740 8.332 6.849 1181 HA ILE 52 HA ILE 52 19.721 10.084 6.154 1182 HB ILE 52 HB ILE 52 19.520 8.805 8.080 1183 HG12 ILE 52 HG13 ILE 52 18.613 11.221 8.104 1184 HG13 ILE 52 HG12 ILE 52 18.517 10.197 9.557 1185 HG21 ILE 52 HG21 ILE 52 20.898 8.933 10.114 1186 HG22 ILE 52 HG22 ILE 52 21.853 8.491 8.685 1187 HG23 ILE 52 HG23 ILE 52 21.926 10.149 9.327 1188 HD11 ILE 52 HD11 ILE 52 19.083 12.535 10.151 1189 HD12 ILE 52 HD12 ILE 52 20.404 11.423 10.546 1190 HD13 ILE 52 HD13 ILE 52 20.502 12.446 9.093 1191 H ASP 53 H ASP 53 23.024 11.019 7.150 1192 HA ASP 53 HA ASP 53 22.301 13.730 7.707 1193 HB2 ASP 53 HB1 ASP 53 24.321 12.559 8.583 1194 HB3 ASP 53 HB2 ASP 53 25.028 12.642 6.955 1195 H ASP 54 H ASP 54 23.405 12.124 4.639 1196 HA ASP 54 HA ASP 54 23.245 14.650 3.213 1197 HB2 ASP 54 HB1 ASP 54 24.692 12.688 2.511 1198 HB3 ASP 54 HB2 ASP 54 23.203 11.906 1.941 1199 H LEU 55 H LEU 55 20.900 11.966 3.820 1200 HA LEU 55 HA LEU 55 18.832 13.000 2.173 1201 HB2 LEU 55 HB1 LEU 55 18.535 11.730 4.907 1202 HB3 LEU 55 HB2 LEU 55 17.249 11.941 3.693 1203 HG LEU 55 HG LEU 55 19.707 10.188 3.399 1204 HD11 LEU 55 HD11 LEU 55 18.089 8.322 3.619 1205 HD12 LEU 55 HD12 LEU 55 18.082 9.357 5.066 1206 HD13 LEU 55 HD13 LEU 55 16.774 9.495 3.866 1207 HD21 LEU 55 HD21 LEU 55 18.609 9.295 1.371 1208 HD22 LEU 55 HD22 LEU 55 17.292 10.469 1.572 1209 HD23 LEU 55 HD23 LEU 55 18.943 11.033 1.217 1210 H MET 56 H MET 56 19.786 13.929 5.555 1211 HA MET 56 HA MET 56 17.933 16.055 5.801 1212 HB2 MET 56 HB1 MET 56 20.658 15.610 7.042 1213 HB3 MET 56 HB2 MET 56 19.580 16.955 7.485 1214 HG2 MET 56 HG1 MET 56 18.779 14.032 7.593 1215 HG3 MET 56 HG2 MET 56 19.447 14.917 8.974 1216 HE1 MET 56 HE1 MET 56 16.295 15.436 10.710 1217 HE2 MET 56 HE2 MET 56 17.406 14.086 10.367 1218 HE3 MET 56 HE3 MET 56 18.056 15.700 10.740 1219 H LYS 57 H LYS 57 21.242 16.055 4.286 1220 HA LYS 57 HA LYS 57 21.050 18.880 3.729 1221 HB2 LYS 57 HB1 LYS 57 22.875 16.905 2.365 1222 HB3 LYS 57 HB2 LYS 57 23.031 18.677 2.405 1223 HG2 LYS 57 HG1 LYS 57 23.711 16.635 4.463 1224 HG3 LYS 57 HG2 LYS 57 24.608 18.077 3.929 1225 HD2 LYS 57 HD1 LYS 57 23.606 19.445 5.456 1226 HD3 LYS 57 HD2 LYS 57 22.071 18.544 5.426 1227 HE2 LYS 57 HE1 LYS 57 23.327 18.425 7.598 1228 HE3 LYS 57 HE2 LYS 57 22.933 16.853 6.872 1229 HZ1 LYS 57 HZ1 LYS 57 25.157 16.909 7.715 1230 HZ2 LYS 57 HZ2 LYS 57 25.170 16.729 6.077 1231 HZ3 LYS 57 HZ3 LYS 57 25.538 18.190 6.751 1232 H SER 58 H SER 58 19.667 16.158 2.163 1233 HA SER 58 HA SER 58 19.224 17.336 -0.407 1234 HB2 SER 58 HB1 SER 58 17.886 15.540 -0.897 1235 HB3 SER 58 HB2 SER 58 18.897 14.862 0.404 1236 HG SER 58 HG SER 58 16.665 14.410 0.682 1237 H LEU 59 H LEU 59 17.771 17.897 2.721 1238 HA LEU 59 HA LEU 59 15.323 19.153 1.720 1239 HB2 LEU 59 HB1 LEU 59 16.670 19.231 4.454 1240 HB3 LEU 59 HB2 LEU 59 14.991 19.691 4.089 1241 HG LEU 59 HG LEU 59 16.135 16.887 3.831 1242 HD11 LEU 59 HD11 LEU 59 14.789 16.372 5.847 1243 HD12 LEU 59 HD12 LEU 59 16.007 17.623 6.186 1244 HD13 LEU 59 HD13 LEU 59 14.302 18.080 5.954 1245 HD21 LEU 59 HD21 LEU 59 13.777 16.191 3.573 1246 HD22 LEU 59 HD22 LEU 59 13.269 17.894 3.649 1247 HD23 LEU 59 HD23 LEU 59 14.262 17.319 2.287 1248 H ASP 60 H ASP 60 18.359 20.038 3.158 1249 HA ASP 60 HA ASP 60 18.306 22.848 3.099 1250 HB2 ASP 60 HB1 ASP 60 20.536 20.782 3.129 1251 HB3 ASP 60 HB2 ASP 60 20.739 22.500 3.533 1252 H LYS 61 H LYS 61 18.679 20.727 0.339 1253 HA LYS 61 HA LYS 61 20.275 22.378 -1.324 1254 HB2 LYS 61 HB1 LYS 61 17.809 20.791 -2.097 1255 HB3 LYS 61 HB2 LYS 61 19.076 21.382 -3.200 1256 HG2 LYS 61 HG1 LYS 61 19.706 19.387 -1.053 1257 HG3 LYS 61 HG2 LYS 61 18.961 18.886 -2.591 1258 HD2 LYS 61 HD1 LYS 61 21.240 18.529 -2.927 1259 HD3 LYS 61 HD2 LYS 61 20.932 20.093 -3.721 1260 HE2 LYS 61 HE1 LYS 61 22.955 20.395 -2.555 1261 HE3 LYS 61 HE2 LYS 61 21.726 21.175 -1.538 1262 HZ1 LYS 61 HZ1 LYS 61 23.221 19.826 -0.250 1263 HZ2 LYS 61 HZ2 LYS 61 21.694 19.206 -0.179 1264 HZ3 LYS 61 HZ3 LYS 61 22.836 18.483 -1.124 1265 H ASN 62 H ASN 62 16.957 22.801 -0.198 1266 HA ASN 62 HA ASN 62 16.766 25.399 -1.612 1267 HB2 ASN 62 HB1 ASN 62 14.589 23.264 -1.608 1268 HB3 ASN 62 HB2 ASN 62 14.462 24.888 -2.318 1269 HD21 ASN 62 HD21 ASN 62 16.063 25.408 -4.082 1270 HD22 ASN 62 HD22 ASN 62 16.565 24.109 -5.151 1271 H SER 63 H SER 63 15.477 23.203 0.843 1272 HA SER 63 HA SER 63 15.225 23.420 3.019 1273 HB2 SER 63 HB1 SER 63 17.170 24.846 3.058 1274 HB3 SER 63 HB2 SER 63 16.192 26.266 2.613 1275 HG SER 63 HG SER 63 16.567 26.115 4.866 1276 H ASP 64 H ASP 64 13.761 26.284 1.402 1277 HA ASP 64 HA ASP 64 11.794 26.380 3.649 1278 HB2 ASP 64 HB1 ASP 64 13.133 28.661 2.150 1279 HB3 ASP 64 HB2 ASP 64 11.909 28.839 3.427 1280 H GLN 65 H GLN 65 12.224 26.172 0.220 1281 HA GLN 65 HA GLN 65 9.542 26.182 -0.584 1282 HB2 GLN 65 HB1 GLN 65 11.999 24.500 -1.056 1283 HB3 GLN 65 HB2 GLN 65 10.439 23.906 -1.677 1284 HG2 GLN 65 HG1 GLN 65 10.157 25.862 -3.053 1285 HG3 GLN 65 HG2 GLN 65 11.552 26.664 -2.297 1286 HE21 GLN 65 HE12 GLN 65 11.425 23.224 -3.416 1287 HE22 GLN 65 HE22 GLN 65 12.677 23.423 -4.617 1288 H GLU 66 H GLU 66 8.048 24.415 -0.737 1289 HA GLU 66 HA GLU 66 7.680 22.950 1.729 1290 HB2 GLU 66 HB1 GLU 66 6.138 22.996 -0.889 1291 HB3 GLU 66 HB2 GLU 66 5.610 22.149 0.585 1292 HG2 GLU 66 HG1 GLU 66 5.351 24.230 1.774 1293 HG3 GLU 66 HG2 GLU 66 6.120 25.143 0.458 1294 H ILE 67 H ILE 67 7.227 20.770 1.870 1295 HA ILE 67 HA ILE 67 7.896 18.789 -0.237 1296 HB ILE 67 HB ILE 67 8.608 18.966 2.660 1297 HG12 ILE 67 HG13 ILE 67 9.699 17.455 0.268 1298 HG13 ILE 67 HG12 ILE 67 10.133 19.122 0.715 1299 HG21 ILE 67 HG21 ILE 67 8.699 16.533 3.038 1300 HG22 ILE 67 HG22 ILE 67 7.029 17.101 2.833 1301 HG23 ILE 67 HG23 ILE 67 7.860 16.267 1.497 1302 HD11 ILE 67 HD11 ILE 67 11.910 17.538 1.355 1303 HD12 ILE 67 HD12 ILE 67 11.169 18.302 2.774 1304 HD13 ILE 67 HD13 ILE 67 10.736 16.634 2.329 1305 H ASP 68 H ASP 68 6.260 17.254 -0.578 1306 HA ASP 68 HA ASP 68 3.840 17.458 1.115 1307 HB2 ASP 68 HB1 ASP 68 2.535 17.032 -0.658 1308 HB3 ASP 68 HB2 ASP 68 3.932 17.688 -1.540 1309 H PHE 69 H PHE 69 2.601 15.154 0.915 1310 HA PHE 69 HA PHE 69 3.783 13.599 2.902 1311 HB2 PHE 69 HB1 PHE 69 1.341 13.846 1.735 1312 HB3 PHE 69 HB2 PHE 69 1.837 12.268 1.098 1313 HD1 PHE 69 HD2 PHE 69 2.523 10.437 2.787 1314 HD2 PHE 69 HD1 PHE 69 0.576 14.098 3.950 1315 HE1 PHE 69 HE2 PHE 69 1.726 9.346 4.873 1316 HE2 PHE 69 HE1 PHE 69 -0.169 13.024 6.057 1317 HZ PHE 69 HZ PHE 69 0.355 10.639 6.495 1318 H LYS 70 H LYS 70 4.408 13.239 -0.604 1319 HA LYS 70 HA LYS 70 5.180 10.444 -0.371 1320 HB2 LYS 70 HB1 LYS 70 5.562 12.511 -2.542 1321 HB3 LYS 70 HB2 LYS 70 6.205 10.856 -2.658 1322 HG2 LYS 70 HG1 LYS 70 4.201 10.915 -3.931 1323 HG3 LYS 70 HG2 LYS 70 3.829 10.025 -2.434 1324 HD2 LYS 70 HD1 LYS 70 2.428 11.651 -1.649 1325 HD3 LYS 70 HD2 LYS 70 3.373 12.969 -2.382 1326 HE2 LYS 70 HE1 LYS 70 2.461 12.137 -4.639 1327 HE3 LYS 70 HE2 LYS 70 1.301 11.186 -3.683 1328 HZ1 LYS 70 HZ1 LYS 70 0.421 13.334 -4.268 1329 HZ2 LYS 70 HZ2 LYS 70 0.595 13.225 -2.631 1330 HZ3 LYS 70 HZ3 LYS 70 1.671 14.106 -3.517 1331 H GLU 71 H GLU 71 7.035 13.516 -0.898 1332 HA GLU 71 HA GLU 71 9.605 12.336 -0.722 1333 HB2 GLU 71 HB1 GLU 71 8.888 15.115 0.234 1334 HB3 GLU 71 HB2 GLU 71 10.486 14.518 -0.273 1335 HG2 GLU 71 HG1 GLU 71 9.338 14.084 -2.573 1336 HG3 GLU 71 HG2 GLU 71 8.078 15.183 -1.973 1337 H TYR 72 H TYR 72 7.324 13.420 1.777 1338 HA TYR 72 HA TYR 72 8.920 12.926 4.072 1339 HB2 TYR 72 HB1 TYR 72 7.017 14.176 4.417 1340 HB3 TYR 72 HB2 TYR 72 6.012 13.134 3.396 1341 HD1 TYR 72 HD1 TYR 72 7.988 12.819 6.608 1342 HD2 TYR 72 HD2 TYR 72 4.369 11.918 4.454 1343 HE1 TYR 72 HE1 TYR 72 7.015 11.813 8.654 1344 HE2 TYR 72 HE2 TYR 72 3.408 10.878 6.492 1345 HH TYR 72 HH TYR 72 3.714 10.394 8.700 1346 H SER 73 H SER 73 6.570 10.664 2.444 1347 HA SER 73 HA SER 73 7.083 8.608 4.376 1348 HB2 SER 73 HB1 SER 73 5.687 7.204 2.954 1349 HB3 SER 73 HB2 SER 73 4.957 8.805 3.217 1350 HG SER 73 HG SER 73 4.821 8.113 1.038 1351 H VAL 74 H VAL 74 8.520 9.220 1.117 1352 HA VAL 74 HA VAL 74 10.057 6.817 1.181 1353 HB VAL 74 HB VAL 74 11.562 7.744 -0.425 1354 HG11 VAL 74 HG11 VAL 74 9.972 8.062 -2.277 1355 HG12 VAL 74 HG12 VAL 74 9.458 6.770 -1.173 1356 HG13 VAL 74 HG13 VAL 74 8.678 8.369 -1.101 1357 HG21 VAL 74 HG21 VAL 74 11.336 9.965 -1.451 1358 HG22 VAL 74 HG22 VAL 74 10.100 10.378 -0.249 1359 HG23 VAL 74 HG23 VAL 74 11.773 10.059 0.264 1360 H PHE 75 H PHE 75 10.717 10.074 2.597 1361 HA PHE 75 HA PHE 75 13.457 9.596 3.232 1362 HB2 PHE 75 HB1 PHE 75 11.922 11.721 3.257 1363 HB3 PHE 75 HB2 PHE 75 11.587 11.237 4.929 1364 HD1 PHE 75 HD2 PHE 75 13.775 10.842 6.438 1365 HD2 PHE 75 HD1 PHE 75 13.651 13.149 2.807 1366 HE1 PHE 75 HE2 PHE 75 15.616 12.280 7.284 1367 HE2 PHE 75 HE1 PHE 75 15.554 14.517 3.611 1368 HZ PHE 75 HZ PHE 75 16.530 14.106 5.857 1369 H LEU 76 H LEU 76 10.479 9.146 5.242 1370 HA LEU 76 HA LEU 76 11.728 7.886 7.445 1371 HB2 LEU 76 HB1 LEU 76 8.962 7.763 6.230 1372 HB3 LEU 76 HB2 LEU 76 9.386 6.837 7.689 1373 HG LEU 76 HG LEU 76 9.522 9.869 7.418 1374 HD11 LEU 76 HD11 LEU 76 7.542 9.766 8.897 1375 HD12 LEU 76 HD12 LEU 76 7.237 8.913 7.361 1376 HD13 LEU 76 HD13 LEU 76 7.584 7.984 8.839 1377 HD21 LEU 76 HD21 LEU 76 9.898 9.825 9.866 1378 HD22 LEU 76 HD22 LEU 76 9.936 8.047 9.831 1379 HD23 LEU 76 HD23 LEU 76 11.205 8.980 9.002 1380 H THR 77 H THR 77 10.299 6.417 4.465 1381 HA THR 77 HA THR 77 10.740 3.715 5.232 1382 HB THR 77 HB THR 77 10.496 4.988 2.486 1383 HG1 THR 77 HG1 THR 77 8.364 4.182 2.790 1384 HG21 THR 77 HG21 THR 77 9.874 2.703 1.744 1385 HG22 THR 77 HG22 THR 77 11.542 2.739 2.361 1386 HG23 THR 77 HG23 THR 77 10.233 2.079 3.371 1387 H MET 78 H MET 78 12.775 5.941 3.335 1388 HA MET 78 HA MET 78 15.035 4.331 2.889 1389 HB2 MET 78 HB1 MET 78 14.394 6.678 2.028 1390 HB3 MET 78 HB2 MET 78 15.088 7.289 3.548 1391 HG2 MET 78 HG1 MET 78 16.909 7.494 2.203 1392 HG3 MET 78 HG2 MET 78 17.164 5.839 2.780 1393 HE1 MET 78 HE1 MET 78 16.111 7.323 -1.407 1394 HE2 MET 78 HE2 MET 78 15.181 7.832 0.025 1395 HE3 MET 78 HE3 MET 78 16.919 8.200 -0.083 1396 H LEU 79 H LEU 79 14.238 6.410 5.758 1397 HA LEU 79 HA LEU 79 16.643 5.855 7.161 1398 HB2 LEU 79 HB1 LEU 79 14.171 7.263 7.647 1399 HB3 LEU 79 HB2 LEU 79 14.616 6.305 9.079 1400 HG LEU 79 HG LEU 79 15.489 8.572 9.219 1401 HD11 LEU 79 HD11 LEU 79 17.864 8.078 9.695 1402 HD12 LEU 79 HD12 LEU 79 16.794 6.789 10.288 1403 HD13 LEU 79 HD13 LEU 79 17.723 6.556 8.788 1404 HD21 LEU 79 HD21 LEU 79 17.199 9.408 7.650 1405 HD22 LEU 79 HD22 LEU 79 17.032 7.925 6.685 1406 HD23 LEU 79 HD23 LEU 79 15.666 9.057 6.823 1407 H CYS 80 H CYS 80 13.421 4.211 7.402 1408 HA CYS 80 HA CYS 80 14.158 2.312 9.363 1409 HB2 CYS 80 HB1 CYS 80 11.857 2.768 8.638 1410 HB3 CYS 80 HB2 CYS 80 12.215 2.103 7.025 1411 HG CYS 80 HG CYS 80 10.789 0.386 8.397 1412 H MET 81 H MET 81 14.469 2.136 5.819 1413 HA MET 81 HA MET 81 15.598 -0.465 5.611 1414 HB2 MET 81 HB1 MET 81 14.486 0.754 3.813 1415 HB3 MET 81 HB2 MET 81 15.764 1.992 3.840 1416 HG2 MET 81 HG1 MET 81 17.244 -0.260 3.431 1417 HG3 MET 81 HG2 MET 81 15.738 -0.701 2.608 1418 HE1 MET 81 HE1 MET 81 18.359 2.968 1.684 1419 HE2 MET 81 HE2 MET 81 17.373 2.800 3.160 1420 HE3 MET 81 HE3 MET 81 18.744 1.699 2.876 1421 H ALA 82 H ALA 82 17.060 2.698 6.307 1422 HA ALA 82 HA ALA 82 19.769 1.804 5.894 1423 HB1 ALA 82 HB1 ALA 82 20.338 4.062 6.714 1424 HB2 ALA 82 HB2 ALA 82 19.048 4.117 5.490 1425 HB3 ALA 82 HB3 ALA 82 18.648 4.305 7.215 1426 H TYR 83 H TYR 83 17.724 0.972 8.507 1427 HA TYR 83 HA TYR 83 20.131 0.290 9.986 1428 HB2 TYR 83 HB1 TYR 83 19.660 1.386 12.029 1429 HB3 TYR 83 HB2 TYR 83 19.665 2.571 10.712 1430 HD1 TYR 83 HD2 TYR 83 17.396 0.636 12.979 1431 HD2 TYR 83 HD1 TYR 83 17.890 4.108 10.475 1432 HE1 TYR 83 HE2 TYR 83 15.341 1.623 13.956 1433 HE2 TYR 83 HE1 TYR 83 15.826 5.099 11.448 1434 HH TYR 83 HH TYR 83 13.964 3.435 14.029 1435 H ASN 84 H ASN 84 17.211 -0.885 9.020 1436 HA ASN 84 HA ASN 84 17.015 -2.618 11.412 1437 HB2 ASN 84 HB1 ASN 84 14.857 -1.866 9.455 1438 HB3 ASN 84 HB2 ASN 84 14.690 -3.146 10.678 1439 HD21 ASN 84 HD21 ASN 84 14.498 0.205 10.038 1440 HD22 ASN 84 HD22 ASN 84 14.273 0.762 11.684 1441 H ASP 85 H ASP 85 19.028 -3.225 9.762 1442 HA ASP 85 HA ASP 85 18.760 -5.513 8.199 1443 HB2 ASP 85 HB1 ASP 85 20.771 -5.238 10.454 1444 HB3 ASP 85 HB2 ASP 85 20.996 -5.974 8.853 1445 H PHE 86 H PHE 86 17.929 -5.112 11.568 1446 HA PHE 86 HA PHE 86 17.938 -7.706 12.586 1447 HB2 PHE 86 HB1 PHE 86 15.845 -5.548 13.025 1448 HB3 PHE 86 HB2 PHE 86 16.240 -6.881 14.123 1449 HD1 PHE 86 HD1 PHE 86 18.822 -6.962 14.869 1450 HD2 PHE 86 HD2 PHE 86 16.735 -3.454 13.492 1451 HE1 PHE 86 HE1 PHE 86 20.528 -5.518 15.954 1452 HE2 PHE 86 HE2 PHE 86 18.459 -2.013 14.548 1453 HZ PHE 86 HZ PHE 86 20.360 -3.043 15.776 1454 H PHE 87 H PHE 87 15.620 -6.346 10.192 1455 HA PHE 87 HA PHE 87 14.252 -8.954 10.285 1456 HB2 PHE 87 HB1 PHE 87 12.430 -8.047 9.098 1457 HB3 PHE 87 HB2 PHE 87 12.824 -7.005 10.474 1458 HD1 PHE 87 HD1 PHE 87 13.220 -7.264 6.745 1459 HD2 PHE 87 HD2 PHE 87 12.969 -4.701 10.195 1460 HE1 PHE 87 HE1 PHE 87 13.061 -5.276 5.263 1461 HE2 PHE 87 HE2 PHE 87 12.747 -2.724 8.709 1462 HZ PHE 87 HZ PHE 87 12.814 -3.009 6.242 1463 H LEU 88 H LEU 88 16.911 -7.856 8.697 1464 HA LEU 88 HA LEU 88 16.247 -9.003 6.100 1465 HB2 LEU 88 HB1 LEU 88 18.473 -7.341 7.195 1466 HB3 LEU 88 HB2 LEU 88 18.817 -8.357 5.775 1467 HG LEU 88 HG LEU 88 16.505 -7.432 4.976 1468 HD11 LEU 88 HD11 LEU 88 16.019 -5.089 5.463 1469 HD12 LEU 88 HD12 LEU 88 15.888 -6.127 6.893 1470 HD13 LEU 88 HD13 LEU 88 17.315 -5.088 6.670 1471 HD21 LEU 88 HD21 LEU 88 17.586 -5.712 3.624 1472 HD22 LEU 88 HD22 LEU 88 18.994 -5.768 4.703 1473 HD23 LEU 88 HD23 LEU 88 18.550 -7.198 3.738 1474 H GLU 89 H GLU 89 18.961 -10.059 5.616 1475 HA GLU 89 HA GLU 89 18.523 -12.745 6.785 1476 HB2 GLU 89 HB1 GLU 89 18.405 -11.986 3.838 1477 HB3 GLU 89 HB2 GLU 89 18.497 -13.659 4.439 1478 HG2 GLU 89 HG1 GLU 89 16.337 -13.387 5.580 1479 HG3 GLU 89 HG2 GLU 89 16.251 -11.694 5.046 1480 H ASP 90 H ASP 90 20.704 -10.383 5.480 1481 HA ASP 90 HA ASP 90 22.949 -10.334 5.175 1482 HB2 ASP 90 HB1 ASP 90 22.693 -11.310 7.538 1483 HB3 ASP 90 HB2 ASP 90 23.234 -12.839 6.811 1484 H ASN 91 H ASN 91 21.381 -11.668 3.205 1485 HA ASN 91 HA ASN 91 23.375 -13.184 1.714 1486 HB2 ASN 91 HB1 ASN 91 21.429 -14.527 3.318 1487 HB3 ASN 91 HB2 ASN 91 20.995 -14.782 1.614 1488 HD21 ASN 91 HD21 ASN 91 24.083 -14.624 3.492 1489 HD22 ASN 91 HD22 ASN 91 24.742 -16.110 2.830 1490 H LYS 92 H LYS 92 21.310 -10.778 1.712 1491 HA LYS 92 HA LYS 92 21.080 -10.723 -1.244 1492 HB2 LYS 92 HB1 LYS 92 18.928 -10.051 0.787 1493 HB3 LYS 92 HB2 LYS 92 18.970 -9.291 -0.822 1494 HG2 LYS 92 HG1 LYS 92 17.852 -11.021 -1.666 1495 HG3 LYS 92 HG2 LYS 92 19.180 -12.111 -1.196 1496 HD2 LYS 92 HD1 LYS 92 18.166 -12.562 0.940 1497 HD3 LYS 92 HD2 LYS 92 16.967 -11.265 0.714 1498 HE2 LYS 92 HE1 LYS 92 16.028 -12.495 -1.236 1499 HE3 LYS 92 HE2 LYS 92 17.201 -13.801 -0.966 1500 HZ1 LYS 92 HZ1 LYS 92 15.083 -14.292 0.021 1501 HZ2 LYS 92 HZ2 LYS 92 16.232 -14.139 1.195 1502 HZ3 LYS 92 HZ3 LYS 92 15.142 -12.926 0.944 Start of MODEL 18 1 HA MET 1 HA MET 1 11.446 6.230 23.452 2 HB2 MET 1 HB1 MET 1 11.477 8.474 21.483 3 HB3 MET 1 HB2 MET 1 9.959 7.552 21.597 4 HG2 MET 1 HG1 MET 1 10.112 9.547 23.130 5 HG3 MET 1 HG2 MET 1 9.747 8.007 23.926 6 HE1 MET 1 HE1 MET 1 12.196 10.728 25.993 7 HE2 MET 1 HE2 MET 1 11.369 11.171 24.482 8 HE3 MET 1 HE3 MET 1 10.480 10.319 25.766 9 H GLU 2 H GLU 2 10.059 4.415 22.741 10 HA GLU 2 HA GLU 2 9.990 3.690 19.924 11 HB2 GLU 2 HB1 GLU 2 9.006 2.094 21.339 12 HB3 GLU 2 HB2 GLU 2 8.149 3.328 22.294 13 HG2 GLU 2 HG1 GLU 2 6.472 3.598 20.670 14 HG3 GLU 2 HG2 GLU 2 7.458 2.863 19.388 15 H THR 3 H THR 3 9.028 4.861 18.261 16 HA THR 3 HA THR 3 7.392 7.219 19.061 17 HB THR 3 HB THR 3 8.426 8.558 17.696 18 HG1 THR 3 HG1 THR 3 8.877 8.078 15.516 19 HG21 THR 3 HG21 THR 3 10.735 8.081 16.973 20 HG22 THR 3 HG22 THR 3 10.425 7.515 18.625 21 HG23 THR 3 HG23 THR 3 10.459 6.355 17.276 22 HA PRO 4 HA PRO 4 4.157 5.005 17.081 23 HB2 PRO 4 HB1 PRO 4 2.307 6.926 16.518 24 HB3 PRO 4 HB2 PRO 4 2.707 6.443 18.199 25 HG2 PRO 4 HG1 PRO 4 3.805 8.799 16.646 26 HG3 PRO 4 HG2 PRO 4 3.104 8.809 18.297 27 HD2 PRO 4 HD1 PRO 4 5.806 8.671 17.859 28 HD3 PRO 4 HD2 PRO 4 5.038 7.770 19.200 29 H LEU 5 H LEU 5 5.744 7.765 15.376 30 HA LEU 5 HA LEU 5 4.714 6.926 12.813 31 HB2 LEU 5 HB1 LEU 5 5.497 9.240 13.385 32 HB3 LEU 5 HB2 LEU 5 7.163 8.618 13.318 33 HG LEU 5 HG LEU 5 5.512 7.887 10.985 34 HD11 LEU 5 HD11 LEU 5 5.559 10.122 9.931 35 HD12 LEU 5 HD12 LEU 5 4.566 10.119 11.406 36 HD13 LEU 5 HD13 LEU 5 6.205 10.814 11.438 37 HD21 LEU 5 HD21 LEU 5 7.520 8.598 9.735 38 HD22 LEU 5 HD22 LEU 5 8.212 9.259 11.232 39 HD23 LEU 5 HD23 LEU 5 7.940 7.508 11.074 40 H GLU 6 H GLU 6 7.882 6.157 14.541 41 HA GLU 6 HA GLU 6 8.574 4.362 12.425 42 HB2 GLU 6 HB1 GLU 6 10.116 3.278 13.892 43 HB3 GLU 6 HB2 GLU 6 10.261 5.051 13.922 44 HG2 GLU 6 HG1 GLU 6 10.699 4.376 16.073 45 HG3 GLU 6 HG2 GLU 6 9.025 4.968 16.115 46 H LYS 7 H LYS 7 6.274 4.023 15.085 47 HA LYS 7 HA LYS 7 5.873 1.213 14.716 48 HB2 LYS 7 HB1 LYS 7 4.154 3.398 15.888 49 HB3 LYS 7 HB2 LYS 7 3.641 1.694 15.815 50 HG2 LYS 7 HG1 LYS 7 6.258 2.550 17.096 51 HG3 LYS 7 HG2 LYS 7 4.728 2.476 18.004 52 HD2 LYS 7 HD1 LYS 7 5.290 0.339 18.390 53 HD3 LYS 7 HD2 LYS 7 4.710 0.066 16.729 54 HE2 LYS 7 HE1 LYS 7 6.777 -1.090 16.964 55 HE3 LYS 7 HE2 LYS 7 7.083 0.333 15.945 56 HZ1 LYS 7 HZ1 LYS 7 8.790 0.023 17.572 57 HZ2 LYS 7 HZ2 LYS 7 7.982 1.429 17.857 58 HZ3 LYS 7 HZ3 LYS 7 7.699 0.108 18.803 59 H ALA 8 H ALA 8 4.566 4.069 13.037 60 HA ALA 8 HA ALA 8 2.653 2.735 11.427 61 HB1 ALA 8 HB1 ALA 8 2.869 4.708 9.963 62 HB2 ALA 8 HB2 ALA 8 2.780 5.177 11.677 63 HB3 ALA 8 HB3 ALA 8 4.346 5.187 10.831 64 H LEU 9 H LEU 9 6.168 3.435 10.758 65 HA LEU 9 HA LEU 9 6.302 1.917 8.365 66 HB2 LEU 9 HB1 LEU 9 8.328 2.645 10.471 67 HB3 LEU 9 HB2 LEU 9 8.754 1.546 9.137 68 HG LEU 9 HG LEU 9 9.554 3.711 8.626 69 HD11 LEU 9 HD11 LEU 9 8.452 4.208 6.472 70 HD12 LEU 9 HD12 LEU 9 8.656 2.461 6.721 71 HD13 LEU 9 HD13 LEU 9 7.063 3.217 6.963 72 HD21 LEU 9 HD21 LEU 9 8.150 5.726 8.434 73 HD22 LEU 9 HD22 LEU 9 6.747 4.792 8.997 74 HD23 LEU 9 HD23 LEU 9 8.133 5.064 10.082 75 H THR 10 H THR 10 6.644 0.901 11.810 76 HA THR 10 HA THR 10 7.314 -1.801 11.372 77 HB THR 10 HB THR 10 5.738 -0.610 13.677 78 HG1 THR 10 HG1 THR 10 7.860 -0.571 14.594 79 HG21 THR 10 HG21 THR 10 6.663 -2.553 14.929 80 HG22 THR 10 HG22 THR 10 5.648 -3.098 13.575 81 HG23 THR 10 HG23 THR 10 7.422 -3.150 13.435 82 H THR 11 H THR 11 4.035 -0.284 11.586 83 HA THR 11 HA THR 11 2.610 -2.699 11.092 84 HB THR 11 HB THR 11 0.877 -0.936 10.093 85 HG1 THR 11 HG1 THR 11 1.166 1.031 11.226 86 HG21 THR 11 HG21 THR 11 0.040 -0.601 12.405 87 HG22 THR 11 HG22 THR 11 0.577 -2.275 12.153 88 HG23 THR 11 HG23 THR 11 1.611 -1.132 13.044 89 H MET 12 H MET 12 3.937 -0.253 8.769 90 HA MET 12 HA MET 12 2.869 -1.457 6.437 91 HB2 MET 12 HB1 MET 12 5.481 0.030 6.806 92 HB3 MET 12 HB2 MET 12 4.827 -0.477 5.230 93 HG2 MET 12 HG1 MET 12 2.858 0.981 5.622 94 HG3 MET 12 HG2 MET 12 3.596 1.534 7.133 95 HE1 MET 12 HE1 MET 12 3.948 4.467 4.303 96 HE2 MET 12 HE2 MET 12 2.706 3.198 4.279 97 HE3 MET 12 HE3 MET 12 3.109 4.022 5.804 98 H VAL 13 H VAL 13 6.124 -2.036 7.988 99 HA VAL 13 HA VAL 13 6.825 -4.097 6.149 100 HB VAL 13 HB VAL 13 8.535 -4.855 7.748 101 HG11 VAL 13 HG11 VAL 13 9.920 -2.811 7.729 102 HG12 VAL 13 HG12 VAL 13 9.051 -3.026 6.196 103 HG13 VAL 13 HG13 VAL 13 8.472 -1.840 7.392 104 HG21 VAL 13 HG21 VAL 13 8.950 -3.629 9.846 105 HG22 VAL 13 HG22 VAL 13 7.471 -2.683 9.576 106 HG23 VAL 13 HG23 VAL 13 7.370 -4.437 9.861 107 H THR 14 H THR 14 5.023 -4.243 9.243 108 HA THR 14 HA THR 14 5.115 -7.096 9.497 109 HB THR 14 HB THR 14 3.148 -5.081 10.620 110 HG1 THR 14 HG1 THR 14 4.522 -5.405 12.436 111 HG21 THR 14 HG21 THR 14 2.658 -6.798 12.344 112 HG22 THR 14 HG22 THR 14 2.201 -7.367 10.724 113 HG23 THR 14 HG23 THR 14 3.703 -7.949 11.483 114 H THR 15 H THR 15 2.783 -4.892 7.910 115 HA THR 15 HA THR 15 1.012 -7.011 7.110 116 HB THR 15 HB THR 15 0.212 -5.208 5.423 117 HG1 THR 15 HG1 THR 15 0.671 -3.103 6.180 118 HG21 THR 15 HG21 THR 15 -1.132 -4.193 7.230 119 HG22 THR 15 HG22 THR 15 -0.970 -5.951 7.452 120 HG23 THR 15 HG23 THR 15 0.009 -4.835 8.434 121 H PHE 16 H PHE 16 3.678 -5.287 5.438 122 HA PHE 16 HA PHE 16 3.444 -6.644 2.949 123 HB2 PHE 16 HB1 PHE 16 4.689 -4.547 3.480 124 HB3 PHE 16 HB2 PHE 16 5.889 -5.517 4.350 125 HD1 PHE 16 HD2 PHE 16 7.319 -7.155 3.067 126 HD2 PHE 16 HD1 PHE 16 4.775 -4.300 1.092 127 HE1 PHE 16 HE2 PHE 16 8.703 -7.333 1.015 128 HE2 PHE 16 HE1 PHE 16 6.259 -4.357 -0.898 129 HZ PHE 16 HZ PHE 16 8.248 -5.843 -0.924 130 H HIS 17 H HIS 17 5.263 -7.525 5.915 131 HA HIS 17 HA HIS 17 6.836 -9.614 4.944 132 HB2 HIS 17 HB1 HIS 17 7.116 -8.553 7.109 133 HB3 HIS 17 HB2 HIS 17 5.553 -9.190 7.658 134 HD1 HIS 17 HD1 HIS 17 6.507 -10.628 9.644 135 HD2 HIS 17 HD2 HIS 17 8.234 -11.408 5.895 136 HE1 HIS 17 HE1 HIS 17 7.981 -12.687 9.941 137 HE2 HIS 17 HE2 HIS 17 9.096 -13.153 7.678 138 H LYS 18 H LYS 18 3.406 -9.744 5.921 139 HA LYS 18 HA LYS 18 3.021 -12.532 5.983 140 HB2 LYS 18 HB1 LYS 18 1.243 -10.233 5.099 141 HB3 LYS 18 HB2 LYS 18 0.657 -11.902 5.296 142 HG2 LYS 18 HG1 LYS 18 1.113 -11.834 7.684 143 HG3 LYS 18 HG2 LYS 18 1.882 -10.235 7.533 144 HD2 LYS 18 HD1 LYS 18 -0.189 -9.226 6.801 145 HD3 LYS 18 HD2 LYS 18 -0.976 -10.817 6.662 146 HE2 LYS 18 HE1 LYS 18 -0.799 -11.094 9.126 147 HE3 LYS 18 HE2 LYS 18 -0.074 -9.477 9.241 148 HZ1 LYS 18 HZ1 LYS 18 -2.430 -9.423 9.636 149 HZ2 LYS 18 HZ2 LYS 18 -2.071 -8.581 8.263 150 HZ3 LYS 18 HZ3 LYS 18 -2.746 -10.081 8.156 151 H TYR 19 H TYR 19 3.671 -10.514 3.202 152 HA TYR 19 HA TYR 19 2.583 -12.562 1.337 153 HB2 TYR 19 HB1 TYR 19 2.749 -9.543 1.018 154 HB3 TYR 19 HB2 TYR 19 2.091 -10.676 -0.174 155 HD1 TYR 19 HD2 TYR 19 0.030 -12.093 0.511 156 HD2 TYR 19 HD1 TYR 19 1.333 -8.630 2.700 157 HE1 TYR 19 HE2 TYR 19 -2.116 -12.075 1.763 158 HE2 TYR 19 HE1 TYR 19 -0.795 -8.619 3.970 159 HH TYR 19 HH TYR 19 -3.280 -11.193 3.545 160 H SER 20 H SER 20 5.422 -10.483 2.041 161 HA SER 20 HA SER 20 7.000 -11.577 -0.148 162 HB2 SER 20 HB1 SER 20 8.875 -10.557 1.227 163 HB3 SER 20 HB2 SER 20 7.595 -9.429 0.721 164 HG SER 20 HG SER 20 8.189 -9.168 2.925 165 H GLY 21 H GLY 21 6.948 -12.064 3.402 166 HA2 GLY 21 HA2 GLY 21 8.139 -14.348 2.804 167 H ARG 22 H ARG 22 5.633 -14.274 2.197 168 HA ARG 22 HA ARG 22 4.816 -16.942 2.770 169 HB2 ARG 22 HB1 ARG 22 3.598 -15.046 1.496 170 HB3 ARG 22 HB2 ARG 22 4.535 -15.585 0.082 171 HG2 ARG 22 HG1 ARG 22 3.705 -17.920 0.471 172 HG3 ARG 22 HG2 ARG 22 2.698 -17.309 1.807 173 HD2 ARG 22 HD1 ARG 22 1.344 -17.521 -0.193 174 HD3 ARG 22 HD2 ARG 22 1.544 -15.804 0.211 175 HE ARG 22 HE ARG 22 2.417 -15.500 -1.828 176 HH11 ARG 22 HH12 ARG 22 3.189 -18.912 -1.189 177 HH12 ARG 22 HH11 ARG 22 3.969 -19.084 -2.735 178 HH21 ARG 22 HH22 ARG 22 3.430 -15.796 -3.689 179 HH22 ARG 22 HH21 ARG 22 4.099 -17.354 -4.118 180 H GLU 23 H GLU 23 7.244 -15.599 0.506 181 HA GLU 23 HA GLU 23 8.413 -18.298 0.336 182 HB2 GLU 23 HB1 GLU 23 7.826 -16.561 -2.068 183 HB3 GLU 23 HB2 GLU 23 8.983 -17.913 -2.091 184 HG2 GLU 23 HG1 GLU 23 7.134 -19.418 -1.294 185 HG3 GLU 23 HG2 GLU 23 6.009 -18.054 -1.476 186 H GLY 24 H GLY 24 9.887 -15.665 -1.585 187 HA2 GLY 24 HA2 GLY 24 11.715 -16.132 0.252 188 H SER 25 H SER 25 10.778 -14.030 0.746 189 HA SER 25 HA SER 25 13.229 -12.506 1.208 190 HB2 SER 25 HB1 SER 25 12.665 -11.871 -1.115 191 HB3 SER 25 HB2 SER 25 11.038 -11.379 -0.583 192 HG SER 25 HG SER 25 12.481 -9.600 -0.797 193 H LYS 26 H LYS 26 12.868 -10.715 2.860 194 HA LYS 26 HA LYS 26 10.066 -10.685 3.839 195 HB2 LYS 26 HB1 LYS 26 12.602 -9.571 5.058 196 HB3 LYS 26 HB2 LYS 26 10.975 -9.321 5.735 197 HG2 LYS 26 HG1 LYS 26 10.919 -12.006 5.534 198 HG3 LYS 26 HG2 LYS 26 12.677 -11.786 5.697 199 HD2 LYS 26 HD1 LYS 26 12.213 -10.298 7.687 200 HD3 LYS 26 HD2 LYS 26 10.504 -10.782 7.571 201 HE2 LYS 26 HE1 LYS 26 12.891 -12.466 8.317 202 HE3 LYS 26 HE2 LYS 26 11.448 -12.095 9.284 203 HZ1 LYS 26 HZ1 LYS 26 11.382 -14.311 8.405 204 HZ2 LYS 26 HZ2 LYS 26 10.167 -13.405 7.758 205 HZ3 LYS 26 HZ3 LYS 26 11.508 -13.750 6.861 206 H LEU 27 H LEU 27 12.273 -8.671 1.973 207 HA LEU 27 HA LEU 27 10.618 -6.282 2.610 208 HB2 LEU 27 HB1 LEU 27 13.597 -6.415 2.059 209 HB3 LEU 27 HB2 LEU 27 12.662 -4.940 2.396 210 HG LEU 27 HG LEU 27 13.123 -7.262 4.300 211 HD11 LEU 27 HD11 LEU 27 14.472 -5.628 5.583 212 HD12 LEU 27 HD12 LEU 27 15.110 -5.844 3.937 213 HD13 LEU 27 HD13 LEU 27 14.156 -4.396 4.339 214 HD21 LEU 27 HD21 LEU 27 12.040 -5.875 6.043 215 HD22 LEU 27 HD22 LEU 27 11.675 -4.638 4.823 216 HD23 LEU 27 HD23 LEU 27 10.917 -6.245 4.717 217 H THR 28 H THR 28 11.696 -8.269 0.004 218 HA THR 28 HA THR 28 10.380 -6.358 -1.875 219 HB THR 28 HB THR 28 11.438 -7.592 -3.701 220 HG1 THR 28 HG1 THR 28 13.017 -9.167 -3.163 221 HG21 THR 28 HG21 THR 28 13.810 -6.958 -3.355 222 HG22 THR 28 HG22 THR 28 12.710 -5.687 -2.779 223 HG23 THR 28 HG23 THR 28 13.499 -6.779 -1.616 224 H LEU 29 H LEU 29 8.795 -7.403 -3.410 225 HA LEU 29 HA LEU 29 8.222 -10.229 -3.124 226 HB2 LEU 29 HB1 LEU 29 6.233 -10.266 -2.075 227 HB3 LEU 29 HB2 LEU 29 7.019 -8.921 -1.212 228 HG LEU 29 HG LEU 29 4.775 -8.816 -3.215 229 HD11 LEU 29 HD11 LEU 29 3.575 -7.798 -1.295 230 HD12 LEU 29 HD12 LEU 29 4.241 -9.393 -0.873 231 HD13 LEU 29 HD13 LEU 29 5.056 -7.913 -0.315 232 HD21 LEU 29 HD21 LEU 29 4.675 -6.366 -2.990 233 HD22 LEU 29 HD22 LEU 29 6.172 -6.403 -2.040 234 HD23 LEU 29 HD23 LEU 29 6.188 -6.898 -3.750 235 H SER 30 H SER 30 6.468 -10.959 -4.786 236 HA SER 30 HA SER 30 6.821 -9.345 -7.162 237 HB2 SER 30 HB1 SER 30 6.628 -11.769 -7.395 238 HB3 SER 30 HB2 SER 30 4.949 -11.701 -6.811 239 HG SER 30 HG SER 30 5.093 -11.708 -9.103 240 H ARG 31 H ARG 31 5.462 -8.117 -8.282 241 HA ARG 31 HA ARG 31 3.845 -6.237 -7.081 242 HB2 ARG 31 HB1 ARG 31 5.118 -6.310 -9.236 243 HB3 ARG 31 HB2 ARG 31 3.800 -7.290 -9.920 244 HG2 ARG 31 HG1 ARG 31 2.668 -5.463 -10.501 245 HG3 ARG 31 HG2 ARG 31 2.762 -4.807 -8.849 246 HD2 ARG 31 HD1 ARG 31 5.047 -3.972 -9.301 247 HD3 ARG 31 HD2 ARG 31 4.978 -4.648 -10.943 248 HE ARG 31 HE ARG 31 3.007 -3.053 -11.265 249 HH11 ARG 31 HH12 ARG 31 5.741 -2.221 -9.160 250 HH12 ARG 31 HH11 ARG 31 5.461 -0.508 -9.313 251 HH21 ARG 31 HH22 ARG 31 2.673 -0.844 -11.366 252 HH22 ARG 31 HH21 ARG 31 3.752 0.256 -10.541 253 H LYS 32 H LYS 32 2.650 -9.350 -8.567 254 HA LYS 32 HA LYS 32 -0.101 -8.683 -8.182 255 HB2 LYS 32 HB1 LYS 32 0.487 -10.386 -9.718 256 HB3 LYS 32 HB2 LYS 32 1.305 -11.337 -8.455 257 HG2 LYS 32 HG1 LYS 32 -1.598 -10.784 -8.046 258 HG3 LYS 32 HG2 LYS 32 -1.168 -11.900 -9.366 259 HD2 LYS 32 HD1 LYS 32 -0.670 -13.552 -7.931 260 HD3 LYS 32 HD2 LYS 32 0.336 -12.476 -6.933 261 HE2 LYS 32 HE1 LYS 32 -1.771 -11.625 -5.850 262 HE3 LYS 32 HE2 LYS 32 -2.675 -12.861 -6.751 263 HZ1 LYS 32 HZ1 LYS 32 -2.121 -13.596 -4.548 264 HZ2 LYS 32 HZ2 LYS 32 -1.351 -14.531 -5.667 265 HZ3 LYS 32 HZ3 LYS 32 -0.511 -13.384 -4.829 266 H GLU 33 H GLU 33 2.243 -10.030 -5.860 267 HA GLU 33 HA GLU 33 0.282 -10.721 -3.880 268 HB2 GLU 33 HB1 GLU 33 3.110 -10.912 -4.188 269 HB3 GLU 33 HB2 GLU 33 2.789 -10.061 -2.659 270 HG2 GLU 33 HG1 GLU 33 2.915 -12.340 -2.083 271 HG3 GLU 33 HG2 GLU 33 1.180 -11.959 -2.102 272 H LEU 34 H LEU 34 2.207 -7.683 -4.466 273 HA LEU 34 HA LEU 34 1.067 -6.221 -2.321 274 HB2 LEU 34 HB1 LEU 34 2.940 -5.332 -3.550 275 HB3 LEU 34 HB2 LEU 34 1.999 -5.303 -5.061 276 HG LEU 34 HG LEU 34 0.504 -3.612 -4.116 277 HD11 LEU 34 HD11 LEU 34 0.990 -2.473 -1.975 278 HD12 LEU 34 HD12 LEU 34 0.644 -4.198 -1.735 279 HD13 LEU 34 HD13 LEU 34 2.323 -3.610 -1.683 280 HD21 LEU 34 HD21 LEU 34 2.059 -1.688 -4.054 281 HD22 LEU 34 HD22 LEU 34 3.420 -2.805 -3.818 282 HD23 LEU 34 HD23 LEU 34 2.493 -2.837 -5.337 283 H LYS 35 H LYS 35 -0.165 -6.719 -5.669 284 HA LYS 35 HA LYS 35 -2.514 -5.195 -5.471 285 HB2 LYS 35 HB1 LYS 35 -2.307 -5.772 -7.599 286 HB3 LYS 35 HB2 LYS 35 -1.329 -7.205 -7.201 287 HG2 LYS 35 HG1 LYS 35 -3.519 -8.393 -6.691 288 HG3 LYS 35 HG2 LYS 35 -4.340 -7.001 -7.435 289 HD2 LYS 35 HD1 LYS 35 -2.252 -8.716 -8.815 290 HD3 LYS 35 HD2 LYS 35 -4.011 -8.933 -8.980 291 HE2 LYS 35 HE1 LYS 35 -4.213 -6.730 -10.019 292 HE3 LYS 35 HE2 LYS 35 -2.477 -6.434 -9.784 293 HZ1 LYS 35 HZ1 LYS 35 -2.954 -7.210 -12.001 294 HZ2 LYS 35 HZ2 LYS 35 -2.028 -8.320 -11.204 295 HZ3 LYS 35 HZ3 LYS 35 -3.640 -8.594 -11.422 296 H GLU 36 H GLU 36 -1.873 -8.396 -4.138 297 HA GLU 36 HA GLU 36 -4.621 -8.880 -3.325 298 HB2 GLU 36 HB1 GLU 36 -3.197 -10.719 -3.936 299 HB3 GLU 36 HB2 GLU 36 -1.963 -10.227 -2.751 300 HG2 GLU 36 HG1 GLU 36 -3.367 -10.793 -0.915 301 HG3 GLU 36 HG2 GLU 36 -4.788 -10.974 -1.967 302 H LEU 37 H LEU 37 -1.603 -8.004 -1.583 303 HA LEU 37 HA LEU 37 -2.423 -7.792 1.039 304 HB2 LEU 37 HB1 LEU 37 -0.179 -7.638 0.487 305 HB3 LEU 37 HB2 LEU 37 -0.463 -6.391 -0.754 306 HG LEU 37 HG LEU 37 -0.639 -4.688 0.915 307 HD11 LEU 37 HD11 LEU 37 -0.164 -5.049 3.305 308 HD12 LEU 37 HD12 LEU 37 -1.637 -5.896 2.794 309 HD13 LEU 37 HD13 LEU 37 -0.121 -6.800 3.021 310 HD21 LEU 37 HD21 LEU 37 1.706 -4.755 1.741 311 HD22 LEU 37 HD22 LEU 37 1.770 -6.499 1.402 312 HD23 LEU 37 HD23 LEU 37 1.596 -5.337 0.064 313 H ILE 38 H ILE 38 -2.854 -5.252 -1.477 314 HA ILE 38 HA ILE 38 -3.949 -3.297 0.300 315 HB ILE 38 HB ILE 38 -4.021 -3.590 -2.711 316 HG12 ILE 38 HG13 ILE 38 -2.414 -1.543 -1.182 317 HG13 ILE 38 HG12 ILE 38 -1.824 -3.220 -1.270 318 HG21 ILE 38 HG21 ILE 38 -4.610 -1.177 -2.827 319 HG22 ILE 38 HG22 ILE 38 -5.880 -2.117 -2.013 320 HG23 ILE 38 HG23 ILE 38 -4.746 -1.134 -1.056 321 HD11 ILE 38 HD11 ILE 38 -0.860 -1.841 -3.084 322 HD12 ILE 38 HD12 ILE 38 -1.908 -3.121 -3.738 323 HD13 ILE 38 HD13 ILE 38 -2.497 -1.445 -3.651 324 H LYS 39 H LYS 39 -5.539 -5.951 -1.411 325 HA LYS 39 HA LYS 39 -8.195 -5.065 -0.452 326 HB2 LYS 39 HB1 LYS 39 -7.080 -6.770 -2.615 327 HB3 LYS 39 HB2 LYS 39 -8.620 -7.312 -1.907 328 HG2 LYS 39 HG1 LYS 39 -8.752 -5.855 -3.977 329 HG3 LYS 39 HG2 LYS 39 -9.755 -5.385 -2.585 330 HD2 LYS 39 HD1 LYS 39 -8.131 -3.598 -2.050 331 HD3 LYS 39 HD2 LYS 39 -7.189 -4.048 -3.491 332 HE2 LYS 39 HE1 LYS 39 -10.096 -3.161 -3.580 333 HE3 LYS 39 HE2 LYS 39 -8.720 -2.055 -3.782 334 HZ1 LYS 39 HZ1 LYS 39 -9.606 -2.765 -5.883 335 HZ2 LYS 39 HZ2 LYS 39 -8.066 -3.321 -5.698 336 HZ3 LYS 39 HZ3 LYS 39 -9.342 -4.348 -5.510 337 H LYS 40 H LYS 40 -5.731 -6.653 0.985 338 HA LYS 40 HA LYS 40 -7.407 -8.714 2.335 339 HB2 LYS 40 HB1 LYS 40 -4.487 -8.480 1.579 340 HB3 LYS 40 HB2 LYS 40 -4.960 -9.510 2.952 341 HG2 LYS 40 HG1 LYS 40 -6.325 -9.795 0.269 342 HG3 LYS 40 HG2 LYS 40 -4.763 -10.587 0.587 343 HD2 LYS 40 HD1 LYS 40 -6.961 -10.869 2.619 344 HD3 LYS 40 HD2 LYS 40 -7.065 -11.818 1.116 345 HE2 LYS 40 HE1 LYS 40 -4.534 -11.779 2.783 346 HE3 LYS 40 HE2 LYS 40 -5.873 -12.883 3.169 347 HZ1 LYS 40 HZ1 LYS 40 -4.241 -13.923 1.762 348 HZ2 LYS 40 HZ2 LYS 40 -5.676 -13.790 0.963 349 HZ3 LYS 40 HZ3 LYS 40 -4.434 -12.766 0.604 350 H GLU 41 H GLU 41 -4.660 -6.514 2.964 351 HA GLU 41 HA GLU 41 -5.312 -6.347 5.828 352 HB2 GLU 41 HB1 GLU 41 -3.080 -5.018 4.258 353 HB3 GLU 41 HB2 GLU 41 -3.232 -5.107 6.030 354 HG2 GLU 41 HG1 GLU 41 -2.870 -7.477 4.170 355 HG3 GLU 41 HG2 GLU 41 -1.580 -6.702 5.115 356 H LEU 42 H LEU 42 -6.147 -4.686 2.995 357 HA LEU 42 HA LEU 42 -7.693 -2.758 4.594 358 HB2 LEU 42 HB1 LEU 42 -5.479 -2.026 2.877 359 HB3 LEU 42 HB2 LEU 42 -7.002 -1.449 2.161 360 HG LEU 42 HG LEU 42 -6.103 -0.866 5.003 361 HD11 LEU 42 HD11 LEU 42 -5.576 1.409 4.159 362 HD12 LEU 42 HD12 LEU 42 -4.593 0.174 3.339 363 HD13 LEU 42 HD13 LEU 42 -5.997 0.891 2.511 364 HD21 LEU 42 HD21 LEU 42 -7.877 0.865 4.958 365 HD22 LEU 42 HD22 LEU 42 -8.331 0.353 3.318 366 HD23 LEU 42 HD23 LEU 42 -8.553 -0.758 4.691 367 H CYS 43 H CYS 43 -9.540 -1.940 3.203 368 HA CYS 43 HA CYS 43 -9.602 -2.739 0.437 369 HB2 CYS 43 HB1 CYS 43 -10.695 -4.664 1.878 370 HB3 CYS 43 HB2 CYS 43 -12.107 -3.582 1.826 371 HG CYS 43 HG CYS 43 -12.281 -5.363 -0.088 372 H LEU 44 H LEU 44 -11.679 -1.610 -0.627 373 HA LEU 44 HA LEU 44 -11.823 1.108 0.412 374 HB2 LEU 44 HB1 LEU 44 -9.685 0.218 -1.534 375 HB3 LEU 44 HB2 LEU 44 -10.311 1.884 -1.577 376 HG LEU 44 HG LEU 44 -9.055 0.617 0.876 377 HD11 LEU 44 HD11 LEU 44 -7.021 1.883 0.258 378 HD12 LEU 44 HD12 LEU 44 -7.447 0.693 -0.997 379 HD13 LEU 44 HD13 LEU 44 -7.811 2.417 -1.246 380 HD21 LEU 44 HD21 LEU 44 -8.818 2.955 1.638 381 HD22 LEU 44 HD22 LEU 44 -9.624 3.518 0.156 382 HD23 LEU 44 HD23 LEU 44 -10.522 2.540 1.342 383 H GLY 45 H GLY 45 -11.949 -0.963 -2.503 384 HA2 GLY 45 HA2 GLY 45 -13.723 0.832 -3.333 385 H GLU 46 H GLU 46 -14.986 1.166 -2.303 386 HA GLU 46 HA GLU 46 -17.511 -0.094 -2.373 387 HB2 GLU 46 HB1 GLU 46 -17.440 -1.245 -0.185 388 HB3 GLU 46 HB2 GLU 46 -16.402 -2.018 -1.406 389 HG2 GLU 46 HG1 GLU 46 -14.810 -0.136 0.056 390 HG3 GLU 46 HG2 GLU 46 -15.715 -1.121 1.226 391 H MET 47 H MET 47 -15.069 1.580 -0.337 392 HA MET 47 HA MET 47 -17.004 3.594 0.586 393 HB2 MET 47 HB1 MET 47 -13.983 3.323 0.822 394 HB3 MET 47 HB2 MET 47 -14.950 4.609 1.582 395 HG2 MET 47 HG1 MET 47 -16.224 2.744 2.776 396 HG3 MET 47 HG2 MET 47 -14.957 1.644 2.207 397 HE1 MET 47 HE1 MET 47 -11.757 3.463 3.773 398 HE2 MET 47 HE2 MET 47 -12.308 2.205 2.642 399 HE3 MET 47 HE3 MET 47 -12.554 3.923 2.248 400 H LYS 48 H LYS 48 -14.227 3.310 -1.539 401 HA LYS 48 HA LYS 48 -14.663 5.864 -2.992 402 HB2 LYS 48 HB1 LYS 48 -12.397 3.922 -2.495 403 HB3 LYS 48 HB2 LYS 48 -12.360 4.987 -3.922 404 HG2 LYS 48 HG1 LYS 48 -10.963 5.852 -2.187 405 HG3 LYS 48 HG2 LYS 48 -12.346 6.935 -2.471 406 HD2 LYS 48 HD1 LYS 48 -12.516 4.945 -0.228 407 HD3 LYS 48 HD2 LYS 48 -11.514 6.401 -0.020 408 HE2 LYS 48 HE1 LYS 48 -14.337 6.556 -1.094 409 HE3 LYS 48 HE2 LYS 48 -14.010 6.537 0.653 410 HZ1 LYS 48 HZ1 LYS 48 -14.220 8.766 -0.189 411 HZ2 LYS 48 HZ2 LYS 48 -12.690 8.506 0.361 412 HZ3 LYS 48 HZ3 LYS 48 -12.993 8.524 -1.261 413 H GLU 49 H GLU 49 -14.865 5.773 -5.276 414 HA GLU 49 HA GLU 49 -15.672 3.210 -6.534 415 HB2 GLU 49 HB1 GLU 49 -16.945 5.414 -6.607 416 HB3 GLU 49 HB2 GLU 49 -15.635 6.018 -7.649 417 HG2 GLU 49 HG1 GLU 49 -17.084 3.526 -8.443 418 HG3 GLU 49 HG2 GLU 49 -17.896 5.095 -8.636 419 H SER 50 H SER 50 -14.303 5.076 -8.948 420 HA SER 50 HA SER 50 -11.716 3.826 -8.901 421 HB2 SER 50 HB1 SER 50 -12.974 4.565 -10.947 422 HB3 SER 50 HB2 SER 50 -12.595 6.247 -10.499 423 HG SER 50 HG SER 50 -11.064 5.349 -11.968 424 H SER 51 H SER 51 -9.960 5.755 -9.498 425 HA SER 51 HA SER 51 -8.372 7.112 -8.651 426 HB2 SER 51 HB1 SER 51 -8.475 8.454 -6.846 427 HB3 SER 51 HB2 SER 51 -10.216 8.174 -7.087 428 HG SER 51 HG SER 51 -9.578 7.976 -4.886 429 H ILE 52 H ILE 52 -9.697 4.474 -6.680 430 HA ILE 52 HA ILE 52 -7.041 3.760 -5.683 431 HB ILE 52 HB ILE 52 -8.119 2.151 -4.296 432 HG12 ILE 52 HG13 ILE 52 -10.828 2.331 -4.391 433 HG13 ILE 52 HG12 ILE 52 -10.439 2.393 -6.128 434 HG21 ILE 52 HG21 ILE 52 -9.594 3.661 -2.992 435 HG22 ILE 52 HG22 ILE 52 -8.164 4.521 -3.607 436 HG23 ILE 52 HG23 ILE 52 -9.741 4.728 -4.407 437 HD11 ILE 52 HD11 ILE 52 -10.827 0.063 -5.385 438 HD12 ILE 52 HD12 ILE 52 -9.147 0.299 -5.915 439 HD13 ILE 52 HD13 ILE 52 -9.534 0.236 -4.177 440 H ASP 53 H ASP 53 -9.282 2.532 -8.168 441 HA ASP 53 HA ASP 53 -7.555 0.170 -8.426 442 HB2 ASP 53 HB1 ASP 53 -10.336 0.390 -8.500 443 HB3 ASP 53 HB2 ASP 53 -9.844 -0.017 -10.158 444 H ASP 54 H ASP 54 -7.911 3.179 -10.040 445 HA ASP 54 HA ASP 54 -6.537 2.461 -12.442 446 HB2 ASP 54 HB1 ASP 54 -7.440 4.715 -12.107 447 HB3 ASP 54 HB2 ASP 54 -6.357 4.972 -10.722 448 H LEU 55 H LEU 55 -5.334 3.358 -9.155 449 HA LEU 55 HA LEU 55 -2.580 2.879 -9.708 450 HB2 LEU 55 HB1 LEU 55 -4.100 2.733 -7.090 451 HB3 LEU 55 HB2 LEU 55 -2.330 2.822 -7.269 452 HG LEU 55 HG LEU 55 -4.336 4.956 -8.051 453 HD11 LEU 55 HD11 LEU 55 -3.316 6.242 -6.196 454 HD12 LEU 55 HD12 LEU 55 -4.022 4.716 -5.616 455 HD13 LEU 55 HD13 LEU 55 -2.259 4.861 -5.824 456 HD21 LEU 55 HD21 LEU 55 -2.381 6.402 -8.511 457 HD22 LEU 55 HD22 LEU 55 -1.296 5.032 -8.179 458 HD23 LEU 55 HD23 LEU 55 -2.400 4.979 -9.574 459 H MET 56 H MET 56 -5.185 0.694 -8.441 460 HA MET 56 HA MET 56 -3.568 -1.626 -8.238 461 HB2 MET 56 HB1 MET 56 -6.492 -1.455 -9.012 462 HB3 MET 56 HB2 MET 56 -5.637 -2.920 -8.476 463 HG2 MET 56 HG1 MET 56 -5.405 -0.662 -6.608 464 HG3 MET 56 HG2 MET 56 -7.074 -1.190 -6.875 465 HE1 MET 56 HE1 MET 56 -3.686 -3.850 -5.218 466 HE2 MET 56 HE2 MET 56 -3.764 -3.310 -6.913 467 HE3 MET 56 HE3 MET 56 -3.517 -2.122 -5.610 468 H LYS 57 H LYS 57 -5.319 -0.320 -11.121 469 HA LYS 57 HA LYS 57 -4.473 -2.348 -12.936 470 HB2 LYS 57 HB1 LYS 57 -5.658 0.390 -13.063 471 HB3 LYS 57 HB2 LYS 57 -4.824 -0.174 -14.531 472 HG2 LYS 57 HG1 LYS 57 -6.910 -1.855 -13.093 473 HG3 LYS 57 HG2 LYS 57 -7.327 -0.706 -14.387 474 HD2 LYS 57 HD1 LYS 57 -5.940 -1.856 -15.979 475 HD3 LYS 57 HD2 LYS 57 -5.169 -2.830 -14.704 476 HE2 LYS 57 HE1 LYS 57 -7.430 -3.847 -14.222 477 HE3 LYS 57 HE2 LYS 57 -8.059 -2.992 -15.648 478 HZ1 LYS 57 HZ1 LYS 57 -7.429 -5.239 -16.165 479 HZ2 LYS 57 HZ2 LYS 57 -6.467 -4.178 -16.982 480 HZ3 LYS 57 HZ3 LYS 57 -5.883 -4.972 -15.659 481 H SER 58 H SER 58 -2.960 0.609 -11.857 482 HA SER 58 HA SER 58 -0.698 0.473 -13.598 483 HB2 SER 58 HB1 SER 58 -1.653 2.497 -12.266 484 HB3 SER 58 HB2 SER 58 -0.584 1.906 -10.971 485 HG SER 58 HG SER 58 0.478 3.372 -12.399 486 H LEU 59 H LEU 59 -1.323 -1.059 -10.414 487 HA LEU 59 HA LEU 59 1.277 -2.312 -10.377 488 HB2 LEU 59 HB1 LEU 59 -1.329 -3.224 -9.130 489 HB3 LEU 59 HB2 LEU 59 0.273 -3.943 -8.832 490 HG LEU 59 HG LEU 59 -0.688 -1.180 -8.049 491 HD11 LEU 59 HD11 LEU 59 -0.283 -2.056 -5.771 492 HD12 LEU 59 HD12 LEU 59 -1.445 -3.072 -6.656 493 HD13 LEU 59 HD13 LEU 59 0.240 -3.610 -6.462 494 HD21 LEU 59 HD21 LEU 59 1.528 -0.834 -7.003 495 HD22 LEU 59 HD22 LEU 59 2.089 -2.374 -7.691 496 HD23 LEU 59 HD23 LEU 59 1.665 -1.019 -8.765 497 H ASP 60 H ASP 60 -1.947 -3.397 -11.479 498 HA ASP 60 HA ASP 60 -1.573 -5.958 -12.319 499 HB2 ASP 60 HB1 ASP 60 -3.646 -4.573 -12.334 500 HB3 ASP 60 HB2 ASP 60 -3.059 -3.763 -13.803 501 H LYS 61 H LYS 61 -0.854 -3.088 -14.215 502 HA LYS 61 HA LYS 61 0.277 -3.588 -16.522 503 HB2 LYS 61 HB1 LYS 61 0.317 -1.588 -14.764 504 HB3 LYS 61 HB2 LYS 61 1.977 -2.163 -14.476 505 HG2 LYS 61 HG1 LYS 61 2.241 -0.447 -16.021 506 HG3 LYS 61 HG2 LYS 61 2.295 -1.921 -17.016 507 HD2 LYS 61 HD1 LYS 61 0.983 -0.158 -18.094 508 HD3 LYS 61 HD2 LYS 61 -0.021 -1.573 -17.701 509 HE2 LYS 61 HE1 LYS 61 -1.242 0.498 -17.277 510 HE3 LYS 61 HE2 LYS 61 -0.952 -0.380 -15.760 511 HZ1 LYS 61 HZ1 LYS 61 -0.559 1.969 -15.516 512 HZ2 LYS 61 HZ2 LYS 61 0.844 1.133 -15.302 513 HZ3 LYS 61 HZ3 LYS 61 0.576 1.949 -16.710 514 H ASN 62 H ASN 62 1.879 -4.744 -13.538 515 HA ASN 62 HA ASN 62 3.900 -6.219 -15.069 516 HB2 ASN 62 HB1 ASN 62 4.587 -3.940 -13.186 517 HB3 ASN 62 HB2 ASN 62 5.757 -5.159 -13.738 518 HD21 ASN 62 HD21 ASN 62 5.895 -5.408 -16.198 519 HD22 ASN 62 HD22 ASN 62 5.823 -3.933 -17.144 520 H SER 63 H SER 63 1.772 -7.088 -13.548 521 HA SER 63 HA SER 63 1.840 -7.760 -10.930 522 HB2 SER 63 HB1 SER 63 0.962 -9.422 -13.333 523 HB3 SER 63 HB2 SER 63 0.504 -9.786 -11.652 524 HG SER 63 HG SER 63 -1.105 -8.573 -12.772 525 H ASP 64 H ASP 64 4.392 -8.757 -12.808 526 HA ASP 64 HA ASP 64 4.782 -11.448 -11.597 527 HB2 ASP 64 HB1 ASP 64 6.203 -11.751 -13.650 528 HB3 ASP 64 HB2 ASP 64 4.510 -11.381 -14.047 529 H GLN 65 H GLN 65 6.122 -8.259 -12.221 530 HA GLN 65 HA GLN 65 8.871 -8.778 -11.696 531 HB2 GLN 65 HB1 GLN 65 7.126 -6.290 -11.608 532 HB3 GLN 65 HB2 GLN 65 8.901 -6.262 -11.492 533 HG2 GLN 65 HG1 GLN 65 7.313 -7.296 -13.867 534 HG3 GLN 65 HG2 GLN 65 8.072 -5.694 -13.756 535 HE21 GLN 65 HE12 GLN 65 8.547 -8.866 -14.907 536 HE22 GLN 65 HE22 GLN 65 10.289 -8.821 -15.049 537 H GLU 66 H GLU 66 10.121 -8.570 -9.752 538 HA GLU 66 HA GLU 66 8.637 -8.242 -7.291 539 HB2 GLU 66 HB1 GLU 66 11.572 -8.500 -7.850 540 HB3 GLU 66 HB2 GLU 66 11.001 -7.932 -6.263 541 HG2 GLU 66 HG1 GLU 66 9.475 -10.088 -6.380 542 HG3 GLU 66 HG2 GLU 66 10.690 -10.636 -7.555 543 H ILE 67 H ILE 67 8.466 -6.575 -5.950 544 HA ILE 67 HA ILE 67 9.822 -4.020 -6.621 545 HB ILE 67 HB ILE 67 7.804 -3.022 -5.306 546 HG12 ILE 67 HG13 ILE 67 6.472 -5.508 -6.397 547 HG13 ILE 67 HG12 ILE 67 6.743 -5.127 -4.678 548 HG21 ILE 67 HG21 ILE 67 6.617 -2.566 -7.410 549 HG22 ILE 67 HG22 ILE 67 8.379 -2.455 -7.604 550 HG23 ILE 67 HG23 ILE 67 7.505 -3.890 -8.191 551 HD11 ILE 67 HD11 ILE 67 4.417 -4.621 -5.348 552 HD12 ILE 67 HD12 ILE 67 5.294 -3.146 -4.888 553 HD13 ILE 67 HD13 ILE 67 5.024 -3.526 -6.607 554 H ASP 68 H ASP 68 10.810 -2.984 -5.038 555 HA ASP 68 HA ASP 68 11.259 -4.065 -2.412 556 HB2 ASP 68 HB1 ASP 68 12.937 -2.791 -3.554 557 HB3 ASP 68 HB2 ASP 68 11.817 -1.438 -3.828 558 H PHE 69 H PHE 69 10.650 -3.276 -0.457 559 HA PHE 69 HA PHE 69 8.122 -2.533 0.289 560 HB2 PHE 69 HB1 PHE 69 9.849 -3.437 1.721 561 HB3 PHE 69 HB2 PHE 69 10.869 -2.008 1.479 562 HD1 PHE 69 HD2 PHE 69 7.528 -3.020 2.874 563 HD2 PHE 69 HD1 PHE 69 10.909 -0.371 3.107 564 HE1 PHE 69 HE2 PHE 69 6.519 -1.893 4.842 565 HE2 PHE 69 HE1 PHE 69 9.900 0.757 5.075 566 HZ PHE 69 HZ PHE 69 7.663 0.041 5.901 567 H LYS 70 H LYS 70 10.498 -0.340 -1.077 568 HA LYS 70 HA LYS 70 9.351 2.161 -0.155 569 HB2 LYS 70 HB1 LYS 70 11.707 1.658 -0.827 570 HB3 LYS 70 HB2 LYS 70 11.137 1.412 -2.496 571 HG2 LYS 70 HG1 LYS 70 10.428 3.783 -2.581 572 HG3 LYS 70 HG2 LYS 70 11.066 4.015 -0.935 573 HD2 LYS 70 HD1 LYS 70 12.755 4.773 -2.488 574 HD3 LYS 70 HD2 LYS 70 13.316 3.239 -1.783 575 HE2 LYS 70 HE1 LYS 70 11.781 3.176 -4.367 576 HE3 LYS 70 HE2 LYS 70 13.480 3.699 -4.392 577 HZ1 LYS 70 HZ1 LYS 70 13.264 1.356 -4.806 578 HZ2 LYS 70 HZ2 LYS 70 14.069 1.612 -3.392 579 HZ3 LYS 70 HZ3 LYS 70 12.493 1.127 -3.370 580 H GLU 71 H GLU 71 9.198 0.262 -3.177 581 HA GLU 71 HA GLU 71 7.602 2.010 -4.747 582 HB2 GLU 71 HB1 GLU 71 7.383 -1.004 -4.833 583 HB3 GLU 71 HB2 GLU 71 7.323 0.163 -6.175 584 HG2 GLU 71 HG1 GLU 71 9.781 -0.689 -4.602 585 HG3 GLU 71 HG2 GLU 71 9.392 -1.102 -6.285 586 H TYR 72 H TYR 72 6.864 -0.594 -2.470 587 HA TYR 72 HA TYR 72 4.046 -0.278 -2.318 588 HB2 TYR 72 HB1 TYR 72 4.986 -2.248 -1.536 589 HB3 TYR 72 HB2 TYR 72 6.229 -1.403 -0.597 590 HD1 TYR 72 HD1 TYR 72 2.451 -1.504 -0.670 591 HD2 TYR 72 HD2 TYR 72 6.034 -1.476 1.705 592 HE1 TYR 72 HE1 TYR 72 1.134 -2.223 1.310 593 HE2 TYR 72 HE2 TYR 72 4.719 -2.152 3.701 594 HH TYR 72 HH TYR 72 2.688 -2.856 4.489 595 H SER 73 H SER 73 6.613 1.298 -0.225 596 HA SER 73 HA SER 73 4.734 2.680 1.369 597 HB2 SER 73 HB1 SER 73 6.526 3.901 2.259 598 HB3 SER 73 HB2 SER 73 7.194 2.308 1.830 599 HG SER 73 HG SER 73 8.542 4.040 1.187 600 H VAL 74 H VAL 74 6.241 3.772 -1.720 601 HA VAL 74 HA VAL 74 4.798 6.263 -1.685 602 HB VAL 74 HB VAL 74 5.456 6.620 -3.950 603 HG11 VAL 74 HG11 VAL 74 7.897 6.668 -3.636 604 HG12 VAL 74 HG12 VAL 74 7.028 7.135 -2.158 605 HG13 VAL 74 HG13 VAL 74 7.741 5.509 -2.299 606 HG21 VAL 74 HG21 VAL 74 6.852 5.093 -5.278 607 HG22 VAL 74 HG22 VAL 74 6.667 3.852 -4.024 608 HG23 VAL 74 HG23 VAL 74 5.248 4.411 -4.943 609 H PHE 75 H PHE 75 3.994 2.999 -2.962 610 HA PHE 75 HA PHE 75 1.676 3.881 -4.385 611 HB2 PHE 75 HB1 PHE 75 2.753 1.610 -4.573 612 HB3 PHE 75 HB2 PHE 75 2.038 1.209 -3.003 613 HD1 PHE 75 HD2 PHE 75 -0.520 1.145 -2.772 614 HD2 PHE 75 HD1 PHE 75 1.431 1.803 -6.552 615 HE1 PHE 75 HE2 PHE 75 -2.605 0.511 -3.970 616 HE2 PHE 75 HE1 PHE 75 -0.629 1.106 -7.737 617 HZ PHE 75 HZ PHE 75 -2.625 0.382 -6.445 618 H LEU 76 H LEU 76 2.024 2.611 -1.001 619 HA LEU 76 HA LEU 76 -0.608 2.956 -0.116 620 HB2 LEU 76 HB1 LEU 76 2.039 3.366 1.318 621 HB3 LEU 76 HB2 LEU 76 0.463 3.359 2.143 622 HG LEU 76 HG LEU 76 1.707 1.025 0.655 623 HD11 LEU 76 HD11 LEU 76 1.985 0.098 2.935 624 HD12 LEU 76 HD12 LEU 76 2.859 1.640 2.755 625 HD13 LEU 76 HD13 LEU 76 1.310 1.593 3.627 626 HD21 LEU 76 HD21 LEU 76 -0.131 -0.314 1.614 627 HD22 LEU 76 HD22 LEU 76 -0.842 1.162 2.307 628 HD23 LEU 76 HD23 LEU 76 -0.750 0.961 0.541 629 H THR 77 H THR 77 2.038 5.336 -0.289 630 HA THR 77 HA THR 77 0.621 7.521 0.920 631 HB THR 77 HB THR 77 3.107 7.294 -0.805 632 HG1 THR 77 HG1 THR 77 4.022 7.580 1.282 633 HG21 THR 77 HG21 THR 77 3.688 9.555 0.015 634 HG22 THR 77 HG22 THR 77 2.205 9.588 -0.968 635 HG23 THR 77 HG23 THR 77 2.100 9.672 0.808 636 H MET 78 H MET 78 1.329 6.741 -2.529 637 HA MET 78 HA MET 78 -0.129 8.824 -3.746 638 HB2 MET 78 HB1 MET 78 1.475 7.237 -4.826 639 HB3 MET 78 HB2 MET 78 0.249 5.956 -4.688 640 HG2 MET 78 HG1 MET 78 -0.442 6.553 -6.718 641 HG3 MET 78 HG2 MET 78 -1.106 8.011 -5.965 642 HE1 MET 78 HE1 MET 78 2.790 7.603 -8.378 643 HE2 MET 78 HE2 MET 78 2.509 6.708 -6.864 644 HE3 MET 78 HE3 MET 78 1.470 6.411 -8.278 645 H LEU 79 H LEU 79 -1.221 5.662 -2.541 646 HA LEU 79 HA LEU 79 -3.931 5.836 -3.486 647 HB2 LEU 79 HB1 LEU 79 -2.688 3.754 -3.102 648 HB3 LEU 79 HB2 LEU 79 -2.572 4.135 -1.367 649 HG LEU 79 HG LEU 79 -5.026 3.976 -1.183 650 HD11 LEU 79 HD11 LEU 79 -6.357 2.986 -3.018 651 HD12 LEU 79 HD12 LEU 79 -5.653 4.547 -3.496 652 HD13 LEU 79 HD13 LEU 79 -4.927 3.028 -4.072 653 HD21 LEU 79 HD21 LEU 79 -5.132 1.511 -1.397 654 HD22 LEU 79 HD22 LEU 79 -3.678 1.538 -2.421 655 HD23 LEU 79 HD23 LEU 79 -3.574 2.034 -0.715 656 H CYS 80 H CYS 80 -2.358 6.597 -0.339 657 HA CYS 80 HA CYS 80 -4.714 7.267 1.096 658 HB2 CYS 80 HB1 CYS 80 -2.407 6.773 1.949 659 HB3 CYS 80 HB2 CYS 80 -1.900 8.379 1.367 660 HG CYS 80 HG CYS 80 -2.207 8.429 3.960 661 H MET 81 H MET 81 -2.570 9.384 -0.930 662 HA MET 81 HA MET 81 -4.325 11.639 -0.644 663 HB2 MET 81 HB1 MET 81 -3.013 12.735 -2.318 664 HB3 MET 81 HB2 MET 81 -1.986 11.941 -1.101 665 HG2 MET 81 HG1 MET 81 -1.439 10.174 -2.633 666 HG3 MET 81 HG2 MET 81 -2.596 10.787 -3.826 667 HE1 MET 81 HE1 MET 81 0.737 13.758 -2.733 668 HE2 MET 81 HE2 MET 81 -0.921 13.685 -2.095 669 HE3 MET 81 HE3 MET 81 0.274 12.458 -1.610 670 H ALA 82 H ALA 82 -4.966 8.795 -2.310 671 HA ALA 82 HA ALA 82 -6.418 10.031 -4.508 672 HB1 ALA 82 HB1 ALA 82 -7.049 7.713 -5.059 673 HB2 ALA 82 HB2 ALA 82 -5.298 7.868 -4.784 674 HB3 ALA 82 HB3 ALA 82 -6.336 7.154 -3.527 675 H TYR 83 H TYR 83 -7.142 10.043 -1.285 676 HA TYR 83 HA TYR 83 -9.878 10.686 -1.627 677 HB2 TYR 83 HB1 TYR 83 -10.838 8.775 -0.266 678 HB3 TYR 83 HB2 TYR 83 -10.363 8.405 -1.933 679 HD1 TYR 83 HD2 TYR 83 -9.292 8.038 1.651 680 HD2 TYR 83 HD1 TYR 83 -8.876 6.699 -2.419 681 HE1 TYR 83 HE2 TYR 83 -7.716 6.260 2.396 682 HE2 TYR 83 HE1 TYR 83 -7.543 4.757 -1.647 683 HH TYR 83 HH TYR 83 -6.437 4.457 1.751 684 H ASN 84 H ASN 84 -7.143 10.616 0.497 685 HA ASN 84 HA ASN 84 -8.821 11.477 2.739 686 HB2 ASN 84 HB1 ASN 84 -5.918 10.864 2.482 687 HB3 ASN 84 HB2 ASN 84 -6.476 11.903 3.813 688 HD21 ASN 84 HD21 ASN 84 -5.304 9.335 4.183 689 HD22 ASN 84 HD22 ASN 84 -6.517 8.283 4.889 690 H ASP 85 H ASP 85 -8.961 13.079 0.294 691 HA ASP 85 HA ASP 85 -8.205 15.712 1.063 692 HB2 ASP 85 HB1 ASP 85 -10.013 16.422 -0.450 693 HB3 ASP 85 HB2 ASP 85 -8.897 15.240 -1.170 694 H PHE 86 H PHE 86 -10.355 13.558 2.633 695 HA PHE 86 HA PHE 86 -12.129 15.219 3.989 696 HB2 PHE 86 HB1 PHE 86 -10.475 12.895 5.038 697 HB3 PHE 86 HB2 PHE 86 -11.931 13.545 5.810 698 HD1 PHE 86 HD1 PHE 86 -13.968 13.738 3.848 699 HD2 PHE 86 HD2 PHE 86 -10.821 10.812 4.119 700 HE1 PHE 86 HE1 PHE 86 -15.406 12.081 2.683 701 HE2 PHE 86 HE2 PHE 86 -12.265 9.151 2.964 702 HZ PHE 86 HZ PHE 86 -14.565 9.778 2.262 703 H PHE 87 H PHE 87 -8.667 15.434 4.180 704 HA PHE 87 HA PHE 87 -8.717 16.798 6.810 705 HB2 PHE 87 HB1 PHE 87 -6.516 15.728 5.011 706 HB3 PHE 87 HB2 PHE 87 -6.193 16.676 6.472 707 HD1 PHE 87 HD1 PHE 87 -7.560 13.451 5.199 708 HD2 PHE 87 HD2 PHE 87 -6.350 15.705 8.662 709 HE1 PHE 87 HE1 PHE 87 -7.566 11.368 6.553 710 HE2 PHE 87 HE2 PHE 87 -6.359 13.624 10.017 711 HZ PHE 87 HZ PHE 87 -6.960 11.454 8.963 712 H LEU 88 H LEU 88 -9.208 17.762 3.688 713 HA LEU 88 HA LEU 88 -7.342 20.077 3.648 714 HB2 LEU 88 HB1 LEU 88 -8.819 18.439 1.589 715 HB3 LEU 88 HB2 LEU 88 -8.142 20.036 1.189 716 HG LEU 88 HG LEU 88 -6.783 18.110 0.459 717 HD11 LEU 88 HD11 LEU 88 -4.601 19.025 1.185 718 HD12 LEU 88 HD12 LEU 88 -5.754 20.314 0.792 719 HD13 LEU 88 HD13 LEU 88 -5.417 19.909 2.492 720 HD21 LEU 88 HD21 LEU 88 -5.378 16.865 2.070 721 HD22 LEU 88 HD22 LEU 88 -6.210 17.680 3.410 722 HD23 LEU 88 HD23 LEU 88 -7.107 16.571 2.343 723 H GLU 89 H GLU 89 -8.572 21.886 2.030 724 HA GLU 89 HA GLU 89 -10.668 22.891 3.791 725 HB2 GLU 89 HB1 GLU 89 -8.771 23.993 1.833 726 HB3 GLU 89 HB2 GLU 89 -10.373 24.767 1.778 727 HG2 GLU 89 HG1 GLU 89 -9.047 25.940 3.416 728 HG3 GLU 89 HG2 GLU 89 -10.273 24.988 4.281 729 H ASP 90 H ASP 90 -10.901 20.817 1.391 730 HA ASP 90 HA ASP 90 -12.535 19.826 0.277 731 HB2 ASP 90 HB1 ASP 90 -13.872 20.436 2.336 732 HB3 ASP 90 HB2 ASP 90 -14.554 21.775 1.387 733 H ASN 91 H ASN 91 -12.940 23.444 -0.152 734 HA ASN 91 HA ASN 91 -12.713 23.500 -2.921 735 HB2 ASN 91 HB1 ASN 91 -12.548 25.433 -1.421 736 HB3 ASN 91 HB2 ASN 91 -11.006 24.830 -0.776 737 HD21 ASN 91 HD21 ASN 91 -9.107 24.891 -2.168 738 HD22 ASN 91 HD22 ASN 91 -9.044 26.011 -3.520 739 H LYS 92 H LYS 92 -10.506 22.162 -0.598 740 HA LYS 92 HA LYS 92 -9.466 20.156 -0.800 741 HB2 LYS 92 HB1 LYS 92 -8.735 20.778 -3.647 742 HB3 LYS 92 HB2 LYS 92 -8.323 19.302 -2.742 743 HG2 LYS 92 HG1 LYS 92 -11.090 20.232 -3.583 744 HG3 LYS 92 HG2 LYS 92 -10.178 18.844 -4.222 745 HD2 LYS 92 HD1 LYS 92 -10.430 17.634 -2.152 746 HD3 LYS 92 HD2 LYS 92 -11.121 19.061 -1.340 747 HE2 LYS 92 HE1 LYS 92 -12.996 18.974 -3.073 748 HE3 LYS 92 HE2 LYS 92 -12.361 17.387 -3.552 749 HZ1 LYS 92 HZ1 LYS 92 -14.122 17.191 -1.947 750 HZ2 LYS 92 HZ2 LYS 92 -12.707 16.640 -1.305 751 HZ3 LYS 92 HZ3 LYS 92 -13.297 18.115 -0.859 752 HA MET 1 HA MET 1 -9.872 2.512 10.648 753 HB2 MET 1 HB1 MET 1 -9.294 2.565 12.658 754 HB3 MET 1 HB2 MET 1 -10.635 3.683 13.007 755 HG2 MET 1 HG1 MET 1 -10.889 2.067 14.633 756 HG3 MET 1 HG2 MET 1 -12.026 1.528 13.387 757 HE1 MET 1 HE1 MET 1 -11.213 -2.104 13.428 758 HE2 MET 1 HE2 MET 1 -12.176 -0.936 14.361 759 HE3 MET 1 HE3 MET 1 -12.145 -0.847 12.583 760 H GLU 2 H GLU 2 -9.998 0.198 10.955 761 HA GLU 2 HA GLU 2 -12.181 -0.973 9.542 762 HB2 GLU 2 HB1 GLU 2 -11.339 -0.697 7.261 763 HB3 GLU 2 HB2 GLU 2 -11.833 0.851 7.990 764 HG2 GLU 2 HG1 GLU 2 -9.008 -0.101 7.426 765 HG3 GLU 2 HG2 GLU 2 -9.892 1.214 6.620 766 H THR 3 H THR 3 -8.529 -0.701 9.593 767 HA THR 3 HA THR 3 -8.226 -3.589 9.758 768 HB THR 3 HB THR 3 -7.370 -4.038 7.593 769 HG1 THR 3 HG1 THR 3 -7.281 -2.384 6.026 770 HG21 THR 3 HG21 THR 3 -9.212 -3.725 5.994 771 HG22 THR 3 HG22 THR 3 -9.790 -4.253 7.582 772 HG23 THR 3 HG23 THR 3 -9.946 -2.548 7.094 773 HA PRO 4 HA PRO 4 -4.391 -2.269 11.158 774 HB2 PRO 4 HB1 PRO 4 -2.486 -4.158 10.697 775 HB3 PRO 4 HB2 PRO 4 -3.970 -4.503 11.645 776 HG2 PRO 4 HG1 PRO 4 -3.490 -5.052 8.708 777 HG3 PRO 4 HG2 PRO 4 -4.102 -6.195 9.947 778 HD2 PRO 4 HD1 PRO 4 -5.772 -4.803 8.281 779 HD3 PRO 4 HD2 PRO 4 -6.217 -5.138 9.982 780 H LEU 5 H LEU 5 -4.117 -2.731 7.624 781 HA LEU 5 HA LEU 5 -1.494 -1.635 7.344 782 HB2 LEU 5 HB1 LEU 5 -2.582 -2.959 5.639 783 HB3 LEU 5 HB2 LEU 5 -3.862 -1.736 5.461 784 HG LEU 5 HG LEU 5 -2.341 -0.186 4.437 785 HD11 LEU 5 HD11 LEU 5 0.034 -0.724 3.992 786 HD12 LEU 5 HD12 LEU 5 -0.297 -0.662 5.737 787 HD13 LEU 5 HD13 LEU 5 -0.140 -2.233 4.915 788 HD21 LEU 5 HD21 LEU 5 -1.730 -1.507 2.419 789 HD22 LEU 5 HD22 LEU 5 -1.931 -3.014 3.346 790 HD23 LEU 5 HD23 LEU 5 -3.338 -1.973 3.024 791 H GLU 6 H GLU 6 -4.715 -0.047 7.213 792 HA GLU 6 HA GLU 6 -3.875 2.595 6.750 793 HB2 GLU 6 HB1 GLU 6 -6.172 1.841 6.579 794 HB3 GLU 6 HB2 GLU 6 -6.222 1.488 8.322 795 HG2 GLU 6 HG1 GLU 6 -7.399 3.598 7.603 796 HG3 GLU 6 HG2 GLU 6 -6.187 3.797 8.888 797 H LYS 7 H LYS 7 -3.618 0.732 9.764 798 HA LYS 7 HA LYS 7 -3.186 3.006 11.450 799 HB2 LYS 7 HB1 LYS 7 -2.175 0.195 11.889 800 HB3 LYS 7 HB2 LYS 7 -2.464 1.455 13.113 801 HG2 LYS 7 HG1 LYS 7 -4.530 -0.031 11.469 802 HG3 LYS 7 HG2 LYS 7 -4.255 -0.136 13.224 803 HD2 LYS 7 HD1 LYS 7 -4.827 2.347 13.349 804 HD3 LYS 7 HD2 LYS 7 -5.353 2.228 11.652 805 HE2 LYS 7 HE1 LYS 7 -6.331 0.288 13.757 806 HE3 LYS 7 HE2 LYS 7 -7.129 1.855 13.501 807 HZ1 LYS 7 HZ1 LYS 7 -8.158 0.116 12.223 808 HZ2 LYS 7 HZ2 LYS 7 -7.480 1.233 11.217 809 HZ3 LYS 7 HZ3 LYS 7 -6.739 -0.222 11.455 810 H ALA 8 H ALA 8 -1.105 1.661 9.028 811 HA ALA 8 HA ALA 8 1.167 3.199 9.952 812 HB1 ALA 8 HB1 ALA 8 1.983 2.891 7.651 813 HB2 ALA 8 HB2 ALA 8 1.406 1.359 8.351 814 HB3 ALA 8 HB3 ALA 8 0.397 2.237 7.176 815 H LEU 9 H LEU 9 -1.337 3.875 7.411 816 HA LEU 9 HA LEU 9 -0.244 6.391 6.724 817 HB2 LEU 9 HB1 LEU 9 -2.930 5.097 6.263 818 HB3 LEU 9 HB2 LEU 9 -2.507 6.696 5.606 819 HG LEU 9 HG LEU 9 -2.321 5.063 3.892 820 HD11 LEU 9 HD11 LEU 9 0.019 5.384 3.155 821 HD12 LEU 9 HD12 LEU 9 -0.656 6.868 3.864 822 HD13 LEU 9 HD13 LEU 9 0.466 5.859 4.807 823 HD21 LEU 9 HD21 LEU 9 -0.765 3.147 3.924 824 HD22 LEU 9 HD22 LEU 9 -0.336 3.536 5.603 825 HD23 LEU 9 HD23 LEU 9 -1.992 3.021 5.200 826 H THR 10 H THR 10 -3.302 5.776 8.612 827 HA THR 10 HA THR 10 -3.937 8.361 9.373 828 HB THR 10 HB THR 10 -4.275 5.686 10.702 829 HG1 THR 10 HG1 THR 10 -6.455 6.307 10.259 830 HG21 THR 10 HG21 THR 10 -5.772 6.711 12.413 831 HG22 THR 10 HG22 THR 10 -4.099 7.267 12.615 832 HG23 THR 10 HG23 THR 10 -5.304 8.324 11.842 833 H THR 11 H THR 11 -1.601 6.201 11.008 834 HA THR 11 HA THR 11 -0.940 7.942 13.159 835 HB THR 11 HB THR 11 0.740 5.790 11.830 836 HG1 THR 11 HG1 THR 11 -0.267 4.498 13.450 837 HG21 THR 11 HG21 THR 11 1.743 5.502 14.076 838 HG22 THR 11 HG22 THR 11 2.021 7.142 13.451 839 HG23 THR 11 HG23 THR 11 0.763 6.856 14.679 840 H MET 12 H MET 12 0.639 7.444 9.956 841 HA MET 12 HA MET 12 2.688 9.378 10.330 842 HB2 MET 12 HB1 MET 12 1.409 8.288 7.799 843 HB3 MET 12 HB2 MET 12 2.863 9.314 7.827 844 HG2 MET 12 HG1 MET 12 4.149 7.674 8.906 845 HG3 MET 12 HG2 MET 12 2.722 6.779 9.455 846 HE1 MET 12 HE1 MET 12 5.324 5.654 6.067 847 HE2 MET 12 HE2 MET 12 5.393 7.302 6.731 848 HE3 MET 12 HE3 MET 12 5.571 5.900 7.812 849 H VAL 13 H VAL 13 -0.538 9.735 8.673 850 HA VAL 13 HA VAL 13 -0.016 12.422 7.898 851 HB VAL 13 HB VAL 13 -2.386 12.697 7.422 852 HG11 VAL 13 HG11 VAL 13 -2.561 10.982 5.648 853 HG12 VAL 13 HG12 VAL 13 -0.915 11.643 5.764 854 HG13 VAL 13 HG13 VAL 13 -1.282 10.040 6.444 855 HG21 VAL 13 HG21 VAL 13 -4.021 10.869 7.662 856 HG22 VAL 13 HG22 VAL 13 -2.806 9.909 8.529 857 HG23 VAL 13 HG23 VAL 13 -3.416 11.426 9.235 858 H THR 14 H THR 14 -1.462 11.091 10.872 859 HA THR 14 HA THR 14 -2.314 13.619 11.953 860 HB THR 14 HB THR 14 -1.563 11.057 13.413 861 HG1 THR 14 HG1 THR 14 -3.835 10.730 13.248 862 HG21 THR 14 HG21 THR 14 -3.136 11.890 15.147 863 HG22 THR 14 HG22 THR 14 -1.787 13.024 14.914 864 HG23 THR 14 HG23 THR 14 -3.381 13.377 14.204 865 H THR 15 H THR 15 0.656 11.646 12.408 866 HA THR 15 HA THR 15 1.914 13.396 14.276 867 HB THR 15 HB THR 15 3.263 11.469 12.361 868 HG1 THR 15 HG1 THR 15 3.015 10.011 14.123 869 HG21 THR 15 HG21 THR 15 4.960 11.311 14.168 870 HG22 THR 15 HG22 THR 15 4.802 12.982 13.583 871 HG23 THR 15 HG23 THR 15 4.047 12.501 15.122 872 H PHE 16 H PHE 16 2.203 13.111 10.721 873 HA PHE 16 HA PHE 16 3.996 15.231 10.214 874 HB2 PHE 16 HB1 PHE 16 3.334 13.452 8.660 875 HB3 PHE 16 HB2 PHE 16 1.681 14.088 8.615 876 HD1 PHE 16 HD2 PHE 16 1.210 16.262 7.420 877 HD2 PHE 16 HD1 PHE 16 5.041 14.308 7.240 878 HE1 PHE 16 HE2 PHE 16 1.718 17.439 5.293 879 HE2 PHE 16 HE1 PHE 16 5.475 15.363 5.035 880 HZ PHE 16 HZ PHE 16 3.816 16.937 4.061 881 H HIS 17 H HIS 17 0.358 15.298 10.273 882 HA HIS 17 HA HIS 17 0.173 18.007 9.489 883 HB2 HIS 17 HB1 HIS 17 -1.665 16.409 9.317 884 HB3 HIS 17 HB2 HIS 17 -1.767 16.306 11.084 885 HD1 HIS 17 HD1 HIS 17 -3.928 17.566 11.758 886 HD2 HIS 17 HD2 HIS 17 -1.722 19.464 8.734 887 HE1 HIS 17 HE1 HIS 17 -5.136 19.758 11.238 888 HE2 HIS 17 HE2 HIS 17 -3.820 20.926 9.372 889 H LYS 18 H LYS 18 0.672 16.678 12.771 890 HA LYS 18 HA LYS 18 0.107 18.924 14.335 891 HB2 LYS 18 HB1 LYS 18 0.822 16.573 14.980 892 HB3 LYS 18 HB2 LYS 18 2.497 17.084 14.659 893 HG2 LYS 18 HG1 LYS 18 1.178 18.940 16.454 894 HG3 LYS 18 HG2 LYS 18 1.068 17.273 17.069 895 HD2 LYS 18 HD1 LYS 18 3.011 18.246 18.044 896 HD3 LYS 18 HD2 LYS 18 3.578 17.113 16.794 897 HE2 LYS 18 HE1 LYS 18 3.982 18.950 15.250 898 HE3 LYS 18 HE2 LYS 18 3.288 20.114 16.399 899 HZ1 LYS 18 HZ1 LYS 18 5.675 20.140 16.440 900 HZ2 LYS 18 HZ2 LYS 18 5.088 19.618 17.889 901 HZ3 LYS 18 HZ3 LYS 18 5.733 18.538 16.821 902 H TYR 19 H TYR 19 2.824 18.519 12.108 903 HA TYR 19 HA TYR 19 4.120 21.008 13.077 904 HB2 TYR 19 HB1 TYR 19 5.073 18.798 11.228 905 HB3 TYR 19 HB2 TYR 19 6.019 20.227 11.681 906 HD1 TYR 19 HD1 TYR 19 4.353 17.197 13.095 907 HD2 TYR 19 HD2 TYR 19 7.387 20.184 13.653 908 HE1 TYR 19 HE1 TYR 19 5.279 15.889 14.987 909 HE2 TYR 19 HE2 TYR 19 8.330 18.887 15.545 910 HH TYR 19 HH TYR 19 8.177 16.981 16.805 911 H SER 20 H SER 20 2.748 19.517 10.061 912 HA SER 20 HA SER 20 3.076 21.689 8.310 913 HB2 SER 20 HB1 SER 20 0.454 20.220 8.374 914 HB3 SER 20 HB2 SER 20 1.465 20.680 6.984 915 HG SER 20 HG SER 20 1.483 18.425 7.390 916 H GLY 21 H GLY 21 0.506 21.116 10.715 917 HA2 GLY 21 HA2 GLY 21 -0.135 23.622 10.188 918 H ARG 22 H ARG 22 2.046 23.517 11.436 919 HA ARG 22 HA ARG 22 1.308 26.183 12.430 920 HB2 ARG 22 HB1 ARG 22 3.258 26.211 13.938 921 HB3 ARG 22 HB2 ARG 22 1.879 25.181 14.395 922 HG2 ARG 22 HG1 ARG 22 3.851 24.107 15.075 923 HG3 ARG 22 HG2 ARG 22 3.182 23.209 13.692 924 HD2 ARG 22 HD1 ARG 22 5.736 23.510 13.911 925 HD3 ARG 22 HD2 ARG 22 4.963 23.715 12.325 926 HE ARG 22 HE ARG 22 5.001 26.239 13.109 927 HH11 ARG 22 HH12 ARG 22 7.620 23.947 13.777 928 HH12 ARG 22 HH11 ARG 22 8.856 25.152 13.535 929 HH21 ARG 22 HH22 ARG 22 6.618 27.673 12.661 930 HH22 ARG 22 HH21 ARG 22 8.293 27.234 12.910 931 H GLU 23 H GLU 23 2.407 24.878 9.784 932 HA GLU 23 HA GLU 23 3.771 27.454 9.154 933 HB2 GLU 23 HB1 GLU 23 3.783 24.810 7.652 934 HB3 GLU 23 HB2 GLU 23 4.464 26.330 7.025 935 HG2 GLU 23 HG1 GLU 23 5.967 26.387 9.064 936 HG3 GLU 23 HG2 GLU 23 5.391 24.749 9.448 937 H GLY 24 H GLY 24 1.299 25.100 7.904 938 HA2 GLY 24 HA2 GLY 24 -0.561 25.802 7.965 939 H SER 25 H SER 25 0.910 24.815 5.383 940 HA SER 25 HA SER 25 -1.344 23.548 4.176 941 HB2 SER 25 HB1 SER 25 1.621 22.893 4.192 942 HB3 SER 25 HB2 SER 25 0.424 22.086 3.152 943 HG SER 25 HG SER 25 1.445 23.866 2.114 944 H LYS 26 H LYS 26 -1.207 20.920 3.959 945 HA LYS 26 HA LYS 26 -0.959 19.752 6.636 946 HB2 LYS 26 HB1 LYS 26 -3.294 18.847 6.580 947 HB3 LYS 26 HB2 LYS 26 -3.142 20.602 6.835 948 HG2 LYS 26 HG1 LYS 26 -3.466 19.894 4.007 949 HG3 LYS 26 HG2 LYS 26 -4.822 19.340 5.018 950 HD2 LYS 26 HD1 LYS 26 -3.744 22.184 5.071 951 HD3 LYS 26 HD2 LYS 26 -5.092 21.662 4.032 952 HE2 LYS 26 HE1 LYS 26 -6.394 20.998 6.001 953 HE3 LYS 26 HE2 LYS 26 -5.033 21.407 7.069 954 HZ1 LYS 26 HZ1 LYS 26 -6.646 23.163 6.973 955 HZ2 LYS 26 HZ2 LYS 26 -5.216 23.674 6.327 956 HZ3 LYS 26 HZ3 LYS 26 -6.479 23.295 5.337 957 H LEU 27 H LEU 27 -1.450 19.035 3.148 958 HA LEU 27 HA LEU 27 -0.446 16.303 3.796 959 HB2 LEU 27 HB1 LEU 27 -1.536 17.434 1.212 960 HB3 LEU 27 HB2 LEU 27 -0.854 15.799 1.392 961 HG LEU 27 HG LEU 27 -3.411 16.913 2.557 962 HD11 LEU 27 HD11 LEU 27 -4.381 14.996 1.301 963 HD12 LEU 27 HD12 LEU 27 -3.432 16.052 0.227 964 HD13 LEU 27 HD13 LEU 27 -2.747 14.508 0.790 965 HD21 LEU 27 HD21 LEU 27 -3.777 14.749 3.704 966 HD22 LEU 27 HD22 LEU 27 -2.148 14.228 3.226 967 HD23 LEU 27 HD23 LEU 27 -2.355 15.592 4.350 968 H THR 28 H THR 28 0.619 19.286 2.920 969 HA THR 28 HA THR 28 3.366 18.414 2.191 970 HB THR 28 HB THR 28 3.475 20.673 1.041 971 HG1 THR 28 HG1 THR 28 1.415 21.558 0.506 972 HG21 THR 28 HG21 THR 28 2.268 20.042 -1.031 973 HG22 THR 28 HG22 THR 28 3.154 18.660 -0.355 974 HG23 THR 28 HG23 THR 28 1.393 18.789 -0.128 975 H LEU 29 H LEU 29 4.940 19.952 3.034 976 HA LEU 29 HA LEU 29 4.300 22.362 4.394 977 HB2 LEU 29 HB1 LEU 29 4.705 22.033 6.589 978 HB3 LEU 29 HB2 LEU 29 3.877 20.514 6.168 979 HG LEU 29 HG LEU 29 6.871 20.856 6.513 980 HD11 LEU 29 HD11 LEU 29 6.525 19.528 8.587 981 HD12 LEU 29 HD12 LEU 29 5.610 21.053 8.641 982 HD13 LEU 29 HD13 LEU 29 4.772 19.523 8.287 983 HD21 LEU 29 HD21 LEU 29 6.923 18.384 6.433 984 HD22 LEU 29 HD22 LEU 29 5.172 18.361 6.124 985 HD23 LEU 29 HD23 LEU 29 6.280 19.063 4.921 986 H SER 30 H SER 30 6.739 23.139 5.501 987 HA SER 30 HA SER 30 8.178 23.286 3.024 988 HB2 SER 30 HB1 SER 30 9.612 24.896 3.978 989 HB3 SER 30 HB2 SER 30 7.997 25.200 4.664 990 HG SER 30 HG SER 30 9.658 25.239 6.251 991 H ARG 31 H ARG 31 10.294 22.783 2.492 992 HA ARG 31 HA ARG 31 11.531 20.551 3.722 993 HB2 ARG 31 HB1 ARG 31 13.533 22.086 2.439 994 HB3 ARG 31 HB2 ARG 31 12.812 20.521 1.994 995 HG2 ARG 31 HG1 ARG 31 11.078 22.559 1.053 996 HG3 ARG 31 HG2 ARG 31 12.742 23.009 0.612 997 HD2 ARG 31 HD1 ARG 31 11.278 20.454 -0.077 998 HD3 ARG 31 HD2 ARG 31 11.755 21.760 -1.184 999 HE ARG 31 HE ARG 31 14.156 20.936 -0.211 1000 HH11 ARG 31 HH12 ARG 31 11.442 19.152 -1.613 1001 HH12 ARG 31 HH11 ARG 31 12.456 17.883 -2.248 1002 HH21 ARG 31 HH22 ARG 31 15.420 19.228 -1.062 1003 HH22 ARG 31 HH21 ARG 31 14.662 17.924 -1.941 1004 H LYS 32 H LYS 32 11.265 23.656 5.051 1005 HA LYS 32 HA LYS 32 13.618 23.318 6.765 1006 HB2 LYS 32 HB1 LYS 32 11.736 25.460 6.081 1007 HB3 LYS 32 HB2 LYS 32 12.129 25.396 7.816 1008 HG2 LYS 32 HG1 LYS 32 14.391 25.826 7.461 1009 HG3 LYS 32 HG2 LYS 32 14.367 25.159 5.811 1010 HD2 LYS 32 HD1 LYS 32 13.256 27.105 4.946 1011 HD3 LYS 32 HD2 LYS 32 12.920 27.720 6.583 1012 HE2 LYS 32 HE1 LYS 32 15.206 28.255 6.970 1013 HE3 LYS 32 HE2 LYS 32 15.756 27.266 5.600 1014 HZ1 LYS 32 HZ1 LYS 32 15.814 29.599 5.093 1015 HZ2 LYS 32 HZ2 LYS 32 14.713 28.838 4.131 1016 HZ3 LYS 32 HZ3 LYS 32 14.203 29.755 5.403 1017 H GLU 33 H GLU 33 10.045 22.860 7.137 1018 HA GLU 33 HA GLU 33 10.474 22.212 9.971 1019 HB2 GLU 33 HB1 GLU 33 8.591 23.614 9.316 1020 HB3 GLU 33 HB2 GLU 33 7.946 22.294 8.312 1021 HG2 GLU 33 HG1 GLU 33 6.671 22.357 10.313 1022 HG3 GLU 33 HG2 GLU 33 7.713 20.920 10.385 1023 H LEU 34 H LEU 34 9.872 20.311 6.944 1024 HA LEU 34 HA LEU 34 8.993 17.942 8.259 1025 HB2 LEU 34 HB1 LEU 34 8.947 18.410 5.776 1026 HB3 LEU 34 HB2 LEU 34 10.700 18.107 5.746 1027 HG LEU 34 HG LEU 34 10.174 15.814 6.774 1028 HD11 LEU 34 HD11 LEU 34 7.901 14.907 6.344 1029 HD12 LEU 34 HD12 LEU 34 7.841 16.272 7.480 1030 HD13 LEU 34 HD13 LEU 34 7.375 16.508 5.779 1031 HD21 LEU 34 HD21 LEU 34 9.586 14.839 4.569 1032 HD22 LEU 34 HD22 LEU 34 9.074 16.443 3.999 1033 HD23 LEU 34 HD23 LEU 34 10.783 16.141 4.392 1034 H LYS 35 H LYS 35 12.304 19.063 7.438 1035 HA LYS 35 HA LYS 35 13.677 16.905 8.656 1036 HB2 LYS 35 HB1 LYS 35 15.582 18.487 8.672 1037 HB3 LYS 35 HB2 LYS 35 14.742 18.370 7.108 1038 HG2 LYS 35 HG1 LYS 35 13.572 20.503 7.612 1039 HG3 LYS 35 HG2 LYS 35 14.505 20.629 9.123 1040 HD2 LYS 35 HD1 LYS 35 15.903 20.273 6.468 1041 HD3 LYS 35 HD2 LYS 35 15.361 21.883 7.000 1042 HE2 LYS 35 HE1 LYS 35 16.854 20.347 9.044 1043 HE3 LYS 35 HE2 LYS 35 17.799 20.769 7.600 1044 HZ1 LYS 35 HZ1 LYS 35 17.916 22.474 9.268 1045 HZ2 LYS 35 HZ2 LYS 35 17.155 23.050 7.923 1046 HZ3 LYS 35 HZ3 LYS 35 16.277 22.658 9.263 1047 H GLU 36 H GLU 36 12.271 19.843 10.143 1048 HA GLU 36 HA GLU 36 13.453 19.367 12.722 1049 HB2 GLU 36 HB1 GLU 36 12.565 21.542 11.830 1050 HB3 GLU 36 HB2 GLU 36 10.922 20.895 12.058 1051 HG2 GLU 36 HG1 GLU 36 11.307 22.194 13.964 1052 HG3 GLU 36 HG2 GLU 36 11.587 20.524 14.501 1053 H LEU 37 H LEU 37 10.217 18.501 11.341 1054 HA LEU 37 HA LEU 37 9.021 17.231 13.495 1055 HB2 LEU 37 HB1 LEU 37 7.660 17.410 11.662 1056 HB3 LEU 37 HB2 LEU 37 8.943 16.939 10.521 1057 HG LEU 37 HG LEU 37 8.654 14.585 11.205 1058 HD11 LEU 37 HD11 LEU 37 6.635 13.818 12.396 1059 HD12 LEU 37 HD12 LEU 37 7.672 14.815 13.434 1060 HD13 LEU 37 HD13 LEU 37 6.197 15.507 12.717 1061 HD21 LEU 37 HD21 LEU 37 6.522 14.239 9.985 1062 HD22 LEU 37 HD22 LEU 37 6.105 15.948 10.240 1063 HD23 LEU 37 HD23 LEU 37 7.505 15.514 9.228 1064 H ILE 38 H ILE 38 11.209 15.757 11.101 1065 HA ILE 38 HA ILE 38 11.265 13.154 12.207 1066 HB ILE 38 HB ILE 38 13.226 14.637 10.433 1067 HG12 ILE 38 HG13 ILE 38 11.186 12.473 9.775 1068 HG13 ILE 38 HG12 ILE 38 10.865 14.216 9.620 1069 HG21 ILE 38 HG21 ILE 38 14.185 12.422 9.867 1070 HG22 ILE 38 HG22 ILE 38 14.406 12.801 11.591 1071 HG23 ILE 38 HG23 ILE 38 13.138 11.660 11.084 1072 HD11 ILE 38 HD11 ILE 38 11.477 13.225 7.437 1073 HD12 ILE 38 HD12 ILE 38 12.691 14.406 7.973 1074 HD13 ILE 38 HD13 ILE 38 13.014 12.663 8.129 1075 H LYS 39 H LYS 39 13.802 15.795 12.690 1076 HA LYS 39 HA LYS 39 15.139 14.160 14.616 1077 HB2 LYS 39 HB1 LYS 39 15.440 16.827 13.461 1078 HB3 LYS 39 HB2 LYS 39 15.936 16.757 15.170 1079 HG2 LYS 39 HG1 LYS 39 16.901 14.796 13.063 1080 HG3 LYS 39 HG2 LYS 39 17.762 16.300 13.472 1081 HD2 LYS 39 HD1 LYS 39 18.024 15.499 15.813 1082 HD3 LYS 39 HD2 LYS 39 17.191 13.988 15.381 1083 HE2 LYS 39 HE1 LYS 39 18.913 13.481 13.710 1084 HE3 LYS 39 HE2 LYS 39 19.721 15.028 14.041 1085 HZ1 LYS 39 HZ1 LYS 39 20.813 13.207 15.128 1086 HZ2 LYS 39 HZ2 LYS 39 20.185 14.242 16.244 1087 HZ3 LYS 39 HZ3 LYS 39 19.435 12.807 15.937 1088 H LYS 40 H LYS 40 12.183 15.840 15.068 1089 HA LYS 40 HA LYS 40 12.603 16.101 17.972 1090 HB2 LYS 40 HB1 LYS 40 10.699 17.166 15.955 1091 HB3 LYS 40 HB2 LYS 40 10.047 16.882 17.587 1092 HG2 LYS 40 HG1 LYS 40 10.874 19.192 17.191 1093 HG3 LYS 40 HG2 LYS 40 11.630 18.358 18.568 1094 HD2 LYS 40 HD1 LYS 40 13.691 18.061 17.342 1095 HD3 LYS 40 HD2 LYS 40 12.946 18.663 15.843 1096 HE2 LYS 40 HE1 LYS 40 12.478 20.831 16.983 1097 HE3 LYS 40 HE2 LYS 40 13.308 20.224 18.432 1098 HZ1 LYS 40 HZ1 LYS 40 14.739 21.583 17.093 1099 HZ2 LYS 40 HZ2 LYS 40 15.302 20.034 17.134 1100 HZ3 LYS 40 HZ3 LYS 40 14.532 20.596 15.788 1101 H GLU 41 H GLU 41 10.566 14.103 15.727 1102 HA GLU 41 HA GLU 41 9.749 12.591 18.140 1103 HB2 GLU 41 HB1 GLU 41 7.886 11.757 17.027 1104 HB3 GLU 41 HB2 GLU 41 7.977 13.496 16.663 1105 HG2 GLU 41 HG1 GLU 41 7.306 12.585 14.658 1106 HG3 GLU 41 HG2 GLU 41 9.062 12.752 14.443 1107 H LEU 42 H LEU 42 11.307 12.035 14.958 1108 HA LEU 42 HA LEU 42 11.777 9.234 15.552 1109 HB2 LEU 42 HB1 LEU 42 11.976 10.959 13.253 1110 HB3 LEU 42 HB2 LEU 42 13.485 10.039 13.462 1111 HG LEU 42 HG LEU 42 10.748 8.731 13.557 1112 HD11 LEU 42 HD11 LEU 42 11.086 8.088 11.182 1113 HD12 LEU 42 HD12 LEU 42 11.003 9.855 11.366 1114 HD13 LEU 42 HD13 LEU 42 12.576 9.056 11.135 1115 HD21 LEU 42 HD21 LEU 42 12.021 6.672 13.013 1116 HD22 LEU 42 HD22 LEU 42 13.527 7.615 12.986 1117 HD23 LEU 42 HD23 LEU 42 12.620 7.427 14.506 1118 H CYS 43 H CYS 43 12.886 8.864 17.270 1119 HA CYS 43 HA CYS 43 14.437 10.849 18.584 1120 HB2 CYS 43 HB1 CYS 43 12.743 9.194 19.462 1121 HB3 CYS 43 HB2 CYS 43 13.984 7.928 19.286 1122 HG CYS 43 HG CYS 43 13.731 8.583 21.810 1123 H LEU 44 H LEU 44 15.874 9.701 16.121 1124 HA LEU 44 HA LEU 44 18.028 8.077 17.101 1125 HB2 LEU 44 HB1 LEU 44 17.418 9.519 14.537 1126 HB3 LEU 44 HB2 LEU 44 19.042 8.847 14.817 1127 HG LEU 44 HG LEU 44 17.967 6.610 15.206 1128 HD11 LEU 44 HD11 LEU 44 15.679 6.228 14.347 1129 HD12 LEU 44 HD12 LEU 44 15.672 7.338 15.735 1130 HD13 LEU 44 HD13 LEU 44 15.490 7.976 14.084 1131 HD21 LEU 44 HD21 LEU 44 17.643 6.215 12.781 1132 HD22 LEU 44 HD22 LEU 44 17.490 7.968 12.514 1133 HD23 LEU 44 HD23 LEU 44 19.035 7.285 13.076 1134 H GLY 45 H GLY 45 19.103 9.103 18.810 1135 HA2 GLY 45 HA2 GLY 45 20.999 10.114 17.347 1136 H GLU 46 H GLU 46 22.267 9.337 20.324 1137 HA GLU 46 HA GLU 46 24.086 7.504 19.653 1138 HB2 GLU 46 HB1 GLU 46 23.791 6.568 21.850 1139 HB3 GLU 46 HB2 GLU 46 23.482 8.320 21.912 1140 HG2 GLU 46 HG1 GLU 46 21.436 6.080 22.013 1141 HG3 GLU 46 HG2 GLU 46 21.873 7.205 23.315 1142 H MET 47 H MET 47 20.578 6.675 19.494 1143 HA MET 47 HA MET 47 20.580 3.941 19.259 1144 HB2 MET 47 HB1 MET 47 19.220 6.026 17.516 1145 HB3 MET 47 HB2 MET 47 18.878 4.286 17.377 1146 HG2 MET 47 HG1 MET 47 18.071 4.251 19.683 1147 HG3 MET 47 HG2 MET 47 18.437 5.976 19.849 1148 HE1 MET 47 HE1 MET 47 15.208 4.489 16.806 1149 HE2 MET 47 HE2 MET 47 16.957 4.477 16.496 1150 HE3 MET 47 HE3 MET 47 16.257 3.370 17.703 1151 H LYS 48 H LYS 48 21.679 6.254 16.794 1152 HA LYS 48 HA LYS 48 22.855 4.162 15.100 1153 HB2 LYS 48 HB1 LYS 48 20.432 5.897 14.536 1154 HB3 LYS 48 HB2 LYS 48 21.457 5.329 13.196 1155 HG2 LYS 48 HG1 LYS 48 19.996 3.600 15.207 1156 HG3 LYS 48 HG2 LYS 48 19.542 3.864 13.506 1157 HD2 LYS 48 HD1 LYS 48 21.953 2.378 14.591 1158 HD3 LYS 48 HD2 LYS 48 20.623 1.741 13.593 1159 HE2 LYS 48 HE1 LYS 48 21.392 3.368 11.770 1160 HE3 LYS 48 HE2 LYS 48 22.842 3.649 12.757 1161 HZ1 LYS 48 HZ1 LYS 48 23.218 1.996 11.077 1162 HZ2 LYS 48 HZ2 LYS 48 23.341 1.321 12.574 1163 HZ3 LYS 48 HZ3 LYS 48 21.994 1.060 11.659 1164 H GLU 49 H GLU 49 23.168 7.950 15.753 1165 HA GLU 49 HA GLU 49 21.320 7.687 13.712 1166 HB2 GLU 49 HB1 GLU 49 21.364 10.103 13.447 1167 HB3 GLU 49 HB2 GLU 49 21.217 9.523 15.125 1168 HG2 GLU 49 HG1 GLU 49 23.462 10.207 15.639 1169 HG3 GLU 49 HG2 GLU 49 23.819 10.541 13.930 1170 H SER 50 H SER 50 23.180 10.094 12.277 1171 HA SER 50 HA SER 50 24.278 10.293 10.326 1172 HB2 SER 50 HB1 SER 50 25.718 8.399 11.210 1173 HB3 SER 50 HB2 SER 50 24.746 7.308 10.192 1174 HG SER 50 HG SER 50 26.629 8.085 9.119 1175 H SER 51 H SER 51 24.205 9.680 7.967 1176 HA SER 51 HA SER 51 23.049 9.890 6.090 1177 HB2 SER 51 HB1 SER 51 21.403 8.248 5.438 1178 HB3 SER 51 HB2 SER 51 22.765 7.475 6.285 1179 HG SER 51 HG SER 51 20.728 6.640 6.929 1180 H ILE 52 H ILE 52 20.851 10.086 8.934 1181 HA ILE 52 HA ILE 52 18.815 11.604 7.762 1182 HB ILE 52 HB ILE 52 18.335 12.550 9.896 1183 HG12 ILE 52 HG13 ILE 52 19.947 11.672 11.874 1184 HG13 ILE 52 HG12 ILE 52 21.157 11.972 10.602 1185 HG21 ILE 52 HG21 ILE 52 18.052 10.518 11.268 1186 HG22 ILE 52 HG22 ILE 52 17.701 10.215 9.556 1187 HG23 ILE 52 HG23 ILE 52 19.248 9.681 10.258 1188 HD11 ILE 52 HD11 ILE 52 20.846 13.980 12.028 1189 HD12 ILE 52 HD12 ILE 52 20.325 14.290 10.357 1190 HD13 ILE 52 HD13 ILE 52 19.113 13.991 11.627 1191 H ASP 53 H ASP 53 22.100 12.530 8.559 1192 HA ASP 53 HA ASP 53 21.715 15.358 8.648 1193 HB2 ASP 53 HB1 ASP 53 23.526 14.096 9.788 1194 HB3 ASP 53 HB2 ASP 53 24.240 13.728 8.203 1195 H ASP 54 H ASP 54 23.304 13.307 6.005 1196 HA ASP 54 HA ASP 54 23.363 15.484 4.184 1197 HB2 ASP 54 HB1 ASP 54 24.503 13.292 3.694 1198 HB3 ASP 54 HB2 ASP 54 22.908 12.593 3.346 1199 H LEU 55 H LEU 55 20.796 13.011 4.789 1200 HA LEU 55 HA LEU 55 19.260 13.749 2.499 1201 HB2 LEU 55 HB1 LEU 55 18.513 12.257 5.037 1202 HB3 LEU 55 HB2 LEU 55 17.497 12.358 3.579 1203 HG LEU 55 HG LEU 55 20.308 11.213 3.630 1204 HD11 LEU 55 HD11 LEU 55 19.226 8.987 3.542 1205 HD12 LEU 55 HD12 LEU 55 18.788 9.863 5.026 1206 HD13 LEU 55 HD13 LEU 55 17.629 9.762 3.678 1207 HD21 LEU 55 HD21 LEU 55 19.716 10.250 1.431 1208 HD22 LEU 55 HD22 LEU 55 18.125 11.039 1.520 1209 HD23 LEU 55 HD23 LEU 55 19.604 12.024 1.416 1210 H MET 56 H MET 56 18.977 14.665 5.969 1211 HA MET 56 HA MET 56 16.797 16.463 5.483 1212 HB2 MET 56 HB1 MET 56 16.793 16.954 7.695 1213 HB3 MET 56 HB2 MET 56 17.448 15.299 7.649 1214 HG2 MET 56 HG1 MET 56 19.078 15.971 8.977 1215 HG3 MET 56 HG2 MET 56 19.691 16.978 7.655 1216 HE1 MET 56 HE1 MET 56 17.044 18.293 11.185 1217 HE2 MET 56 HE2 MET 56 16.501 17.117 9.961 1218 HE3 MET 56 HE3 MET 56 17.880 16.729 11.017 1219 H LYS 57 H LYS 57 20.344 16.944 5.516 1220 HA LYS 57 HA LYS 57 20.154 19.766 5.043 1221 HB2 LYS 57 HB1 LYS 57 22.157 18.628 5.940 1222 HB3 LYS 57 HB2 LYS 57 22.418 17.885 4.345 1223 HG2 LYS 57 HG1 LYS 57 23.849 19.918 4.862 1224 HG3 LYS 57 HG2 LYS 57 22.927 19.995 3.342 1225 HD2 LYS 57 HD1 LYS 57 21.228 21.382 4.394 1226 HD3 LYS 57 HD2 LYS 57 22.037 21.225 5.972 1227 HE2 LYS 57 HE1 LYS 57 23.973 22.476 5.100 1228 HE3 LYS 57 HE2 LYS 57 23.161 22.637 3.528 1229 HZ1 LYS 57 HZ1 LYS 57 22.838 24.574 4.897 1230 HZ2 LYS 57 HZ2 LYS 57 21.393 23.823 4.634 1231 HZ3 LYS 57 HZ3 LYS 57 22.146 23.674 6.094 1232 H SER 58 H SER 58 19.768 17.027 2.995 1233 HA SER 58 HA SER 58 19.837 18.453 0.486 1234 HB2 SER 58 HB1 SER 58 19.287 15.598 1.261 1235 HB3 SER 58 HB2 SER 58 19.032 16.194 -0.398 1236 HG SER 58 HG SER 58 21.175 15.393 -0.061 1237 H LEU 59 H LEU 59 17.247 17.678 2.813 1238 HA LEU 59 HA LEU 59 15.181 18.881 1.185 1239 HB2 LEU 59 HB1 LEU 59 15.451 18.780 4.209 1240 HB3 LEU 59 HB2 LEU 59 13.966 19.113 3.285 1241 HG LEU 59 HG LEU 59 15.476 16.509 3.512 1242 HD11 LEU 59 HD11 LEU 59 13.376 15.707 4.527 1243 HD12 LEU 59 HD12 LEU 59 14.041 17.101 5.410 1244 HD13 LEU 59 HD13 LEU 59 12.658 17.321 4.311 1245 HD21 LEU 59 HD21 LEU 59 13.809 15.467 2.029 1246 HD22 LEU 59 HD22 LEU 59 13.088 17.062 1.729 1247 HD23 LEU 59 HD23 LEU 59 14.749 16.720 1.189 1248 H ASP 60 H ASP 60 17.243 20.083 3.789 1249 HA ASP 60 HA ASP 60 16.655 22.862 3.697 1250 HB2 ASP 60 HB1 ASP 60 17.630 21.319 5.507 1251 HB3 ASP 60 HB2 ASP 60 19.184 21.516 4.666 1252 H LYS 61 H LYS 61 18.308 21.079 1.382 1253 HA LYS 61 HA LYS 61 20.292 22.963 0.461 1254 HB2 LYS 61 HB1 LYS 61 19.718 20.362 0.029 1255 HB3 LYS 61 HB2 LYS 61 18.860 21.065 -1.365 1256 HG2 LYS 61 HG1 LYS 61 20.913 20.437 -2.232 1257 HG3 LYS 61 HG2 LYS 61 21.093 22.184 -1.939 1258 HD2 LYS 61 HD1 LYS 61 23.121 21.016 -1.319 1259 HD3 LYS 61 HD2 LYS 61 22.340 21.709 0.123 1260 HE2 LYS 61 HE1 LYS 61 23.228 19.571 0.712 1261 HE3 LYS 61 HE2 LYS 61 21.457 19.439 0.668 1262 HZ1 LYS 61 HZ1 LYS 61 22.513 17.538 -0.325 1263 HZ2 LYS 61 HZ2 LYS 61 21.652 18.367 -1.456 1264 HZ3 LYS 61 HZ3 LYS 61 23.296 18.490 -1.416 1265 H ASN 62 H ASN 62 16.881 22.810 0.316 1266 HA ASN 62 HA ASN 62 16.617 24.804 -1.881 1267 HB2 ASN 62 HB1 ASN 62 15.317 22.128 -1.386 1268 HB3 ASN 62 HB2 ASN 62 14.355 23.411 -2.151 1269 HD21 ASN 62 HD21 ASN 62 15.062 24.292 -4.170 1270 HD22 ASN 62 HD22 ASN 62 16.129 23.383 -5.219 1271 H SER 63 H SER 63 14.977 23.260 0.891 1272 HA SER 63 HA SER 63 14.079 23.952 2.735 1273 HB2 SER 63 HB1 SER 63 14.984 25.999 3.819 1274 HB3 SER 63 HB2 SER 63 16.196 24.848 3.202 1275 HG SER 63 HG SER 63 16.727 27.029 2.746 1276 H ASP 64 H ASP 64 13.660 26.746 0.555 1277 HA ASP 64 HA ASP 64 11.381 27.697 2.207 1278 HB2 ASP 64 HB1 ASP 64 13.200 29.117 0.228 1279 HB3 ASP 64 HB2 ASP 64 11.844 29.871 1.094 1280 H GLN 65 H GLN 65 11.025 25.537 0.796 1281 HA GLN 65 HA GLN 65 8.953 26.231 -1.173 1282 HB2 GLN 65 HB1 GLN 65 10.003 23.770 -1.989 1283 HB3 GLN 65 HB2 GLN 65 10.074 25.319 -2.859 1284 HG2 GLN 65 HG1 GLN 65 12.272 24.853 -0.956 1285 HG3 GLN 65 HG2 GLN 65 12.192 23.715 -2.319 1286 HE21 GLN 65 HE12 GLN 65 11.623 27.332 -2.139 1287 HE22 GLN 65 HE22 GLN 65 12.777 27.682 -3.403 1288 H GLU 66 H GLU 66 7.436 24.230 -1.341 1289 HA GLU 66 HA GLU 66 7.233 22.845 1.213 1290 HB2 GLU 66 HB1 GLU 66 5.609 22.777 -1.334 1291 HB3 GLU 66 HB2 GLU 66 5.330 21.619 -0.013 1292 HG2 GLU 66 HG1 GLU 66 5.012 23.531 1.558 1293 HG3 GLU 66 HG2 GLU 66 5.217 24.656 0.199 1294 H ILE 67 H ILE 67 7.062 20.570 1.370 1295 HA ILE 67 HA ILE 67 8.277 18.787 -0.686 1296 HB ILE 67 HB ILE 67 8.091 18.552 2.357 1297 HG12 ILE 67 HG13 ILE 67 10.451 18.481 0.450 1298 HG13 ILE 67 HG12 ILE 67 9.964 19.873 1.445 1299 HG21 ILE 67 HG21 ILE 67 9.034 16.282 2.117 1300 HG22 ILE 67 HG22 ILE 67 7.444 16.409 1.328 1301 HG23 ILE 67 HG23 ILE 67 8.928 16.423 0.346 1302 HD11 ILE 67 HD11 ILE 67 11.869 18.675 2.462 1303 HD12 ILE 67 HD12 ILE 67 10.419 18.577 3.484 1304 HD13 ILE 67 HD13 ILE 67 10.906 17.183 2.490 1305 H ASP 68 H ASP 68 6.875 17.077 -1.340 1306 HA ASP 68 HA ASP 68 4.221 16.935 -0.056 1307 HB2 ASP 68 HB1 ASP 68 3.356 16.452 -2.030 1308 HB3 ASP 68 HB2 ASP 68 4.940 16.862 -2.724 1309 H PHE 69 H PHE 69 3.227 14.800 0.265 1310 HA PHE 69 HA PHE 69 4.674 13.398 2.227 1311 HB2 PHE 69 HB1 PHE 69 2.079 13.689 1.536 1312 HB3 PHE 69 HB2 PHE 69 2.365 12.048 0.931 1313 HD1 PHE 69 HD1 PHE 69 3.149 10.246 2.566 1314 HD2 PHE 69 HD2 PHE 69 1.854 14.144 3.855 1315 HE1 PHE 69 HE1 PHE 69 2.723 9.350 4.842 1316 HE2 PHE 69 HE2 PHE 69 1.431 13.250 6.133 1317 HZ PHE 69 HZ PHE 69 1.843 10.847 6.623 1318 H LYS 70 H LYS 70 4.837 12.858 -1.242 1319 HA LYS 70 HA LYS 70 5.571 10.047 -1.022 1320 HB2 LYS 70 HB1 LYS 70 5.778 12.041 -3.295 1321 HB3 LYS 70 HB2 LYS 70 6.139 10.302 -3.430 1322 HG2 LYS 70 HG1 LYS 70 3.873 9.698 -3.123 1323 HG3 LYS 70 HG2 LYS 70 3.440 11.307 -2.497 1324 HD2 LYS 70 HD1 LYS 70 3.759 12.325 -4.675 1325 HD3 LYS 70 HD2 LYS 70 4.490 10.839 -5.326 1326 HE2 LYS 70 HE1 LYS 70 2.454 9.650 -5.230 1327 HE3 LYS 70 HE2 LYS 70 1.728 10.808 -4.094 1328 HZ1 LYS 70 HZ1 LYS 70 0.842 11.051 -6.300 1329 HZ2 LYS 70 HZ2 LYS 70 1.668 12.411 -5.867 1330 HZ3 LYS 70 HZ3 LYS 70 2.342 11.335 -6.921 1331 H GLU 71 H GLU 71 7.420 13.116 -1.790 1332 HA GLU 71 HA GLU 71 10.010 12.068 -1.655 1333 HB2 GLU 71 HB1 GLU 71 9.225 14.528 -0.086 1334 HB3 GLU 71 HB2 GLU 71 10.816 14.120 -0.772 1335 HG2 GLU 71 HG1 GLU 71 9.661 14.424 -3.067 1336 HG3 GLU 71 HG2 GLU 71 8.391 15.258 -2.146 1337 H TYR 72 H TYR 72 7.644 12.719 0.951 1338 HA TYR 72 HA TYR 72 9.542 12.301 3.083 1339 HB2 TYR 72 HB1 TYR 72 7.616 13.758 3.334 1340 HB3 TYR 72 HB2 TYR 72 6.515 12.397 3.058 1341 HD1 TYR 72 HD2 TYR 72 9.580 12.623 5.239 1342 HD2 TYR 72 HD1 TYR 72 5.310 12.078 5.013 1343 HE1 TYR 72 HE2 TYR 72 9.497 12.301 7.703 1344 HE2 TYR 72 HE1 TYR 72 5.224 11.742 7.478 1345 HH TYR 72 HH TYR 72 8.178 11.961 9.513 1346 H SER 73 H SER 73 7.035 10.246 1.569 1347 HA SER 73 HA SER 73 7.375 7.976 3.219 1348 HB2 SER 73 HB1 SER 73 5.483 8.412 1.630 1349 HB3 SER 73 HB2 SER 73 6.582 8.012 0.288 1350 HG SER 73 HG SER 73 5.391 6.195 1.036 1351 H VAL 74 H VAL 74 9.102 8.816 0.103 1352 HA VAL 74 HA VAL 74 10.725 6.462 0.296 1353 HB VAL 74 HB VAL 74 12.240 7.397 -1.320 1354 HG11 VAL 74 HG11 VAL 74 10.663 7.564 -3.211 1355 HG12 VAL 74 HG12 VAL 74 10.186 6.292 -2.066 1356 HG13 VAL 74 HG13 VAL 74 9.335 7.855 -2.068 1357 HG21 VAL 74 HG21 VAL 74 11.897 9.556 -2.453 1358 HG22 VAL 74 HG22 VAL 74 10.611 9.943 -1.295 1359 HG23 VAL 74 HG23 VAL 74 12.291 9.760 -0.737 1360 H PHE 75 H PHE 75 11.178 9.758 1.617 1361 HA PHE 75 HA PHE 75 13.864 9.462 2.514 1362 HB2 PHE 75 HB1 PHE 75 12.396 11.527 2.282 1363 HB3 PHE 75 HB2 PHE 75 11.592 11.028 3.781 1364 HD1 PHE 75 HD2 PHE 75 13.216 10.707 5.889 1365 HD2 PHE 75 HD1 PHE 75 14.112 13.005 2.361 1366 HE1 PHE 75 HE2 PHE 75 14.899 12.015 7.163 1367 HE2 PHE 75 HE1 PHE 75 15.732 14.353 3.659 1368 HZ PHE 75 HZ PHE 75 16.158 13.847 6.051 1369 H LEU 76 H LEU 76 10.736 8.829 4.235 1370 HA LEU 76 HA LEU 76 11.875 7.832 6.641 1371 HB2 LEU 76 HB1 LEU 76 9.242 7.375 5.207 1372 HB3 LEU 76 HB2 LEU 76 9.605 6.647 6.790 1373 HG LEU 76 HG LEU 76 9.540 9.636 6.233 1374 HD11 LEU 76 HD11 LEU 76 7.358 9.528 7.400 1375 HD12 LEU 76 HD12 LEU 76 7.344 8.530 5.924 1376 HD13 LEU 76 HD13 LEU 76 7.504 7.755 7.519 1377 HD21 LEU 76 HD21 LEU 76 9.518 9.839 8.697 1378 HD22 LEU 76 HD22 LEU 76 9.667 8.073 8.844 1379 HD23 LEU 76 HD23 LEU 76 10.994 9.021 8.131 1380 H THR 77 H THR 77 10.836 6.163 3.632 1381 HA THR 77 HA THR 77 11.353 3.527 4.641 1382 HB THR 77 HB THR 77 11.035 4.460 1.771 1383 HG1 THR 77 HG1 THR 77 8.889 3.741 2.188 1384 HG21 THR 77 HG21 THR 77 10.386 2.097 1.385 1385 HG22 THR 77 HG22 THR 77 12.057 2.207 1.986 1386 HG23 THR 77 HG23 THR 77 10.745 1.722 3.087 1387 H MET 78 H MET 78 13.292 5.782 2.691 1388 HA MET 78 HA MET 78 15.625 4.237 2.329 1389 HB2 MET 78 HB1 MET 78 15.187 6.281 1.141 1390 HB3 MET 78 HB2 MET 78 15.117 7.208 2.659 1391 HG2 MET 78 HG1 MET 78 17.422 7.161 2.944 1392 HG3 MET 78 HG2 MET 78 17.634 5.785 1.848 1393 HE1 MET 78 HE1 MET 78 16.331 9.922 0.135 1394 HE2 MET 78 HE2 MET 78 15.230 8.704 0.814 1395 HE3 MET 78 HE3 MET 78 16.346 9.589 1.880 1396 H LEU 79 H LEU 79 14.873 6.559 5.029 1397 HA LEU 79 HA LEU 79 17.257 5.953 6.474 1398 HB2 LEU 79 HB1 LEU 79 15.290 7.829 6.701 1399 HB3 LEU 79 HB2 LEU 79 14.907 6.764 8.074 1400 HG LEU 79 HG LEU 79 16.291 8.504 8.877 1401 HD11 LEU 79 HD11 LEU 79 18.322 7.414 9.743 1402 HD12 LEU 79 HD12 LEU 79 16.904 6.353 9.845 1403 HD13 LEU 79 HD13 LEU 79 18.111 6.107 8.562 1404 HD21 LEU 79 HD21 LEU 79 18.484 9.095 7.902 1405 HD22 LEU 79 HD22 LEU 79 18.254 7.855 6.648 1406 HD23 LEU 79 HD23 LEU 79 17.171 9.264 6.716 1407 H CYS 80 H CYS 80 14.045 4.369 6.474 1408 HA CYS 80 HA CYS 80 14.533 2.662 8.699 1409 HB2 CYS 80 HB1 CYS 80 12.348 3.145 7.506 1410 HB3 CYS 80 HB2 CYS 80 12.884 2.015 6.237 1411 HG CYS 80 HG CYS 80 11.178 0.822 7.826 1412 H MET 81 H MET 81 15.257 2.122 5.161 1413 HA MET 81 HA MET 81 16.510 -0.394 5.772 1414 HB2 MET 81 HB1 MET 81 17.199 -0.487 3.470 1415 HB3 MET 81 HB2 MET 81 15.468 -0.124 3.669 1416 HG2 MET 81 HG1 MET 81 15.811 2.162 3.034 1417 HG3 MET 81 HG2 MET 81 17.570 1.952 3.031 1418 HE1 MET 81 HE1 MET 81 15.121 -0.658 0.098 1419 HE2 MET 81 HE2 MET 81 15.602 -1.085 1.756 1420 HE3 MET 81 HE3 MET 81 14.352 0.154 1.481 1421 H ALA 82 H ALA 82 17.749 2.878 5.827 1422 HA ALA 82 HA ALA 82 20.506 2.201 5.848 1423 HB1 ALA 82 HB1 ALA 82 20.794 4.398 6.927 1424 HB2 ALA 82 HB2 ALA 82 19.657 4.481 5.560 1425 HB3 ALA 82 HB3 ALA 82 19.042 4.476 7.231 1426 H TYR 83 H TYR 83 18.129 1.256 8.194 1427 HA TYR 83 HA TYR 83 20.316 0.048 9.637 1428 HB2 TYR 83 HB1 TYR 83 19.984 0.898 11.770 1429 HB3 TYR 83 HB2 TYR 83 20.084 2.270 10.655 1430 HD1 TYR 83 HD1 TYR 83 18.153 3.777 10.312 1431 HD2 TYR 83 HD2 TYR 83 18.023 0.458 13.061 1432 HE1 TYR 83 HE1 TYR 83 16.263 4.843 11.517 1433 HE2 TYR 83 HE2 TYR 83 16.106 1.504 14.247 1434 HH TYR 83 HH TYR 83 14.697 3.286 14.364 1435 H ASN 84 H ASN 84 17.389 -0.593 8.367 1436 HA ASN 84 HA ASN 84 16.380 -2.340 10.458 1437 HB2 ASN 84 HB1 ASN 84 14.738 -1.356 9.053 1438 HB3 ASN 84 HB2 ASN 84 15.592 -1.846 7.575 1439 HD21 ASN 84 HD21 ASN 84 13.918 -3.078 6.676 1440 HD22 ASN 84 HD22 ASN 84 13.351 -4.580 7.387 1441 H ASP 85 H ASP 85 17.602 -4.016 11.001 1442 HA ASP 85 HA ASP 85 17.630 -6.220 8.994 1443 HB2 ASP 85 HB1 ASP 85 19.463 -5.594 11.322 1444 HB3 ASP 85 HB2 ASP 85 19.303 -7.252 10.702 1445 H PHE 86 H PHE 86 16.137 -4.968 11.805 1446 HA PHE 86 HA PHE 86 15.384 -7.315 13.213 1447 HB2 PHE 86 HB1 PHE 86 13.854 -4.704 12.951 1448 HB3 PHE 86 HB2 PHE 86 13.793 -5.853 14.298 1449 HD1 PHE 86 HD2 PHE 86 16.136 -6.289 15.503 1450 HD2 PHE 86 HD1 PHE 86 15.194 -2.809 13.145 1451 HE1 PHE 86 HE2 PHE 86 17.956 -5.032 16.632 1452 HE2 PHE 86 HE1 PHE 86 17.015 -1.550 14.276 1453 HZ PHE 86 HZ PHE 86 18.398 -2.660 16.020 1454 H PHE 87 H PHE 87 14.285 -6.153 10.164 1455 HA PHE 87 HA PHE 87 12.044 -8.094 10.165 1456 HB2 PHE 87 HB1 PHE 87 12.171 -5.638 8.417 1457 HB3 PHE 87 HB2 PHE 87 10.784 -6.684 8.760 1458 HD1 PHE 87 HD2 PHE 87 10.359 -6.820 11.539 1459 HD2 PHE 87 HD1 PHE 87 11.982 -3.519 9.307 1460 HE1 PHE 87 HE2 PHE 87 9.749 -5.265 13.377 1461 HE2 PHE 87 HE1 PHE 87 11.436 -1.980 11.172 1462 HZ PHE 87 HZ PHE 87 10.292 -2.846 13.203 1463 H LEU 88 H LEU 88 14.800 -8.743 9.640 1464 HA LEU 88 HA LEU 88 14.383 -9.983 6.965 1465 HB2 LEU 88 HB1 LEU 88 16.815 -8.658 8.132 1466 HB3 LEU 88 HB2 LEU 88 17.035 -10.073 7.075 1467 HG LEU 88 HG LEU 88 15.450 -7.606 6.290 1468 HD11 LEU 88 HD11 LEU 88 17.436 -6.959 4.945 1469 HD12 LEU 88 HD12 LEU 88 17.827 -7.022 6.679 1470 HD13 LEU 88 HD13 LEU 88 18.329 -8.349 5.603 1471 HD21 LEU 88 HD21 LEU 88 15.730 -8.467 3.975 1472 HD22 LEU 88 HD22 LEU 88 16.609 -9.874 4.609 1473 HD23 LEU 88 HD23 LEU 88 14.887 -9.646 5.001 1474 H GLU 89 H GLU 89 15.913 -12.062 6.879 1475 HA GLU 89 HA GLU 89 15.584 -13.739 9.250 1476 HB2 GLU 89 HB1 GLU 89 16.291 -13.993 6.404 1477 HB3 GLU 89 HB2 GLU 89 17.330 -14.995 7.445 1478 HG2 GLU 89 HG1 GLU 89 15.337 -16.205 6.605 1479 HG3 GLU 89 HG2 GLU 89 15.406 -16.118 8.378 1480 H ASP 90 H ASP 90 17.860 -11.589 8.100 1481 HA ASP 90 HA ASP 90 19.875 -10.881 9.267 1482 HB2 ASP 90 HB1 ASP 90 20.186 -12.993 10.543 1483 HB3 ASP 90 HB2 ASP 90 20.755 -13.766 9.047 1484 H ASN 91 H ASN 91 22.217 -12.016 7.645 1485 HA ASN 91 HA ASN 91 22.931 -12.849 5.686 1486 HB2 ASN 91 HB1 ASN 91 20.665 -14.038 5.674 1487 HB3 ASN 91 HB2 ASN 91 20.134 -12.778 4.538 1488 HD21 ASN 91 HD21 ASN 91 21.162 -12.685 2.413 1489 HD22 ASN 91 HD22 ASN 91 21.982 -14.098 1.765 1490 H LYS 92 H LYS 92 20.507 -10.316 5.157 1491 HA LYS 92 HA LYS 92 20.248 -8.588 3.792 1492 HB2 LYS 92 HB1 LYS 92 23.101 -8.963 2.890 1493 HB3 LYS 92 HB2 LYS 92 22.023 -7.650 2.360 1494 HG2 LYS 92 HG1 LYS 92 22.957 -8.165 5.207 1495 HG3 LYS 92 HG2 LYS 92 23.550 -6.887 4.117 1496 HD2 LYS 92 HD1 LYS 92 21.195 -5.977 4.030 1497 HD3 LYS 92 HD2 LYS 92 20.749 -7.162 5.281 1498 HE2 LYS 92 HE1 LYS 92 22.556 -6.177 6.744 1499 HE3 LYS 92 HE2 LYS 92 22.782 -4.910 5.520 1500 HZ1 LYS 92 HZ1 LYS 92 21.299 -4.211 7.257 1501 HZ2 LYS 92 HZ2 LYS 92 20.489 -4.296 5.822 1502 HZ3 LYS 92 HZ3 LYS 92 20.277 -5.472 6.958 Start of MODEL 19 1 HA MET 1 HA MET 1 13.023 4.711 23.834 2 HB2 MET 1 HB1 MET 1 14.052 6.811 22.438 3 HB3 MET 1 HB2 MET 1 12.628 6.446 21.435 4 HG2 MET 1 HG1 MET 1 11.212 6.510 23.494 5 HG3 MET 1 HG2 MET 1 12.640 6.970 24.437 6 HE1 MET 1 HE1 MET 1 9.743 9.925 23.422 7 HE2 MET 1 HE2 MET 1 9.506 8.218 22.987 8 HE3 MET 1 HE3 MET 1 10.004 8.656 24.638 9 H GLU 2 H GLU 2 10.570 4.939 22.714 10 HA GLU 2 HA GLU 2 10.697 4.229 19.868 11 HB2 GLU 2 HB1 GLU 2 8.521 2.951 20.090 12 HB3 GLU 2 HB2 GLU 2 10.008 2.118 20.602 13 HG2 GLU 2 HG1 GLU 2 9.440 2.337 22.919 14 HG3 GLU 2 HG2 GLU 2 8.127 3.480 22.563 15 H THR 3 H THR 3 9.286 5.510 18.677 16 HA THR 3 HA THR 3 7.324 7.204 20.129 17 HB THR 3 HB THR 3 7.847 9.128 18.850 18 HG1 THR 3 HG1 THR 3 9.448 9.033 17.227 19 HG21 THR 3 HG21 THR 3 10.209 9.587 19.416 20 HG22 THR 3 HG22 THR 3 9.373 8.759 20.747 21 HG23 THR 3 HG23 THR 3 10.478 7.851 19.688 22 HA PRO 4 HA PRO 4 4.512 5.513 17.568 23 HB2 PRO 4 HB1 PRO 4 2.488 7.310 17.125 24 HB3 PRO 4 HB2 PRO 4 2.913 6.636 18.732 25 HG2 PRO 4 HG1 PRO 4 3.739 9.281 17.549 26 HG3 PRO 4 HG2 PRO 4 3.124 8.952 19.201 27 HD2 PRO 4 HD1 PRO 4 5.801 9.203 18.628 28 HD3 PRO 4 HD2 PRO 4 5.203 8.071 19.879 29 H LEU 5 H LEU 5 5.935 8.285 15.760 30 HA LEU 5 HA LEU 5 4.713 7.530 13.288 31 HB2 LEU 5 HB1 LEU 5 5.907 9.634 13.591 32 HB3 LEU 5 HB2 LEU 5 7.442 8.745 13.744 33 HG LEU 5 HG LEU 5 7.385 8.083 11.448 34 HD11 LEU 5 HD11 LEU 5 5.585 8.723 9.865 35 HD12 LEU 5 HD12 LEU 5 4.969 7.659 11.148 36 HD13 LEU 5 HD13 LEU 5 4.653 9.408 11.213 37 HD21 LEU 5 HD21 LEU 5 7.428 10.314 10.347 38 HD22 LEU 5 HD22 LEU 5 6.526 11.004 11.717 39 HD23 LEU 5 HD23 LEU 5 8.176 10.381 11.960 40 H GLU 6 H GLU 6 7.741 6.261 14.864 41 HA GLU 6 HA GLU 6 8.270 4.371 12.807 42 HB2 GLU 6 HB1 GLU 6 9.968 4.863 14.392 43 HB3 GLU 6 HB2 GLU 6 8.940 4.351 15.751 44 HG2 GLU 6 HG1 GLU 6 10.781 2.753 15.135 45 HG3 GLU 6 HG2 GLU 6 9.148 2.052 15.166 46 H LYS 7 H LYS 7 5.905 4.167 15.549 47 HA LYS 7 HA LYS 7 5.313 1.431 15.142 48 HB2 LYS 7 HB1 LYS 7 3.455 3.645 16.031 49 HB3 LYS 7 HB2 LYS 7 3.128 1.901 16.167 50 HG2 LYS 7 HG1 LYS 7 5.376 3.414 17.535 51 HG3 LYS 7 HG2 LYS 7 3.878 2.833 18.300 52 HD2 LYS 7 HD1 LYS 7 4.585 0.474 17.586 53 HD3 LYS 7 HD2 LYS 7 6.172 1.174 17.187 54 HE2 LYS 7 HE1 LYS 7 6.340 2.108 19.458 55 HE3 LYS 7 HE2 LYS 7 4.746 1.434 19.860 56 HZ1 LYS 7 HZ1 LYS 7 6.521 0.083 20.710 57 HZ2 LYS 7 HZ2 LYS 7 5.667 -0.747 19.574 58 HZ3 LYS 7 HZ3 LYS 7 7.146 -0.123 19.200 59 H ALA 8 H ALA 8 4.344 4.207 13.103 60 HA ALA 8 HA ALA 8 2.545 2.665 11.466 61 HB1 ALA 8 HB1 ALA 8 2.809 4.528 9.862 62 HB2 ALA 8 HB2 ALA 8 2.529 5.130 11.512 63 HB3 ALA 8 HB3 ALA 8 4.168 5.157 10.819 64 H LEU 9 H LEU 9 6.041 3.469 11.164 65 HA LEU 9 HA LEU 9 6.536 2.111 8.723 66 HB2 LEU 9 HB1 LEU 9 8.231 2.980 11.050 67 HB3 LEU 9 HB2 LEU 9 8.930 1.999 9.740 68 HG LEU 9 HG LEU 9 9.454 4.344 9.489 69 HD11 LEU 9 HD11 LEU 9 8.756 4.663 7.140 70 HD12 LEU 9 HD12 LEU 9 9.234 2.982 7.463 71 HD13 LEU 9 HD13 LEU 9 7.510 3.414 7.350 72 HD21 LEU 9 HD21 LEU 9 7.761 6.057 8.944 73 HD22 LEU 9 HD22 LEU 9 6.477 4.862 9.212 74 HD23 LEU 9 HD23 LEU 9 7.513 5.378 10.564 75 H THR 10 H THR 10 7.288 0.969 12.079 76 HA THR 10 HA THR 10 7.770 -1.699 11.802 77 HB THR 10 HB THR 10 6.065 -0.205 13.809 78 HG1 THR 10 HG1 THR 10 7.953 -0.543 15.085 79 HG21 THR 10 HG21 THR 10 6.339 -2.131 15.366 80 HG22 THR 10 HG22 THR 10 5.420 -2.601 13.923 81 HG23 THR 10 HG23 THR 10 7.136 -3.048 14.072 82 H THR 11 H THR 11 4.446 -0.259 11.883 83 HA THR 11 HA THR 11 3.123 -2.779 11.559 84 HB THR 11 HB THR 11 2.104 0.026 11.032 85 HG1 THR 11 HG1 THR 11 1.220 -0.350 13.130 86 HG21 THR 11 HG21 THR 11 -0.152 -0.967 11.366 87 HG22 THR 11 HG22 THR 11 0.660 -1.687 9.957 88 HG23 THR 11 HG23 THR 11 0.586 -2.578 11.496 89 H MET 12 H MET 12 3.927 -0.199 9.134 90 HA MET 12 HA MET 12 2.949 -1.528 6.858 91 HB2 MET 12 HB1 MET 12 5.320 0.323 7.213 92 HB3 MET 12 HB2 MET 12 4.812 -0.302 5.625 93 HG2 MET 12 HG1 MET 12 2.644 0.824 5.867 94 HG3 MET 12 HG2 MET 12 3.125 1.428 7.462 95 HE1 MET 12 HE1 MET 12 3.183 4.368 4.577 96 HE2 MET 12 HE2 MET 12 2.307 2.832 4.393 97 HE3 MET 12 HE3 MET 12 2.221 3.726 5.928 98 H VAL 13 H VAL 13 6.289 -1.727 8.284 99 HA VAL 13 HA VAL 13 7.205 -3.470 6.212 100 HB VAL 13 HB VAL 13 9.196 -3.889 7.535 101 HG11 VAL 13 HG11 VAL 13 10.053 -1.572 7.524 102 HG12 VAL 13 HG12 VAL 13 9.037 -1.905 6.103 103 HG13 VAL 13 HG13 VAL 13 8.385 -0.961 7.465 104 HG21 VAL 13 HG21 VAL 13 9.639 -2.772 9.678 105 HG22 VAL 13 HG22 VAL 13 7.962 -2.191 9.711 106 HG23 VAL 13 HG23 VAL 13 8.303 -3.935 9.799 107 H THR 14 H THR 14 5.921 -4.129 9.503 108 HA THR 14 HA THR 14 6.167 -6.942 9.487 109 HB THR 14 HB THR 14 3.922 -5.238 10.634 110 HG1 THR 14 HG1 THR 14 5.197 -5.506 12.533 111 HG21 THR 14 HG21 THR 14 3.585 -7.134 12.209 112 HG22 THR 14 HG22 THR 14 3.310 -7.644 10.530 113 HG23 THR 14 HG23 THR 14 4.835 -8.061 11.350 114 H THR 15 H THR 15 3.590 -4.838 8.157 115 HA THR 15 HA THR 15 1.872 -7.041 7.446 116 HB THR 15 HB THR 15 1.737 -4.100 6.707 117 HG1 THR 15 HG1 THR 15 0.335 -4.126 8.541 118 HG21 THR 15 HG21 THR 15 -0.698 -4.504 6.476 119 HG22 THR 15 HG22 THR 15 0.225 -5.482 5.315 120 HG23 THR 15 HG23 THR 15 -0.436 -6.233 6.788 121 H PHE 16 H PHE 16 4.246 -5.125 5.658 122 HA PHE 16 HA PHE 16 3.777 -6.297 3.067 123 HB2 PHE 16 HB1 PHE 16 4.858 -4.133 3.541 124 HB3 PHE 16 HB2 PHE 16 6.169 -4.969 4.391 125 HD1 PHE 16 HD1 PHE 16 7.755 -6.433 3.077 126 HD2 PHE 16 HD2 PHE 16 4.928 -3.796 1.184 127 HE1 PHE 16 HE1 PHE 16 9.153 -6.393 1.032 128 HE2 PHE 16 HE2 PHE 16 6.394 -3.659 -0.818 129 HZ PHE 16 HZ PHE 16 8.532 -4.927 -0.876 130 H HIS 17 H HIS 17 6.256 -6.941 5.609 131 HA HIS 17 HA HIS 17 7.601 -9.061 4.290 132 HB2 HIS 17 HB1 HIS 17 8.403 -7.571 6.101 133 HB3 HIS 17 HB2 HIS 17 7.320 -8.400 7.234 134 HD1 HIS 17 HD1 HIS 17 9.962 -8.418 8.352 135 HD2 HIS 17 HD2 HIS 17 8.944 -11.123 5.304 136 HE1 HIS 17 HE1 HIS 17 11.639 -10.340 8.495 137 HE2 HIS 17 HE2 HIS 17 11.013 -12.029 6.672 138 H LYS 18 H LYS 18 4.748 -9.114 6.396 139 HA LYS 18 HA LYS 18 4.257 -11.779 6.900 140 HB2 LYS 18 HB1 LYS 18 3.034 -9.750 7.625 141 HB3 LYS 18 HB2 LYS 18 2.343 -9.606 5.990 142 HG2 LYS 18 HG1 LYS 18 1.061 -11.654 6.322 143 HG3 LYS 18 HG2 LYS 18 1.800 -11.883 7.925 144 HD2 LYS 18 HD1 LYS 18 0.927 -9.600 8.577 145 HD3 LYS 18 HD2 LYS 18 0.063 -9.542 7.023 146 HE2 LYS 18 HE1 LYS 18 -1.506 -10.230 8.712 147 HE3 LYS 18 HE2 LYS 18 -1.145 -11.644 7.699 148 HZ1 LYS 18 HZ1 LYS 18 -1.120 -12.191 10.029 149 HZ2 LYS 18 HZ2 LYS 18 0.388 -12.383 9.386 150 HZ3 LYS 18 HZ3 LYS 18 0.053 -11.071 10.327 151 H TYR 19 H TYR 19 4.278 -10.369 3.713 152 HA TYR 19 HA TYR 19 3.059 -12.812 2.533 153 HB2 TYR 19 HB1 TYR 19 3.256 -9.933 1.605 154 HB3 TYR 19 HB2 TYR 19 2.796 -11.256 0.520 155 HD1 TYR 19 HD1 TYR 19 1.780 -9.574 3.736 156 HD2 TYR 19 HD2 TYR 19 0.578 -11.976 0.387 157 HE1 TYR 19 HE1 TYR 19 -0.588 -9.410 4.473 158 HE2 TYR 19 HE2 TYR 19 -1.808 -11.676 1.004 159 HH TYR 19 HH TYR 19 -3.284 -10.730 2.499 160 H SER 20 H SER 20 6.059 -11.465 3.148 161 HA SER 20 HA SER 20 7.349 -12.279 0.603 162 HB2 SER 20 HB1 SER 20 8.449 -10.734 2.997 163 HB3 SER 20 HB2 SER 20 9.265 -10.980 1.434 164 HG SER 20 HG SER 20 8.260 -8.926 1.600 165 H GLY 21 H GLY 21 7.770 -12.595 4.178 166 HA2 GLY 21 HA2 GLY 21 9.464 -14.486 3.436 167 H ARG 22 H ARG 22 6.968 -15.131 3.363 168 HA ARG 22 HA ARG 22 6.843 -17.854 4.102 169 HB2 ARG 22 HB1 ARG 22 6.155 -16.512 1.469 170 HB3 ARG 22 HB2 ARG 22 5.524 -18.070 2.055 171 HG2 ARG 22 HG1 ARG 22 4.100 -16.980 3.650 172 HG3 ARG 22 HG2 ARG 22 4.870 -15.403 3.353 173 HD2 ARG 22 HD1 ARG 22 4.268 -15.520 0.965 174 HD3 ARG 22 HD2 ARG 22 3.594 -17.148 1.189 175 HE ARG 22 HE ARG 22 2.160 -15.522 2.931 176 HH11 ARG 22 HH12 ARG 22 2.763 -15.860 -0.533 177 HH12 ARG 22 HH11 ARG 22 1.304 -15.029 -1.002 178 HH21 ARG 22 HH22 ARG 22 0.290 -14.319 2.211 179 HH22 ARG 22 HH21 ARG 22 -0.055 -14.183 0.508 180 H GLU 23 H GLU 23 8.381 -16.227 1.271 181 HA GLU 23 HA GLU 23 9.399 -18.850 0.305 182 HB2 GLU 23 HB1 GLU 23 8.261 -16.459 -1.161 183 HB3 GLU 23 HB2 GLU 23 9.284 -17.661 -1.982 184 HG2 GLU 23 HG1 GLU 23 7.219 -18.463 -2.523 185 HG3 GLU 23 HG2 GLU 23 7.513 -19.360 -1.018 186 H GLY 24 H GLY 24 10.282 -15.492 1.092 187 HA2 GLY 24 HA2 GLY 24 12.234 -15.553 1.704 188 H SER 25 H SER 25 12.847 -13.628 -0.999 189 HA SER 25 HA SER 25 14.438 -11.889 0.243 190 HB2 SER 25 HB1 SER 25 12.229 -10.899 -1.563 191 HB3 SER 25 HB2 SER 25 13.927 -10.371 -1.485 192 HG SER 25 HG SER 25 13.477 -11.652 -3.339 193 H LYS 26 H LYS 26 14.216 -11.017 2.352 194 HA LYS 26 HA LYS 26 11.555 -10.718 3.414 195 HB2 LYS 26 HB1 LYS 26 14.272 -9.908 4.492 196 HB3 LYS 26 HB2 LYS 26 12.763 -9.920 5.437 197 HG2 LYS 26 HG1 LYS 26 12.761 -12.191 5.667 198 HG3 LYS 26 HG2 LYS 26 13.472 -12.465 4.058 199 HD2 LYS 26 HD1 LYS 26 15.046 -11.413 6.439 200 HD3 LYS 26 HD2 LYS 26 14.948 -13.136 6.001 201 HE2 LYS 26 HE1 LYS 26 15.874 -12.624 3.766 202 HE3 LYS 26 HE2 LYS 26 15.959 -10.902 4.189 203 HZ1 LYS 26 HZ1 LYS 26 18.067 -11.983 4.445 204 HZ2 LYS 26 HZ2 LYS 26 17.514 -11.464 5.908 205 HZ3 LYS 26 HZ3 LYS 26 17.436 -13.064 5.515 206 H LEU 27 H LEU 27 13.556 -8.488 1.713 207 HA LEU 27 HA LEU 27 12.053 -6.140 2.628 208 HB2 LEU 27 HB1 LEU 27 13.741 -4.806 1.667 209 HB3 LEU 27 HB2 LEU 27 14.539 -6.126 2.556 210 HG LEU 27 HG LEU 27 14.224 -5.990 -0.455 211 HD11 LEU 27 HD11 LEU 27 16.632 -5.404 -0.445 212 HD12 LEU 27 HD12 LEU 27 15.670 -4.199 0.444 213 HD13 LEU 27 HD13 LEU 27 16.624 -5.409 1.335 214 HD21 LEU 27 HD21 LEU 27 15.907 -7.800 -0.524 215 HD22 LEU 27 HD22 LEU 27 15.911 -7.858 1.251 216 HD23 LEU 27 HD23 LEU 27 14.443 -8.305 0.348 217 H THR 28 H THR 28 11.576 -8.412 0.198 218 HA THR 28 HA THR 28 10.160 -6.451 -1.501 219 HB THR 28 HB THR 28 10.977 -7.880 -3.508 220 HG1 THR 28 HG1 THR 28 13.106 -8.657 -3.157 221 HG21 THR 28 HG21 THR 28 13.001 -6.480 -3.838 222 HG22 THR 28 HG22 THR 28 11.647 -5.518 -3.212 223 HG23 THR 28 HG23 THR 28 12.956 -6.032 -2.122 224 H LEU 29 H LEU 29 8.689 -7.529 -3.100 225 HA LEU 29 HA LEU 29 8.091 -10.312 -3.039 226 HB2 LEU 29 HB1 LEU 29 5.926 -10.449 -2.216 227 HB3 LEU 29 HB2 LEU 29 6.824 -9.517 -0.995 228 HG LEU 29 HG LEU 29 4.913 -8.352 -3.046 229 HD11 LEU 29 HD11 LEU 29 3.418 -8.013 -1.097 230 HD12 LEU 29 HD12 LEU 29 3.781 -9.739 -1.337 231 HD13 LEU 29 HD13 LEU 29 4.601 -8.828 -0.049 232 HD21 LEU 29 HD21 LEU 29 5.099 -6.277 -1.715 233 HD22 LEU 29 HD22 LEU 29 6.298 -7.061 -0.664 234 HD23 LEU 29 HD23 LEU 29 6.676 -6.762 -2.377 235 H SER 30 H SER 30 6.030 -10.731 -4.550 236 HA SER 30 HA SER 30 6.779 -9.408 -6.990 237 HB2 SER 30 HB1 SER 30 5.233 -10.902 -8.099 238 HB3 SER 30 HB2 SER 30 6.181 -11.803 -6.893 239 HG SER 30 HG SER 30 3.942 -12.336 -6.842 240 H ARG 31 H ARG 31 5.524 -8.183 -8.484 241 HA ARG 31 HA ARG 31 3.887 -6.160 -7.508 242 HB2 ARG 31 HB1 ARG 31 3.084 -7.224 -10.157 243 HB3 ARG 31 HB2 ARG 31 3.397 -5.553 -9.631 244 HG2 ARG 31 HG1 ARG 31 5.697 -7.399 -10.102 245 HG3 ARG 31 HG2 ARG 31 4.832 -6.683 -11.484 246 HD2 ARG 31 HD1 ARG 31 5.951 -5.072 -9.187 247 HD3 ARG 31 HD2 ARG 31 6.853 -5.418 -10.679 248 HE ARG 31 HE ARG 31 4.530 -4.333 -11.620 249 HH11 ARG 31 HH12 ARG 31 6.819 -3.180 -9.189 250 HH12 ARG 31 HH11 ARG 31 6.502 -1.500 -9.532 251 HH21 ARG 31 HH22 ARG 31 4.177 -2.128 -12.019 252 HH22 ARG 31 HH21 ARG 31 5.037 -0.918 -11.101 253 H LYS 32 H LYS 32 2.922 -9.443 -8.571 254 HA LYS 32 HA LYS 32 0.123 -8.931 -8.701 255 HB2 LYS 32 HB1 LYS 32 1.640 -10.932 -9.581 256 HB3 LYS 32 HB2 LYS 32 1.151 -11.667 -8.035 257 HG2 LYS 32 HG1 LYS 32 -0.782 -12.305 -9.046 258 HG3 LYS 32 HG2 LYS 32 -1.233 -10.584 -9.138 259 HD2 LYS 32 HD1 LYS 32 0.039 -10.388 -11.237 260 HD3 LYS 32 HD2 LYS 32 0.419 -12.125 -11.151 261 HE2 LYS 32 HE1 LYS 32 -1.837 -12.724 -11.646 262 HE3 LYS 32 HE2 LYS 32 -2.396 -11.048 -11.446 263 HZ1 LYS 32 HZ1 LYS 32 -2.036 -11.595 -13.747 264 HZ2 LYS 32 HZ2 LYS 32 -0.972 -10.421 -13.279 265 HZ3 LYS 32 HZ3 LYS 32 -0.453 -11.976 -13.465 266 H GLU 33 H GLU 33 2.157 -10.330 -6.051 267 HA GLU 33 HA GLU 33 -0.187 -10.722 -4.389 268 HB2 GLU 33 HB1 GLU 33 1.767 -12.213 -4.331 269 HB3 GLU 33 HB2 GLU 33 2.747 -10.882 -3.671 270 HG2 GLU 33 HG1 GLU 33 2.193 -12.254 -1.841 271 HG3 GLU 33 HG2 GLU 33 1.147 -10.822 -1.717 272 H LEU 34 H LEU 34 2.291 -8.075 -4.627 273 HA LEU 34 HA LEU 34 1.492 -6.802 -2.214 274 HB2 LEU 34 HB1 LEU 34 3.537 -6.278 -3.522 275 HB3 LEU 34 HB2 LEU 34 2.516 -5.500 -4.756 276 HG LEU 34 HG LEU 34 1.719 -3.873 -3.116 277 HD11 LEU 34 HD11 LEU 34 2.662 -3.734 -0.834 278 HD12 LEU 34 HD12 LEU 34 1.790 -5.262 -1.086 279 HD13 LEU 34 HD13 LEU 34 3.569 -5.235 -1.123 280 HD21 LEU 34 HD21 LEU 34 3.826 -2.635 -2.757 281 HD22 LEU 34 HD22 LEU 34 4.750 -4.116 -3.089 282 HD23 LEU 34 HD23 LEU 34 3.772 -3.371 -4.376 283 H LYS 35 H LYS 35 0.147 -6.443 -5.536 284 HA LYS 35 HA LYS 35 -1.916 -4.602 -5.024 285 HB2 LYS 35 HB1 LYS 35 -1.549 -5.137 -7.229 286 HB3 LYS 35 HB2 LYS 35 -1.299 -6.865 -6.881 287 HG2 LYS 35 HG1 LYS 35 -4.014 -5.564 -6.822 288 HG3 LYS 35 HG2 LYS 35 -3.290 -6.224 -8.308 289 HD2 LYS 35 HD1 LYS 35 -3.088 -8.423 -6.850 290 HD3 LYS 35 HD2 LYS 35 -4.396 -7.657 -5.915 291 HE2 LYS 35 HE1 LYS 35 -5.413 -7.194 -8.314 292 HE3 LYS 35 HE2 LYS 35 -4.365 -8.547 -8.791 293 HZ1 LYS 35 HZ1 LYS 35 -6.549 -9.294 -8.162 294 HZ2 LYS 35 HZ2 LYS 35 -5.424 -9.880 -7.106 295 HZ3 LYS 35 HZ3 LYS 35 -6.396 -8.624 -6.663 296 H GLU 36 H GLU 36 -1.638 -7.986 -4.169 297 HA GLU 36 HA GLU 36 -4.480 -8.425 -3.734 298 HB2 GLU 36 HB1 GLU 36 -2.797 -10.024 -4.741 299 HB3 GLU 36 HB2 GLU 36 -2.073 -10.173 -3.122 300 HG2 GLU 36 HG1 GLU 36 -3.513 -12.024 -3.404 301 HG3 GLU 36 HG2 GLU 36 -4.315 -10.902 -2.281 302 H LEU 37 H LEU 37 -1.535 -8.212 -1.673 303 HA LEU 37 HA LEU 37 -2.612 -8.481 0.884 304 HB2 LEU 37 HB1 LEU 37 -0.331 -8.389 0.753 305 HB3 LEU 37 HB2 LEU 37 -0.340 -7.057 -0.428 306 HG LEU 37 HG LEU 37 -0.690 -5.440 1.307 307 HD11 LEU 37 HD11 LEU 37 -0.647 -5.962 3.723 308 HD12 LEU 37 HD12 LEU 37 -2.061 -6.678 2.924 309 HD13 LEU 37 HD13 LEU 37 -0.659 -7.695 3.339 310 HD21 LEU 37 HD21 LEU 37 1.484 -5.706 2.477 311 HD22 LEU 37 HD22 LEU 37 1.506 -7.429 2.035 312 HD23 LEU 37 HD23 LEU 37 1.606 -6.184 0.767 313 H ILE 38 H ILE 38 -2.549 -5.570 -1.166 314 HA ILE 38 HA ILE 38 -3.770 -3.802 0.747 315 HB ILE 38 HB ILE 38 -3.282 -3.593 -2.236 316 HG12 ILE 38 HG13 ILE 38 -1.732 -2.221 -0.014 317 HG13 ILE 38 HG12 ILE 38 -1.314 -3.861 -0.564 318 HG21 ILE 38 HG21 ILE 38 -3.508 -1.133 -1.992 319 HG22 ILE 38 HG22 ILE 38 -5.020 -1.967 -1.579 320 HG23 ILE 38 HG23 ILE 38 -3.960 -1.351 -0.289 321 HD11 ILE 38 HD11 ILE 38 0.064 -2.157 -1.714 322 HD12 ILE 38 HD12 ILE 38 -0.994 -3.009 -2.860 323 HD13 ILE 38 HD13 ILE 38 -1.415 -1.369 -2.311 324 H LYS 39 H LYS 39 -5.169 -6.258 -1.216 325 HA LYS 39 HA LYS 39 -7.843 -5.109 -0.622 326 HB2 LYS 39 HB1 LYS 39 -6.703 -6.842 -2.787 327 HB3 LYS 39 HB2 LYS 39 -8.422 -7.025 -2.362 328 HG2 LYS 39 HG1 LYS 39 -7.015 -4.504 -3.287 329 HG3 LYS 39 HG2 LYS 39 -8.199 -5.469 -4.199 330 HD2 LYS 39 HD1 LYS 39 -8.714 -3.730 -1.767 331 HD3 LYS 39 HD2 LYS 39 -9.276 -3.463 -3.435 332 HE2 LYS 39 HE1 LYS 39 -10.685 -5.473 -3.303 333 HE3 LYS 39 HE2 LYS 39 -10.091 -5.802 -1.662 334 HZ1 LYS 39 HZ1 LYS 39 -12.203 -4.695 -1.637 335 HZ2 LYS 39 HZ2 LYS 39 -11.049 -3.726 -0.968 336 HZ3 LYS 39 HZ3 LYS 39 -11.600 -3.421 -2.491 337 H LYS 40 H LYS 40 -5.699 -7.545 0.415 338 HA LYS 40 HA LYS 40 -7.768 -9.388 1.385 339 HB2 LYS 40 HB1 LYS 40 -4.798 -9.425 1.045 340 HB3 LYS 40 HB2 LYS 40 -5.502 -10.455 2.315 341 HG2 LYS 40 HG1 LYS 40 -7.082 -11.377 0.518 342 HG3 LYS 40 HG2 LYS 40 -6.070 -10.534 -0.680 343 HD2 LYS 40 HD1 LYS 40 -4.122 -11.739 -0.039 344 HD3 LYS 40 HD2 LYS 40 -4.887 -12.330 1.454 345 HE2 LYS 40 HE1 LYS 40 -4.840 -14.215 0.078 346 HE3 LYS 40 HE2 LYS 40 -6.499 -13.603 -0.109 347 HZ1 LYS 40 HZ1 LYS 40 -5.542 -14.227 -2.202 348 HZ2 LYS 40 HZ2 LYS 40 -5.831 -12.606 -2.169 349 HZ3 LYS 40 HZ3 LYS 40 -4.293 -13.173 -1.996 350 H GLU 41 H GLU 41 -5.099 -7.361 2.863 351 HA GLU 41 HA GLU 41 -6.663 -7.514 5.359 352 HB2 GLU 41 HB1 GLU 41 -4.916 -6.584 6.554 353 HB3 GLU 41 HB2 GLU 41 -4.202 -7.771 5.438 354 HG2 GLU 41 HG1 GLU 41 -2.686 -6.015 5.459 355 HG3 GLU 41 HG2 GLU 41 -3.611 -5.773 3.962 356 H LEU 42 H LEU 42 -5.753 -5.017 2.913 357 HA LEU 42 HA LEU 42 -7.377 -3.068 4.334 358 HB2 LEU 42 HB1 LEU 42 -5.320 -2.856 2.423 359 HB3 LEU 42 HB2 LEU 42 -6.790 -2.200 1.662 360 HG LEU 42 HG LEU 42 -5.649 -1.347 4.352 361 HD11 LEU 42 HD11 LEU 42 -5.090 0.766 3.168 362 HD12 LEU 42 HD12 LEU 42 -4.268 -0.624 2.421 363 HD13 LEU 42 HD13 LEU 42 -5.713 0.076 1.652 364 HD21 LEU 42 HD21 LEU 42 -7.315 0.494 4.242 365 HD22 LEU 42 HD22 LEU 42 -7.959 -0.185 2.732 366 HD23 LEU 42 HD23 LEU 42 -8.114 -1.095 4.255 367 H CYS 43 H CYS 43 -9.363 -2.657 4.114 368 HA CYS 43 HA CYS 43 -11.158 -4.256 2.608 369 HB2 CYS 43 HB1 CYS 43 -12.845 -2.641 3.499 370 HB3 CYS 43 HB2 CYS 43 -11.769 -3.345 4.732 371 HG CYS 43 HG CYS 43 -12.289 -0.846 5.328 372 H LEU 44 H LEU 44 -9.545 -1.244 1.756 373 HA LEU 44 HA LEU 44 -11.291 0.369 0.727 374 HB2 LEU 44 HB1 LEU 44 -8.542 0.051 0.332 375 HB3 LEU 44 HB2 LEU 44 -9.245 0.379 -1.269 376 HG LEU 44 HG LEU 44 -10.539 2.286 -0.146 377 HD11 LEU 44 HD11 LEU 44 -9.557 3.250 1.921 378 HD12 LEU 44 HD12 LEU 44 -10.198 1.618 2.210 379 HD13 LEU 44 HD13 LEU 44 -8.445 1.868 2.029 380 HD21 LEU 44 HD21 LEU 44 -8.625 3.852 -0.295 381 HD22 LEU 44 HD22 LEU 44 -7.501 2.476 -0.225 382 HD23 LEU 44 HD23 LEU 44 -8.594 2.663 -1.617 383 H GLY 45 H GLY 45 -13.046 -0.128 0.080 384 HA2 GLY 45 HA2 GLY 45 -13.688 0.355 -1.977 385 H GLU 46 H GLU 46 -14.569 -0.469 0.688 386 HA GLU 46 HA GLU 46 -17.281 0.300 0.665 387 HB2 GLU 46 HB1 GLU 46 -16.963 0.675 3.000 388 HB3 GLU 46 HB2 GLU 46 -15.972 -0.727 2.525 389 HG2 GLU 46 HG1 GLU 46 -15.043 2.070 3.227 390 HG3 GLU 46 HG2 GLU 46 -14.684 0.546 4.069 391 H MET 47 H MET 47 -14.410 2.346 0.256 392 HA MET 47 HA MET 47 -16.264 4.635 -0.162 393 HB2 MET 47 HB1 MET 47 -13.382 4.913 0.694 394 HB3 MET 47 HB2 MET 47 -14.620 6.185 0.564 395 HG2 MET 47 HG1 MET 47 -15.636 5.571 2.568 396 HG3 MET 47 HG2 MET 47 -14.883 3.967 2.575 397 HE1 MET 47 HE1 MET 47 -11.238 4.558 3.622 398 HE2 MET 47 HE2 MET 47 -12.560 3.385 3.411 399 HE3 MET 47 HE3 MET 47 -11.924 4.271 2.004 400 H LYS 48 H LYS 48 -12.975 3.347 -0.926 401 HA LYS 48 HA LYS 48 -13.191 4.509 -3.663 402 HB2 LYS 48 HB1 LYS 48 -10.856 4.050 -1.784 403 HB3 LYS 48 HB2 LYS 48 -10.623 4.282 -3.533 404 HG2 LYS 48 HG1 LYS 48 -10.257 6.380 -2.653 405 HG3 LYS 48 HG2 LYS 48 -11.938 6.447 -3.237 406 HD2 LYS 48 HD1 LYS 48 -11.489 7.635 -1.074 407 HD3 LYS 48 HD2 LYS 48 -12.802 6.436 -1.027 408 HE2 LYS 48 HE1 LYS 48 -11.490 4.877 0.178 409 HE3 LYS 48 HE2 LYS 48 -9.974 5.714 -0.217 410 HZ1 LYS 48 HZ1 LYS 48 -10.637 6.099 2.046 411 HZ2 LYS 48 HZ2 LYS 48 -10.672 7.510 1.197 412 HZ3 LYS 48 HZ3 LYS 48 -12.078 6.734 1.565 413 H GLU 49 H GLU 49 -13.576 3.007 -5.103 414 HA GLU 49 HA GLU 49 -12.018 0.477 -5.117 415 HB2 GLU 49 HB1 GLU 49 -13.955 -0.021 -6.915 416 HB3 GLU 49 HB2 GLU 49 -14.044 -0.468 -5.194 417 HG2 GLU 49 HG1 GLU 49 -16.169 0.431 -6.017 418 HG3 GLU 49 HG2 GLU 49 -15.474 1.460 -4.744 419 H SER 50 H SER 50 -13.507 2.906 -7.210 420 HA SER 50 HA SER 50 -11.984 2.687 -9.573 421 HB2 SER 50 HB1 SER 50 -13.128 4.899 -10.026 422 HB3 SER 50 HB2 SER 50 -14.214 3.570 -9.548 423 HG SER 50 HG SER 50 -14.678 5.540 -8.449 424 H SER 51 H SER 51 -10.228 2.927 -7.281 425 HA SER 51 HA SER 51 -8.332 4.778 -8.507 426 HB2 SER 51 HB1 SER 51 -8.865 4.932 -5.516 427 HB3 SER 51 HB2 SER 51 -7.750 5.936 -6.476 428 HG SER 51 HG SER 51 -9.709 7.019 -5.970 429 H ILE 52 H ILE 52 -9.077 2.199 -6.089 430 HA ILE 52 HA ILE 52 -6.267 1.446 -6.009 431 HB ILE 52 HB ILE 52 -6.969 -0.498 -4.700 432 HG12 ILE 52 HG13 ILE 52 -9.205 -0.443 -3.576 433 HG13 ILE 52 HG12 ILE 52 -9.759 0.632 -4.882 434 HG21 ILE 52 HG21 ILE 52 -7.498 0.854 -2.685 435 HG22 ILE 52 HG22 ILE 52 -6.283 1.655 -3.708 436 HG23 ILE 52 HG23 ILE 52 -7.974 2.212 -3.730 437 HD11 ILE 52 HD11 ILE 52 -10.442 -1.709 -5.304 438 HD12 ILE 52 HD12 ILE 52 -9.299 -1.134 -6.534 439 HD13 ILE 52 HD13 ILE 52 -8.742 -2.210 -5.228 440 H ASP 53 H ASP 53 -9.067 0.509 -7.972 441 HA ASP 53 HA ASP 53 -7.956 -1.656 -9.365 442 HB2 ASP 53 HB1 ASP 53 -10.160 -1.143 -9.949 443 HB3 ASP 53 HB2 ASP 53 -9.809 0.583 -10.171 444 H ASP 54 H ASP 54 -7.648 1.861 -10.445 445 HA ASP 54 HA ASP 54 -6.311 0.915 -12.748 446 HB2 ASP 54 HB1 ASP 54 -7.587 3.156 -12.250 447 HB3 ASP 54 HB2 ASP 54 -5.959 3.757 -11.866 448 H LEU 55 H LEU 55 -4.982 2.086 -9.705 449 HA LEU 55 HA LEU 55 -2.231 2.056 -10.530 450 HB2 LEU 55 HB1 LEU 55 -3.456 1.904 -7.759 451 HB3 LEU 55 HB2 LEU 55 -1.775 2.336 -8.152 452 HG LEU 55 HG LEU 55 -4.258 3.931 -8.877 453 HD11 LEU 55 HD11 LEU 55 -3.361 5.564 -7.240 454 HD12 LEU 55 HD12 LEU 55 -3.673 3.989 -6.475 455 HD13 LEU 55 HD13 LEU 55 -2.008 4.464 -6.888 456 HD21 LEU 55 HD21 LEU 55 -2.691 5.696 -9.636 457 HD22 LEU 55 HD22 LEU 55 -1.321 4.613 -9.312 458 HD23 LEU 55 HD23 LEU 55 -2.495 4.207 -10.587 459 H MET 56 H MET 56 -4.228 -0.399 -8.695 460 HA MET 56 HA MET 56 -2.042 -2.240 -8.445 461 HB2 MET 56 HB1 MET 56 -3.528 -3.681 -7.463 462 HB3 MET 56 HB2 MET 56 -4.297 -2.102 -7.176 463 HG2 MET 56 HG1 MET 56 -5.950 -2.495 -8.817 464 HG3 MET 56 HG2 MET 56 -5.081 -3.890 -9.475 465 HE1 MET 56 HE1 MET 56 -6.823 -4.263 -5.221 466 HE2 MET 56 HE2 MET 56 -5.193 -3.692 -5.647 467 HE3 MET 56 HE3 MET 56 -6.612 -2.679 -6.002 468 H LYS 57 H LYS 57 -4.466 -1.765 -10.843 469 HA LYS 57 HA LYS 57 -3.919 -3.931 -12.637 470 HB2 LYS 57 HB1 LYS 57 -6.041 -2.732 -12.181 471 HB3 LYS 57 HB2 LYS 57 -5.349 -1.291 -12.963 472 HG2 LYS 57 HG1 LYS 57 -5.423 -3.762 -14.591 473 HG3 LYS 57 HG2 LYS 57 -6.992 -3.030 -14.181 474 HD2 LYS 57 HD1 LYS 57 -4.682 -1.765 -15.671 475 HD3 LYS 57 HD2 LYS 57 -6.297 -2.170 -16.300 476 HE2 LYS 57 HE1 LYS 57 -5.544 0.041 -14.372 477 HE3 LYS 57 HE2 LYS 57 -6.193 0.198 -16.019 478 HZ1 LYS 57 HZ1 LYS 57 -7.853 0.659 -14.361 479 HZ2 LYS 57 HZ2 LYS 57 -8.262 -0.684 -15.219 480 HZ3 LYS 57 HZ3 LYS 57 -7.660 -0.830 -13.690 481 H SER 58 H SER 58 -2.222 -0.946 -12.024 482 HA SER 58 HA SER 58 -0.597 -1.221 -14.443 483 HB2 SER 58 HB1 SER 58 -1.101 0.958 -13.192 484 HB3 SER 58 HB2 SER 58 0.043 0.388 -11.954 485 HG SER 58 HG SER 58 1.044 1.691 -13.559 486 H LEU 59 H LEU 59 -0.216 -2.024 -10.910 487 HA LEU 59 HA LEU 59 2.425 -2.967 -10.955 488 HB2 LEU 59 HB1 LEU 59 0.083 -4.057 -9.355 489 HB3 LEU 59 HB2 LEU 59 1.807 -4.286 -8.976 490 HG LEU 59 HG LEU 59 0.238 -1.695 -8.850 491 HD11 LEU 59 HD11 LEU 59 0.697 -1.883 -6.420 492 HD12 LEU 59 HD12 LEU 59 -0.202 -3.299 -7.018 493 HD13 LEU 59 HD13 LEU 59 1.546 -3.422 -6.701 494 HD21 LEU 59 HD21 LEU 59 2.292 -0.667 -7.936 495 HD22 LEU 59 HD22 LEU 59 3.175 -2.181 -8.226 496 HD23 LEU 59 HD23 LEU 59 2.540 -1.242 -9.599 497 H ASP 60 H ASP 60 -0.531 -4.801 -11.441 498 HA ASP 60 HA ASP 60 0.255 -7.353 -12.098 499 HB2 ASP 60 HB1 ASP 60 -1.991 -6.588 -11.605 500 HB3 ASP 60 HB2 ASP 60 -2.002 -5.547 -13.045 501 H LYS 61 H LYS 61 0.918 -4.577 -14.207 502 HA LYS 61 HA LYS 61 0.562 -6.106 -16.639 503 HB2 LYS 61 HB1 LYS 61 1.928 -3.442 -16.272 504 HB3 LYS 61 HB2 LYS 61 1.370 -4.156 -17.803 505 HG2 LYS 61 HG1 LYS 61 -0.489 -3.438 -15.534 506 HG3 LYS 61 HG2 LYS 61 -0.044 -2.304 -16.832 507 HD2 LYS 61 HD1 LYS 61 -2.135 -3.191 -17.471 508 HD3 LYS 61 HD2 LYS 61 -0.938 -4.055 -18.465 509 HE2 LYS 61 HE1 LYS 61 -2.162 -5.858 -17.802 510 HE3 LYS 61 HE2 LYS 61 -1.071 -5.769 -16.402 511 HZ1 LYS 61 HZ1 LYS 61 -3.350 -6.008 -15.740 512 HZ2 LYS 61 HZ2 LYS 61 -2.762 -4.551 -15.243 513 HZ3 LYS 61 HZ3 LYS 61 -3.775 -4.633 -16.542 514 H ASN 62 H ASN 62 3.382 -5.607 -14.568 515 HA ASN 62 HA ASN 62 4.718 -7.542 -16.404 516 HB2 ASN 62 HB1 ASN 62 5.810 -5.296 -14.763 517 HB3 ASN 62 HB2 ASN 62 6.812 -6.743 -15.010 518 HD21 ASN 62 HD21 ASN 62 4.755 -5.966 -17.723 519 HD22 ASN 62 HD22 ASN 62 6.006 -5.218 -18.709 520 H SER 63 H SER 63 3.542 -7.012 -13.154 521 HA SER 63 HA SER 63 2.692 -8.458 -11.749 522 HB2 SER 63 HB1 SER 63 1.741 -9.496 -13.661 523 HB3 SER 63 HB2 SER 63 3.231 -10.414 -13.987 524 HG SER 63 HG SER 63 1.592 -11.686 -13.036 525 H ASP 64 H ASP 64 5.827 -9.921 -12.826 526 HA ASP 64 HA ASP 64 5.681 -11.555 -10.328 527 HB2 ASP 64 HB1 ASP 64 6.664 -12.338 -13.096 528 HB3 ASP 64 HB2 ASP 64 6.726 -13.371 -11.651 529 H GLN 65 H GLN 65 7.395 -9.212 -11.971 530 HA GLN 65 HA GLN 65 9.973 -9.516 -10.804 531 HB2 GLN 65 HB1 GLN 65 9.319 -6.779 -10.834 532 HB3 GLN 65 HB2 GLN 65 10.278 -7.687 -12.026 533 HG2 GLN 65 HG1 GLN 65 8.427 -7.901 -13.496 534 HG3 GLN 65 HG2 GLN 65 7.283 -7.351 -12.254 535 HE21 GLN 65 HE12 GLN 65 10.302 -6.120 -13.901 536 HE22 GLN 65 HE22 GLN 65 9.703 -4.486 -14.061 537 H GLU 66 H GLU 66 10.824 -8.317 -9.003 538 HA GLU 66 HA GLU 66 9.063 -8.295 -6.691 539 HB2 GLU 66 HB1 GLU 66 12.030 -8.003 -7.161 540 HB3 GLU 66 HB2 GLU 66 11.319 -7.594 -5.583 541 HG2 GLU 66 HG1 GLU 66 10.466 -9.839 -5.305 542 HG3 GLU 66 HG2 GLU 66 10.904 -10.270 -6.972 543 H ILE 67 H ILE 67 8.453 -6.628 -5.465 544 HA ILE 67 HA ILE 67 9.190 -3.823 -6.173 545 HB ILE 67 HB ILE 67 6.733 -5.007 -4.788 546 HG12 ILE 67 HG13 ILE 67 7.094 -3.441 -7.363 547 HG13 ILE 67 HG12 ILE 67 6.726 -5.176 -7.222 548 HG21 ILE 67 HG21 ILE 67 5.946 -2.683 -4.527 549 HG22 ILE 67 HG22 ILE 67 7.460 -2.957 -3.632 550 HG23 ILE 67 HG23 ILE 67 7.490 -2.083 -5.181 551 HD11 ILE 67 HD11 ILE 67 4.699 -3.881 -7.822 552 HD12 ILE 67 HD12 ILE 67 4.540 -4.633 -6.222 553 HD13 ILE 67 HD13 ILE 67 4.908 -2.896 -6.358 554 H ASP 68 H ASP 68 10.294 -2.678 -4.609 555 HA ASP 68 HA ASP 68 10.624 -3.845 -1.921 556 HB2 ASP 68 HB1 ASP 68 12.445 -2.366 -1.645 557 HB3 ASP 68 HB2 ASP 68 12.557 -2.947 -3.320 558 H PHE 69 H PHE 69 10.591 -2.360 -0.078 559 HA PHE 69 HA PHE 69 8.082 -1.502 0.610 560 HB2 PHE 69 HB1 PHE 69 9.923 -2.114 2.089 561 HB3 PHE 69 HB2 PHE 69 10.803 -0.643 1.644 562 HD1 PHE 69 HD2 PHE 69 7.165 -0.581 2.391 563 HD2 PHE 69 HD1 PHE 69 11.122 -0.011 3.969 564 HE1 PHE 69 HE2 PHE 69 6.222 0.723 4.275 565 HE2 PHE 69 HE1 PHE 69 10.165 1.165 5.936 566 HZ PHE 69 HZ PHE 69 7.711 1.552 6.081 567 H LYS 70 H LYS 70 10.296 0.458 -1.290 568 HA LYS 70 HA LYS 70 9.256 3.055 -0.651 569 HB2 LYS 70 HB1 LYS 70 11.455 2.485 -1.610 570 HB3 LYS 70 HB2 LYS 70 10.647 1.894 -3.084 571 HG2 LYS 70 HG1 LYS 70 9.881 4.177 -3.582 572 HG3 LYS 70 HG2 LYS 70 10.681 4.770 -2.107 573 HD2 LYS 70 HD1 LYS 70 12.106 5.110 -4.118 574 HD3 LYS 70 HD2 LYS 70 12.863 3.992 -2.958 575 HE2 LYS 70 HE1 LYS 70 11.129 2.750 -5.043 576 HE3 LYS 70 HE2 LYS 70 12.640 3.483 -5.622 577 HZ1 LYS 70 HZ1 LYS 70 12.925 1.170 -5.079 578 HZ2 LYS 70 HZ2 LYS 70 13.828 2.105 -4.068 579 HZ3 LYS 70 HZ3 LYS 70 12.426 1.426 -3.530 580 H GLU 71 H GLU 71 8.587 0.822 -3.500 581 HA GLU 71 HA GLU 71 6.658 2.655 -4.538 582 HB2 GLU 71 HB1 GLU 71 6.521 -0.321 -4.990 583 HB3 GLU 71 HB2 GLU 71 5.823 0.981 -5.984 584 HG2 GLU 71 HG1 GLU 71 8.396 1.697 -6.155 585 HG3 GLU 71 HG2 GLU 71 8.630 -0.037 -5.847 586 H TYR 72 H TYR 72 6.492 0.112 -2.069 587 HA TYR 72 HA TYR 72 3.652 -0.000 -1.845 588 HB2 TYR 72 HB1 TYR 72 5.208 -1.662 -0.921 589 HB3 TYR 72 HB2 TYR 72 5.796 -0.463 0.244 590 HD1 TYR 72 HD2 TYR 72 2.334 -1.595 -0.798 591 HD2 TYR 72 HD1 TYR 72 5.104 -0.896 2.416 592 HE1 TYR 72 HE2 TYR 72 0.826 -2.804 0.767 593 HE2 TYR 72 HE1 TYR 72 3.576 -2.051 3.999 594 HH TYR 72 HH TYR 72 0.577 -3.679 2.864 595 H SER 73 H SER 73 6.065 2.065 -0.101 596 HA SER 73 HA SER 73 4.058 3.282 1.534 597 HB2 SER 73 HB1 SER 73 5.790 4.838 2.205 598 HB3 SER 73 HB2 SER 73 6.418 3.174 2.176 599 HG SER 73 HG SER 73 7.857 4.684 1.229 600 H VAL 74 H VAL 74 5.515 4.334 -1.626 601 HA VAL 74 HA VAL 74 3.978 6.767 -1.599 602 HB VAL 74 HB VAL 74 4.530 7.124 -3.899 603 HG11 VAL 74 HG11 VAL 74 6.977 7.249 -3.670 604 HG12 VAL 74 HG12 VAL 74 6.148 7.707 -2.166 605 HG13 VAL 74 HG13 VAL 74 6.902 6.102 -2.315 606 HG21 VAL 74 HG21 VAL 74 5.943 5.618 -5.235 607 HG22 VAL 74 HG22 VAL 74 5.848 4.402 -3.945 608 HG23 VAL 74 HG23 VAL 74 4.380 4.879 -4.832 609 H PHE 75 H PHE 75 3.231 3.495 -2.812 610 HA PHE 75 HA PHE 75 0.939 4.224 -4.377 611 HB2 PHE 75 HB1 PHE 75 2.300 2.102 -4.402 612 HB3 PHE 75 HB2 PHE 75 1.539 1.666 -2.863 613 HD1 PHE 75 HD1 PHE 75 -0.994 1.256 -2.818 614 HD2 PHE 75 HD2 PHE 75 1.288 1.665 -6.446 615 HE1 PHE 75 HE1 PHE 75 -2.754 0.026 -4.072 616 HE2 PHE 75 HE2 PHE 75 -0.436 0.384 -7.678 617 HZ PHE 75 HZ PHE 75 -2.456 -0.445 -6.496 618 H LEU 76 H LEU 76 1.289 3.139 -0.945 619 HA LEU 76 HA LEU 76 -1.480 3.410 -0.288 620 HB2 LEU 76 HB1 LEU 76 1.026 3.525 1.419 621 HB3 LEU 76 HB2 LEU 76 -0.633 3.398 2.052 622 HG LEU 76 HG LEU 76 0.615 1.337 0.207 623 HD11 LEU 76 HD11 LEU 76 1.034 0.009 2.254 624 HD12 LEU 76 HD12 LEU 76 1.935 1.543 2.286 625 HD13 LEU 76 HD13 LEU 76 0.452 1.362 3.253 626 HD21 LEU 76 HD21 LEU 76 -1.184 -0.125 1.055 627 HD22 LEU 76 HD22 LEU 76 -1.804 1.215 2.046 628 HD23 LEU 76 HD23 LEU 76 -1.845 1.328 0.270 629 H THR 77 H THR 77 1.298 5.663 0.031 630 HA THR 77 HA THR 77 -0.069 7.857 1.184 631 HB THR 77 HB THR 77 2.324 7.753 -0.681 632 HG1 THR 77 HG1 THR 77 3.377 8.043 1.334 633 HG21 THR 77 HG21 THR 77 2.839 10.019 0.172 634 HG22 THR 77 HG22 THR 77 1.292 10.001 -0.708 635 HG23 THR 77 HG23 THR 77 1.305 10.025 1.073 636 H MET 78 H MET 78 0.525 7.082 -2.258 637 HA MET 78 HA MET 78 -0.805 9.247 -3.460 638 HB2 MET 78 HB1 MET 78 0.737 7.842 -4.646 639 HB3 MET 78 HB2 MET 78 -0.265 6.402 -4.353 640 HG2 MET 78 HG1 MET 78 -1.860 7.032 -5.919 641 HG3 MET 78 HG2 MET 78 -1.353 8.729 -5.904 642 HE1 MET 78 HE1 MET 78 1.512 5.552 -7.744 643 HE2 MET 78 HE2 MET 78 1.445 6.006 -6.027 644 HE3 MET 78 HE3 MET 78 0.111 5.081 -6.759 645 H LEU 79 H LEU 79 -2.154 6.028 -2.473 646 HA LEU 79 HA LEU 79 -4.784 6.682 -3.411 647 HB2 LEU 79 HB1 LEU 79 -3.579 4.411 -2.518 648 HB3 LEU 79 HB2 LEU 79 -4.570 4.843 -1.103 649 HG LEU 79 HG LEU 79 -5.875 3.385 -2.408 650 HD11 LEU 79 HD11 LEU 79 -7.836 4.660 -3.203 651 HD12 LEU 79 HD12 LEU 79 -7.230 5.279 -1.656 652 HD13 LEU 79 HD13 LEU 79 -6.868 6.146 -3.168 653 HD21 LEU 79 HD21 LEU 79 -6.272 3.659 -4.835 654 HD22 LEU 79 HD22 LEU 79 -5.238 5.104 -4.834 655 HD23 LEU 79 HD23 LEU 79 -4.540 3.507 -4.469 656 H CYS 80 H CYS 80 -3.237 7.001 -0.172 657 HA CYS 80 HA CYS 80 -5.498 7.894 1.252 658 HB2 CYS 80 HB1 CYS 80 -3.275 7.109 2.152 659 HB3 CYS 80 HB2 CYS 80 -2.593 8.689 1.696 660 HG CYS 80 HG CYS 80 -3.057 8.632 4.273 661 H MET 81 H MET 81 -2.984 9.864 -0.411 662 HA MET 81 HA MET 81 -4.227 12.347 0.214 663 HB2 MET 81 HB1 MET 81 -2.648 13.356 -1.366 664 HB3 MET 81 HB2 MET 81 -1.886 12.299 -0.154 665 HG2 MET 81 HG1 MET 81 -0.880 11.142 -1.740 666 HG3 MET 81 HG2 MET 81 -2.441 10.742 -2.477 667 HE1 MET 81 HE1 MET 81 -2.920 13.125 -5.331 668 HE2 MET 81 HE2 MET 81 -3.317 11.549 -4.600 669 HE3 MET 81 HE3 MET 81 -3.691 13.053 -3.724 670 H ALA 82 H ALA 82 -4.855 10.073 -2.401 671 HA ALA 82 HA ALA 82 -6.360 11.913 -3.993 672 HB1 ALA 82 HB1 ALA 82 -7.203 9.880 -5.106 673 HB2 ALA 82 HB2 ALA 82 -5.440 9.818 -4.874 674 HB3 ALA 82 HB3 ALA 82 -6.511 8.883 -3.804 675 H TYR 83 H TYR 83 -7.049 10.925 -0.861 676 HA TYR 83 HA TYR 83 -9.822 11.815 -1.243 677 HB2 TYR 83 HB1 TYR 83 -10.687 10.124 0.275 678 HB3 TYR 83 HB2 TYR 83 -9.984 9.454 -1.206 679 HD1 TYR 83 HD1 TYR 83 -9.137 10.081 2.392 680 HD2 TYR 83 HD2 TYR 83 -8.700 7.474 -1.007 681 HE1 TYR 83 HE1 TYR 83 -7.912 8.458 3.809 682 HE2 TYR 83 HE2 TYR 83 -7.624 5.778 0.444 683 HH TYR 83 HH TYR 83 -6.843 5.259 2.500 684 H ASN 84 H ASN 84 -7.191 13.025 -0.055 685 HA ASN 84 HA ASN 84 -8.051 13.458 2.721 686 HB2 ASN 84 HB1 ASN 84 -5.453 13.866 1.266 687 HB3 ASN 84 HB2 ASN 84 -5.739 14.617 2.850 688 HD21 ASN 84 HD21 ASN 84 -3.645 12.802 2.460 689 HD22 ASN 84 HD22 ASN 84 -3.985 11.345 3.377 690 H ASP 85 H ASP 85 -8.445 15.332 -0.173 691 HA ASP 85 HA ASP 85 -8.411 17.883 1.137 692 HB2 ASP 85 HB1 ASP 85 -9.752 16.872 -1.369 693 HB3 ASP 85 HB2 ASP 85 -9.971 18.537 -0.788 694 H PHE 86 H PHE 86 -10.542 15.259 1.667 695 HA PHE 86 HA PHE 86 -12.837 16.520 2.669 696 HB2 PHE 86 HB1 PHE 86 -12.443 14.094 2.473 697 HB3 PHE 86 HB2 PHE 86 -11.227 14.179 3.759 698 HD1 PHE 86 HD1 PHE 86 -14.865 14.789 3.067 699 HD2 PHE 86 HD2 PHE 86 -11.855 13.903 6.019 700 HE1 PHE 86 HE1 PHE 86 -16.640 14.436 4.775 701 HE2 PHE 86 HE2 PHE 86 -13.629 13.555 7.723 702 HZ PHE 86 HZ PHE 86 -16.021 13.825 7.103 703 H PHE 87 H PHE 87 -9.557 16.781 3.875 704 HA PHE 87 HA PHE 87 -10.419 17.992 6.418 705 HB2 PHE 87 HB1 PHE 87 -7.624 17.563 5.314 706 HB3 PHE 87 HB2 PHE 87 -8.066 17.947 6.985 707 HD1 PHE 87 HD2 PHE 87 -10.110 16.073 7.745 708 HD2 PHE 87 HD1 PHE 87 -6.706 15.447 5.179 709 HE1 PHE 87 HE2 PHE 87 -10.165 13.638 8.258 710 HE2 PHE 87 HE1 PHE 87 -6.770 13.018 5.685 711 HZ PHE 87 HZ PHE 87 -8.505 12.110 7.216 712 H LEU 88 H LEU 88 -10.171 19.197 3.311 713 HA LEU 88 HA LEU 88 -8.964 21.765 4.156 714 HB2 LEU 88 HB1 LEU 88 -9.254 20.412 1.478 715 HB3 LEU 88 HB2 LEU 88 -8.929 22.157 1.609 716 HG LEU 88 HG LEU 88 -7.150 19.825 2.086 717 HD11 LEU 88 HD11 LEU 88 -5.539 21.358 0.964 718 HD12 LEU 88 HD12 LEU 88 -7.049 21.223 0.035 719 HD13 LEU 88 HD13 LEU 88 -6.744 22.665 1.033 720 HD21 LEU 88 HD21 LEU 88 -5.518 21.148 3.411 721 HD22 LEU 88 HD22 LEU 88 -6.696 22.470 3.522 722 HD23 LEU 88 HD23 LEU 88 -7.034 20.907 4.303 723 H GLU 89 H GLU 89 -9.748 23.676 3.329 724 HA GLU 89 HA GLU 89 -12.643 24.028 3.528 725 HB2 GLU 89 HB1 GLU 89 -10.232 25.887 3.357 726 HB3 GLU 89 HB2 GLU 89 -11.905 26.434 3.613 727 HG2 GLU 89 HG1 GLU 89 -11.091 26.451 5.758 728 HG3 GLU 89 HG2 GLU 89 -11.838 24.840 5.673 729 H ASP 90 H ASP 90 -10.567 23.442 1.013 730 HA ASP 90 HA ASP 90 -10.239 23.880 -1.108 731 HB2 ASP 90 HB1 ASP 90 -12.552 22.857 -1.149 732 HB3 ASP 90 HB2 ASP 90 -13.161 24.494 -1.480 733 H ASN 91 H ASN 91 -10.823 26.524 0.784 734 HA ASN 91 HA ASN 91 -10.692 28.701 -0.990 735 HB2 ASN 91 HB1 ASN 91 -10.816 28.708 1.523 736 HB3 ASN 91 HB2 ASN 91 -9.098 28.251 1.566 737 HD21 ASN 91 HD21 ASN 91 -7.503 29.820 0.886 738 HD22 ASN 91 HD22 ASN 91 -7.904 31.526 0.768 739 H LYS 92 H LYS 92 -8.233 26.329 -0.121 740 HA LYS 92 HA LYS 92 -6.033 26.068 -0.377 741 HB2 LYS 92 HB1 LYS 92 -6.666 27.288 -3.041 742 HB3 LYS 92 HB2 LYS 92 -4.994 26.874 -2.593 743 HG2 LYS 92 HG1 LYS 92 -5.745 25.002 -3.765 744 HG3 LYS 92 HG2 LYS 92 -5.897 24.537 -2.055 745 HD2 LYS 92 HD1 LYS 92 -7.804 23.689 -3.216 746 HD3 LYS 92 HD2 LYS 92 -8.351 25.054 -2.214 747 HE2 LYS 92 HE1 LYS 92 -8.305 26.529 -4.193 748 HE3 LYS 92 HE2 LYS 92 -7.744 25.173 -5.196 749 HZ1 LYS 92 HZ1 LYS 92 -10.104 25.497 -5.379 750 HZ2 LYS 92 HZ2 LYS 92 -9.786 24.034 -4.686 751 HZ3 LYS 92 HZ3 LYS 92 -10.306 25.293 -3.754 752 HA MET 1 HA MET 1 -11.808 1.531 8.245 753 HB2 MET 1 HB1 MET 1 -10.181 4.019 8.719 754 HB3 MET 1 HB2 MET 1 -10.143 2.901 7.334 755 HG2 MET 1 HG1 MET 1 -12.423 3.649 6.709 756 HG3 MET 1 HG2 MET 1 -12.389 4.810 8.047 757 HE1 MET 1 HE1 MET 1 -9.441 7.253 6.829 758 HE2 MET 1 HE2 MET 1 -10.575 6.895 8.147 759 HE3 MET 1 HE3 MET 1 -9.233 5.779 7.796 760 H GLU 2 H GLU 2 -10.480 -0.119 8.923 761 HA GLU 2 HA GLU 2 -10.014 0.042 11.874 762 HB2 GLU 2 HB1 GLU 2 -11.088 -2.077 9.958 763 HB3 GLU 2 HB2 GLU 2 -10.597 -2.477 11.623 764 HG2 GLU 2 HG1 GLU 2 -13.058 -2.181 11.249 765 HG3 GLU 2 HG2 GLU 2 -12.351 -1.202 12.553 766 H THR 3 H THR 3 -8.685 -1.046 8.817 767 HA THR 3 HA THR 3 -7.384 -3.393 9.767 768 HB THR 3 HB THR 3 -6.960 -3.912 7.653 769 HG1 THR 3 HG1 THR 3 -6.062 -2.469 6.126 770 HG21 THR 3 HG21 THR 3 -8.413 -2.814 5.975 771 HG22 THR 3 HG22 THR 3 -9.264 -3.055 7.516 772 HG23 THR 3 HG23 THR 3 -8.644 -1.443 7.083 773 HA PRO 4 HA PRO 4 -3.689 -1.992 11.501 774 HB2 PRO 4 HB1 PRO 4 -1.711 -3.741 10.674 775 HB3 PRO 4 HB2 PRO 4 -2.976 -4.118 11.889 776 HG2 PRO 4 HG1 PRO 4 -2.979 -4.781 8.944 777 HG3 PRO 4 HG2 PRO 4 -3.384 -5.860 10.319 778 HD2 PRO 4 HD1 PRO 4 -5.326 -4.617 8.876 779 HD3 PRO 4 HD2 PRO 4 -5.471 -4.762 10.653 780 H LEU 5 H LEU 5 -3.211 -2.625 7.940 781 HA LEU 5 HA LEU 5 -1.023 -0.770 7.720 782 HB2 LEU 5 HB1 LEU 5 -1.750 -2.618 6.132 783 HB3 LEU 5 HB2 LEU 5 -3.040 -1.517 5.592 784 HG LEU 5 HG LEU 5 -1.314 0.101 4.851 785 HD11 LEU 5 HD11 LEU 5 1.047 -0.625 4.686 786 HD12 LEU 5 HD12 LEU 5 0.515 -0.543 6.382 787 HD13 LEU 5 HD13 LEU 5 0.648 -2.120 5.566 788 HD21 LEU 5 HD21 LEU 5 -0.642 -1.248 2.886 789 HD22 LEU 5 HD22 LEU 5 -1.067 -2.740 3.762 790 HD23 LEU 5 HD23 LEU 5 -2.337 -1.567 3.336 791 H GLU 6 H GLU 6 -4.555 -0.429 7.145 792 HA GLU 6 HA GLU 6 -4.668 2.337 6.662 793 HB2 GLU 6 HB1 GLU 6 -6.606 1.259 6.260 794 HB3 GLU 6 HB2 GLU 6 -6.445 0.194 7.676 795 HG2 GLU 6 HG1 GLU 6 -8.417 1.631 7.768 796 HG3 GLU 6 HG2 GLU 6 -7.299 1.893 9.124 797 H LYS 7 H LYS 7 -4.375 0.635 9.871 798 HA LYS 7 HA LYS 7 -4.504 3.130 11.280 799 HB2 LYS 7 HB1 LYS 7 -3.401 0.489 12.206 800 HB3 LYS 7 HB2 LYS 7 -3.626 1.930 13.225 801 HG2 LYS 7 HG1 LYS 7 -5.492 -0.165 12.469 802 HG3 LYS 7 HG2 LYS 7 -5.533 0.991 13.824 803 HD2 LYS 7 HD1 LYS 7 -6.563 1.494 11.026 804 HD3 LYS 7 HD2 LYS 7 -7.547 1.085 12.451 805 HE2 LYS 7 HE1 LYS 7 -7.301 3.194 13.393 806 HE3 LYS 7 HE2 LYS 7 -5.797 3.532 12.510 807 HZ1 LYS 7 HZ1 LYS 7 -7.643 4.780 11.634 808 HZ2 LYS 7 HZ2 LYS 7 -7.093 3.715 10.501 809 HZ3 LYS 7 HZ3 LYS 7 -8.489 3.400 11.320 810 H ALA 8 H ALA 8 -1.782 1.403 9.756 811 HA ALA 8 HA ALA 8 0.264 3.105 10.784 812 HB1 ALA 8 HB1 ALA 8 1.578 2.279 8.869 813 HB2 ALA 8 HB2 ALA 8 0.711 0.955 9.682 814 HB3 ALA 8 HB3 ALA 8 0.100 1.607 8.142 815 H LEU 9 H LEU 9 -1.830 3.452 7.840 816 HA LEU 9 HA LEU 9 -0.630 5.928 7.024 817 HB2 LEU 9 HB1 LEU 9 -3.070 4.362 6.313 818 HB3 LEU 9 HB2 LEU 9 -3.014 6.081 5.849 819 HG LEU 9 HG LEU 9 -2.313 4.561 4.046 820 HD11 LEU 9 HD11 LEU 9 -0.247 5.751 3.382 821 HD12 LEU 9 HD12 LEU 9 -1.446 6.859 4.084 822 HD13 LEU 9 HD13 LEU 9 -0.050 6.324 5.052 823 HD21 LEU 9 HD21 LEU 9 -0.148 3.372 4.123 824 HD22 LEU 9 HD22 LEU 9 0.056 3.869 5.817 825 HD23 LEU 9 HD23 LEU 9 -1.271 2.771 5.362 826 H THR 10 H THR 10 -3.698 5.263 8.848 827 HA THR 10 HA THR 10 -4.407 7.820 9.644 828 HB THR 10 HB THR 10 -4.538 5.143 10.990 829 HG1 THR 10 HG1 THR 10 -6.780 5.662 10.766 830 HG21 THR 10 HG21 THR 10 -5.923 6.108 12.826 831 HG22 THR 10 HG22 THR 10 -4.264 6.735 12.882 832 HG23 THR 10 HG23 THR 10 -5.573 7.738 12.216 833 H THR 11 H THR 11 -1.854 5.766 11.199 834 HA THR 11 HA THR 11 -1.136 7.693 13.174 835 HB THR 11 HB THR 11 0.494 5.430 11.975 836 HG1 THR 11 HG1 THR 11 -0.288 4.388 13.874 837 HG21 THR 11 HG21 THR 11 1.739 5.479 14.122 838 HG22 THR 11 HG22 THR 11 1.914 7.015 13.246 839 HG23 THR 11 HG23 THR 11 0.797 6.898 14.627 840 H MET 12 H MET 12 0.284 7.039 9.922 841 HA MET 12 HA MET 12 2.257 9.056 9.995 842 HB2 MET 12 HB1 MET 12 0.784 7.655 7.774 843 HB3 MET 12 HB2 MET 12 1.845 9.036 7.400 844 HG2 MET 12 HG1 MET 12 3.709 7.860 8.580 845 HG3 MET 12 HG2 MET 12 2.643 6.463 8.809 846 HE1 MET 12 HE1 MET 12 5.500 5.917 5.909 847 HE2 MET 12 HE2 MET 12 5.582 7.216 7.123 848 HE3 MET 12 HE3 MET 12 5.128 5.566 7.614 849 H VAL 13 H VAL 13 -1.231 9.369 9.011 850 HA VAL 13 HA VAL 13 -0.783 12.159 8.329 851 HB VAL 13 HB VAL 13 -3.175 12.400 8.035 852 HG11 VAL 13 HG11 VAL 13 -3.387 10.904 6.077 853 HG12 VAL 13 HG12 VAL 13 -1.760 11.609 6.191 854 HG13 VAL 13 HG13 VAL 13 -2.038 9.922 6.689 855 HG21 VAL 13 HG21 VAL 13 -4.738 10.497 8.132 856 HG22 VAL 13 HG22 VAL 13 -3.448 9.486 8.812 857 HG23 VAL 13 HG23 VAL 13 -4.064 10.883 9.728 858 H THR 14 H THR 14 -1.846 10.438 11.214 859 HA THR 14 HA THR 14 -2.847 12.714 12.659 860 HB THR 14 HB THR 14 -1.911 9.976 13.576 861 HG1 THR 14 HG1 THR 14 -4.193 9.664 13.605 862 HG21 THR 14 HG21 THR 14 -3.273 10.370 15.615 863 HG22 THR 14 HG22 THR 14 -1.946 11.543 15.495 864 HG23 THR 14 HG23 THR 14 -3.605 12.026 15.066 865 H THR 15 H THR 15 0.385 11.330 12.266 866 HA THR 15 HA THR 15 1.648 13.248 14.062 867 HB THR 15 HB THR 15 3.736 12.416 12.757 868 HG1 THR 15 HG1 THR 15 3.331 10.382 11.780 869 HG21 THR 15 HG21 THR 15 3.798 10.321 14.086 870 HG22 THR 15 HG22 THR 15 3.149 11.670 15.045 871 HG23 THR 15 HG23 THR 15 2.046 10.451 14.363 872 H PHE 16 H PHE 16 1.591 12.828 10.464 873 HA PHE 16 HA PHE 16 3.169 15.022 9.803 874 HB2 PHE 16 HB1 PHE 16 2.582 13.210 8.316 875 HB3 PHE 16 HB2 PHE 16 0.875 13.678 8.354 876 HD1 PHE 16 HD1 PHE 16 4.206 14.457 6.963 877 HD2 PHE 16 HD2 PHE 16 0.041 15.539 7.024 878 HE1 PHE 16 HE1 PHE 16 4.462 15.560 4.750 879 HE2 PHE 16 HE2 PHE 16 0.321 16.731 4.863 880 HZ PHE 16 HZ PHE 16 2.517 16.698 3.702 881 H HIS 17 H HIS 17 -0.447 15.060 10.174 882 HA HIS 17 HA HIS 17 -0.766 17.632 9.041 883 HB2 HIS 17 HB1 HIS 17 -2.606 16.054 9.383 884 HB3 HIS 17 HB2 HIS 17 -2.465 16.250 11.139 885 HD1 HIS 17 HD1 HIS 17 -3.419 18.569 12.155 886 HD2 HIS 17 HD2 HIS 17 -3.767 18.098 7.995 887 HE1 HIS 17 HE1 HIS 17 -4.982 20.420 11.340 888 HE2 HIS 17 HE2 HIS 17 -5.249 20.129 8.806 889 H LYS 18 H LYS 18 0.115 16.711 12.358 890 HA LYS 18 HA LYS 18 -0.277 19.238 13.605 891 HB2 LYS 18 HB1 LYS 18 1.503 16.889 14.329 892 HB3 LYS 18 HB2 LYS 18 1.146 18.263 15.404 893 HG2 LYS 18 HG1 LYS 18 -1.195 17.660 15.508 894 HG3 LYS 18 HG2 LYS 18 -0.983 16.416 14.251 895 HD2 LYS 18 HD1 LYS 18 0.543 15.161 15.748 896 HD3 LYS 18 HD2 LYS 18 0.333 16.403 17.005 897 HE2 LYS 18 HE1 LYS 18 -1.756 15.662 17.578 898 HE3 LYS 18 HE2 LYS 18 -2.187 15.265 15.901 899 HZ1 LYS 18 HZ1 LYS 18 -2.005 13.308 17.259 900 HZ2 LYS 18 HZ2 LYS 18 -0.843 13.295 16.090 901 HZ3 LYS 18 HZ3 LYS 18 -0.443 13.664 17.646 902 H TYR 19 H TYR 19 2.124 18.429 11.314 903 HA TYR 19 HA TYR 19 3.699 20.825 12.122 904 HB2 TYR 19 HB1 TYR 19 4.584 18.229 10.835 905 HB3 TYR 19 HB2 TYR 19 5.609 19.669 10.960 906 HD1 TYR 19 HD1 TYR 19 3.900 16.992 12.870 907 HD2 TYR 19 HD2 TYR 19 6.672 20.277 13.069 908 HE1 TYR 19 HE1 TYR 19 4.819 16.078 14.989 909 HE2 TYR 19 HE2 TYR 19 7.498 19.452 15.264 910 HH TYR 19 HH TYR 19 7.375 17.779 16.844 911 H SER 20 H SER 20 1.696 19.443 9.695 912 HA SER 20 HA SER 20 2.463 21.190 7.528 913 HB2 SER 20 HB1 SER 20 0.418 20.465 6.501 914 HB3 SER 20 HB2 SER 20 1.131 19.065 7.336 915 HG SER 20 HG SER 20 -1.135 19.250 7.688 916 H GLY 21 H GLY 21 0.836 21.847 10.510 917 HA2 GLY 21 HA2 GLY 21 0.568 24.201 9.369 918 H ARG 22 H ARG 22 0.548 26.208 9.981 919 HA ARG 22 HA ARG 22 1.698 27.751 11.610 920 HB2 ARG 22 HB1 ARG 22 3.881 25.751 11.016 921 HB3 ARG 22 HB2 ARG 22 4.267 27.455 11.355 922 HG2 ARG 22 HG1 ARG 22 3.517 27.336 13.543 923 HG3 ARG 22 HG2 ARG 22 2.306 26.085 13.169 924 HD2 ARG 22 HD1 ARG 22 4.539 24.667 12.643 925 HD3 ARG 22 HD2 ARG 22 5.216 25.800 13.832 926 HE ARG 22 HE ARG 22 3.234 25.069 15.303 927 HH11 ARG 22 HH12 ARG 22 5.363 22.982 13.486 928 HH12 ARG 22 HH11 ARG 22 4.607 21.510 14.037 929 HH21 ARG 22 HH22 ARG 22 2.020 23.122 15.698 930 HH22 ARG 22 HH21 ARG 22 2.746 21.591 15.267 931 H GLU 23 H GLU 23 3.484 26.279 8.841 932 HA GLU 23 HA GLU 23 2.779 28.291 6.913 933 HB2 GLU 23 HB1 GLU 23 3.403 25.313 6.772 934 HB3 GLU 23 HB2 GLU 23 3.215 26.357 5.342 935 HG2 GLU 23 HG1 GLU 23 5.235 27.393 5.658 936 HG3 GLU 23 HG2 GLU 23 5.111 27.335 7.429 937 H GLY 24 H GLY 24 1.046 27.790 5.118 938 HA2 GLY 24 HA2 GLY 24 -0.901 26.663 6.533 939 H SER 25 H SER 25 0.469 25.504 4.498 940 HA SER 25 HA SER 25 -1.696 24.324 2.927 941 HB2 SER 25 HB1 SER 25 1.311 23.869 2.978 942 HB3 SER 25 HB2 SER 25 0.184 23.181 1.783 943 HG SER 25 HG SER 25 1.237 25.076 1.024 944 H LYS 26 H LYS 26 -2.866 23.189 4.640 945 HA LYS 26 HA LYS 26 -1.676 21.544 6.598 946 HB2 LYS 26 HB1 LYS 26 -4.475 21.665 5.439 947 HB3 LYS 26 HB2 LYS 26 -4.048 20.760 6.910 948 HG2 LYS 26 HG1 LYS 26 -3.808 22.668 8.184 949 HG3 LYS 26 HG2 LYS 26 -3.360 23.679 6.789 950 HD2 LYS 26 HD1 LYS 26 -5.630 24.198 7.751 951 HD3 LYS 26 HD2 LYS 26 -5.653 23.762 6.025 952 HE2 LYS 26 HE1 LYS 26 -6.205 21.376 6.785 953 HE3 LYS 26 HE2 LYS 26 -6.488 22.061 8.399 954 HZ1 LYS 26 HZ1 LYS 26 -8.500 21.920 7.130 955 HZ2 LYS 26 HZ2 LYS 26 -8.130 23.498 7.432 956 HZ3 LYS 26 HZ3 LYS 26 -7.869 22.864 5.933 957 H LEU 27 H LEU 27 -1.406 20.713 3.481 958 HA LEU 27 HA LEU 27 -1.605 17.771 3.899 959 HB2 LEU 27 HB1 LEU 27 -1.992 19.403 1.365 960 HB3 LEU 27 HB2 LEU 27 -2.000 17.627 1.457 961 HG LEU 27 HG LEU 27 -4.022 19.488 2.752 962 HD11 LEU 27 HD11 LEU 27 -5.540 18.573 1.012 963 HD12 LEU 27 HD12 LEU 27 -4.137 19.383 0.275 964 HD13 LEU 27 HD13 LEU 27 -4.198 17.606 0.354 965 HD21 LEU 27 HD21 LEU 27 -5.353 17.442 3.202 966 HD22 LEU 27 HD22 LEU 27 -4.031 16.446 2.554 967 HD23 LEU 27 HD23 LEU 27 -3.789 17.391 4.043 968 H THR 28 H THR 28 0.516 20.272 3.699 969 HA THR 28 HA THR 28 2.769 18.634 2.718 970 HB THR 28 HB THR 28 3.678 20.441 1.439 971 HG1 THR 28 HG1 THR 28 2.510 22.409 1.280 972 HG21 THR 28 HG21 THR 28 2.013 20.863 -0.355 973 HG22 THR 28 HG22 THR 28 1.993 19.165 0.158 974 HG23 THR 28 HG23 THR 28 0.726 20.282 0.719 975 H LEU 29 H LEU 29 4.916 19.916 3.356 976 HA LEU 29 HA LEU 29 4.736 22.085 5.194 977 HB2 LEU 29 HB1 LEU 29 5.618 21.245 7.190 978 HB3 LEU 29 HB2 LEU 29 4.251 20.193 6.748 979 HG LEU 29 HG LEU 29 7.197 19.522 6.489 980 HD11 LEU 29 HD11 LEU 29 6.672 17.928 8.323 981 HD12 LEU 29 HD12 LEU 29 6.315 19.603 8.808 982 HD13 LEU 29 HD13 LEU 29 4.990 18.510 8.345 983 HD21 LEU 29 HD21 LEU 29 6.459 17.222 5.951 984 HD22 LEU 29 HD22 LEU 29 4.769 17.768 5.958 985 HD23 LEU 29 HD23 LEU 29 5.899 18.382 4.728 986 H SER 30 H SER 30 6.852 23.011 5.783 987 HA SER 30 HA SER 30 8.547 22.980 3.512 988 HB2 SER 30 HB1 SER 30 9.968 24.565 4.706 989 HB3 SER 30 HB2 SER 30 8.247 24.997 4.845 990 HG SER 30 HG SER 30 9.374 25.182 6.840 991 H ARG 31 H ARG 31 10.805 22.640 3.344 992 HA ARG 31 HA ARG 31 11.799 20.133 3.990 993 HB2 ARG 31 HB1 ARG 31 13.386 22.703 3.661 994 HB3 ARG 31 HB2 ARG 31 13.967 21.048 3.358 995 HG2 ARG 31 HG1 ARG 31 11.607 21.897 1.785 996 HG3 ARG 31 HG2 ARG 31 13.123 22.763 1.439 997 HD2 ARG 31 HD1 ARG 31 12.678 20.820 -0.049 998 HD3 ARG 31 HD2 ARG 31 14.227 20.746 0.818 999 HE ARG 31 HE ARG 31 12.744 19.236 2.432 1000 HH11 ARG 31 HH12 ARG 31 12.750 19.202 -1.110 1001 HH12 ARG 31 HH11 ARG 31 12.358 17.508 -1.199 1002 HH21 ARG 31 HH22 ARG 31 12.245 17.014 2.195 1003 HH22 ARG 31 HH21 ARG 31 12.082 16.313 0.607 1004 H LYS 32 H LYS 32 11.937 23.052 6.042 1005 HA LYS 32 HA LYS 32 13.710 21.781 7.988 1006 HB2 LYS 32 HB1 LYS 32 12.618 24.485 7.485 1007 HB3 LYS 32 HB2 LYS 32 12.870 24.066 9.196 1008 HG2 LYS 32 HG1 LYS 32 14.825 25.205 8.193 1009 HG3 LYS 32 HG2 LYS 32 15.207 23.571 8.784 1010 HD2 LYS 32 HD1 LYS 32 15.148 22.719 6.464 1011 HD3 LYS 32 HD2 LYS 32 14.769 24.355 5.874 1012 HE2 LYS 32 HE1 LYS 32 16.883 25.213 6.633 1013 HE3 LYS 32 HE2 LYS 32 17.230 23.730 7.549 1014 HZ1 LYS 32 HZ1 LYS 32 18.454 23.813 5.498 1015 HZ2 LYS 32 HZ2 LYS 32 17.386 22.558 5.471 1016 HZ3 LYS 32 HZ3 LYS 32 17.065 23.934 4.621 1017 H GLU 33 H GLU 33 10.184 22.800 8.029 1018 HA GLU 33 HA GLU 33 9.885 21.735 10.690 1019 HB2 GLU 33 HB1 GLU 33 8.506 23.537 9.627 1020 HB3 GLU 33 HB2 GLU 33 7.689 22.265 8.688 1021 HG2 GLU 33 HG1 GLU 33 6.270 22.686 10.503 1022 HG3 GLU 33 HG2 GLU 33 7.116 21.178 10.911 1023 H LEU 34 H LEU 34 9.541 20.213 7.461 1024 HA LEU 34 HA LEU 34 8.725 17.633 8.181 1025 HB2 LEU 34 HB1 LEU 34 9.112 18.289 5.899 1026 HB3 LEU 34 HB2 LEU 34 10.808 18.703 6.244 1027 HG LEU 34 HG LEU 34 11.211 16.260 6.715 1028 HD11 LEU 34 HD11 LEU 34 9.630 14.601 5.839 1029 HD12 LEU 34 HD12 LEU 34 8.922 15.549 7.168 1030 HD13 LEU 34 HD13 LEU 34 8.463 15.898 5.484 1031 HD21 LEU 34 HD21 LEU 34 11.404 15.743 4.322 1032 HD22 LEU 34 HD22 LEU 34 10.297 17.084 3.937 1033 HD23 LEU 34 HD23 LEU 34 11.884 17.423 4.669 1034 H LYS 35 H LYS 35 12.174 18.804 8.051 1035 HA LYS 35 HA LYS 35 13.361 16.530 9.181 1036 HB2 LYS 35 HB1 LYS 35 14.688 18.285 8.174 1037 HB3 LYS 35 HB2 LYS 35 14.102 19.481 9.354 1038 HG2 LYS 35 HG1 LYS 35 15.224 18.264 11.170 1039 HG3 LYS 35 HG2 LYS 35 15.776 17.026 10.016 1040 HD2 LYS 35 HD1 LYS 35 16.551 19.956 9.839 1041 HD3 LYS 35 HD2 LYS 35 17.517 18.724 10.685 1042 HE2 LYS 35 HE1 LYS 35 17.463 17.404 8.478 1043 HE3 LYS 35 HE2 LYS 35 16.860 18.898 7.728 1044 HZ1 LYS 35 HZ1 LYS 35 19.230 18.694 7.519 1045 HZ2 LYS 35 HZ2 LYS 35 18.852 19.995 8.458 1046 HZ3 LYS 35 HZ3 LYS 35 19.413 18.608 9.155 1047 H GLU 36 H GLU 36 11.721 19.226 10.745 1048 HA GLU 36 HA GLU 36 12.595 18.551 13.417 1049 HB2 GLU 36 HB1 GLU 36 12.147 20.859 12.307 1050 HB3 GLU 36 HB2 GLU 36 10.446 20.535 12.722 1051 HG2 GLU 36 HG1 GLU 36 11.512 21.825 14.482 1052 HG3 GLU 36 HG2 GLU 36 11.082 20.205 15.069 1053 H LEU 37 H LEU 37 9.474 18.155 11.603 1054 HA LEU 37 HA LEU 37 8.047 16.710 13.531 1055 HB2 LEU 37 HB1 LEU 37 6.952 17.132 11.526 1056 HB3 LEU 37 HB2 LEU 37 8.324 16.577 10.538 1057 HG LEU 37 HG LEU 37 7.788 14.242 11.205 1058 HD11 LEU 37 HD11 LEU 37 5.549 13.658 12.063 1059 HD12 LEU 37 HD12 LEU 37 6.483 14.594 13.246 1060 HD13 LEU 37 HD13 LEU 37 5.200 15.382 12.297 1061 HD21 LEU 37 HD21 LEU 37 5.873 14.043 9.639 1062 HD22 LEU 37 HD22 LEU 37 5.559 15.785 9.810 1063 HD23 LEU 37 HD23 LEU 37 7.069 15.223 9.055 1064 H ILE 38 H ILE 38 10.526 15.518 11.266 1065 HA ILE 38 HA ILE 38 10.677 12.856 12.283 1066 HB ILE 38 HB ILE 38 12.479 14.502 10.495 1067 HG12 ILE 38 HG13 ILE 38 10.657 12.202 9.723 1068 HG13 ILE 38 HG12 ILE 38 10.051 13.870 9.851 1069 HG21 ILE 38 HG21 ILE 38 13.529 12.393 9.728 1070 HG22 ILE 38 HG22 ILE 38 13.836 12.683 11.453 1071 HG23 ILE 38 HG23 ILE 38 12.606 11.497 10.951 1072 HD11 ILE 38 HD11 ILE 38 10.683 13.329 7.522 1073 HD12 ILE 38 HD12 ILE 38 11.722 14.606 8.190 1074 HD13 ILE 38 HD13 ILE 38 12.331 12.939 8.062 1075 H LYS 39 H LYS 39 11.947 15.759 13.647 1076 HA LYS 39 HA LYS 39 13.852 14.221 15.313 1077 HB2 LYS 39 HB1 LYS 39 13.649 17.010 14.291 1078 HB3 LYS 39 HB2 LYS 39 14.276 16.843 15.949 1079 HG2 LYS 39 HG1 LYS 39 15.375 15.206 13.650 1080 HG3 LYS 39 HG2 LYS 39 15.987 16.835 14.024 1081 HD2 LYS 39 HD1 LYS 39 16.583 16.128 16.301 1082 HD3 LYS 39 HD2 LYS 39 15.881 14.518 16.011 1083 HE2 LYS 39 HE1 LYS 39 17.495 14.098 14.220 1084 HE3 LYS 39 HE2 LYS 39 18.155 15.738 14.395 1085 HZ1 LYS 39 HZ1 LYS 39 19.499 14.114 15.521 1086 HZ2 LYS 39 HZ2 LYS 39 18.838 15.157 16.614 1087 HZ3 LYS 39 HZ3 LYS 39 18.225 13.635 16.451 1088 H LYS 40 H LYS 40 10.804 16.009 15.644 1089 HA LYS 40 HA LYS 40 11.157 16.205 18.586 1090 HB2 LYS 40 HB1 LYS 40 9.386 17.554 16.554 1091 HB3 LYS 40 HB2 LYS 40 8.949 17.558 18.279 1092 HG2 LYS 40 HG1 LYS 40 11.264 18.563 18.728 1093 HG3 LYS 40 HG2 LYS 40 11.400 18.800 16.970 1094 HD2 LYS 40 HD1 LYS 40 9.376 20.102 16.904 1095 HD3 LYS 40 HD2 LYS 40 8.980 19.675 18.586 1096 HE2 LYS 40 HE1 LYS 40 9.707 21.909 18.683 1097 HE3 LYS 40 HE2 LYS 40 11.095 20.955 19.245 1098 HZ1 LYS 40 HZ1 LYS 40 11.751 22.657 17.710 1099 HZ2 LYS 40 HZ2 LYS 40 12.045 21.169 17.066 1100 HZ3 LYS 40 HZ3 LYS 40 10.756 22.055 16.543 1101 H GLU 41 H GLU 41 8.758 15.084 16.130 1102 HA GLU 41 HA GLU 41 7.420 13.355 18.034 1103 HB2 GLU 41 HB1 GLU 41 5.967 13.384 16.388 1104 HB3 GLU 41 HB2 GLU 41 7.169 14.036 15.247 1105 HG2 GLU 41 HG1 GLU 41 6.150 12.022 14.365 1106 HG3 GLU 41 HG2 GLU 41 7.876 11.752 14.689 1107 H LEU 42 H LEU 42 9.803 12.629 15.363 1108 HA LEU 42 HA LEU 42 10.292 10.061 16.698 1109 HB2 LEU 42 HB1 LEU 42 10.294 10.871 14.019 1110 HB3 LEU 42 HB2 LEU 42 11.998 10.535 14.406 1111 HG LEU 42 HG LEU 42 9.680 8.637 14.926 1112 HD11 LEU 42 HD11 LEU 42 10.568 7.328 13.015 1113 HD12 LEU 42 HD12 LEU 42 10.081 8.962 12.509 1114 HD13 LEU 42 HD13 LEU 42 11.803 8.579 12.739 1115 HD21 LEU 42 HD21 LEU 42 11.423 6.919 15.315 1116 HD22 LEU 42 HD22 LEU 42 12.681 8.149 15.075 1117 HD23 LEU 42 HD23 LEU 42 11.573 8.265 16.464 1118 H CYS 43 H CYS 43 11.494 10.148 18.465 1119 HA CYS 43 HA CYS 43 13.436 12.230 18.913 1120 HB2 CYS 43 HB1 CYS 43 12.002 11.292 20.678 1121 HB3 CYS 43 HB2 CYS 43 12.830 9.724 20.513 1122 HG CYS 43 HG CYS 43 13.686 10.962 22.657 1123 H LEU 44 H LEU 44 14.665 11.778 16.909 1124 HA LEU 44 HA LEU 44 16.370 9.493 16.634 1125 HB2 LEU 44 HB1 LEU 44 16.178 12.192 15.286 1126 HB3 LEU 44 HB2 LEU 44 17.319 10.919 14.789 1127 HG LEU 44 HG LEU 44 14.288 10.751 14.834 1128 HD11 LEU 44 HD11 LEU 44 14.580 10.662 12.395 1129 HD12 LEU 44 HD12 LEU 44 15.298 12.139 13.086 1130 HD13 LEU 44 HD13 LEU 44 16.345 10.784 12.600 1131 HD21 LEU 44 HD21 LEU 44 14.453 8.539 13.773 1132 HD22 LEU 44 HD22 LEU 44 16.216 8.577 13.974 1133 HD23 LEU 44 HD23 LEU 44 15.156 8.539 15.403 1134 H GLY 45 H GLY 45 17.134 9.520 18.671 1135 HA2 GLY 45 HA2 GLY 45 19.520 10.475 18.485 1136 H GLU 46 H GLU 46 18.932 8.311 17.638 1137 HA GLU 46 HA GLU 46 21.071 6.682 18.780 1138 HB2 GLU 46 HB1 GLU 46 19.538 4.722 19.131 1139 HB3 GLU 46 HB2 GLU 46 19.356 6.050 20.302 1140 HG2 GLU 46 HG1 GLU 46 17.292 6.734 19.388 1141 HG3 GLU 46 HG2 GLU 46 17.571 5.864 17.864 1142 H MET 47 H MET 47 21.453 7.641 16.455 1143 HA MET 47 HA MET 47 20.348 6.114 14.269 1144 HB2 MET 47 HB1 MET 47 22.647 8.064 14.512 1145 HB3 MET 47 HB2 MET 47 22.321 7.173 13.005 1146 HG2 MET 47 HG1 MET 47 20.328 8.938 14.480 1147 HG3 MET 47 HG2 MET 47 21.244 9.416 13.040 1148 HE1 MET 47 HE1 MET 47 17.404 8.935 12.042 1149 HE2 MET 47 HE2 MET 47 17.991 9.321 13.678 1150 HE3 MET 47 HE3 MET 47 18.714 10.122 12.261 1151 H LYS 48 H LYS 48 20.880 4.266 13.555 1152 HA LYS 48 HA LYS 48 22.720 2.575 14.991 1153 HB2 LYS 48 HB1 LYS 48 20.326 2.451 13.508 1154 HB3 LYS 48 HB2 LYS 48 21.498 1.465 12.602 1155 HG2 LYS 48 HG1 LYS 48 20.846 -0.173 13.970 1156 HG3 LYS 48 HG2 LYS 48 21.948 0.601 15.135 1157 HD2 LYS 48 HD1 LYS 48 18.931 0.943 14.968 1158 HD3 LYS 48 HD2 LYS 48 19.844 0.065 16.220 1159 HE2 LYS 48 HE1 LYS 48 20.691 2.052 17.162 1160 HE3 LYS 48 HE2 LYS 48 20.311 3.010 15.715 1161 HZ1 LYS 48 HZ1 LYS 48 18.789 3.454 17.500 1162 HZ2 LYS 48 HZ2 LYS 48 17.993 2.757 16.235 1163 HZ3 LYS 48 HZ3 LYS 48 18.347 1.869 17.579 1164 H GLU 49 H GLU 49 22.850 4.199 11.896 1165 HA GLU 49 HA GLU 49 25.723 3.898 11.839 1166 HB2 GLU 49 HB1 GLU 49 26.001 2.403 10.276 1167 HB3 GLU 49 HB2 GLU 49 24.264 2.035 10.395 1168 HG2 GLU 49 HG1 GLU 49 24.565 2.224 8.139 1169 HG3 GLU 49 HG2 GLU 49 23.998 3.852 8.573 1170 H SER 50 H SER 50 26.569 5.293 9.994 1171 HA SER 50 HA SER 50 25.632 7.883 9.577 1172 HB2 SER 50 HB1 SER 50 27.095 6.648 7.321 1173 HB3 SER 50 HB2 SER 50 27.539 8.031 8.350 1174 HG SER 50 HG SER 50 29.010 6.277 8.535 1175 H SER 51 H SER 51 25.644 8.286 6.726 1176 HA SER 51 HA SER 51 24.603 8.083 4.738 1177 HB2 SER 51 HB1 SER 51 23.407 5.501 5.790 1178 HB3 SER 51 HB2 SER 51 23.328 6.069 4.104 1179 HG SER 51 HG SER 51 25.078 4.626 4.475 1180 H ILE 52 H ILE 52 22.339 7.378 7.404 1181 HA ILE 52 HA ILE 52 20.036 8.699 6.634 1182 HB ILE 52 HB ILE 52 19.689 9.096 9.020 1183 HG12 ILE 52 HG13 ILE 52 21.664 8.084 10.532 1184 HG13 ILE 52 HG12 ILE 52 22.653 8.788 9.231 1185 HG21 ILE 52 HG21 ILE 52 19.934 6.759 9.807 1186 HG22 ILE 52 HG22 ILE 52 19.389 6.822 8.117 1187 HG23 ILE 52 HG23 ILE 52 21.087 6.442 8.492 1188 HD11 ILE 52 HD11 ILE 52 22.387 10.384 11.110 1189 HD12 ILE 52 HD12 ILE 52 21.614 10.994 9.631 1190 HD13 ILE 52 HD13 ILE 52 20.622 10.290 10.930 1191 H ASP 53 H ASP 53 23.136 10.123 7.047 1192 HA ASP 53 HA ASP 53 22.066 12.828 7.472 1193 HB2 ASP 53 HB1 ASP 53 23.867 11.741 8.922 1194 HB3 ASP 53 HB2 ASP 53 24.960 11.979 7.541 1195 H ASP 54 H ASP 54 23.425 10.909 4.735 1196 HA ASP 54 HA ASP 54 23.397 13.229 3.057 1197 HB2 ASP 54 HB1 ASP 54 23.884 10.981 2.096 1198 HB3 ASP 54 HB2 ASP 54 22.179 10.535 2.333 1199 H LEU 55 H LEU 55 20.721 11.225 4.467 1200 HA LEU 55 HA LEU 55 18.660 12.574 3.027 1201 HB2 LEU 55 HB1 LEU 55 18.258 11.263 5.708 1202 HB3 LEU 55 HB2 LEU 55 17.129 11.390 4.337 1203 HG LEU 55 HG LEU 55 19.603 9.635 4.486 1204 HD11 LEU 55 HD11 LEU 55 17.954 7.786 4.492 1205 HD12 LEU 55 HD12 LEU 55 17.715 8.870 5.885 1206 HD13 LEU 55 HD13 LEU 55 16.625 8.971 4.479 1207 HD21 LEU 55 HD21 LEU 55 18.849 8.696 2.326 1208 HD22 LEU 55 HD22 LEU 55 17.528 9.884 2.273 1209 HD23 LEU 55 HD23 LEU 55 19.220 10.428 2.184 1210 H MET 56 H MET 56 19.909 13.064 6.394 1211 HA MET 56 HA MET 56 18.296 15.397 6.782 1212 HB2 MET 56 HB1 MET 56 20.670 14.322 8.310 1213 HB3 MET 56 HB2 MET 56 19.727 15.746 8.809 1214 HG2 MET 56 HG1 MET 56 18.599 12.966 8.320 1215 HG3 MET 56 HG2 MET 56 18.967 13.649 9.912 1216 HE1 MET 56 HE1 MET 56 15.599 14.516 10.928 1217 HE2 MET 56 HE2 MET 56 16.642 13.077 10.802 1218 HE3 MET 56 HE3 MET 56 17.326 14.626 11.350 1219 H LYS 57 H LYS 57 21.704 15.165 5.495 1220 HA LYS 57 HA LYS 57 21.818 18.048 5.244 1221 HB2 LYS 57 HB1 LYS 57 23.841 16.700 5.278 1222 HB3 LYS 57 HB2 LYS 57 23.350 15.892 3.770 1223 HG2 LYS 57 HG1 LYS 57 25.132 17.677 3.542 1224 HG3 LYS 57 HG2 LYS 57 23.716 17.853 2.479 1225 HD2 LYS 57 HD1 LYS 57 22.784 19.539 4.047 1226 HD3 LYS 57 HD2 LYS 57 24.252 19.393 5.043 1227 HE2 LYS 57 HE1 LYS 57 25.559 20.550 3.538 1228 HE3 LYS 57 HE2 LYS 57 24.587 20.051 2.138 1229 HZ1 LYS 57 HZ1 LYS 57 24.299 22.376 2.635 1230 HZ2 LYS 57 HZ2 LYS 57 22.880 21.570 2.863 1231 HZ3 LYS 57 HZ3 LYS 57 23.782 22.034 4.163 1232 H SER 58 H SER 58 20.266 15.559 3.359 1233 HA SER 58 HA SER 58 19.840 17.154 1.012 1234 HB2 SER 58 HB1 SER 58 18.806 14.490 1.930 1235 HB3 SER 58 HB2 SER 58 18.046 15.324 0.551 1236 HG SER 58 HG SER 58 19.794 13.961 -0.085 1237 H LEU 59 H LEU 59 18.026 16.829 4.066 1238 HA LEU 59 HA LEU 59 15.946 18.655 3.165 1239 HB2 LEU 59 HB1 LEU 59 16.814 17.802 5.939 1240 HB3 LEU 59 HB2 LEU 59 15.326 18.693 5.541 1241 HG LEU 59 HG LEU 59 16.054 15.840 4.842 1242 HD11 LEU 59 HD11 LEU 59 13.986 15.369 6.091 1243 HD12 LEU 59 HD12 LEU 59 15.145 16.296 7.075 1244 HD13 LEU 59 HD13 LEU 59 13.741 17.115 6.347 1245 HD21 LEU 59 HD21 LEU 59 13.949 15.652 3.574 1246 HD22 LEU 59 HD22 LEU 59 13.678 17.397 3.770 1247 HD23 LEU 59 HD23 LEU 59 15.065 16.810 2.820 1248 H ASP 60 H ASP 60 19.108 19.157 3.613 1249 HA ASP 60 HA ASP 60 18.752 22.094 3.822 1250 HB2 ASP 60 HB1 ASP 60 19.809 20.936 5.821 1251 HB3 ASP 60 HB2 ASP 60 21.180 20.556 4.759 1252 H LYS 61 H LYS 61 18.825 19.975 1.563 1253 HA LYS 61 HA LYS 61 20.713 21.130 -0.333 1254 HB2 LYS 61 HB1 LYS 61 19.417 18.821 -0.220 1255 HB3 LYS 61 HB2 LYS 61 18.121 19.745 -1.016 1256 HG2 LYS 61 HG1 LYS 61 19.220 18.700 -2.779 1257 HG3 LYS 61 HG2 LYS 61 19.900 20.346 -2.778 1258 HD2 LYS 61 HD1 LYS 61 21.644 18.683 -3.141 1259 HD3 LYS 61 HD2 LYS 61 21.887 19.542 -1.602 1260 HE2 LYS 61 HE1 LYS 61 22.421 17.136 -1.455 1261 HE3 LYS 61 HE2 LYS 61 21.120 17.624 -0.348 1262 HZ1 LYS 61 HZ1 LYS 61 20.642 15.539 -1.419 1263 HZ2 LYS 61 HZ2 LYS 61 19.549 16.682 -1.880 1264 HZ3 LYS 61 HZ3 LYS 61 20.756 16.228 -2.909 1265 H ASN 62 H ASN 62 17.767 22.070 1.031 1266 HA ASN 62 HA ASN 62 17.394 24.581 -0.041 1267 HB2 ASN 62 HB1 ASN 62 15.369 24.382 -1.373 1268 HB3 ASN 62 HB2 ASN 62 16.790 23.661 -2.160 1269 HD21 ASN 62 HD21 ASN 62 13.855 23.231 -2.538 1270 HD22 ASN 62 HD22 ASN 62 13.630 21.498 -2.368 1271 H SER 63 H SER 63 15.107 25.444 0.780 1272 HA SER 63 HA SER 63 14.752 24.101 3.394 1273 HB2 SER 63 HB1 SER 63 14.991 26.705 4.184 1274 HB3 SER 63 HB2 SER 63 16.263 25.465 4.285 1275 HG SER 63 HG SER 63 17.000 27.424 3.350 1276 H ASP 64 H ASP 64 12.957 25.526 0.878 1277 HA ASP 64 HA ASP 64 11.706 27.549 2.702 1278 HB2 ASP 64 HB1 ASP 64 12.382 28.296 -0.119 1279 HB3 ASP 64 HB2 ASP 64 12.452 29.275 1.362 1280 H GLN 65 H GLN 65 10.981 24.970 1.166 1281 HA GLN 65 HA GLN 65 8.612 25.850 -0.413 1282 HB2 GLN 65 HB1 GLN 65 10.852 23.882 -1.085 1283 HB3 GLN 65 HB2 GLN 65 9.323 23.988 -1.987 1284 HG2 GLN 65 HG1 GLN 65 9.848 26.212 -2.756 1285 HG3 GLN 65 HG2 GLN 65 11.257 26.314 -1.678 1286 HE21 GLN 65 HE12 GLN 65 10.355 25.709 -4.881 1287 HE22 GLN 65 HE22 GLN 65 11.768 24.812 -5.383 1288 H GLU 66 H GLU 66 6.872 24.307 -0.224 1289 HA GLU 66 HA GLU 66 7.299 22.376 1.931 1290 HB2 GLU 66 HB1 GLU 66 4.665 22.464 0.582 1291 HB3 GLU 66 HB2 GLU 66 5.085 22.251 2.300 1292 HG2 GLU 66 HG1 GLU 66 4.133 24.293 2.493 1293 HG3 GLU 66 HG2 GLU 66 5.730 24.868 1.971 1294 H ILE 67 H ILE 67 6.928 20.167 1.812 1295 HA ILE 67 HA ILE 67 6.628 19.027 -0.922 1296 HB ILE 67 HB ILE 67 7.348 16.889 0.243 1297 HG12 ILE 67 HG13 ILE 67 8.624 18.604 2.352 1298 HG13 ILE 67 HG12 ILE 67 6.969 17.991 2.583 1299 HG21 ILE 67 HG21 ILE 67 9.745 17.438 0.057 1300 HG22 ILE 67 HG22 ILE 67 8.801 18.155 -1.268 1301 HG23 ILE 67 HG23 ILE 67 9.345 19.170 0.091 1302 HD11 ILE 67 HD11 ILE 67 8.631 16.481 3.606 1303 HD12 ILE 67 HD12 ILE 67 7.778 15.690 2.263 1304 HD13 ILE 67 HD13 ILE 67 9.432 16.302 2.029 1305 H ASP 68 H ASP 68 4.932 17.573 -1.363 1306 HA ASP 68 HA ASP 68 2.872 17.314 0.675 1307 HB2 ASP 68 HB1 ASP 68 1.470 16.745 -0.948 1308 HB3 ASP 68 HB2 ASP 68 2.740 17.397 -2.006 1309 H PHE 69 H PHE 69 1.908 14.932 0.763 1310 HA PHE 69 HA PHE 69 3.310 13.596 2.703 1311 HB2 PHE 69 HB1 PHE 69 1.395 12.430 0.656 1312 HB3 PHE 69 HB2 PHE 69 1.768 11.734 2.243 1313 HD1 PHE 69 HD1 PHE 69 0.875 12.749 4.308 1314 HD2 PHE 69 HD2 PHE 69 -0.209 14.226 0.409 1315 HE1 PHE 69 HE1 PHE 69 -1.188 13.752 5.258 1316 HE2 PHE 69 HE2 PHE 69 -2.288 15.207 1.361 1317 HZ PHE 69 HZ PHE 69 -2.775 14.968 3.788 1318 H LYS 70 H LYS 70 4.110 13.380 -0.715 1319 HA LYS 70 HA LYS 70 4.775 10.566 -0.786 1320 HB2 LYS 70 HB1 LYS 70 5.315 12.918 -2.630 1321 HB3 LYS 70 HB2 LYS 70 5.697 11.227 -3.032 1322 HG2 LYS 70 HG1 LYS 70 3.340 10.638 -2.961 1323 HG3 LYS 70 HG2 LYS 70 2.915 12.283 -2.430 1324 HD2 LYS 70 HD1 LYS 70 4.143 13.127 -4.541 1325 HD3 LYS 70 HD2 LYS 70 4.158 11.435 -5.091 1326 HE2 LYS 70 HE1 LYS 70 2.162 12.287 -6.001 1327 HE3 LYS 70 HE2 LYS 70 1.630 11.451 -4.528 1328 HZ1 LYS 70 HZ1 LYS 70 0.631 13.612 -4.733 1329 HZ2 LYS 70 HZ2 LYS 70 1.613 13.566 -3.410 1330 HZ3 LYS 70 HZ3 LYS 70 2.107 14.343 -4.780 1331 H GLU 71 H GLU 71 6.764 13.565 -1.026 1332 HA GLU 71 HA GLU 71 9.312 12.373 -0.754 1333 HB2 GLU 71 HB1 GLU 71 8.185 15.067 0.037 1334 HB3 GLU 71 HB2 GLU 71 9.894 14.644 0.297 1335 HG2 GLU 71 HG1 GLU 71 9.019 14.092 -2.440 1336 HG3 GLU 71 HG2 GLU 71 8.793 15.795 -1.990 1337 H TYR 72 H TYR 72 6.887 13.397 1.679 1338 HA TYR 72 HA TYR 72 8.503 12.923 3.985 1339 HB2 TYR 72 HB1 TYR 72 6.655 14.251 4.334 1340 HB3 TYR 72 HB2 TYR 72 5.586 13.212 3.376 1341 HD1 TYR 72 HD1 TYR 72 7.641 12.942 6.548 1342 HD2 TYR 72 HD2 TYR 72 3.946 12.080 4.510 1343 HE1 TYR 72 HE1 TYR 72 6.721 11.946 8.633 1344 HE2 TYR 72 HE2 TYR 72 2.975 11.203 6.620 1345 HH TYR 72 HH TYR 72 3.320 10.812 8.855 1346 H SER 73 H SER 73 6.130 10.733 2.316 1347 HA SER 73 HA SER 73 6.657 8.594 4.160 1348 HB2 SER 73 HB1 SER 73 5.239 7.242 2.730 1349 HB3 SER 73 HB2 SER 73 4.506 8.836 3.040 1350 HG SER 73 HG SER 73 4.319 8.179 0.855 1351 H VAL 74 H VAL 74 8.027 9.309 0.855 1352 HA VAL 74 HA VAL 74 9.582 6.901 0.912 1353 HB VAL 74 HB VAL 74 10.997 7.750 -0.797 1354 HG11 VAL 74 HG11 VAL 74 9.347 8.049 -2.585 1355 HG12 VAL 74 HG12 VAL 74 8.856 6.798 -1.423 1356 HG13 VAL 74 HG13 VAL 74 8.106 8.412 -1.366 1357 HG21 VAL 74 HG21 VAL 74 10.786 9.951 -1.857 1358 HG22 VAL 74 HG22 VAL 74 9.613 10.423 -0.615 1359 HG23 VAL 74 HG23 VAL 74 11.297 10.066 -0.163 1360 H PHE 75 H PHE 75 10.232 10.183 2.252 1361 HA PHE 75 HA PHE 75 12.997 9.675 2.821 1362 HB2 PHE 75 HB1 PHE 75 11.830 11.914 2.825 1363 HB3 PHE 75 HB2 PHE 75 11.084 11.452 4.364 1364 HD1 PHE 75 HD1 PHE 75 12.712 10.909 6.371 1365 HD2 PHE 75 HD2 PHE 75 13.912 12.885 2.737 1366 HE1 PHE 75 HE1 PHE 75 14.678 11.886 7.544 1367 HE2 PHE 75 HE2 PHE 75 15.902 13.802 3.891 1368 HZ PHE 75 HZ PHE 75 16.292 13.309 6.296 1369 H LEU 76 H LEU 76 10.000 9.295 4.829 1370 HA LEU 76 HA LEU 76 11.275 8.109 7.063 1371 HB2 LEU 76 HB1 LEU 76 8.529 8.313 5.964 1372 HB3 LEU 76 HB2 LEU 76 8.819 6.965 7.089 1373 HG LEU 76 HG LEU 76 7.895 8.921 8.209 1374 HD11 LEU 76 HD11 LEU 76 9.524 9.067 10.068 1375 HD12 LEU 76 HD12 LEU 76 9.367 7.404 9.464 1376 HD13 LEU 76 HD13 LEU 76 10.779 8.387 9.010 1377 HD21 LEU 76 HD21 LEU 76 9.195 10.994 8.558 1378 HD22 LEU 76 HD22 LEU 76 10.449 10.379 7.462 1379 HD23 LEU 76 HD23 LEU 76 8.819 10.736 6.843 1380 H THR 77 H THR 77 9.894 6.558 4.112 1381 HA THR 77 HA THR 77 10.473 3.865 4.772 1382 HB THR 77 HB THR 77 10.286 5.307 2.112 1383 HG1 THR 77 HG1 THR 77 8.222 4.329 2.220 1384 HG21 THR 77 HG21 THR 77 9.909 3.099 1.065 1385 HG22 THR 77 HG22 THR 77 11.538 3.215 1.766 1386 HG23 THR 77 HG23 THR 77 10.263 2.309 2.616 1387 H MET 78 H MET 78 12.431 6.260 3.014 1388 HA MET 78 HA MET 78 14.686 4.610 2.467 1389 HB2 MET 78 HB1 MET 78 14.086 6.614 1.225 1390 HB3 MET 78 HB2 MET 78 14.301 7.614 2.681 1391 HG2 MET 78 HG1 MET 78 16.607 7.468 2.605 1392 HG3 MET 78 HG2 MET 78 16.589 5.998 1.615 1393 HE1 MET 78 HE1 MET 78 15.204 10.010 -0.293 1394 HE2 MET 78 HE2 MET 78 14.170 8.889 0.616 1395 HE3 MET 78 HE3 MET 78 15.419 9.836 1.463 1396 H LEU 79 H LEU 79 13.933 6.769 5.222 1397 HA LEU 79 HA LEU 79 16.483 6.480 6.519 1398 HB2 LEU 79 HB1 LEU 79 14.998 8.396 6.801 1399 HB3 LEU 79 HB2 LEU 79 13.746 7.344 7.504 1400 HG LEU 79 HG LEU 79 15.067 6.971 9.470 1401 HD11 LEU 79 HD11 LEU 79 17.275 8.027 9.836 1402 HD12 LEU 79 HD12 LEU 79 17.315 6.900 8.463 1403 HD13 LEU 79 HD13 LEU 79 17.246 8.654 8.175 1404 HD21 LEU 79 HD21 LEU 79 15.174 9.281 10.363 1405 HD22 LEU 79 HD22 LEU 79 15.105 9.923 8.705 1406 HD23 LEU 79 HD23 LEU 79 13.715 9.039 9.378 1407 H CYS 80 H CYS 80 13.365 4.752 6.835 1408 HA CYS 80 HA CYS 80 14.197 2.957 8.920 1409 HB2 CYS 80 HB1 CYS 80 11.848 3.695 8.052 1410 HB3 CYS 80 HB2 CYS 80 12.072 2.413 6.833 1411 HG CYS 80 HG CYS 80 10.529 1.548 8.763 1412 H MET 81 H MET 81 14.493 2.838 5.346 1413 HA MET 81 HA MET 81 15.650 0.169 5.376 1414 HB2 MET 81 HB1 MET 81 14.399 1.536 3.499 1415 HB3 MET 81 HB2 MET 81 16.048 2.092 3.120 1416 HG2 MET 81 HG1 MET 81 15.275 -0.823 3.367 1417 HG3 MET 81 HG2 MET 81 15.204 0.073 1.841 1418 HE1 MET 81 HE1 MET 81 19.030 1.006 1.411 1419 HE2 MET 81 HE2 MET 81 17.379 1.281 0.801 1420 HE3 MET 81 HE3 MET 81 17.855 1.911 2.397 1421 H ALA 82 H ALA 82 16.992 3.492 5.349 1422 HA ALA 82 HA ALA 82 19.728 2.845 5.333 1423 HB1 ALA 82 HB1 ALA 82 20.035 5.081 6.325 1424 HB2 ALA 82 HB2 ALA 82 18.836 5.110 5.012 1425 HB3 ALA 82 HB3 ALA 82 18.298 5.150 6.708 1426 H TYR 83 H TYR 83 17.457 2.953 8.154 1427 HA TYR 83 HA TYR 83 19.036 0.733 9.142 1428 HB2 TYR 83 HB1 TYR 83 19.607 1.521 11.258 1429 HB3 TYR 83 HB2 TYR 83 20.058 2.821 10.143 1430 HD1 TYR 83 HD1 TYR 83 18.447 4.859 9.949 1431 HD2 TYR 83 HD2 TYR 83 18.211 1.909 13.077 1432 HE1 TYR 83 HE1 TYR 83 16.903 6.331 11.225 1433 HE2 TYR 83 HE2 TYR 83 16.818 3.445 14.436 1434 HH TYR 83 HH TYR 83 15.625 5.399 14.456 1435 H ASN 84 H ASN 84 17.429 -0.769 9.084 1436 HA ASN 84 HA ASN 84 16.247 -0.927 11.645 1437 HB2 ASN 84 HB1 ASN 84 14.411 0.269 10.061 1438 HB3 ASN 84 HB2 ASN 84 14.015 -1.438 9.763 1439 HD21 ASN 84 HD21 ASN 84 12.623 0.782 11.367 1440 HD22 ASN 84 HD22 ASN 84 12.352 0.070 12.947 1441 H ASP 85 H ASP 85 15.472 -3.021 12.189 1442 HA ASP 85 HA ASP 85 16.850 -5.163 10.748 1443 HB2 ASP 85 HB1 ASP 85 17.048 -4.970 13.165 1444 HB3 ASP 85 HB2 ASP 85 15.282 -4.988 13.350 1445 H PHE 86 H PHE 86 13.488 -4.065 11.180 1446 HA PHE 86 HA PHE 86 12.306 -6.641 11.282 1447 HB2 PHE 86 HB1 PHE 86 10.970 -4.035 10.525 1448 HB3 PHE 86 HB2 PHE 86 10.230 -5.450 11.293 1449 HD1 PHE 86 HD2 PHE 86 12.400 -5.898 13.460 1450 HD2 PHE 86 HD1 PHE 86 10.335 -2.387 12.062 1451 HE1 PHE 86 HE2 PHE 86 12.759 -4.805 15.664 1452 HE2 PHE 86 HE1 PHE 86 10.673 -1.305 14.267 1453 HZ PHE 86 HZ PHE 86 11.903 -2.506 16.067 1454 H PHE 87 H PHE 87 13.603 -5.321 8.516 1455 HA PHE 87 HA PHE 87 12.222 -7.301 6.883 1456 HB2 PHE 87 HB1 PHE 87 11.619 -5.817 5.115 1457 HB3 PHE 87 HB2 PHE 87 10.873 -5.283 6.630 1458 HD1 PHE 87 HD1 PHE 87 12.296 -3.341 7.916 1459 HD2 PHE 87 HD2 PHE 87 12.476 -4.231 3.707 1460 HE1 PHE 87 HE1 PHE 87 13.028 -1.017 7.451 1461 HE2 PHE 87 HE2 PHE 87 13.168 -1.893 3.239 1462 HZ PHE 87 HZ PHE 87 13.437 -0.281 5.117 1463 H LEU 88 H LEU 88 14.961 -6.951 8.028 1464 HA LEU 88 HA LEU 88 16.838 -5.938 6.275 1465 HB2 LEU 88 HB1 LEU 88 18.468 -7.006 7.566 1466 HB3 LEU 88 HB2 LEU 88 17.126 -6.554 8.644 1467 HG LEU 88 HG LEU 88 17.901 -8.529 9.476 1468 HD11 LEU 88 HD11 LEU 88 16.229 -10.326 9.181 1469 HD12 LEU 88 HD12 LEU 88 15.475 -8.728 9.303 1470 HD13 LEU 88 HD13 LEU 88 15.644 -9.517 7.717 1471 HD21 LEU 88 HD21 LEU 88 18.452 -10.580 8.213 1472 HD22 LEU 88 HD22 LEU 88 17.982 -9.765 6.710 1473 HD23 LEU 88 HD23 LEU 88 19.381 -9.181 7.642 1474 H GLU 89 H GLU 89 18.360 -6.694 4.845 1475 HA GLU 89 HA GLU 89 17.331 -8.652 2.958 1476 HB2 GLU 89 HB1 GLU 89 18.361 -6.431 2.387 1477 HB3 GLU 89 HB2 GLU 89 19.929 -7.082 2.920 1478 HG2 GLU 89 HG1 GLU 89 20.021 -8.629 1.135 1479 HG3 GLU 89 HG2 GLU 89 18.289 -8.455 0.778 1480 H ASP 90 H ASP 90 20.198 -8.512 5.153 1481 HA ASP 90 HA ASP 90 21.990 -9.930 5.434 1482 HB2 ASP 90 HB1 ASP 90 19.899 -11.154 6.324 1483 HB3 ASP 90 HB2 ASP 90 20.065 -12.184 4.886 1484 H ASN 91 H ASN 91 22.534 -12.564 3.959 1485 HA ASN 91 HA ASN 91 21.647 -11.892 1.205 1486 HB2 ASN 91 HB1 ASN 91 23.468 -12.934 0.241 1487 HB3 ASN 91 HB2 ASN 91 24.167 -12.074 1.632 1488 HD21 ASN 91 HD21 ASN 91 23.271 -15.255 0.345 1489 HD22 ASN 91 HD22 ASN 91 24.271 -16.185 1.448 1490 H LYS 92 H LYS 92 20.846 -13.713 3.836 1491 HA LYS 92 HA LYS 92 18.977 -15.293 2.234 1492 HB2 LYS 92 HB1 LYS 92 19.701 -16.915 4.487 1493 HB3 LYS 92 HB2 LYS 92 19.567 -17.328 2.761 1494 HG2 LYS 92 HG1 LYS 92 21.678 -18.033 3.493 1495 HG3 LYS 92 HG2 LYS 92 21.924 -16.591 2.478 1496 HD2 LYS 92 HD1 LYS 92 23.430 -16.731 4.456 1497 HD3 LYS 92 HD2 LYS 92 22.452 -15.246 4.385 1498 HE2 LYS 92 HE1 LYS 92 21.200 -17.425 5.927 1499 HE3 LYS 92 HE2 LYS 92 22.751 -16.870 6.595 1500 HZ1 LYS 92 HZ1 LYS 92 20.911 -15.639 7.483 1501 HZ2 LYS 92 HZ2 LYS 92 21.884 -14.647 6.597 1502 HZ3 LYS 92 HZ3 LYS 92 20.444 -15.159 5.978 Start of MODEL 20 1 HA MET 1 HA MET 1 9.849 0.936 22.426 2 HB2 MET 1 HB1 MET 1 10.313 0.400 20.067 3 HB3 MET 1 HB2 MET 1 10.415 2.138 19.696 4 HG2 MET 1 HG1 MET 1 12.346 2.306 21.277 5 HG3 MET 1 HG2 MET 1 12.280 0.548 21.490 6 HE1 MET 1 HE1 MET 1 14.970 -0.351 19.106 7 HE2 MET 1 HE2 MET 1 14.816 0.296 20.756 8 HE3 MET 1 HE3 MET 1 13.726 -0.997 20.199 9 H GLU 2 H GLU 2 11.072 3.779 20.841 10 HA GLU 2 HA GLU 2 9.633 5.720 22.385 11 HB2 GLU 2 HB1 GLU 2 10.621 6.115 19.568 12 HB3 GLU 2 HB2 GLU 2 10.473 7.303 20.885 13 HG2 GLU 2 HG1 GLU 2 12.614 5.241 20.405 14 HG3 GLU 2 HG2 GLU 2 12.771 6.986 20.695 15 H THR 3 H THR 3 8.790 5.896 18.881 16 HA THR 3 HA THR 3 6.587 7.214 20.270 17 HB THR 3 HB THR 3 6.521 8.606 18.277 18 HG1 THR 3 HG1 THR 3 7.862 8.022 16.512 19 HG21 THR 3 HG21 THR 3 8.852 9.441 18.123 20 HG22 THR 3 HG22 THR 3 8.393 9.120 19.808 21 HG23 THR 3 HG23 THR 3 9.427 7.967 18.931 22 HA PRO 4 HA PRO 4 3.185 4.994 18.424 23 HB2 PRO 4 HB1 PRO 4 1.484 7.005 17.553 24 HB3 PRO 4 HB2 PRO 4 1.636 6.434 19.248 25 HG2 PRO 4 HG1 PRO 4 2.949 8.824 17.965 26 HG3 PRO 4 HG2 PRO 4 2.143 8.728 19.566 27 HD2 PRO 4 HD1 PRO 4 4.857 8.584 19.308 28 HD3 PRO 4 HD2 PRO 4 3.992 7.573 20.505 29 H LEU 5 H LEU 5 4.873 7.490 16.498 30 HA LEU 5 HA LEU 5 3.909 6.337 14.010 31 HB2 LEU 5 HB1 LEU 5 4.572 8.835 14.614 32 HB3 LEU 5 HB2 LEU 5 6.145 8.292 13.983 33 HG LEU 5 HG LEU 5 3.690 7.643 12.395 34 HD11 LEU 5 HD11 LEU 5 3.686 9.858 11.299 35 HD12 LEU 5 HD12 LEU 5 3.321 9.988 13.033 36 HD13 LEU 5 HD13 LEU 5 4.941 10.416 12.430 37 HD21 LEU 5 HD21 LEU 5 5.159 8.027 10.451 38 HD22 LEU 5 HD22 LEU 5 6.461 8.542 11.546 39 HD23 LEU 5 HD23 LEU 5 5.870 6.864 11.590 40 H GLU 6 H GLU 6 7.003 5.898 15.929 41 HA GLU 6 HA GLU 6 7.984 4.075 14.000 42 HB2 GLU 6 HB1 GLU 6 9.393 3.141 15.422 43 HB3 GLU 6 HB2 GLU 6 9.145 4.759 16.120 44 HG2 GLU 6 HG1 GLU 6 9.513 3.334 17.890 45 HG3 GLU 6 HG2 GLU 6 7.771 3.683 17.893 46 H LYS 7 H LYS 7 5.195 3.741 16.216 47 HA LYS 7 HA LYS 7 4.953 0.984 15.540 48 HB2 LYS 7 HB1 LYS 7 2.560 2.585 16.320 49 HB3 LYS 7 HB2 LYS 7 2.792 0.821 16.368 50 HG2 LYS 7 HG1 LYS 7 3.840 2.932 18.231 51 HG3 LYS 7 HG2 LYS 7 2.901 1.465 18.595 52 HD2 LYS 7 HD1 LYS 7 5.807 1.622 17.772 53 HD3 LYS 7 HD2 LYS 7 5.165 1.208 19.379 54 HE2 LYS 7 HE1 LYS 7 4.603 -0.943 18.756 55 HE3 LYS 7 HE2 LYS 7 4.374 -0.510 17.047 56 HZ1 LYS 7 HZ1 LYS 7 6.369 -1.785 17.382 57 HZ2 LYS 7 HZ2 LYS 7 6.753 -0.268 16.856 58 HZ3 LYS 7 HZ3 LYS 7 6.966 -0.671 18.441 59 H ALA 8 H ALA 8 3.955 3.857 13.727 60 HA ALA 8 HA ALA 8 2.317 2.471 11.864 61 HB1 ALA 8 HB1 ALA 8 2.719 4.399 10.387 62 HB2 ALA 8 HB2 ALA 8 2.348 4.913 12.050 63 HB3 ALA 8 HB3 ALA 8 4.027 4.950 11.461 64 H LEU 9 H LEU 9 5.867 3.258 11.625 65 HA LEU 9 HA LEU 9 6.237 1.810 9.211 66 HB2 LEU 9 HB1 LEU 9 8.051 2.820 11.380 67 HB3 LEU 9 HB2 LEU 9 8.699 1.766 10.101 68 HG LEU 9 HG LEU 9 9.147 4.094 9.643 69 HD11 LEU 9 HD11 LEU 9 8.280 4.264 7.337 70 HD12 LEU 9 HD12 LEU 9 8.816 2.616 7.721 71 HD13 LEU 9 HD13 LEU 9 7.081 3.007 7.705 72 HD21 LEU 9 HD21 LEU 9 7.385 5.742 9.124 73 HD22 LEU 9 HD22 LEU 9 6.148 4.543 9.559 74 HD23 LEU 9 HD23 LEU 9 7.270 5.159 10.797 75 H THR 10 H THR 10 6.565 0.684 12.646 76 HA THR 10 HA THR 10 7.525 -1.903 11.919 77 HB THR 10 HB THR 10 6.563 -2.564 14.243 78 HG1 THR 10 HG1 THR 10 6.440 -0.749 15.607 79 HG21 THR 10 HG21 THR 10 8.599 -1.575 15.245 80 HG22 THR 10 HG22 THR 10 8.933 -2.230 13.624 81 HG23 THR 10 HG23 THR 10 8.747 -0.475 13.853 82 H THR 11 H THR 11 4.180 -0.730 12.432 83 HA THR 11 HA THR 11 2.853 -3.222 12.083 84 HB THR 11 HB THR 11 1.973 -0.401 11.390 85 HG1 THR 11 HG1 THR 11 0.989 -0.645 13.460 86 HG21 THR 11 HG21 THR 11 -0.356 -1.220 11.656 87 HG22 THR 11 HG22 THR 11 0.462 -2.037 10.310 88 HG23 THR 11 HG23 THR 11 0.260 -2.871 11.870 89 H MET 12 H MET 12 4.267 -0.966 9.739 90 HA MET 12 HA MET 12 2.966 -2.136 7.444 91 HB2 MET 12 HB1 MET 12 5.367 -0.300 7.682 92 HB3 MET 12 HB2 MET 12 4.648 -0.814 6.136 93 HG2 MET 12 HG1 MET 12 2.671 0.384 6.514 94 HG3 MET 12 HG2 MET 12 2.947 0.485 8.262 95 HE1 MET 12 HE1 MET 12 3.260 3.940 5.735 96 HE2 MET 12 HE2 MET 12 2.885 2.340 5.053 97 HE3 MET 12 HE3 MET 12 1.985 2.936 6.468 98 H VAL 13 H VAL 13 6.385 -2.320 8.639 99 HA VAL 13 HA VAL 13 7.167 -4.255 6.713 100 HB VAL 13 HB VAL 13 9.148 -4.690 8.088 101 HG11 VAL 13 HG11 VAL 13 10.104 -2.413 7.951 102 HG12 VAL 13 HG12 VAL 13 9.104 -2.789 6.529 103 HG13 VAL 13 HG13 VAL 13 8.464 -1.738 7.815 104 HG21 VAL 13 HG21 VAL 13 9.572 -3.432 10.169 105 HG22 VAL 13 HG22 VAL 13 7.921 -2.780 10.105 106 HG23 VAL 13 HG23 VAL 13 8.182 -4.525 10.336 107 H THR 14 H THR 14 5.599 -4.695 9.860 108 HA THR 14 HA THR 14 6.119 -7.509 10.127 109 HB THR 14 HB THR 14 3.843 -5.842 11.266 110 HG1 THR 14 HG1 THR 14 5.266 -5.829 13.076 111 HG21 THR 14 HG21 THR 14 3.750 -7.597 13.026 112 HG22 THR 14 HG22 THR 14 3.406 -8.283 11.423 113 HG23 THR 14 HG23 THR 14 5.006 -8.516 12.167 114 H THR 15 H THR 15 3.263 -5.689 8.898 115 HA THR 15 HA THR 15 1.786 -8.006 8.080 116 HB THR 15 HB THR 15 1.593 -5.177 6.997 117 HG1 THR 15 HG1 THR 15 0.112 -4.944 8.750 118 HG21 THR 15 HG21 THR 15 -0.811 -5.734 6.737 119 HG22 THR 15 HG22 THR 15 0.211 -6.844 5.798 120 HG23 THR 15 HG23 THR 15 -0.490 -7.373 7.346 121 H PHE 16 H PHE 16 4.035 -5.825 6.346 122 HA PHE 16 HA PHE 16 3.966 -6.988 3.779 123 HB2 PHE 16 HB1 PHE 16 4.940 -4.856 4.445 124 HB3 PHE 16 HB2 PHE 16 6.158 -5.694 5.422 125 HD1 PHE 16 HD2 PHE 16 5.603 -7.142 2.090 126 HD2 PHE 16 HD1 PHE 16 7.716 -4.146 4.351 127 HE1 PHE 16 HE2 PHE 16 7.326 -6.987 0.307 128 HE2 PHE 16 HE1 PHE 16 9.326 -3.866 2.481 129 HZ PHE 16 HZ PHE 16 9.064 -5.222 0.416 130 H HIS 17 H HIS 17 5.768 -8.083 6.695 131 HA HIS 17 HA HIS 17 7.442 -9.971 5.437 132 HB2 HIS 17 HB1 HIS 17 7.065 -9.094 8.003 133 HB3 HIS 17 HB2 HIS 17 6.403 -10.736 8.099 134 HD1 HIS 17 HD1 HIS 17 9.665 -8.926 8.035 135 HD2 HIS 17 HD2 HIS 17 8.205 -12.755 7.125 136 HE1 HIS 17 HE1 HIS 17 11.695 -10.455 7.884 137 HE2 HIS 17 HE2 HIS 17 10.838 -12.813 7.330 138 H LYS 18 H LYS 18 4.040 -10.168 6.287 139 HA LYS 18 HA LYS 18 3.590 -12.960 6.061 140 HB2 LYS 18 HB1 LYS 18 2.223 -10.778 6.894 141 HB3 LYS 18 HB2 LYS 18 1.477 -10.986 5.291 142 HG2 LYS 18 HG1 LYS 18 1.035 -13.406 5.959 143 HG3 LYS 18 HG2 LYS 18 1.499 -12.935 7.612 144 HD2 LYS 18 HD1 LYS 18 -0.229 -11.080 7.463 145 HD3 LYS 18 HD2 LYS 18 -0.775 -11.806 5.931 146 HE2 LYS 18 HE1 LYS 18 -2.239 -12.659 7.599 147 HE3 LYS 18 HE2 LYS 18 -1.106 -13.979 7.238 148 HZ1 LYS 18 HZ1 LYS 18 -1.435 -13.708 9.594 149 HZ2 LYS 18 HZ2 LYS 18 0.129 -13.368 9.199 150 HZ3 LYS 18 HZ3 LYS 18 -0.924 -12.143 9.533 151 H TYR 19 H TYR 19 4.279 -10.694 3.572 152 HA TYR 19 HA TYR 19 3.118 -12.416 1.440 153 HB2 TYR 19 HB1 TYR 19 3.391 -9.389 1.559 154 HB3 TYR 19 HB2 TYR 19 2.779 -10.310 0.173 155 HD1 TYR 19 HD1 TYR 19 0.664 -11.754 0.524 156 HD2 TYR 19 HD2 TYR 19 1.936 -8.743 3.320 157 HE1 TYR 19 HE1 TYR 19 -1.620 -11.707 1.504 158 HE2 TYR 19 HE2 TYR 19 -0.361 -8.637 4.264 159 HH TYR 19 HH TYR 19 -2.472 -9.506 4.222 160 H SER 20 H SER 20 5.893 -12.327 2.733 161 HA SER 20 HA SER 20 7.536 -12.002 0.303 162 HB2 SER 20 HB1 SER 20 9.092 -10.482 1.563 163 HB3 SER 20 HB2 SER 20 7.510 -9.766 1.170 164 HG SER 20 HG SER 20 8.177 -9.325 3.323 165 H GLY 21 H GLY 21 8.311 -12.148 3.813 166 HA2 GLY 21 HA2 GLY 21 9.531 -14.380 3.080 167 H ARG 22 H ARG 22 6.940 -14.531 3.474 168 HA ARG 22 HA ARG 22 6.566 -17.152 4.540 169 HB2 ARG 22 HB1 ARG 22 4.560 -17.117 3.026 170 HB3 ARG 22 HB2 ARG 22 4.689 -15.702 4.100 171 HG2 ARG 22 HG1 ARG 22 4.756 -14.280 2.365 172 HG3 ARG 22 HG2 ARG 22 6.012 -15.233 1.539 173 HD2 ARG 22 HD1 ARG 22 4.275 -15.292 0.015 174 HD3 ARG 22 HD2 ARG 22 4.043 -16.812 0.905 175 HE ARG 22 HE ARG 22 2.422 -15.083 2.271 176 HH11 ARG 22 HH12 ARG 22 2.616 -16.495 -0.948 177 HH12 ARG 22 HH11 ARG 22 1.096 -15.837 -1.485 178 HH21 ARG 22 HH22 ARG 22 0.555 -13.942 1.360 179 HH22 ARG 22 HH21 ARG 22 -0.043 -14.426 -0.207 180 H GLU 23 H GLU 23 8.098 -16.029 1.615 181 HA GLU 23 HA GLU 23 8.260 -18.782 0.508 182 HB2 GLU 23 HB1 GLU 23 7.406 -16.216 -0.835 183 HB3 GLU 23 HB2 GLU 23 8.204 -17.494 -1.781 184 HG2 GLU 23 HG1 GLU 23 6.481 -19.051 -1.359 185 HG3 GLU 23 HG2 GLU 23 5.847 -18.114 0.010 186 H GLY 24 H GLY 24 9.835 -15.479 0.647 187 HA2 GLY 24 HA2 GLY 24 11.493 -15.847 1.802 188 H SER 25 H SER 25 11.161 -14.174 -0.699 189 HA SER 25 HA SER 25 13.498 -12.514 -0.346 190 HB2 SER 25 HB1 SER 25 10.917 -11.837 -1.793 191 HB3 SER 25 HB2 SER 25 12.533 -11.137 -2.059 192 HG SER 25 HG SER 25 11.990 -12.738 -3.613 193 H LYS 26 H LYS 26 13.224 -12.113 2.112 194 HA LYS 26 HA LYS 26 10.598 -11.421 2.963 195 HB2 LYS 26 HB1 LYS 26 11.488 -11.635 5.188 196 HB3 LYS 26 HB2 LYS 26 12.033 -12.955 4.126 197 HG2 LYS 26 HG1 LYS 26 14.213 -11.588 3.881 198 HG3 LYS 26 HG2 LYS 26 13.638 -10.683 5.301 199 HD2 LYS 26 HD1 LYS 26 14.101 -13.692 5.152 200 HD3 LYS 26 HD2 LYS 26 15.144 -12.509 5.978 201 HE2 LYS 26 HE1 LYS 26 13.084 -11.925 7.396 202 HE3 LYS 26 HE2 LYS 26 12.345 -13.398 6.731 203 HZ1 LYS 26 HZ1 LYS 26 13.428 -13.811 8.819 204 HZ2 LYS 26 HZ2 LYS 26 14.186 -14.642 7.613 205 HZ3 LYS 26 HZ3 LYS 26 14.872 -13.274 8.230 206 H LEU 27 H LEU 27 12.541 -9.197 1.605 207 HA LEU 27 HA LEU 27 11.288 -6.988 3.152 208 HB2 LEU 27 HB1 LEU 27 14.090 -7.106 1.991 209 HB3 LEU 27 HB2 LEU 27 13.334 -5.650 2.682 210 HG LEU 27 HG LEU 27 13.915 -8.212 4.213 211 HD11 LEU 27 HD11 LEU 27 15.762 -6.895 5.203 212 HD12 LEU 27 HD12 LEU 27 15.951 -7.043 3.440 213 HD13 LEU 27 HD13 LEU 27 15.351 -5.522 4.145 214 HD21 LEU 27 HD21 LEU 27 13.486 -6.852 6.237 215 HD22 LEU 27 HD22 LEU 27 13.060 -5.465 5.212 216 HD23 LEU 27 HD23 LEU 27 12.048 -6.930 5.194 217 H THR 28 H THR 28 11.237 -8.543 0.308 218 HA THR 28 HA THR 28 10.168 -6.229 -1.223 219 HB THR 28 HB THR 28 10.919 -7.543 -3.282 220 HG1 THR 28 HG1 THR 28 12.691 -8.942 -2.868 221 HG21 THR 28 HG21 THR 28 13.253 -6.703 -3.233 222 HG22 THR 28 HG22 THR 28 12.120 -5.500 -2.576 223 HG23 THR 28 HG23 THR 28 13.125 -6.475 -1.476 224 H LEU 29 H LEU 29 8.604 -7.165 -3.004 225 HA LEU 29 HA LEU 29 7.632 -9.860 -2.606 226 HB2 LEU 29 HB1 LEU 29 5.427 -9.515 -1.992 227 HB3 LEU 29 HB2 LEU 29 6.391 -8.522 -0.870 228 HG LEU 29 HG LEU 29 4.769 -7.503 -3.214 229 HD11 LEU 29 HD11 LEU 29 3.266 -6.624 -1.441 230 HD12 LEU 29 HD12 LEU 29 3.421 -8.394 -1.336 231 HD13 LEU 29 HD13 LEU 29 4.312 -7.352 -0.199 232 HD21 LEU 29 HD21 LEU 29 5.108 -5.232 -2.294 233 HD22 LEU 29 HD22 LEU 29 6.177 -5.907 -1.049 234 HD23 LEU 29 HD23 LEU 29 6.647 -5.981 -2.764 235 H SER 30 H SER 30 5.962 -10.497 -4.260 236 HA SER 30 HA SER 30 6.683 -9.333 -6.801 237 HB2 SER 30 HB1 SER 30 5.237 -10.981 -7.805 238 HB3 SER 30 HB2 SER 30 6.182 -11.752 -6.507 239 HG SER 30 HG SER 30 3.960 -12.337 -6.457 240 H ARG 31 H ARG 31 5.356 -8.170 -8.313 241 HA ARG 31 HA ARG 31 3.640 -6.204 -7.338 242 HB2 ARG 31 HB1 ARG 31 3.101 -7.475 -10.002 243 HB3 ARG 31 HB2 ARG 31 2.926 -5.775 -9.508 244 HG2 ARG 31 HG1 ARG 31 5.727 -6.582 -9.479 245 HG3 ARG 31 HG2 ARG 31 4.976 -6.873 -11.067 246 HD2 ARG 31 HD1 ARG 31 4.242 -4.633 -11.259 247 HD3 ARG 31 HD2 ARG 31 4.470 -4.319 -9.527 248 HE ARG 31 HE ARG 31 6.848 -4.770 -11.239 249 HH11 ARG 31 HH12 ARG 31 4.863 -2.457 -9.415 250 HH12 ARG 31 HH11 ARG 31 6.148 -1.292 -9.287 251 HH21 ARG 31 HH22 ARG 31 8.494 -3.178 -10.913 252 HH22 ARG 31 HH21 ARG 31 8.118 -1.685 -10.101 253 H LYS 32 H LYS 32 2.822 -9.489 -8.444 254 HA LYS 32 HA LYS 32 0.004 -9.356 -8.331 255 HB2 LYS 32 HB1 LYS 32 1.785 -11.063 -9.290 256 HB3 LYS 32 HB2 LYS 32 1.535 -11.863 -7.720 257 HG2 LYS 32 HG1 LYS 32 0.160 -12.876 -9.467 258 HG3 LYS 32 HG2 LYS 32 -0.850 -12.117 -8.213 259 HD2 LYS 32 HD1 LYS 32 -1.740 -10.607 -9.661 260 HD3 LYS 32 HD2 LYS 32 -0.199 -10.367 -10.519 261 HE2 LYS 32 HE1 LYS 32 -0.715 -12.850 -11.381 262 HE3 LYS 32 HE2 LYS 32 -2.387 -12.366 -11.025 263 HZ1 LYS 32 HZ1 LYS 32 -1.777 -11.861 -13.281 264 HZ2 LYS 32 HZ2 LYS 32 -2.073 -10.467 -12.451 265 HZ3 LYS 32 HZ3 LYS 32 -0.521 -10.917 -12.782 266 H GLU 33 H GLU 33 2.340 -10.320 -5.730 267 HA GLU 33 HA GLU 33 0.328 -10.807 -3.749 268 HB2 GLU 33 HB1 GLU 33 3.299 -10.296 -3.706 269 HB3 GLU 33 HB2 GLU 33 2.374 -10.364 -2.187 270 HG2 GLU 33 HG1 GLU 33 1.981 -12.599 -4.143 271 HG3 GLU 33 HG2 GLU 33 3.529 -12.534 -3.273 272 H LEU 34 H LEU 34 2.277 -7.789 -4.489 273 HA LEU 34 HA LEU 34 1.243 -6.299 -2.308 274 HB2 LEU 34 HB1 LEU 34 3.185 -5.576 -3.626 275 HB3 LEU 34 HB2 LEU 34 2.133 -5.291 -5.034 276 HG LEU 34 HG LEU 34 0.895 -3.581 -3.761 277 HD11 LEU 34 HD11 LEU 34 1.742 -2.718 -1.600 278 HD12 LEU 34 HD12 LEU 34 1.255 -4.422 -1.475 279 HD13 LEU 34 HD13 LEU 34 2.978 -3.993 -1.586 280 HD21 LEU 34 HD21 LEU 34 2.638 -1.824 -3.699 281 HD22 LEU 34 HD22 LEU 34 3.894 -3.079 -3.729 282 HD23 LEU 34 HD23 LEU 34 2.815 -2.862 -5.128 283 H LYS 35 H LYS 35 -0.028 -6.731 -5.600 284 HA LYS 35 HA LYS 35 -2.285 -5.071 -5.493 285 HB2 LYS 35 HB1 LYS 35 -1.606 -5.839 -7.558 286 HB3 LYS 35 HB2 LYS 35 -1.372 -7.509 -6.983 287 HG2 LYS 35 HG1 LYS 35 -4.151 -6.392 -7.118 288 HG3 LYS 35 HG2 LYS 35 -3.337 -6.889 -8.622 289 HD2 LYS 35 HD1 LYS 35 -3.387 -9.127 -8.067 290 HD3 LYS 35 HD2 LYS 35 -3.219 -8.811 -6.324 291 HE2 LYS 35 HE1 LYS 35 -5.558 -7.975 -6.272 292 HE3 LYS 35 HE2 LYS 35 -5.718 -8.354 -8.001 293 HZ1 LYS 35 HZ1 LYS 35 -6.622 -10.087 -6.624 294 HZ2 LYS 35 HZ2 LYS 35 -5.325 -10.654 -7.467 295 HZ3 LYS 35 HZ3 LYS 35 -5.175 -10.300 -5.863 296 H GLU 36 H GLU 36 -1.789 -8.228 -3.945 297 HA GLU 36 HA GLU 36 -4.602 -8.384 -3.147 298 HB2 GLU 36 HB1 GLU 36 -3.046 -10.326 -3.790 299 HB3 GLU 36 HB2 GLU 36 -2.296 -10.096 -2.192 300 HG2 GLU 36 HG1 GLU 36 -4.007 -11.844 -2.110 301 HG3 GLU 36 HG2 GLU 36 -4.472 -10.452 -1.111 302 H LEU 37 H LEU 37 -1.440 -7.943 -1.482 303 HA LEU 37 HA LEU 37 -2.122 -7.785 1.158 304 HB2 LEU 37 HB1 LEU 37 0.123 -7.797 0.652 305 HB3 LEU 37 HB2 LEU 37 -0.035 -6.515 -0.573 306 HG LEU 37 HG LEU 37 -0.121 -4.824 1.155 307 HD11 LEU 37 HD11 LEU 37 0.421 -5.272 3.531 308 HD12 LEU 37 HD12 LEU 37 -1.111 -6.030 3.057 309 HD13 LEU 37 HD13 LEU 37 0.366 -7.013 3.200 310 HD21 LEU 37 HD21 LEU 37 2.237 -5.040 1.929 311 HD22 LEU 37 HD22 LEU 37 2.196 -6.775 1.541 312 HD23 LEU 37 HD23 LEU 37 2.063 -5.567 0.240 313 H ILE 38 H ILE 38 -2.134 -4.923 -1.058 314 HA ILE 38 HA ILE 38 -2.846 -3.041 0.925 315 HB ILE 38 HB ILE 38 -3.250 -3.020 -2.082 316 HG12 ILE 38 HG13 ILE 38 -1.140 -1.837 -0.229 317 HG13 ILE 38 HG12 ILE 38 -0.933 -3.240 -1.304 318 HG21 ILE 38 HG21 ILE 38 -3.512 -0.566 -1.898 319 HG22 ILE 38 HG22 ILE 38 -4.819 -1.423 -1.047 320 HG23 ILE 38 HG23 ILE 38 -3.481 -0.695 -0.124 321 HD11 ILE 38 HD11 ILE 38 0.127 -1.225 -2.257 322 HD12 ILE 38 HD12 ILE 38 -1.223 -1.785 -3.263 323 HD13 ILE 38 HD13 ILE 38 -1.433 -0.381 -2.190 324 H LYS 39 H LYS 39 -4.997 -5.055 -1.141 325 HA LYS 39 HA LYS 39 -7.404 -3.861 -0.054 326 HB2 LYS 39 HB1 LYS 39 -6.615 -5.929 -2.017 327 HB3 LYS 39 HB2 LYS 39 -8.159 -6.247 -1.190 328 HG2 LYS 39 HG1 LYS 39 -8.649 -5.059 -3.195 329 HG3 LYS 39 HG2 LYS 39 -8.897 -3.944 -1.830 330 HD2 LYS 39 HD1 LYS 39 -6.666 -2.925 -2.324 331 HD3 LYS 39 HD2 LYS 39 -6.547 -3.971 -3.760 332 HE2 LYS 39 HE1 LYS 39 -8.737 -1.916 -3.220 333 HE3 LYS 39 HE2 LYS 39 -7.382 -1.717 -4.354 334 HZ1 LYS 39 HZ1 LYS 39 -9.384 -2.382 -5.469 335 HZ2 LYS 39 HZ2 LYS 39 -8.240 -3.562 -5.605 336 HZ3 LYS 39 HZ3 LYS 39 -9.497 -3.748 -4.553 337 H LYS 40 H LYS 40 -5.239 -6.192 1.302 338 HA LYS 40 HA LYS 40 -7.338 -7.475 2.934 339 HB2 LYS 40 HB1 LYS 40 -4.314 -7.762 3.066 340 HB3 LYS 40 HB2 LYS 40 -5.512 -8.769 3.914 341 HG2 LYS 40 HG1 LYS 40 -4.863 -8.685 0.974 342 HG3 LYS 40 HG2 LYS 40 -4.730 -10.052 2.106 343 HD2 LYS 40 HD1 LYS 40 -6.633 -10.701 1.087 344 HD3 LYS 40 HD2 LYS 40 -7.377 -9.596 2.267 345 HE2 LYS 40 HE1 LYS 40 -7.755 -7.934 0.675 346 HE3 LYS 40 HE2 LYS 40 -6.501 -8.552 -0.421 347 HZ1 LYS 40 HZ1 LYS 40 -8.694 -8.985 -1.249 348 HZ2 LYS 40 HZ2 LYS 40 -7.925 -10.402 -0.908 349 HZ3 LYS 40 HZ3 LYS 40 -9.091 -9.827 0.110 350 H GLU 41 H GLU 41 -4.443 -5.548 3.313 351 HA GLU 41 HA GLU 41 -4.689 -5.112 6.135 352 HB2 GLU 41 HB1 GLU 41 -2.694 -3.768 5.908 353 HB3 GLU 41 HB2 GLU 41 -2.538 -5.302 5.020 354 HG2 GLU 41 HG1 GLU 41 -1.751 -4.020 3.350 355 HG3 GLU 41 HG2 GLU 41 -3.459 -3.623 3.059 356 H LEU 42 H LEU 42 -5.658 -3.170 3.317 357 HA LEU 42 HA LEU 42 -7.160 -1.423 5.214 358 HB2 LEU 42 HB1 LEU 42 -5.448 -0.764 3.039 359 HB3 LEU 42 HB2 LEU 42 -7.111 -0.447 2.491 360 HG LEU 42 HG LEU 42 -5.903 0.625 5.067 361 HD11 LEU 42 HD11 LEU 42 -5.803 2.802 3.883 362 HD12 LEU 42 HD12 LEU 42 -4.793 1.583 3.073 363 HD13 LEU 42 HD13 LEU 42 -6.380 2.016 2.394 364 HD21 LEU 42 HD21 LEU 42 -7.881 2.117 5.086 365 HD22 LEU 42 HD22 LEU 42 -8.485 1.330 3.611 366 HD23 LEU 42 HD23 LEU 42 -8.365 0.405 5.126 367 H CYS 43 H CYS 43 -9.369 -1.671 5.180 368 HA CYS 43 HA CYS 43 -10.594 -3.272 3.028 369 HB2 CYS 43 HB1 CYS 43 -9.504 -4.876 4.559 370 HB3 CYS 43 HB2 CYS 43 -10.493 -4.248 5.900 371 HG CYS 43 HG CYS 43 -11.440 -6.554 5.101 372 H LEU 44 H LEU 44 -11.390 -0.985 2.923 373 HA LEU 44 HA LEU 44 -13.374 -0.015 4.798 374 HB2 LEU 44 HB1 LEU 44 -12.474 0.790 1.998 375 HB3 LEU 44 HB2 LEU 44 -13.648 1.718 2.959 376 HG LEU 44 HG LEU 44 -10.914 1.095 4.037 377 HD11 LEU 44 HD11 LEU 44 -10.029 3.235 3.191 378 HD12 LEU 44 HD12 LEU 44 -10.476 2.138 1.870 379 HD13 LEU 44 HD13 LEU 44 -11.540 3.499 2.297 380 HD21 LEU 44 HD21 LEU 44 -11.263 3.139 5.369 381 HD22 LEU 44 HD22 LEU 44 -12.824 3.393 4.558 382 HD23 LEU 44 HD23 LEU 44 -12.582 1.969 5.598 383 H GLY 45 H GLY 45 -14.064 -2.776 3.104 384 HA2 GLY 45 HA2 GLY 45 -14.579 -3.238 1.410 385 H GLU 46 H GLU 46 -15.193 -1.654 -1.261 386 HA GLU 46 HA GLU 46 -12.845 0.018 -0.808 387 HB2 GLU 46 HB1 GLU 46 -12.034 -0.475 -3.196 388 HB3 GLU 46 HB2 GLU 46 -11.554 -1.528 -1.843 389 HG2 GLU 46 HG1 GLU 46 -13.236 -3.186 -2.531 390 HG3 GLU 46 HG2 GLU 46 -13.724 -2.136 -3.878 391 H MET 47 H MET 47 -12.889 1.873 -1.858 392 HA MET 47 HA MET 47 -15.471 2.685 -3.099 393 HB2 MET 47 HB1 MET 47 -13.781 4.152 -1.034 394 HB3 MET 47 HB2 MET 47 -15.279 4.757 -1.779 395 HG2 MET 47 HG1 MET 47 -16.589 3.050 -0.686 396 HG3 MET 47 HG2 MET 47 -15.131 2.235 -0.095 397 HE1 MET 47 HE1 MET 47 -13.683 4.710 2.491 398 HE2 MET 47 HE2 MET 47 -13.554 3.106 1.725 399 HE3 MET 47 HE3 MET 47 -13.285 4.578 0.760 400 H LYS 48 H LYS 48 -15.192 4.918 -4.169 401 HA LYS 48 HA LYS 48 -14.173 6.600 -5.172 402 HB2 LYS 48 HB1 LYS 48 -13.091 6.266 -2.721 403 HB3 LYS 48 HB2 LYS 48 -11.619 6.282 -3.722 404 HG2 LYS 48 HG1 LYS 48 -13.848 8.325 -3.926 405 HG3 LYS 48 HG2 LYS 48 -12.381 8.547 -2.943 406 HD2 LYS 48 HD1 LYS 48 -12.559 8.252 -5.949 407 HD3 LYS 48 HD2 LYS 48 -12.121 9.712 -5.029 408 HE2 LYS 48 HE1 LYS 48 -10.058 8.596 -4.252 409 HE3 LYS 48 HE2 LYS 48 -10.496 7.145 -5.180 410 HZ1 LYS 48 HZ1 LYS 48 -8.946 8.521 -6.363 411 HZ2 LYS 48 HZ2 LYS 48 -10.382 8.460 -7.170 412 HZ3 LYS 48 HZ3 LYS 48 -9.977 9.808 -6.310 413 H GLU 49 H GLU 49 -14.287 5.785 -7.133 414 HA GLU 49 HA GLU 49 -12.308 4.489 -8.675 415 HB2 GLU 49 HB1 GLU 49 -14.845 5.214 -9.020 416 HB3 GLU 49 HB2 GLU 49 -14.098 6.636 -9.786 417 HG2 GLU 49 HG1 GLU 49 -13.587 3.792 -10.684 418 HG3 GLU 49 HG2 GLU 49 -14.879 4.818 -11.341 419 H SER 50 H SER 50 -10.716 5.333 -10.129 420 HA SER 50 HA SER 50 -10.382 6.765 -11.833 421 HB2 SER 50 HB1 SER 50 -11.946 8.543 -10.321 422 HB3 SER 50 HB2 SER 50 -10.457 9.402 -10.786 423 HG SER 50 HG SER 50 -12.074 9.477 -12.415 424 H SER 51 H SER 51 -8.501 7.081 -12.597 425 HA SER 51 HA SER 51 -6.282 6.948 -12.798 426 HB2 SER 51 HB1 SER 51 -6.322 9.262 -11.822 427 HB3 SER 51 HB2 SER 51 -6.000 8.536 -10.229 428 HG SER 51 HG SER 51 -4.077 9.190 -11.313 429 H ILE 52 H ILE 52 -7.363 6.235 -9.468 430 HA ILE 52 HA ILE 52 -5.101 4.634 -8.775 431 HB ILE 52 HB ILE 52 -6.380 3.920 -6.844 432 HG12 ILE 52 HG13 ILE 52 -8.615 5.208 -6.436 433 HG13 ILE 52 HG12 ILE 52 -8.739 5.183 -8.213 434 HG21 ILE 52 HG21 ILE 52 -6.607 6.173 -5.835 435 HG22 ILE 52 HG22 ILE 52 -5.168 6.067 -6.873 436 HG23 ILE 52 HG23 ILE 52 -6.630 6.893 -7.461 437 HD11 ILE 52 HD11 ILE 52 -9.980 3.287 -7.206 438 HD12 ILE 52 HD12 ILE 52 -8.614 2.718 -8.188 439 HD13 ILE 52 HD13 ILE 52 -8.487 2.740 -6.414 440 H ASP 53 H ASP 53 -7.913 3.910 -10.672 441 HA ASP 53 HA ASP 53 -7.808 1.077 -10.586 442 HB2 ASP 53 HB1 ASP 53 -9.641 2.356 -11.638 443 HB3 ASP 53 HB2 ASP 53 -8.522 2.934 -12.894 444 H ASP 54 H ASP 54 -5.857 3.455 -12.518 445 HA ASP 54 HA ASP 54 -4.476 1.244 -13.809 446 HB2 ASP 54 HB1 ASP 54 -4.862 3.480 -14.947 447 HB3 ASP 54 HB2 ASP 54 -3.558 4.119 -13.921 448 H LEU 55 H LEU 55 -3.805 3.308 -10.938 449 HA LEU 55 HA LEU 55 -1.206 2.351 -10.373 450 HB2 LEU 55 HB1 LEU 55 -3.627 3.025 -8.737 451 HB3 LEU 55 HB2 LEU 55 -2.269 2.185 -7.947 452 HG LEU 55 HG LEU 55 -2.450 4.660 -7.672 453 HD11 LEU 55 HD11 LEU 55 0.002 4.960 -7.715 454 HD12 LEU 55 HD12 LEU 55 -0.459 3.362 -7.091 455 HD13 LEU 55 HD13 LEU 55 0.149 3.528 -8.755 456 HD21 LEU 55 HD21 LEU 55 -1.452 6.138 -9.368 457 HD22 LEU 55 HD22 LEU 55 -1.347 4.765 -10.485 458 HD23 LEU 55 HD23 LEU 55 -2.937 5.362 -9.950 459 H MET 56 H MET 56 -4.337 0.926 -9.389 460 HA MET 56 HA MET 56 -3.522 -1.596 -8.563 461 HB2 MET 56 HB1 MET 56 -6.054 -0.485 -9.727 462 HB3 MET 56 HB2 MET 56 -5.916 -2.242 -9.476 463 HG2 MET 56 HG1 MET 56 -5.115 -0.462 -7.220 464 HG3 MET 56 HG2 MET 56 -6.843 -0.554 -7.603 465 HE1 MET 56 HE1 MET 56 -4.227 -4.064 -5.962 466 HE2 MET 56 HE2 MET 56 -3.868 -3.297 -7.522 467 HE3 MET 56 HE3 MET 56 -3.734 -2.359 -6.014 468 H LYS 57 H LYS 57 -4.480 -0.761 -11.975 469 HA LYS 57 HA LYS 57 -3.901 -3.325 -13.032 470 HB2 LYS 57 HB1 LYS 57 -3.754 -0.621 -14.389 471 HB3 LYS 57 HB2 LYS 57 -3.610 -2.182 -15.230 472 HG2 LYS 57 HG1 LYS 57 -5.996 -0.706 -14.330 473 HG3 LYS 57 HG2 LYS 57 -5.769 -1.817 -15.702 474 HD2 LYS 57 HD1 LYS 57 -5.736 -3.687 -13.926 475 HD3 LYS 57 HD2 LYS 57 -6.414 -2.466 -12.823 476 HE2 LYS 57 HE1 LYS 57 -7.647 -3.308 -15.477 477 HE3 LYS 57 HE2 LYS 57 -8.157 -3.897 -13.880 478 HZ1 LYS 57 HZ1 LYS 57 -9.544 -2.122 -14.659 479 HZ2 LYS 57 HZ2 LYS 57 -8.727 -1.652 -13.305 480 HZ3 LYS 57 HZ3 LYS 57 -8.252 -1.107 -14.788 481 H SER 58 H SER 58 -1.772 -0.535 -12.459 482 HA SER 58 HA SER 58 0.402 -1.420 -14.027 483 HB2 SER 58 HB1 SER 58 0.227 0.586 -11.786 484 HB3 SER 58 HB2 SER 58 1.754 0.225 -12.625 485 HG SER 58 HG SER 58 0.575 1.933 -13.621 486 H LEU 59 H LEU 59 -0.493 -2.497 -10.796 487 HA LEU 59 HA LEU 59 2.070 -3.742 -10.312 488 HB2 LEU 59 HB1 LEU 59 -0.712 -4.368 -9.273 489 HB3 LEU 59 HB2 LEU 59 0.798 -5.082 -8.656 490 HG LEU 59 HG LEU 59 0.057 -2.131 -8.606 491 HD11 LEU 59 HD11 LEU 59 -0.089 -2.448 -6.154 492 HD12 LEU 59 HD12 LEU 59 -1.237 -3.502 -7.010 493 HD13 LEU 59 HD13 LEU 59 0.277 -4.177 -6.359 494 HD21 LEU 59 HD21 LEU 59 2.076 -1.812 -7.206 495 HD22 LEU 59 HD22 LEU 59 2.486 -3.529 -7.417 496 HD23 LEU 59 HD23 LEU 59 2.497 -2.432 -8.818 497 H ASP 60 H ASP 60 -1.034 -5.004 -11.584 498 HA ASP 60 HA ASP 60 -0.055 -7.539 -12.394 499 HB2 ASP 60 HB1 ASP 60 -2.497 -6.186 -12.179 500 HB3 ASP 60 HB2 ASP 60 -2.348 -6.543 -13.915 501 H LYS 61 H LYS 61 0.066 -4.442 -14.040 502 HA LYS 61 HA LYS 61 0.536 -5.185 -16.713 503 HB2 LYS 61 HB1 LYS 61 -0.001 -2.960 -15.557 504 HB3 LYS 61 HB2 LYS 61 1.754 -2.825 -15.290 505 HG2 LYS 61 HG1 LYS 61 2.147 -2.190 -17.411 506 HG3 LYS 61 HG2 LYS 61 1.021 -3.393 -18.085 507 HD2 LYS 61 HD1 LYS 61 0.418 -0.934 -18.484 508 HD3 LYS 61 HD2 LYS 61 -0.863 -1.951 -17.786 509 HE2 LYS 61 HE1 LYS 61 -0.538 -1.043 -15.612 510 HE3 LYS 61 HE2 LYS 61 0.997 -0.279 -16.080 511 HZ1 LYS 61 HZ1 LYS 61 -0.766 1.325 -15.866 512 HZ2 LYS 61 HZ2 LYS 61 -0.249 1.249 -17.426 513 HZ3 LYS 61 HZ3 LYS 61 -1.672 0.540 -16.992 514 H ASN 62 H ASN 62 2.701 -5.510 -13.973 515 HA ASN 62 HA ASN 62 4.644 -6.779 -15.856 516 HB2 ASN 62 HB1 ASN 62 5.175 -5.700 -13.066 517 HB3 ASN 62 HB2 ASN 62 6.364 -6.457 -14.148 518 HD21 ASN 62 HD21 ASN 62 5.133 -4.806 -16.484 519 HD22 ASN 62 HD22 ASN 62 5.861 -3.221 -16.255 520 H SER 63 H SER 63 3.038 -6.957 -12.697 521 HA SER 63 HA SER 63 2.070 -8.578 -11.533 522 HB2 SER 63 HB1 SER 63 1.340 -9.440 -13.746 523 HB3 SER 63 HB2 SER 63 2.779 -10.488 -13.776 524 HG SER 63 HG SER 63 0.917 -11.557 -12.965 525 H ASP 64 H ASP 64 5.084 -10.074 -12.960 526 HA ASP 64 HA ASP 64 4.996 -11.801 -10.525 527 HB2 ASP 64 HB1 ASP 64 5.824 -12.517 -13.357 528 HB3 ASP 64 HB2 ASP 64 5.747 -13.620 -11.965 529 H GLN 65 H GLN 65 6.245 -9.403 -10.427 530 HA GLN 65 HA GLN 65 9.167 -9.945 -10.689 531 HB2 GLN 65 HB1 GLN 65 7.506 -7.522 -11.491 532 HB3 GLN 65 HB2 GLN 65 9.283 -7.530 -11.408 533 HG2 GLN 65 HG1 GLN 65 7.627 -9.324 -13.225 534 HG3 GLN 65 HG2 GLN 65 8.384 -7.797 -13.726 535 HE21 GLN 65 HE12 GLN 65 9.092 -11.182 -12.700 536 HE22 GLN 65 HE22 GLN 65 10.742 -11.170 -13.274 537 H GLU 66 H GLU 66 10.445 -8.746 -9.103 538 HA GLU 66 HA GLU 66 8.816 -8.292 -6.737 539 HB2 GLU 66 HB1 GLU 66 11.808 -8.439 -7.076 540 HB3 GLU 66 HB2 GLU 66 11.022 -7.994 -5.543 541 HG2 GLU 66 HG1 GLU 66 9.713 -10.173 -5.728 542 HG3 GLU 66 HG2 GLU 66 10.800 -10.612 -7.064 543 H ILE 67 H ILE 67 8.639 -6.602 -5.519 544 HA ILE 67 HA ILE 67 9.893 -4.018 -6.206 545 HB ILE 67 HB ILE 67 7.616 -3.186 -5.017 546 HG12 ILE 67 HG13 ILE 67 6.697 -5.542 -6.682 547 HG13 ILE 67 HG12 ILE 67 6.479 -5.321 -4.928 548 HG21 ILE 67 HG21 ILE 67 6.969 -2.470 -7.274 549 HG22 ILE 67 HG22 ILE 67 8.726 -2.331 -7.018 550 HG23 ILE 67 HG23 ILE 67 8.071 -3.683 -7.973 551 HD11 ILE 67 HD11 ILE 67 4.404 -4.778 -6.161 552 HD12 ILE 67 HD12 ILE 67 5.068 -3.342 -5.353 553 HD13 ILE 67 HD13 ILE 67 5.288 -3.561 -7.106 554 H ASP 68 H ASP 68 10.037 -2.568 -4.432 555 HA ASP 68 HA ASP 68 10.649 -3.949 -1.900 556 HB2 ASP 68 HB1 ASP 68 12.365 -2.405 -1.644 557 HB3 ASP 68 HB2 ASP 68 12.310 -2.612 -3.408 558 H PHE 69 H PHE 69 10.712 -2.270 -0.021 559 HA PHE 69 HA PHE 69 8.140 -1.615 0.856 560 HB2 PHE 69 HB1 PHE 69 10.372 -1.933 2.084 561 HB3 PHE 69 HB2 PHE 69 10.701 -0.237 1.691 562 HD1 PHE 69 HD1 PHE 69 7.202 -0.571 2.478 563 HD2 PHE 69 HD2 PHE 69 11.127 -0.414 4.244 564 HE1 PHE 69 HE1 PHE 69 6.205 0.161 4.629 565 HE2 PHE 69 HE2 PHE 69 10.122 0.291 6.400 566 HZ PHE 69 HZ PHE 69 7.665 0.602 6.592 567 H LYS 70 H LYS 70 10.163 0.277 -1.351 568 HA LYS 70 HA LYS 70 8.953 2.832 -0.654 569 HB2 LYS 70 HB1 LYS 70 11.359 2.205 -1.465 570 HB3 LYS 70 HB2 LYS 70 10.629 2.324 -3.083 571 HG2 LYS 70 HG1 LYS 70 10.079 4.628 -2.766 572 HG3 LYS 70 HG2 LYS 70 10.449 4.547 -1.026 573 HD2 LYS 70 HD1 LYS 70 12.849 3.844 -1.773 574 HD3 LYS 70 HD2 LYS 70 12.379 4.455 -3.377 575 HE2 LYS 70 HE1 LYS 70 11.802 6.633 -2.409 576 HE3 LYS 70 HE2 LYS 70 12.173 6.031 -0.779 577 HZ1 LYS 70 HZ1 LYS 70 13.968 7.331 -1.676 578 HZ2 LYS 70 HZ2 LYS 70 14.449 5.770 -1.463 579 HZ3 LYS 70 HZ3 LYS 70 14.104 6.328 -2.977 580 H GLU 71 H GLU 71 8.914 0.797 -3.677 581 HA GLU 71 HA GLU 71 6.814 2.153 -4.975 582 HB2 GLU 71 HB1 GLU 71 7.639 -0.763 -4.951 583 HB3 GLU 71 HB2 GLU 71 6.316 -0.154 -5.976 584 HG2 GLU 71 HG1 GLU 71 8.669 1.518 -6.288 585 HG3 GLU 71 HG2 GLU 71 9.090 -0.187 -6.565 586 H TYR 72 H TYR 72 6.714 -0.211 -2.322 587 HA TYR 72 HA TYR 72 3.859 -0.584 -2.285 588 HB2 TYR 72 HB1 TYR 72 5.206 -2.242 -1.365 589 HB3 TYR 72 HB2 TYR 72 6.178 -1.082 -0.443 590 HD1 TYR 72 HD2 TYR 72 2.420 -1.144 -0.226 591 HD2 TYR 72 HD1 TYR 72 6.179 -2.283 1.539 592 HE1 TYR 72 HE2 TYR 72 1.229 -1.948 1.806 593 HE2 TYR 72 HE1 TYR 72 5.016 -2.873 3.647 594 HH TYR 72 HH TYR 72 1.451 -2.868 3.911 595 H SER 73 H SER 73 5.984 1.493 -0.247 596 HA SER 73 HA SER 73 3.852 2.657 1.250 597 HB2 SER 73 HB1 SER 73 5.654 4.343 1.882 598 HB3 SER 73 HB2 SER 73 6.025 2.634 2.218 599 HG SER 73 HG SER 73 7.743 3.728 1.174 600 H VAL 74 H VAL 74 5.529 3.846 -1.768 601 HA VAL 74 HA VAL 74 3.972 6.239 -1.811 602 HB VAL 74 HB VAL 74 4.466 6.526 -4.122 603 HG11 VAL 74 HG11 VAL 74 6.915 6.681 -3.978 604 HG12 VAL 74 HG12 VAL 74 6.126 7.176 -2.466 605 HG13 VAL 74 HG13 VAL 74 6.896 5.576 -2.588 606 HG21 VAL 74 HG21 VAL 74 5.824 4.997 -5.478 607 HG22 VAL 74 HG22 VAL 74 5.768 3.803 -4.166 608 HG23 VAL 74 HG23 VAL 74 4.273 4.278 -5.006 609 H PHE 75 H PHE 75 3.154 2.900 -2.896 610 HA PHE 75 HA PHE 75 0.830 3.737 -4.365 611 HB2 PHE 75 HB1 PHE 75 2.071 1.480 -4.375 612 HB3 PHE 75 HB2 PHE 75 1.127 1.100 -2.925 613 HD1 PHE 75 HD1 PHE 75 -1.572 1.612 -3.278 614 HD2 PHE 75 HD2 PHE 75 1.279 0.769 -6.389 615 HE1 PHE 75 HE1 PHE 75 -3.391 0.671 -4.688 616 HE2 PHE 75 HE2 PHE 75 -0.541 -0.124 -7.808 617 HZ PHE 75 HZ PHE 75 -2.875 -0.189 -6.964 618 H LEU 76 H LEU 76 1.181 2.544 -0.945 619 HA LEU 76 HA LEU 76 -1.470 2.977 -0.107 620 HB2 LEU 76 HB1 LEU 76 1.156 3.259 1.391 621 HB3 LEU 76 HB2 LEU 76 -0.445 3.286 2.169 622 HG LEU 76 HG LEU 76 0.766 0.942 0.657 623 HD11 LEU 76 HD11 LEU 76 0.918 -0.063 2.919 624 HD12 LEU 76 HD12 LEU 76 1.859 1.445 2.823 625 HD13 LEU 76 HD13 LEU 76 0.272 1.437 3.630 626 HD21 LEU 76 HD21 LEU 76 -1.161 -0.346 1.520 627 HD22 LEU 76 HD22 LEU 76 -1.835 1.138 2.230 628 HD23 LEU 76 HD23 LEU 76 -1.694 0.980 0.462 629 H THR 77 H THR 77 1.316 5.236 -0.057 630 HA THR 77 HA THR 77 0.038 7.469 1.096 631 HB THR 77 HB THR 77 2.374 7.266 -0.830 632 HG1 THR 77 HG1 THR 77 3.486 7.488 1.165 633 HG21 THR 77 HG21 THR 77 3.035 9.494 0.006 634 HG22 THR 77 HG22 THR 77 1.469 9.561 -0.835 635 HG23 THR 77 HG23 THR 77 1.526 9.584 0.944 636 H MET 78 H MET 78 0.678 6.859 -2.382 637 HA MET 78 HA MET 78 -0.750 8.945 -3.541 638 HB2 MET 78 HB1 MET 78 0.770 7.300 -4.648 639 HB3 MET 78 HB2 MET 78 -0.504 6.066 -4.497 640 HG2 MET 78 HG1 MET 78 -1.017 6.678 -6.596 641 HG3 MET 78 HG2 MET 78 -1.865 8.016 -5.802 642 HE1 MET 78 HE1 MET 78 2.116 8.145 -8.113 643 HE2 MET 78 HE2 MET 78 1.884 7.087 -6.699 644 HE3 MET 78 HE3 MET 78 0.889 6.855 -8.158 645 H LEU 79 H LEU 79 -2.013 5.742 -2.457 646 HA LEU 79 HA LEU 79 -4.621 6.180 -3.595 647 HB2 LEU 79 HB1 LEU 79 -3.645 3.964 -3.312 648 HB3 LEU 79 HB2 LEU 79 -3.625 4.181 -1.544 649 HG LEU 79 HG LEU 79 -6.051 4.187 -1.472 650 HD11 LEU 79 HD11 LEU 79 -7.439 3.746 -3.479 651 HD12 LEU 79 HD12 LEU 79 -6.541 5.273 -3.636 652 HD13 LEU 79 HD13 LEU 79 -5.984 3.819 -4.498 653 HD21 LEU 79 HD21 LEU 79 -6.438 1.843 -2.176 654 HD22 LEU 79 HD22 LEU 79 -4.961 1.898 -3.168 655 HD23 LEU 79 HD23 LEU 79 -4.850 2.027 -1.396 656 H CYS 80 H CYS 80 -3.301 6.562 -0.262 657 HA CYS 80 HA CYS 80 -5.726 7.465 0.937 658 HB2 CYS 80 HB1 CYS 80 -3.182 6.864 1.729 659 HB3 CYS 80 HB2 CYS 80 -3.131 8.643 1.797 660 HG CYS 80 HG CYS 80 -3.616 7.674 4.184 661 H MET 81 H MET 81 -3.077 9.292 -0.696 662 HA MET 81 HA MET 81 -4.236 11.869 -0.447 663 HB2 MET 81 HB1 MET 81 -2.184 10.698 -2.350 664 HB3 MET 81 HB2 MET 81 -2.589 12.429 -2.283 665 HG2 MET 81 HG1 MET 81 -1.970 12.506 0.091 666 HG3 MET 81 HG2 MET 81 -1.636 10.766 0.082 667 HE1 MET 81 HE1 MET 81 0.920 14.213 -1.379 668 HE2 MET 81 HE2 MET 81 -0.783 14.035 -1.878 669 HE3 MET 81 HE3 MET 81 -0.375 14.217 -0.155 670 H ALA 82 H ALA 82 -5.117 9.253 -2.554 671 HA ALA 82 HA ALA 82 -6.331 10.837 -4.606 672 HB1 ALA 82 HB1 ALA 82 -7.284 8.690 -5.353 673 HB2 ALA 82 HB2 ALA 82 -5.551 8.546 -4.985 674 HB3 ALA 82 HB3 ALA 82 -6.760 7.931 -3.832 675 H TYR 83 H TYR 83 -7.365 10.393 -1.379 676 HA TYR 83 HA TYR 83 -9.932 11.576 -2.009 677 HB2 TYR 83 HB1 TYR 83 -11.262 9.830 -0.824 678 HB3 TYR 83 HB2 TYR 83 -10.588 9.354 -2.392 679 HD1 TYR 83 HD2 TYR 83 -9.974 9.023 1.311 680 HD2 TYR 83 HD1 TYR 83 -9.496 7.326 -2.615 681 HE1 TYR 83 HE2 TYR 83 -8.870 7.038 2.311 682 HE2 TYR 83 HE1 TYR 83 -8.517 5.276 -1.616 683 HH TYR 83 HH TYR 83 -7.942 4.980 1.924 684 H ASN 84 H ASN 84 -7.403 11.308 0.214 685 HA ASN 84 HA ASN 84 -8.645 11.790 2.698 686 HB2 ASN 84 HB1 ASN 84 -6.028 12.702 1.459 687 HB3 ASN 84 HB2 ASN 84 -6.465 13.094 3.136 688 HD21 ASN 84 HD21 ASN 84 -4.132 11.795 2.642 689 HD22 ASN 84 HD22 ASN 84 -4.242 10.137 3.202 690 H ASP 85 H ASP 85 -9.539 13.534 3.669 691 HA ASP 85 HA ASP 85 -9.363 16.253 2.572 692 HB2 ASP 85 HB1 ASP 85 -10.819 16.786 4.502 693 HB3 ASP 85 HB2 ASP 85 -11.466 15.429 3.555 694 H PHE 86 H PHE 86 -7.328 14.320 4.508 695 HA PHE 86 HA PHE 86 -6.969 15.953 6.815 696 HB2 PHE 86 HB1 PHE 86 -5.116 13.786 5.799 697 HB3 PHE 86 HB2 PHE 86 -5.364 14.310 7.473 698 HD1 PHE 86 HD1 PHE 86 -8.176 14.241 7.977 699 HD2 PHE 86 HD2 PHE 86 -5.854 11.633 5.460 700 HE1 PHE 86 HE1 PHE 86 -9.889 12.461 8.230 701 HE2 PHE 86 HE2 PHE 86 -7.557 9.845 5.733 702 HZ PHE 86 HZ PHE 86 -9.582 10.264 7.115 703 H PHE 87 H PHE 87 -5.993 16.918 3.932 704 HA PHE 87 HA PHE 87 -4.040 18.767 4.990 705 HB2 PHE 87 HB1 PHE 87 -2.239 18.274 3.502 706 HB3 PHE 87 HB2 PHE 87 -2.635 16.834 4.453 707 HD1 PHE 87 HD2 PHE 87 -4.048 14.987 3.302 708 HD2 PHE 87 HD1 PHE 87 -2.011 18.123 1.170 709 HE1 PHE 87 HE2 PHE 87 -4.129 13.635 1.222 710 HE2 PHE 87 HE1 PHE 87 -2.117 16.779 -0.914 711 HZ PHE 87 HZ PHE 87 -3.211 14.545 -0.899 712 H LEU 88 H LEU 88 -6.729 18.983 4.037 713 HA LEU 88 HA LEU 88 -6.945 19.636 1.300 714 HB2 LEU 88 HB1 LEU 88 -9.161 20.298 1.779 715 HB3 LEU 88 HB2 LEU 88 -8.757 18.868 2.760 716 HG LEU 88 HG LEU 88 -10.089 20.088 4.136 717 HD11 LEU 88 HD11 LEU 88 -8.821 21.101 6.006 718 HD12 LEU 88 HD12 LEU 88 -8.071 19.603 5.431 719 HD13 LEU 88 HD13 LEU 88 -7.387 21.180 4.969 720 HD21 LEU 88 HD21 LEU 88 -10.048 22.537 4.486 721 HD22 LEU 88 HD22 LEU 88 -8.674 22.660 3.370 722 HD23 LEU 88 HD23 LEU 88 -10.261 22.118 2.775 723 H GLU 89 H GLU 89 -7.719 21.606 0.327 724 HA GLU 89 HA GLU 89 -5.895 23.811 0.808 725 HB2 GLU 89 HB1 GLU 89 -6.555 22.950 -1.432 726 HB3 GLU 89 HB2 GLU 89 -8.202 23.559 -1.147 727 HG2 GLU 89 HG1 GLU 89 -7.408 25.849 -1.080 728 HG3 GLU 89 HG2 GLU 89 -5.717 25.313 -1.155 729 H ASP 90 H ASP 90 -9.438 23.836 0.516 730 HA ASP 90 HA ASP 90 -10.118 24.480 3.112 731 HB2 ASP 90 HB1 ASP 90 -9.205 26.826 2.237 732 HB3 ASP 90 HB2 ASP 90 -10.877 26.940 1.643 733 H ASN 91 H ASN 91 -12.732 25.646 2.652 734 HA ASN 91 HA ASN 91 -13.906 23.829 0.651 735 HB2 ASN 91 HB1 ASN 91 -13.443 22.768 3.061 736 HB3 ASN 91 HB2 ASN 91 -15.012 23.525 3.408 737 HD21 ASN 91 HD21 ASN 91 -16.600 23.124 1.313 738 HD22 ASN 91 HD22 ASN 91 -16.718 21.426 0.875 739 H LYS 92 H LYS 92 -13.791 26.735 1.316 740 HA LYS 92 HA LYS 92 -16.059 27.893 0.389 741 HB2 LYS 92 HB1 LYS 92 -17.064 28.891 2.501 742 HB3 LYS 92 HB2 LYS 92 -17.537 27.247 2.007 743 HG2 LYS 92 HG1 LYS 92 -17.210 27.832 4.501 744 HG3 LYS 92 HG2 LYS 92 -16.647 26.274 3.854 745 HD2 LYS 92 HD1 LYS 92 -15.098 27.139 5.478 746 HD3 LYS 92 HD2 LYS 92 -14.354 27.088 3.862 747 HE2 LYS 92 HE1 LYS 92 -15.372 29.682 4.066 748 HE3 LYS 92 HE2 LYS 92 -14.719 29.337 5.682 749 HZ1 LYS 92 HZ1 LYS 92 -13.055 30.247 4.226 750 HZ2 LYS 92 HZ2 LYS 92 -12.658 28.701 4.642 751 HZ3 LYS 92 HZ3 LYS 92 -13.265 29.021 3.142 752 HA MET 1 HA MET 1 -11.221 -2.640 7.587 753 HB2 MET 1 HB1 MET 1 -10.684 -0.327 7.783 754 HB3 MET 1 HB2 MET 1 -12.005 -0.617 6.625 755 HG2 MET 1 HG1 MET 1 -12.317 0.479 9.426 756 HG3 MET 1 HG2 MET 1 -12.304 1.437 7.935 757 HE1 MET 1 HE1 MET 1 -15.941 0.824 9.938 758 HE2 MET 1 HE2 MET 1 -14.394 0.265 10.618 759 HE3 MET 1 HE3 MET 1 -14.530 1.911 9.955 760 H GLU 2 H GLU 2 -10.582 -0.478 9.929 761 HA GLU 2 HA GLU 2 -9.927 -0.599 12.075 762 HB2 GLU 2 HB1 GLU 2 -11.717 -2.987 12.545 763 HB3 GLU 2 HB2 GLU 2 -10.999 -1.906 13.762 764 HG2 GLU 2 HG1 GLU 2 -13.042 -1.169 11.629 765 HG3 GLU 2 HG2 GLU 2 -13.304 -1.229 13.386 766 H THR 3 H THR 3 -8.689 -1.896 9.919 767 HA THR 3 HA THR 3 -7.090 -4.066 11.073 768 HB THR 3 HB THR 3 -5.809 -3.677 8.861 769 HG1 THR 3 HG1 THR 3 -7.133 -2.617 7.309 770 HG21 THR 3 HG21 THR 3 -7.529 -4.909 7.559 771 HG22 THR 3 HG22 THR 3 -7.399 -5.551 9.211 772 HG23 THR 3 HG23 THR 3 -8.751 -4.479 8.776 773 HA PRO 4 HA PRO 4 -4.340 -1.385 13.030 774 HB2 PRO 4 HB1 PRO 4 -1.934 -2.704 13.097 775 HB3 PRO 4 HB2 PRO 4 -3.385 -3.238 14.007 776 HG2 PRO 4 HG1 PRO 4 -2.435 -4.227 11.307 777 HG3 PRO 4 HG2 PRO 4 -2.896 -5.214 12.733 778 HD2 PRO 4 HD1 PRO 4 -4.662 -4.726 10.718 779 HD3 PRO 4 HD2 PRO 4 -5.206 -4.700 12.423 780 H LEU 5 H LEU 5 -3.251 -2.423 9.787 781 HA LEU 5 HA LEU 5 -1.258 -0.338 9.564 782 HB2 LEU 5 HB1 LEU 5 -1.540 -2.692 8.371 783 HB3 LEU 5 HB2 LEU 5 -2.386 -1.699 7.160 784 HG LEU 5 HG LEU 5 0.376 -1.019 8.193 785 HD11 LEU 5 HD11 LEU 5 1.305 -2.169 6.226 786 HD12 LEU 5 HD12 LEU 5 0.420 -3.292 7.284 787 HD13 LEU 5 HD13 LEU 5 -0.328 -2.714 5.775 788 HD21 LEU 5 HD21 LEU 5 0.626 0.263 6.111 789 HD22 LEU 5 HD22 LEU 5 -1.021 -0.200 5.634 790 HD23 LEU 5 HD23 LEU 5 -0.762 0.822 7.069 791 H GLU 6 H GLU 6 -4.683 -0.618 8.339 792 HA GLU 6 HA GLU 6 -4.962 2.003 7.410 793 HB2 GLU 6 HB1 GLU 6 -6.770 0.408 7.366 794 HB3 GLU 6 HB2 GLU 6 -6.793 0.312 9.144 795 HG2 GLU 6 HG1 GLU 6 -7.440 2.737 9.199 796 HG3 GLU 6 HG2 GLU 6 -7.569 2.695 7.427 797 H LYS 7 H LYS 7 -4.539 0.948 10.868 798 HA LYS 7 HA LYS 7 -5.075 3.695 11.716 799 HB2 LYS 7 HB1 LYS 7 -4.063 1.458 13.452 800 HB3 LYS 7 HB2 LYS 7 -4.808 2.992 13.961 801 HG2 LYS 7 HG1 LYS 7 -6.056 0.472 12.988 802 HG3 LYS 7 HG2 LYS 7 -6.543 1.569 14.303 803 HD2 LYS 7 HD1 LYS 7 -7.156 3.203 12.337 804 HD3 LYS 7 HD2 LYS 7 -7.172 1.715 11.361 805 HE2 LYS 7 HE1 LYS 7 -8.713 0.706 13.085 806 HE3 LYS 7 HE2 LYS 7 -8.805 2.306 13.853 807 HZ1 LYS 7 HZ1 LYS 7 -10.633 1.929 12.357 808 HZ2 LYS 7 HZ2 LYS 7 -9.693 3.165 11.804 809 HZ3 LYS 7 HZ3 LYS 7 -9.606 1.681 11.092 810 H ALA 8 H ALA 8 -2.206 1.882 10.839 811 HA ALA 8 HA ALA 8 -0.293 3.812 11.728 812 HB1 ALA 8 HB1 ALA 8 1.152 2.788 10.011 813 HB2 ALA 8 HB2 ALA 8 0.312 1.550 10.975 814 HB3 ALA 8 HB3 ALA 8 -0.253 1.934 9.331 815 H LEU 9 H LEU 9 -2.163 3.546 8.617 816 HA LEU 9 HA LEU 9 -1.144 5.881 7.430 817 HB2 LEU 9 HB1 LEU 9 -3.545 4.184 7.067 818 HB3 LEU 9 HB2 LEU 9 -3.628 5.830 6.398 819 HG LEU 9 HG LEU 9 -2.946 4.187 4.731 820 HD11 LEU 9 HD11 LEU 9 -0.939 5.330 3.841 821 HD12 LEU 9 HD12 LEU 9 -2.120 6.488 4.485 822 HD13 LEU 9 HD13 LEU 9 -0.670 6.077 5.430 823 HD21 LEU 9 HD21 LEU 9 -0.756 3.051 4.820 824 HD22 LEU 9 HD22 LEU 9 -0.480 3.724 6.440 825 HD23 LEU 9 HD23 LEU 9 -1.802 2.563 6.168 826 H THR 10 H THR 10 -4.097 5.628 9.620 827 HA THR 10 HA THR 10 -4.440 8.439 9.584 828 HB THR 10 HB THR 10 -6.128 6.865 10.532 829 HG1 THR 10 HG1 THR 10 -6.770 8.634 11.876 830 HG21 THR 10 HG21 THR 10 -6.241 6.652 12.992 831 HG22 THR 10 HG22 THR 10 -4.875 5.742 12.322 832 HG23 THR 10 HG23 THR 10 -4.600 7.312 13.112 833 H THR 11 H THR 11 -2.347 6.478 11.758 834 HA THR 11 HA THR 11 -1.561 8.499 13.531 835 HB THR 11 HB THR 11 -0.001 6.136 12.451 836 HG1 THR 11 HG1 THR 11 -0.686 5.334 14.502 837 HG21 THR 11 HG21 THR 11 1.431 6.290 14.477 838 HG22 THR 11 HG22 THR 11 1.619 7.723 13.448 839 HG23 THR 11 HG23 THR 11 0.624 7.807 14.919 840 H MET 12 H MET 12 -0.233 7.767 10.298 841 HA MET 12 HA MET 12 1.789 9.784 10.325 842 HB2 MET 12 HB1 MET 12 0.392 8.368 8.033 843 HB3 MET 12 HB2 MET 12 1.818 9.419 7.858 844 HG2 MET 12 HG1 MET 12 3.176 7.921 9.168 845 HG3 MET 12 HG2 MET 12 1.766 6.955 9.633 846 HE1 MET 12 HE1 MET 12 4.597 5.959 6.363 847 HE2 MET 12 HE2 MET 12 4.563 7.604 7.032 848 HE3 MET 12 HE3 MET 12 4.752 6.204 8.116 849 H VAL 13 H VAL 13 -1.546 9.884 8.764 850 HA VAL 13 HA VAL 13 -1.075 12.605 7.951 851 HB VAL 13 HB VAL 13 -3.442 12.754 7.351 852 HG11 VAL 13 HG11 VAL 13 -3.423 11.009 5.591 853 HG12 VAL 13 HG12 VAL 13 -1.829 11.776 5.764 854 HG13 VAL 13 HG13 VAL 13 -2.121 10.160 6.454 855 HG21 VAL 13 HG21 VAL 13 -4.932 10.797 7.564 856 HG22 VAL 13 HG22 VAL 13 -3.669 9.939 8.474 857 HG23 VAL 13 HG23 VAL 13 -4.421 11.403 9.154 858 H THR 14 H THR 14 -2.547 11.217 10.866 859 HA THR 14 HA THR 14 -3.530 13.622 12.045 860 HB THR 14 HB THR 14 -2.447 11.078 13.311 861 HG1 THR 14 HG1 THR 14 -4.698 10.575 13.398 862 HG21 THR 14 HG21 THR 14 -3.884 11.614 15.267 863 HG22 THR 14 HG22 THR 14 -2.657 12.869 15.008 864 HG23 THR 14 HG23 THR 14 -4.339 13.147 14.498 865 H THR 15 H THR 15 -0.253 12.554 11.450 866 HA THR 15 HA THR 15 0.773 14.349 13.572 867 HB THR 15 HB THR 15 2.118 11.998 12.218 868 HG1 THR 15 HG1 THR 15 1.809 11.215 14.374 869 HG21 THR 15 HG21 THR 15 3.871 12.283 13.956 870 HG22 THR 15 HG22 THR 15 3.794 13.705 12.892 871 HG23 THR 15 HG23 THR 15 3.068 13.766 14.517 872 H PHE 16 H PHE 16 1.245 13.680 10.025 873 HA PHE 16 HA PHE 16 3.082 15.840 9.693 874 HB2 PHE 16 HB1 PHE 16 2.999 14.172 8.080 875 HB3 PHE 16 HB2 PHE 16 1.237 14.273 7.922 876 HD1 PHE 16 HD1 PHE 16 0.241 16.370 6.793 877 HD2 PHE 16 HD2 PHE 16 4.399 15.267 6.552 878 HE1 PHE 16 HE1 PHE 16 0.494 17.762 4.751 879 HE2 PHE 16 HE2 PHE 16 4.639 16.631 4.494 880 HZ PHE 16 HZ PHE 16 2.701 17.923 3.621 881 H HIS 17 H HIS 17 -0.535 15.856 9.629 882 HA HIS 17 HA HIS 17 -0.748 18.651 9.021 883 HB2 HIS 17 HB1 HIS 17 -2.502 16.842 8.752 884 HB3 HIS 17 HB2 HIS 17 -2.761 16.938 10.504 885 HD1 HIS 17 HD1 HIS 17 -4.011 19.188 11.389 886 HD2 HIS 17 HD2 HIS 17 -3.449 18.873 7.242 887 HE1 HIS 17 HE1 HIS 17 -5.491 20.971 10.320 888 HE2 HIS 17 HE2 HIS 17 -5.144 20.822 7.786 889 H LYS 18 H LYS 18 0.256 17.143 11.952 890 HA LYS 18 HA LYS 18 -0.429 19.209 13.841 891 HB2 LYS 18 HB1 LYS 18 0.449 16.674 13.910 892 HB3 LYS 18 HB2 LYS 18 2.013 17.506 14.084 893 HG2 LYS 18 HG1 LYS 18 1.403 18.427 16.180 894 HG3 LYS 18 HG2 LYS 18 -0.315 18.025 15.949 895 HD2 LYS 18 HD1 LYS 18 1.853 15.883 15.998 896 HD3 LYS 18 HD2 LYS 18 1.060 16.451 17.486 897 HE2 LYS 18 HE1 LYS 18 -0.985 15.511 16.929 898 HE3 LYS 18 HE2 LYS 18 -0.682 15.621 15.181 899 HZ1 LYS 18 HZ1 LYS 18 -0.676 13.355 15.942 900 HZ2 LYS 18 HZ2 LYS 18 0.817 13.772 15.389 901 HZ3 LYS 18 HZ3 LYS 18 0.537 13.670 17.010 902 H TYR 19 H TYR 19 1.826 19.089 11.264 903 HA TYR 19 HA TYR 19 3.175 21.589 12.139 904 HB2 TYR 19 HB1 TYR 19 4.155 19.519 10.144 905 HB3 TYR 19 HB2 TYR 19 5.019 20.976 10.665 906 HD1 TYR 19 HD1 TYR 19 3.731 17.681 11.794 907 HD2 TYR 19 HD2 TYR 19 6.487 20.889 12.608 908 HE1 TYR 19 HE1 TYR 19 4.720 16.346 13.634 909 HE2 TYR 19 HE2 TYR 19 7.501 19.544 14.436 910 HH TYR 19 HH TYR 19 7.457 17.548 15.591 911 H SER 20 H SER 20 1.938 19.883 9.150 912 HA SER 20 HA SER 20 2.119 22.220 7.521 913 HB2 SER 20 HB1 SER 20 1.015 20.963 5.829 914 HB3 SER 20 HB2 SER 20 2.043 19.822 6.730 915 HG SER 20 HG SER 20 -0.043 18.977 6.279 916 H GLY 21 H GLY 21 -0.416 21.164 9.715 917 HA2 GLY 21 HA2 GLY 21 -1.779 23.079 8.514 918 H ARG 22 H ARG 22 -0.284 24.209 9.772 919 HA ARG 22 HA ARG 22 -1.498 25.044 12.280 920 HB2 ARG 22 HB1 ARG 22 1.072 25.664 10.817 921 HB3 ARG 22 HB2 ARG 22 0.590 26.594 12.256 922 HG2 ARG 22 HG1 ARG 22 0.462 24.567 13.591 923 HG3 ARG 22 HG2 ARG 22 0.751 23.554 12.154 924 HD2 ARG 22 HD1 ARG 22 3.017 24.433 11.938 925 HD3 ARG 22 HD2 ARG 22 2.738 25.578 13.268 926 HE ARG 22 HE ARG 22 2.547 22.620 13.636 927 HH11 ARG 22 HH12 ARG 22 4.078 25.651 14.622 928 HH12 ARG 22 HH11 ARG 22 4.680 24.964 16.110 929 HH21 ARG 22 HH22 ARG 22 3.203 21.835 15.567 930 HH22 ARG 22 HH21 ARG 22 4.185 22.811 16.639 931 H GLU 23 H GLU 23 -0.520 26.825 9.332 932 HA GLU 23 HA GLU 23 -2.853 28.613 9.611 933 HB2 GLU 23 HB1 GLU 23 0.053 29.487 9.492 934 HB3 GLU 23 HB2 GLU 23 -1.302 30.553 9.048 935 HG2 GLU 23 HG1 GLU 23 -2.243 30.193 11.358 936 HG3 GLU 23 HG2 GLU 23 -0.757 29.311 11.771 937 H GLY 24 H GLY 24 -3.571 29.351 7.642 938 HA2 GLY 24 HA2 GLY 24 -3.994 28.879 5.872 939 H SER 25 H SER 25 -1.050 27.537 4.811 940 HA SER 25 HA SER 25 -2.779 26.200 2.826 941 HB2 SER 25 HB1 SER 25 0.239 26.571 2.932 942 HB3 SER 25 HB2 SER 25 -0.664 25.798 1.605 943 HG SER 25 HG SER 25 -0.232 28.022 1.210 944 H LYS 26 H LYS 26 -3.608 24.634 4.403 945 HA LYS 26 HA LYS 26 -2.033 23.093 6.132 946 HB2 LYS 26 HB1 LYS 26 -4.748 22.548 4.902 947 HB3 LYS 26 HB2 LYS 26 -4.070 21.663 6.290 948 HG2 LYS 26 HG1 LYS 26 -4.551 23.326 7.751 949 HG3 LYS 26 HG2 LYS 26 -4.104 24.608 6.601 950 HD2 LYS 26 HD1 LYS 26 -6.712 23.049 6.461 951 HD3 LYS 26 HD2 LYS 26 -6.531 24.609 7.297 952 HE2 LYS 26 HE1 LYS 26 -5.796 25.660 5.192 953 HE3 LYS 26 HE2 LYS 26 -5.950 24.103 4.352 954 HZ1 LYS 26 HZ1 LYS 26 -7.840 25.509 3.970 955 HZ2 LYS 26 HZ2 LYS 26 -8.292 24.163 4.805 956 HZ3 LYS 26 HZ3 LYS 26 -8.148 25.609 5.585 957 H LEU 27 H LEU 27 -2.081 22.752 2.813 958 HA LEU 27 HA LEU 27 -1.929 19.998 2.267 959 HB2 LEU 27 HB1 LEU 27 -0.668 22.336 0.789 960 HB3 LEU 27 HB2 LEU 27 -1.033 20.727 0.117 961 HG LEU 27 HG LEU 27 -3.502 21.317 0.536 962 HD11 LEU 27 HD11 LEU 27 -4.056 23.737 0.445 963 HD12 LEU 27 HD12 LEU 27 -3.175 23.336 1.934 964 HD13 LEU 27 HD13 LEU 27 -2.330 24.133 0.586 965 HD21 LEU 27 HD21 LEU 27 -3.591 22.499 -1.650 966 HD22 LEU 27 HD22 LEU 27 -1.856 22.868 -1.518 967 HD23 LEU 27 HD23 LEU 27 -2.397 21.180 -1.684 968 H THR 28 H THR 28 0.589 22.249 3.351 969 HA THR 28 HA THR 28 2.739 20.272 2.904 970 HB THR 28 HB THR 28 4.135 22.080 1.832 971 HG1 THR 28 HG1 THR 28 2.936 23.805 0.907 972 HG21 THR 28 HG21 THR 28 3.167 21.884 -0.435 973 HG22 THR 28 HG22 THR 28 3.126 20.330 0.424 974 HG23 THR 28 HG23 THR 28 1.645 21.304 0.273 975 H LEU 29 H LEU 29 4.817 21.023 3.814 976 HA LEU 29 HA LEU 29 4.630 23.140 5.871 977 HB2 LEU 29 HB1 LEU 29 5.529 21.863 7.587 978 HB3 LEU 29 HB2 LEU 29 4.269 20.842 6.855 979 HG LEU 29 HG LEU 29 7.268 20.520 6.596 980 HD11 LEU 29 HD11 LEU 29 6.850 18.403 7.826 981 HD12 LEU 29 HD12 LEU 29 6.293 19.811 8.760 982 HD13 LEU 29 HD13 LEU 29 5.114 18.793 7.898 983 HD21 LEU 29 HD21 LEU 29 6.814 18.432 5.351 984 HD22 LEU 29 HD22 LEU 29 5.077 18.800 5.381 985 HD23 LEU 29 HD23 LEU 29 6.197 19.852 4.483 986 H SER 30 H SER 30 6.832 23.916 6.602 987 HA SER 30 HA SER 30 8.372 24.381 4.188 988 HB2 SER 30 HB1 SER 30 9.776 25.835 5.658 989 HB3 SER 30 HB2 SER 30 8.040 26.227 5.669 990 HG SER 30 HG SER 30 8.960 26.205 7.779 991 H ARG 31 H ARG 31 10.845 24.274 4.145 992 HA ARG 31 HA ARG 31 11.389 21.492 4.220 993 HB2 ARG 31 HB1 ARG 31 12.271 22.812 2.492 994 HB3 ARG 31 HB2 ARG 31 13.008 23.964 3.630 995 HG2 ARG 31 HG1 ARG 31 14.705 22.536 2.584 996 HG3 ARG 31 HG2 ARG 31 14.615 22.246 4.338 997 HD2 ARG 31 HD1 ARG 31 12.751 20.470 3.234 998 HD3 ARG 31 HD2 ARG 31 14.135 20.412 2.120 999 HE ARG 31 HE ARG 31 15.454 20.160 4.372 1000 HH11 ARG 31 HH12 ARG 31 12.295 18.665 3.871 1001 HH12 ARG 31 HH11 ARG 31 12.715 17.268 4.826 1002 HH21 ARG 31 HH22 ARG 31 15.963 18.327 5.449 1003 HH22 ARG 31 HH21 ARG 31 14.761 17.082 5.704 1004 H LYS 32 H LYS 32 12.863 24.101 6.311 1005 HA LYS 32 HA LYS 32 14.263 22.307 7.998 1006 HB2 LYS 32 HB1 LYS 32 13.127 25.079 8.334 1007 HB3 LYS 32 HB2 LYS 32 13.874 24.240 9.715 1008 HG2 LYS 32 HG1 LYS 32 15.990 24.360 8.817 1009 HG3 LYS 32 HG2 LYS 32 15.405 24.164 7.147 1010 HD2 LYS 32 HD1 LYS 32 14.485 26.511 7.277 1011 HD3 LYS 32 HD2 LYS 32 15.293 26.680 8.854 1012 HE2 LYS 32 HE1 LYS 32 17.469 26.362 7.855 1013 HE3 LYS 32 HE2 LYS 32 16.747 25.911 6.294 1014 HZ1 LYS 32 HZ1 LYS 32 17.509 28.176 6.299 1015 HZ2 LYS 32 HZ2 LYS 32 15.869 28.132 6.132 1016 HZ3 LYS 32 HZ3 LYS 32 16.539 28.550 7.579 1017 H GLU 33 H GLU 33 10.835 23.125 7.977 1018 HA GLU 33 HA GLU 33 10.201 22.113 10.609 1019 HB2 GLU 33 HB1 GLU 33 9.100 23.928 9.363 1020 HB3 GLU 33 HB2 GLU 33 8.516 22.731 8.184 1021 HG2 GLU 33 HG1 GLU 33 6.977 21.824 9.753 1022 HG3 GLU 33 HG2 GLU 33 7.676 22.774 11.081 1023 H LEU 34 H LEU 34 9.908 20.686 7.263 1024 HA LEU 34 HA LEU 34 9.042 18.117 8.137 1025 HB2 LEU 34 HB1 LEU 34 8.888 18.799 5.830 1026 HB3 LEU 34 HB2 LEU 34 10.655 18.991 5.723 1027 HG LEU 34 HG LEU 34 10.984 16.601 5.904 1028 HD11 LEU 34 HD11 LEU 34 9.118 14.970 5.931 1029 HD12 LEU 34 HD12 LEU 34 9.116 15.978 7.390 1030 HD13 LEU 34 HD13 LEU 34 7.961 16.308 6.077 1031 HD21 LEU 34 HD21 LEU 34 9.884 15.874 3.797 1032 HD22 LEU 34 HD22 LEU 34 8.749 17.236 3.924 1033 HD23 LEU 34 HD23 LEU 34 10.484 17.542 3.663 1034 H LYS 35 H LYS 35 12.424 19.401 7.708 1035 HA LYS 35 HA LYS 35 13.793 17.073 8.508 1036 HB2 LYS 35 HB1 LYS 35 14.918 18.908 7.586 1037 HB3 LYS 35 HB2 LYS 35 14.210 20.044 8.757 1038 HG2 LYS 35 HG1 LYS 35 16.278 17.962 9.450 1039 HG3 LYS 35 HG2 LYS 35 16.648 19.646 9.007 1040 HD2 LYS 35 HD1 LYS 35 14.870 20.131 10.973 1041 HD3 LYS 35 HD2 LYS 35 15.458 18.547 11.528 1042 HE2 LYS 35 HE1 LYS 35 17.796 19.362 11.252 1043 HE3 LYS 35 HE2 LYS 35 17.158 20.961 10.808 1044 HZ1 LYS 35 HZ1 LYS 35 17.734 20.847 13.129 1045 HZ2 LYS 35 HZ2 LYS 35 16.109 21.070 12.960 1046 HZ3 LYS 35 HZ3 LYS 35 16.700 19.586 13.373 1047 H GLU 36 H GLU 36 12.084 19.485 10.505 1048 HA GLU 36 HA GLU 36 13.110 18.437 12.998 1049 HB2 GLU 36 HB1 GLU 36 12.405 20.860 12.324 1050 HB3 GLU 36 HB2 GLU 36 10.760 20.308 12.724 1051 HG2 GLU 36 HG1 GLU 36 11.837 21.405 14.647 1052 HG3 GLU 36 HG2 GLU 36 11.501 19.691 14.979 1053 H LEU 37 H LEU 37 10.010 18.176 11.227 1054 HA LEU 37 HA LEU 37 8.435 16.748 13.019 1055 HB2 LEU 37 HB1 LEU 37 7.409 17.434 11.077 1056 HB3 LEU 37 HB2 LEU 37 8.732 16.845 10.040 1057 HG LEU 37 HG LEU 37 7.936 14.553 10.306 1058 HD11 LEU 37 HD11 LEU 37 5.706 14.022 11.246 1059 HD12 LEU 37 HD12 LEU 37 6.805 14.643 12.492 1060 HD13 LEU 37 HD13 LEU 37 5.552 15.701 11.800 1061 HD21 LEU 37 HD21 LEU 37 5.864 14.805 8.946 1062 HD22 LEU 37 HD22 LEU 37 5.741 16.502 9.458 1063 HD23 LEU 37 HD23 LEU 37 7.107 15.974 8.447 1064 H ILE 38 H ILE 38 10.760 15.357 10.662 1065 HA ILE 38 HA ILE 38 10.619 12.661 11.475 1066 HB ILE 38 HB ILE 38 12.852 14.279 10.203 1067 HG12 ILE 38 HG13 ILE 38 10.941 12.411 8.772 1068 HG13 ILE 38 HG12 ILE 38 10.512 14.111 9.082 1069 HG21 ILE 38 HG21 ILE 38 13.738 12.134 9.329 1070 HG22 ILE 38 HG22 ILE 38 13.750 12.167 11.105 1071 HG23 ILE 38 HG23 ILE 38 12.490 11.256 10.238 1072 HD11 ILE 38 HD11 ILE 38 11.464 13.830 6.811 1073 HD12 ILE 38 HD12 ILE 38 12.510 14.844 7.829 1074 HD13 ILE 38 HD13 ILE 38 12.942 13.144 7.521 1075 H LYS 39 H LYS 39 12.407 15.341 12.953 1076 HA LYS 39 HA LYS 39 13.863 13.588 14.770 1077 HB2 LYS 39 HB1 LYS 39 14.079 16.286 13.769 1078 HB3 LYS 39 HB2 LYS 39 14.092 16.319 15.548 1079 HG2 LYS 39 HG1 LYS 39 15.833 14.452 13.894 1080 HG3 LYS 39 HG2 LYS 39 16.369 16.054 14.456 1081 HD2 LYS 39 HD1 LYS 39 16.482 15.395 16.671 1082 HD3 LYS 39 HD2 LYS 39 15.213 14.162 16.481 1083 HE2 LYS 39 HE1 LYS 39 16.843 12.824 15.091 1084 HE3 LYS 39 HE2 LYS 39 18.098 14.001 15.538 1085 HZ1 LYS 39 HZ1 LYS 39 18.100 12.108 16.990 1086 HZ2 LYS 39 HZ2 LYS 39 17.693 13.467 17.834 1087 HZ3 LYS 39 HZ3 LYS 39 16.529 12.373 17.419 1088 H LYS 40 H LYS 40 10.698 14.780 14.825 1089 HA LYS 40 HA LYS 40 10.525 14.609 17.788 1090 HB2 LYS 40 HB1 LYS 40 9.211 16.205 15.639 1091 HB3 LYS 40 HB2 LYS 40 8.167 15.676 16.980 1092 HG2 LYS 40 HG1 LYS 40 9.094 17.948 17.259 1093 HG3 LYS 40 HG2 LYS 40 9.506 16.824 18.577 1094 HD2 LYS 40 HD1 LYS 40 11.781 16.654 17.822 1095 HD3 LYS 40 HD2 LYS 40 11.409 17.535 16.321 1096 HE2 LYS 40 HE1 LYS 40 10.934 19.562 17.532 1097 HE3 LYS 40 HE2 LYS 40 10.971 18.711 19.091 1098 HZ1 LYS 40 HZ1 LYS 40 12.996 19.911 18.688 1099 HZ2 LYS 40 HZ2 LYS 40 13.299 18.291 18.735 1100 HZ3 LYS 40 HZ3 LYS 40 13.267 19.080 17.288 1101 H GLU 41 H GLU 41 8.887 13.508 14.744 1102 HA GLU 41 HA GLU 41 7.159 11.658 16.142 1103 HB2 GLU 41 HB1 GLU 41 6.656 10.773 13.888 1104 HB3 GLU 41 HB2 GLU 41 6.454 12.537 14.013 1105 HG2 GLU 41 HG1 GLU 41 7.958 12.924 12.394 1106 HG3 GLU 41 HG2 GLU 41 9.131 11.788 13.096 1107 H LEU 42 H LEU 42 10.422 11.567 15.106 1108 HA LEU 42 HA LEU 42 10.754 8.824 16.028 1109 HB2 LEU 42 HB1 LEU 42 10.671 9.559 13.213 1110 HB3 LEU 42 HB2 LEU 42 12.268 8.908 13.652 1111 HG LEU 42 HG LEU 42 9.633 7.519 14.260 1112 HD11 LEU 42 HD11 LEU 42 10.193 6.007 12.370 1113 HD12 LEU 42 HD12 LEU 42 9.995 7.684 11.813 1114 HD13 LEU 42 HD13 LEU 42 11.626 6.997 12.006 1115 HD21 LEU 42 HD21 LEU 42 11.066 5.526 14.648 1116 HD22 LEU 42 HD22 LEU 42 12.510 6.504 14.310 1117 HD23 LEU 42 HD23 LEU 42 11.511 6.859 15.738 1118 H CYS 43 H CYS 43 13.062 8.243 15.938 1119 HA CYS 43 HA CYS 43 15.065 10.379 16.264 1120 HB2 CYS 43 HB1 CYS 43 13.713 9.884 18.446 1121 HB3 CYS 43 HB2 CYS 43 14.626 8.356 18.461 1122 HG CYS 43 HG CYS 43 15.708 10.055 20.122 1123 H LEU 44 H LEU 44 17.125 9.495 15.596 1124 HA LEU 44 HA LEU 44 16.865 6.909 14.210 1125 HB2 LEU 44 HB1 LEU 44 16.375 9.618 12.942 1126 HB3 LEU 44 HB2 LEU 44 17.007 8.266 11.974 1127 HG LEU 44 HG LEU 44 14.419 8.103 13.542 1128 HD11 LEU 44 HD11 LEU 44 13.269 8.581 11.398 1129 HD12 LEU 44 HD12 LEU 44 14.284 9.952 11.905 1130 HD13 LEU 44 HD13 LEU 44 14.844 8.857 10.617 1131 HD21 LEU 44 HD21 LEU 44 13.932 6.241 11.982 1132 HD22 LEU 44 HD22 LEU 44 15.508 6.488 11.197 1133 HD23 LEU 44 HD23 LEU 44 15.432 5.945 12.890 1134 H GLY 45 H GLY 45 18.677 9.890 14.832 1135 HA2 GLY 45 HA2 GLY 45 20.611 8.541 13.575 1136 H GLU 46 H GLU 46 20.409 9.715 16.475 1137 HA GLU 46 HA GLU 46 22.595 8.190 17.501 1138 HB2 GLU 46 HB1 GLU 46 21.289 8.358 19.617 1139 HB3 GLU 46 HB2 GLU 46 21.549 9.921 18.807 1140 HG2 GLU 46 HG1 GLU 46 18.991 8.347 18.428 1141 HG3 GLU 46 HG2 GLU 46 19.215 9.439 19.811 1142 H MET 47 H MET 47 20.420 6.931 15.508 1143 HA MET 47 HA MET 47 20.467 4.295 16.893 1144 HB2 MET 47 HB1 MET 47 18.183 5.519 16.295 1145 HB3 MET 47 HB2 MET 47 18.546 4.929 14.655 1146 HG2 MET 47 HG1 MET 47 19.110 2.703 16.083 1147 HG3 MET 47 HG2 MET 47 17.881 3.420 17.139 1148 HE1 MET 47 HE1 MET 47 14.714 3.554 14.865 1149 HE2 MET 47 HE2 MET 47 15.381 3.818 16.495 1150 HE3 MET 47 HE3 MET 47 15.913 4.842 15.139 1151 H LYS 48 H LYS 48 20.591 5.993 13.808 1152 HA LYS 48 HA LYS 48 22.605 4.220 12.566 1153 HB2 LYS 48 HB1 LYS 48 19.796 4.760 11.939 1154 HB3 LYS 48 HB2 LYS 48 20.847 5.351 10.629 1155 HG2 LYS 48 HG1 LYS 48 20.158 3.082 10.213 1156 HG3 LYS 48 HG2 LYS 48 21.914 3.184 10.486 1157 HD2 LYS 48 HD1 LYS 48 20.889 1.152 11.443 1158 HD3 LYS 48 HD2 LYS 48 21.684 2.173 12.666 1159 HE2 LYS 48 HE1 LYS 48 19.438 3.152 13.224 1160 HE3 LYS 48 HE2 LYS 48 18.697 1.991 12.100 1161 HZ1 LYS 48 HZ1 LYS 48 18.631 1.212 14.353 1162 HZ2 LYS 48 HZ2 LYS 48 19.585 0.224 13.440 1163 HZ3 LYS 48 HZ3 LYS 48 20.272 1.301 14.483 1164 H GLU 49 H GLU 49 24.362 5.516 12.365 1165 HA GLU 49 HA GLU 49 24.153 8.419 12.105 1166 HB2 GLU 49 HB1 GLU 49 26.469 6.474 12.311 1167 HB3 GLU 49 HB2 GLU 49 26.700 8.217 12.036 1168 HG2 GLU 49 HG1 GLU 49 25.436 8.685 14.137 1169 HG3 GLU 49 HG2 GLU 49 25.303 6.936 14.421 1170 H SER 50 H SER 50 25.515 9.566 10.484 1171 HA SER 50 HA SER 50 26.337 10.117 8.476 1172 HB2 SER 50 HB1 SER 50 27.678 8.033 8.740 1173 HB3 SER 50 HB2 SER 50 26.442 7.163 7.801 1174 HG SER 50 HG SER 50 28.206 7.869 6.509 1175 H SER 51 H SER 51 24.051 7.375 7.743 1176 HA SER 51 HA SER 51 23.382 8.456 5.183 1177 HB2 SER 51 HB1 SER 51 21.685 6.525 6.800 1178 HB3 SER 51 HB2 SER 51 21.843 6.640 5.030 1179 HG SER 51 HG SER 51 23.054 4.897 5.920 1180 H ILE 52 H ILE 52 21.995 9.002 8.400 1181 HA ILE 52 HA ILE 52 19.591 10.276 7.527 1182 HB ILE 52 HB ILE 52 19.540 11.319 9.740 1183 HG12 ILE 52 HG13 ILE 52 21.550 10.249 11.275 1184 HG13 ILE 52 HG12 ILE 52 22.418 10.695 9.786 1185 HG21 ILE 52 HG21 ILE 52 19.429 9.255 11.088 1186 HG22 ILE 52 HG22 ILE 52 18.739 9.021 9.468 1187 HG23 ILE 52 HG23 ILE 52 20.364 8.398 9.843 1188 HD11 ILE 52 HD11 ILE 52 22.449 12.556 11.426 1189 HD12 ILE 52 HD12 ILE 52 21.541 13.001 9.964 1190 HD13 ILE 52 HD13 ILE 52 20.671 12.555 11.452 1191 H ASP 53 H ASP 53 22.903 11.382 7.450 1192 HA ASP 53 HA ASP 53 22.158 14.210 7.800 1193 HB2 ASP 53 HB1 ASP 53 24.016 13.173 9.091 1194 HB3 ASP 53 HB2 ASP 53 24.873 12.850 7.568 1195 H ASP 54 H ASP 54 23.741 12.117 5.306 1196 HA ASP 54 HA ASP 54 24.010 14.081 3.295 1197 HB2 ASP 54 HB1 ASP 54 24.964 11.843 3.047 1198 HB3 ASP 54 HB2 ASP 54 23.343 11.117 3.043 1199 H LEU 55 H LEU 55 21.226 11.863 3.912 1200 HA LEU 55 HA LEU 55 19.677 12.710 1.704 1201 HB2 LEU 55 HB1 LEU 55 18.826 11.461 4.335 1202 HB3 LEU 55 HB2 LEU 55 17.808 11.587 2.880 1203 HG LEU 55 HG LEU 55 20.418 10.052 3.066 1204 HD11 LEU 55 HD11 LEU 55 18.986 8.025 3.044 1205 HD12 LEU 55 HD12 LEU 55 18.639 9.048 4.458 1206 HD13 LEU 55 HD13 LEU 55 17.535 9.056 3.062 1207 HD21 LEU 55 HD21 LEU 55 19.752 9.055 0.898 1208 HD22 LEU 55 HD22 LEU 55 18.309 10.090 0.870 1209 HD23 LEU 55 HD23 LEU 55 19.930 10.818 0.772 1210 H MET 56 H MET 56 19.667 13.836 5.122 1211 HA MET 56 HA MET 56 17.602 15.753 4.849 1212 HB2 MET 56 HB1 MET 56 19.981 15.517 6.692 1213 HB3 MET 56 HB2 MET 56 18.869 16.905 6.781 1214 HG2 MET 56 HG1 MET 56 17.975 14.012 6.878 1215 HG3 MET 56 HG2 MET 56 18.333 14.972 8.322 1216 HE1 MET 56 HE1 MET 56 14.891 15.457 9.210 1217 HE2 MET 56 HE2 MET 56 16.022 14.081 9.088 1218 HE3 MET 56 HE3 MET 56 16.604 15.661 9.667 1219 H LYS 57 H LYS 57 21.193 16.334 4.535 1220 HA LYS 57 HA LYS 57 21.000 18.961 3.534 1221 HB2 LYS 57 HB1 LYS 57 23.040 16.819 3.525 1222 HB3 LYS 57 HB2 LYS 57 23.179 17.968 2.174 1223 HG2 LYS 57 HG1 LYS 57 24.507 18.847 3.962 1224 HG3 LYS 57 HG2 LYS 57 23.030 19.837 3.886 1225 HD2 LYS 57 HD1 LYS 57 22.815 19.449 6.094 1226 HD3 LYS 57 HD2 LYS 57 22.353 17.788 5.652 1227 HE2 LYS 57 HE1 LYS 57 25.164 18.764 6.279 1228 HE3 LYS 57 HE2 LYS 57 24.127 17.798 7.351 1229 HZ1 LYS 57 HZ1 LYS 57 25.715 16.443 6.196 1230 HZ2 LYS 57 HZ2 LYS 57 24.185 16.047 5.729 1231 HZ3 LYS 57 HZ3 LYS 57 25.146 16.943 4.732 1232 H SER 58 H SER 58 20.333 15.919 1.908 1233 HA SER 58 HA SER 58 20.379 17.075 -0.718 1234 HB2 SER 58 HB1 SER 58 20.621 14.550 0.066 1235 HB3 SER 58 HB2 SER 58 18.879 14.551 -0.306 1236 HG SER 58 HG SER 58 20.184 14.083 -2.152 1237 H LEU 59 H LEU 59 17.926 17.073 1.756 1238 HA LEU 59 HA LEU 59 15.872 18.054 -0.152 1239 HB2 LEU 59 HB1 LEU 59 15.811 17.357 2.800 1240 HB3 LEU 59 HB2 LEU 59 14.424 17.990 1.883 1241 HG LEU 59 HG LEU 59 15.779 15.303 1.484 1242 HD11 LEU 59 HD11 LEU 59 13.616 14.454 2.365 1243 HD12 LEU 59 HD12 LEU 59 14.407 15.528 3.544 1244 HD13 LEU 59 HD13 LEU 59 13.040 16.127 2.574 1245 HD21 LEU 59 HD21 LEU 59 13.939 14.822 -0.103 1246 HD22 LEU 59 HD22 LEU 59 13.345 16.488 0.082 1247 HD23 LEU 59 HD23 LEU 59 14.932 16.185 -0.666 1248 H ASP 60 H ASP 60 17.505 18.999 2.890 1249 HA ASP 60 HA ASP 60 16.716 21.695 3.026 1250 HB2 ASP 60 HB1 ASP 60 18.840 19.984 4.225 1251 HB3 ASP 60 HB2 ASP 60 19.056 21.745 4.336 1252 H LYS 61 H LYS 61 18.942 20.256 0.846 1253 HA LYS 61 HA LYS 61 20.215 21.993 -0.648 1254 HB2 LYS 61 HB1 LYS 61 19.108 19.730 -1.124 1255 HB3 LYS 61 HB2 LYS 61 17.657 20.648 -1.595 1256 HG2 LYS 61 HG1 LYS 61 18.601 20.179 -3.629 1257 HG3 LYS 61 HG2 LYS 61 19.254 21.801 -3.295 1258 HD2 LYS 61 HD1 LYS 61 20.918 20.253 -4.264 1259 HD3 LYS 61 HD2 LYS 61 21.384 20.887 -2.667 1260 HE2 LYS 61 HE1 LYS 61 21.968 18.492 -3.008 1261 HE3 LYS 61 HE2 LYS 61 20.906 18.779 -1.613 1262 HZ1 LYS 61 HZ1 LYS 61 20.230 16.854 -2.863 1263 HZ2 LYS 61 HZ2 LYS 61 19.067 18.018 -2.935 1264 HZ3 LYS 61 HZ3 LYS 61 20.052 17.752 -4.231 1265 H ASN 62 H ASN 62 16.592 22.368 -0.329 1266 HA ASN 62 HA ASN 62 16.972 25.274 -0.898 1267 HB2 ASN 62 HB1 ASN 62 14.931 23.343 -1.959 1268 HB3 ASN 62 HB2 ASN 62 14.479 25.043 -1.699 1269 HD21 ASN 62 HD21 ASN 62 17.803 24.514 -2.720 1270 HD22 ASN 62 HD22 ASN 62 17.563 24.996 -4.396 1271 H SER 63 H SER 63 17.016 25.965 1.257 1272 HA SER 63 HA SER 63 16.288 23.988 3.170 1273 HB2 SER 63 HB1 SER 63 17.249 26.752 3.900 1274 HB3 SER 63 HB2 SER 63 17.657 25.184 4.638 1275 HG SER 63 HG SER 63 19.370 26.043 3.370 1276 H ASP 64 H ASP 64 14.226 26.396 2.066 1277 HA ASP 64 HA ASP 64 12.764 26.510 4.657 1278 HB2 ASP 64 HB1 ASP 64 13.518 28.827 2.830 1279 HB3 ASP 64 HB2 ASP 64 12.329 28.947 4.146 1280 H GLN 65 H GLN 65 12.614 25.492 1.508 1281 HA GLN 65 HA GLN 65 10.064 26.721 0.780 1282 HB2 GLN 65 HB1 GLN 65 11.792 24.638 -0.584 1283 HB3 GLN 65 HB2 GLN 65 10.293 25.313 -1.266 1284 HG2 GLN 65 HG1 GLN 65 12.894 26.759 -0.711 1285 HG3 GLN 65 HG2 GLN 65 12.169 26.392 -2.293 1286 HE21 GLN 65 HE12 GLN 65 9.393 27.349 -1.463 1287 HE22 GLN 65 HE22 GLN 65 9.543 29.087 -1.389 1288 H GLU 66 H GLU 66 8.481 25.089 -0.369 1289 HA GLU 66 HA GLU 66 7.423 23.644 1.917 1290 HB2 GLU 66 HB1 GLU 66 5.918 23.925 -0.649 1291 HB3 GLU 66 HB2 GLU 66 5.329 23.905 1.030 1292 HG2 GLU 66 HG1 GLU 66 4.951 26.099 0.498 1293 HG3 GLU 66 HG2 GLU 66 6.596 26.224 1.158 1294 H ILE 67 H ILE 67 7.165 21.531 2.130 1295 HA ILE 67 HA ILE 67 7.343 19.776 -0.267 1296 HB ILE 67 HB ILE 67 8.664 19.247 2.418 1297 HG12 ILE 67 HG13 ILE 67 9.858 19.792 -0.334 1298 HG13 ILE 67 HG12 ILE 67 9.874 20.909 1.052 1299 HG21 ILE 67 HG21 ILE 67 9.556 17.193 1.347 1300 HG22 ILE 67 HG22 ILE 67 7.779 17.178 1.392 1301 HG23 ILE 67 HG23 ILE 67 8.627 17.562 -0.124 1302 HD11 ILE 67 HD11 ILE 67 12.074 19.816 0.761 1303 HD12 ILE 67 HD12 ILE 67 11.313 19.346 2.294 1304 HD13 ILE 67 HD13 ILE 67 11.296 18.228 0.911 1305 H ASP 68 H ASP 68 6.216 17.720 0.007 1306 HA ASP 68 HA ASP 68 3.803 18.008 1.710 1307 HB2 ASP 68 HB1 ASP 68 2.508 17.215 -0.097 1308 HB3 ASP 68 HB2 ASP 68 3.689 18.299 -0.863 1309 H PHE 69 H PHE 69 2.541 15.811 1.572 1310 HA PHE 69 HA PHE 69 3.775 14.031 3.379 1311 HB2 PHE 69 HB1 PHE 69 1.359 14.671 3.133 1312 HB3 PHE 69 HB2 PHE 69 1.284 13.642 1.692 1313 HD1 PHE 69 HD1 PHE 69 1.381 11.202 1.882 1314 HD2 PHE 69 HD2 PHE 69 1.377 13.709 5.373 1315 HE1 PHE 69 HE1 PHE 69 0.855 9.224 3.294 1316 HE2 PHE 69 HE2 PHE 69 0.832 11.743 6.789 1317 HZ PHE 69 HZ PHE 69 0.576 9.494 5.750 1318 H LYS 70 H LYS 70 3.811 13.898 -0.160 1319 HA LYS 70 HA LYS 70 4.189 11.052 -0.464 1320 HB2 LYS 70 HB1 LYS 70 3.393 12.508 -2.242 1321 HB3 LYS 70 HB2 LYS 70 4.859 13.510 -2.128 1322 HG2 LYS 70 HG1 LYS 70 6.155 11.450 -2.899 1323 HG3 LYS 70 HG2 LYS 70 4.575 10.731 -3.295 1324 HD2 LYS 70 HD1 LYS 70 4.007 12.734 -4.665 1325 HD3 LYS 70 HD2 LYS 70 5.585 13.455 -4.267 1326 HE2 LYS 70 HE1 LYS 70 5.396 10.706 -5.496 1327 HE3 LYS 70 HE2 LYS 70 5.324 12.162 -6.512 1328 HZ1 LYS 70 HZ1 LYS 70 7.553 11.326 -6.315 1329 HZ2 LYS 70 HZ2 LYS 70 7.442 12.814 -5.615 1330 HZ3 LYS 70 HZ3 LYS 70 7.509 11.462 -4.672 1331 H GLU 71 H GLU 71 6.351 13.856 -0.453 1332 HA GLU 71 HA GLU 71 8.738 12.245 -0.839 1333 HB2 GLU 71 HB1 GLU 71 8.519 15.219 -0.361 1334 HB3 GLU 71 HB2 GLU 71 9.842 14.324 -1.145 1335 HG2 GLU 71 HG1 GLU 71 7.009 14.521 -2.233 1336 HG3 GLU 71 HG2 GLU 71 8.350 15.576 -2.730 1337 H TYR 72 H TYR 72 7.097 13.803 1.867 1338 HA TYR 72 HA TYR 72 8.826 13.045 3.980 1339 HB2 TYR 72 HB1 TYR 72 6.991 14.436 4.400 1340 HB3 TYR 72 HB2 TYR 72 5.867 13.381 3.525 1341 HD1 TYR 72 HD1 TYR 72 8.127 13.062 6.535 1342 HD2 TYR 72 HD2 TYR 72 4.242 12.387 4.807 1343 HE1 TYR 72 HE1 TYR 72 7.271 12.324 8.750 1344 HE2 TYR 72 HE2 TYR 72 3.380 11.644 7.017 1345 HH TYR 72 HH TYR 72 3.847 11.317 9.224 1346 H SER 73 H SER 73 6.118 11.124 2.528 1347 HA SER 73 HA SER 73 6.472 8.767 4.000 1348 HB2 SER 73 HB1 SER 73 4.473 9.229 2.740 1349 HB3 SER 73 HB2 SER 73 5.383 9.244 1.209 1350 HG SER 73 HG SER 73 4.304 7.257 1.583 1351 H VAL 74 H VAL 74 7.945 9.522 0.746 1352 HA VAL 74 HA VAL 74 9.268 6.996 0.623 1353 HB VAL 74 HB VAL 74 10.653 7.842 -1.129 1354 HG11 VAL 74 HG11 VAL 74 8.937 8.475 -2.760 1355 HG12 VAL 74 HG12 VAL 74 8.387 7.174 -1.683 1356 HG13 VAL 74 HG13 VAL 74 7.817 8.841 -1.431 1357 HG21 VAL 74 HG21 VAL 74 10.626 10.155 -1.939 1358 HG22 VAL 74 HG22 VAL 74 9.584 10.611 -0.576 1359 HG23 VAL 74 HG23 VAL 74 11.242 10.035 -0.279 1360 H PHE 75 H PHE 75 10.167 9.994 2.256 1361 HA PHE 75 HA PHE 75 12.961 9.278 2.572 1362 HB2 PHE 75 HB1 PHE 75 11.939 11.599 2.416 1363 HB3 PHE 75 HB2 PHE 75 11.393 11.364 4.085 1364 HD1 PHE 75 HD2 PHE 75 13.040 11.306 5.957 1365 HD2 PHE 75 HD1 PHE 75 14.308 11.890 1.887 1366 HE1 PHE 75 HE2 PHE 75 15.084 12.473 6.754 1367 HE2 PHE 75 HE1 PHE 75 16.291 13.143 2.684 1368 HZ PHE 75 HZ PHE 75 16.679 13.453 5.115 1369 H LEU 76 H LEU 76 10.083 9.292 4.810 1370 HA LEU 76 HA LEU 76 11.362 8.035 6.994 1371 HB2 LEU 76 HB1 LEU 76 8.525 7.801 5.952 1372 HB3 LEU 76 HB2 LEU 76 9.078 7.085 7.486 1373 HG LEU 76 HG LEU 76 8.807 10.022 6.793 1374 HD11 LEU 76 HD11 LEU 76 7.191 9.925 8.675 1375 HD12 LEU 76 HD12 LEU 76 6.759 8.760 7.398 1376 HD13 LEU 76 HD13 LEU 76 7.546 8.192 8.889 1377 HD21 LEU 76 HD21 LEU 76 9.598 10.528 9.081 1378 HD22 LEU 76 HD22 LEU 76 9.970 8.808 9.329 1379 HD23 LEU 76 HD23 LEU 76 10.871 9.747 8.115 1380 H THR 77 H THR 77 9.702 6.575 4.126 1381 HA THR 77 HA THR 77 10.207 3.879 4.833 1382 HB THR 77 HB THR 77 9.827 5.140 2.094 1383 HG1 THR 77 HG1 THR 77 7.713 4.334 2.508 1384 HG21 THR 77 HG21 THR 77 9.227 2.820 1.434 1385 HG22 THR 77 HG22 THR 77 10.916 2.901 1.991 1386 HG23 THR 77 HG23 THR 77 9.657 2.243 3.063 1387 H MET 78 H MET 78 12.199 6.185 2.932 1388 HA MET 78 HA MET 78 14.263 4.344 2.268 1389 HB2 MET 78 HB1 MET 78 13.858 6.437 1.123 1390 HB3 MET 78 HB2 MET 78 14.262 7.351 2.596 1391 HG2 MET 78 HG1 MET 78 16.530 6.959 2.380 1392 HG3 MET 78 HG2 MET 78 16.298 5.516 1.378 1393 HE1 MET 78 HE1 MET 78 15.530 9.845 -0.182 1394 HE2 MET 78 HE2 MET 78 14.422 8.968 0.897 1395 HE3 MET 78 HE3 MET 78 16.022 9.477 1.486 1396 H LEU 79 H LEU 79 13.932 6.471 5.189 1397 HA LEU 79 HA LEU 79 16.423 5.506 6.269 1398 HB2 LEU 79 HB1 LEU 79 14.701 7.576 6.903 1399 HB3 LEU 79 HB2 LEU 79 14.519 6.453 8.272 1400 HG LEU 79 HG LEU 79 16.218 7.981 8.866 1401 HD11 LEU 79 HD11 LEU 79 18.290 6.669 9.129 1402 HD12 LEU 79 HD12 LEU 79 16.845 5.700 9.476 1403 HD13 LEU 79 HD13 LEU 79 17.695 5.509 7.926 1404 HD21 LEU 79 HD21 LEU 79 18.176 8.514 7.450 1405 HD22 LEU 79 HD22 LEU 79 17.556 7.422 6.191 1406 HD23 LEU 79 HD23 LEU 79 16.649 8.892 6.624 1407 H CYS 80 H CYS 80 13.022 4.384 6.633 1408 HA CYS 80 HA CYS 80 13.671 2.439 8.650 1409 HB2 CYS 80 HB1 CYS 80 11.396 3.474 8.123 1410 HB3 CYS 80 HB2 CYS 80 11.310 2.344 6.748 1411 HG CYS 80 HG CYS 80 9.941 1.393 8.765 1412 H MET 81 H MET 81 13.842 2.361 5.119 1413 HA MET 81 HA MET 81 14.485 -0.428 4.863 1414 HB2 MET 81 HB1 MET 81 13.769 1.149 3.022 1415 HB3 MET 81 HB2 MET 81 15.385 1.891 3.116 1416 HG2 MET 81 HG1 MET 81 15.458 0.304 1.337 1417 HG3 MET 81 HG2 MET 81 16.364 -0.393 2.691 1418 HE1 MET 81 HE1 MET 81 12.653 -2.011 0.605 1419 HE2 MET 81 HE2 MET 81 12.782 -0.283 1.013 1420 HE3 MET 81 HE3 MET 81 13.990 -1.038 -0.053 1421 H ALA 82 H ALA 82 16.437 2.507 5.502 1422 HA ALA 82 HA ALA 82 18.979 1.255 5.157 1423 HB1 ALA 82 HB1 ALA 82 19.845 3.409 5.983 1424 HB2 ALA 82 HB2 ALA 82 18.557 3.636 4.775 1425 HB3 ALA 82 HB3 ALA 82 18.206 3.865 6.505 1426 H TYR 83 H TYR 83 17.072 0.147 7.369 1427 HA TYR 83 HA TYR 83 19.286 -0.892 8.863 1428 HB2 TYR 83 HB1 TYR 83 18.439 -0.348 11.102 1429 HB3 TYR 83 HB2 TYR 83 19.012 1.050 10.173 1430 HD1 TYR 83 HD2 TYR 83 15.901 -0.715 11.286 1431 HD2 TYR 83 HD1 TYR 83 17.684 2.988 9.987 1432 HE1 TYR 83 HE2 TYR 83 13.839 0.506 11.937 1433 HE2 TYR 83 HE1 TYR 83 15.675 4.222 10.747 1434 HH TYR 83 HH TYR 83 12.793 2.542 12.081 1435 H ASN 84 H ASN 84 16.594 -1.653 7.250 1436 HA ASN 84 HA ASN 84 15.467 -3.530 9.167 1437 HB2 ASN 84 HB1 ASN 84 13.770 -4.005 7.562 1438 HB3 ASN 84 HB2 ASN 84 13.998 -2.249 7.717 1439 HD21 ASN 84 HD21 ASN 84 12.644 -2.714 5.621 1440 HD22 ASN 84 HD22 ASN 84 13.585 -2.744 4.141 1441 H ASP 85 H ASP 85 18.219 -3.876 7.321 1442 HA ASP 85 HA ASP 85 18.178 -6.650 6.892 1443 HB2 ASP 85 HB1 ASP 85 20.314 -4.777 7.922 1444 HB3 ASP 85 HB2 ASP 85 20.614 -6.520 7.740 1445 H PHE 86 H PHE 86 17.937 -4.904 9.933 1446 HA PHE 86 HA PHE 86 18.476 -6.961 11.789 1447 HB2 PHE 86 HB1 PHE 86 18.160 -4.491 12.150 1448 HB3 PHE 86 HB2 PHE 86 16.417 -4.735 11.943 1449 HD1 PHE 86 HD1 PHE 86 19.304 -5.981 14.009 1450 HD2 PHE 86 HD2 PHE 86 15.090 -5.091 13.841 1451 HE1 PHE 86 HE1 PHE 86 19.106 -6.456 16.440 1452 HE2 PHE 86 HE2 PHE 86 14.899 -5.560 16.275 1453 HZ PHE 86 HZ PHE 86 16.905 -6.238 17.576 1454 H PHE 87 H PHE 87 15.780 -6.672 9.583 1455 HA PHE 87 HA PHE 87 14.316 -8.860 10.956 1456 HB2 PHE 87 HB1 PHE 87 13.439 -7.119 8.630 1457 HB3 PHE 87 HB2 PHE 87 12.433 -8.232 9.571 1458 HD1 PHE 87 HD2 PHE 87 13.072 -7.521 12.381 1459 HD2 PHE 87 HD1 PHE 87 12.530 -5.021 8.919 1460 HE1 PHE 87 HE2 PHE 87 12.443 -5.618 13.848 1461 HE2 PHE 87 HE1 PHE 87 11.980 -3.099 10.386 1462 HZ PHE 87 HZ PHE 87 11.933 -3.393 12.858 1463 H LEU 88 H LEU 88 16.722 -8.619 8.697 1464 HA LEU 88 HA LEU 88 15.740 -10.561 6.756 1465 HB2 LEU 88 HB1 LEU 88 17.304 -8.435 6.504 1466 HB3 LEU 88 HB2 LEU 88 18.575 -9.627 6.863 1467 HG LEU 88 HG LEU 88 16.486 -9.951 4.712 1468 HD11 LEU 88 HD11 LEU 88 18.213 -9.312 3.065 1469 HD12 LEU 88 HD12 LEU 88 17.878 -8.000 4.214 1470 HD13 LEU 88 HD13 LEU 88 19.346 -8.988 4.395 1471 HD21 LEU 88 HD21 LEU 88 17.957 -11.678 3.736 1472 HD22 LEU 88 HD22 LEU 88 19.096 -11.448 5.078 1473 HD23 LEU 88 HD23 LEU 88 17.464 -12.086 5.390 1474 H GLU 89 H GLU 89 18.921 -11.202 7.318 1475 HA GLU 89 HA GLU 89 18.808 -13.168 9.397 1476 HB2 GLU 89 HB1 GLU 89 17.968 -13.996 6.763 1477 HB3 GLU 89 HB2 GLU 89 19.468 -14.843 7.211 1478 HG2 GLU 89 HG1 GLU 89 18.496 -15.914 9.008 1479 HG3 GLU 89 HG2 GLU 89 17.343 -14.597 9.309 1480 H ASP 90 H ASP 90 20.544 -11.043 7.519 1481 HA ASP 90 HA ASP 90 22.679 -10.344 7.828 1482 HB2 ASP 90 HB1 ASP 90 22.254 -10.382 10.093 1483 HB3 ASP 90 HB2 ASP 90 22.313 -12.154 10.186 1484 H ASN 91 H ASN 91 22.230 -12.192 5.825 1485 HA ASN 91 HA ASN 91 23.355 -13.263 4.214 1486 HB2 ASN 91 HB1 ASN 91 25.703 -11.753 5.383 1487 HB3 ASN 91 HB2 ASN 91 25.645 -12.484 3.764 1488 HD21 ASN 91 HD21 ASN 91 22.985 -11.737 3.010 1489 HD22 ASN 91 HD22 ASN 91 22.948 -9.990 2.830 1490 H LYS 92 H LYS 92 22.875 -15.125 6.079 1491 HA LYS 92 HA LYS 92 25.201 -16.870 6.204 1492 HB2 LYS 92 HB1 LYS 92 22.282 -17.663 6.319 1493 HB3 LYS 92 HB2 LYS 92 23.686 -18.584 6.908 1494 HG2 LYS 92 HG1 LYS 92 22.564 -16.010 8.058 1495 HG3 LYS 92 HG2 LYS 92 22.514 -17.631 8.792 1496 HD2 LYS 92 HD1 LYS 92 24.888 -17.620 9.172 1497 HD3 LYS 92 HD2 LYS 92 25.097 -16.144 8.197 1498 HE2 LYS 92 HE1 LYS 92 23.493 -16.272 10.782 1499 HE3 LYS 92 HE2 LYS 92 25.194 -15.764 10.686 1500 HZ1 LYS 92 HZ1 LYS 92 23.706 -13.900 10.640 1501 HZ2 LYS 92 HZ2 LYS 92 24.521 -14.009 9.210 1502 HZ3 LYS 92 HZ3 LYS 92 22.942 -14.481 9.299 Start of MODEL 21 1 HA MET 1 HA MET 1 8.203 1.659 16.836 2 HB2 MET 1 HB1 MET 1 8.249 0.230 19.496 3 HB3 MET 1 HB2 MET 1 6.802 0.915 18.716 4 HG2 MET 1 HG1 MET 1 6.829 -1.431 18.316 5 HG3 MET 1 HG2 MET 1 7.172 -0.595 16.794 6 HE1 MET 1 HE1 MET 1 10.412 -2.860 19.269 7 HE2 MET 1 HE2 MET 1 9.744 -1.285 19.749 8 HE3 MET 1 HE3 MET 1 8.708 -2.734 19.762 9 H GLU 2 H GLU 2 7.821 2.158 20.187 10 HA GLU 2 HA GLU 2 8.365 3.647 21.759 11 HB2 GLU 2 HB1 GLU 2 10.489 4.609 19.822 12 HB3 GLU 2 HB2 GLU 2 10.311 5.181 21.498 13 HG2 GLU 2 HG1 GLU 2 12.065 3.570 21.498 14 HG3 GLU 2 HG2 GLU 2 10.653 2.795 22.251 15 H THR 3 H THR 3 8.372 5.239 18.594 16 HA THR 3 HA THR 3 6.920 7.594 19.655 17 HB THR 3 HB THR 3 8.056 8.921 18.227 18 HG1 THR 3 HG1 THR 3 8.925 8.217 16.232 19 HG21 THR 3 HG21 THR 3 10.454 8.364 18.009 20 HG22 THR 3 HG22 THR 3 9.822 7.948 19.612 21 HG23 THR 3 HG23 THR 3 10.082 6.674 18.396 22 HA PRO 4 HA PRO 4 3.488 6.599 17.068 23 HB2 PRO 4 HB1 PRO 4 2.620 8.954 15.953 24 HB3 PRO 4 HB2 PRO 4 2.454 8.557 17.694 25 HG2 PRO 4 HG1 PRO 4 4.589 10.232 16.370 26 HG3 PRO 4 HG2 PRO 4 3.651 10.610 17.852 27 HD2 PRO 4 HD1 PRO 4 6.174 9.543 17.939 28 HD3 PRO 4 HD2 PRO 4 4.922 9.084 19.133 29 H LEU 5 H LEU 5 5.769 8.805 15.275 30 HA LEU 5 HA LEU 5 4.822 7.948 12.721 31 HB2 LEU 5 HB1 LEU 5 5.879 10.090 13.097 32 HB3 LEU 5 HB2 LEU 5 7.409 9.286 13.524 33 HG LEU 5 HG LEU 5 7.722 8.530 11.256 34 HD11 LEU 5 HD11 LEU 5 6.177 9.119 9.406 35 HD12 LEU 5 HD12 LEU 5 5.380 8.074 10.601 36 HD13 LEU 5 HD13 LEU 5 5.045 9.821 10.582 37 HD21 LEU 5 HD21 LEU 5 7.909 10.741 10.132 38 HD22 LEU 5 HD22 LEU 5 6.798 11.445 11.331 39 HD23 LEU 5 HD23 LEU 5 8.397 10.851 11.840 40 H GLU 6 H GLU 6 7.716 6.826 14.626 41 HA GLU 6 HA GLU 6 8.414 4.834 12.710 42 HB2 GLU 6 HB1 GLU 6 10.049 5.359 14.280 43 HB3 GLU 6 HB2 GLU 6 8.941 5.127 15.653 44 HG2 GLU 6 HG1 GLU 6 10.688 3.384 15.450 45 HG3 GLU 6 HG2 GLU 6 9.024 2.759 15.430 46 H LYS 7 H LYS 7 5.969 4.633 15.484 47 HA LYS 7 HA LYS 7 5.722 1.826 15.055 48 HB2 LYS 7 HB1 LYS 7 4.108 1.719 16.569 49 HB3 LYS 7 HB2 LYS 7 4.876 3.263 17.019 50 HG2 LYS 7 HG1 LYS 7 2.565 3.523 17.309 51 HG3 LYS 7 HG2 LYS 7 3.019 4.440 15.853 52 HD2 LYS 7 HD1 LYS 7 0.824 3.327 15.654 53 HD3 LYS 7 HD2 LYS 7 1.990 2.784 14.424 54 HE2 LYS 7 HE1 LYS 7 2.417 0.731 15.734 55 HE3 LYS 7 HE2 LYS 7 1.259 1.275 16.966 56 HZ1 LYS 7 HZ1 LYS 7 0.270 -0.284 15.443 57 HZ2 LYS 7 HZ2 LYS 7 -0.460 1.187 15.301 58 HZ3 LYS 7 HZ3 LYS 7 0.616 0.683 14.155 59 H ALA 8 H ALA 8 4.379 4.501 13.260 60 HA ALA 8 HA ALA 8 2.486 3.044 11.704 61 HB1 ALA 8 HB1 ALA 8 2.694 4.937 10.138 62 HB2 ALA 8 HB2 ALA 8 2.561 5.500 11.821 63 HB3 ALA 8 HB3 ALA 8 4.143 5.497 11.005 64 H LEU 9 H LEU 9 5.916 3.924 10.943 65 HA LEU 9 HA LEU 9 6.272 2.242 8.727 66 HB2 LEU 9 HB1 LEU 9 8.093 3.418 10.800 67 HB3 LEU 9 HB2 LEU 9 8.732 2.187 9.684 68 HG LEU 9 HG LEU 9 9.248 4.466 8.979 69 HD11 LEU 9 HD11 LEU 9 8.532 4.273 6.618 70 HD12 LEU 9 HD12 LEU 9 9.041 2.705 7.280 71 HD13 LEU 9 HD13 LEU 9 7.309 3.075 7.095 72 HD21 LEU 9 HD21 LEU 9 7.520 5.995 8.098 73 HD22 LEU 9 HD22 LEU 9 6.260 4.857 8.617 74 HD23 LEU 9 HD23 LEU 9 7.287 5.664 9.827 75 H THR 10 H THR 10 6.518 1.389 12.258 76 HA THR 10 HA THR 10 7.504 -1.241 11.809 77 HB THR 10 HB THR 10 5.674 -0.739 14.112 78 HG1 THR 10 HG1 THR 10 7.408 0.189 15.267 79 HG21 THR 10 HG21 THR 10 7.357 -2.159 15.248 80 HG22 THR 10 HG22 THR 10 6.751 -2.932 13.764 81 HG23 THR 10 HG23 THR 10 8.351 -2.152 13.772 82 H THR 11 H THR 11 4.181 0.055 12.001 83 HA THR 11 HA THR 11 2.788 -2.423 11.691 84 HB THR 11 HB THR 11 1.868 0.302 10.735 85 HG1 THR 11 HG1 THR 11 0.990 0.465 12.859 86 HG21 THR 11 HG21 THR 11 -0.395 -0.561 11.276 87 HG22 THR 11 HG22 THR 11 0.413 -1.585 10.070 88 HG23 THR 11 HG23 THR 11 0.322 -2.110 11.768 89 H MET 12 H MET 12 4.211 -0.124 9.380 90 HA MET 12 HA MET 12 3.077 -1.349 7.029 91 HB2 MET 12 HB1 MET 12 3.772 1.073 7.391 92 HB3 MET 12 HB2 MET 12 5.457 0.522 7.220 93 HG2 MET 12 HG1 MET 12 4.785 -0.504 5.017 94 HG3 MET 12 HG2 MET 12 3.227 0.319 5.185 95 HE1 MET 12 HE1 MET 12 4.015 4.057 4.722 96 HE2 MET 12 HE2 MET 12 2.771 2.786 4.713 97 HE3 MET 12 HE3 MET 12 3.672 3.140 6.206 98 H VAL 13 H VAL 13 6.392 -1.548 8.536 99 HA VAL 13 HA VAL 13 7.348 -3.402 6.573 100 HB VAL 13 HB VAL 13 9.200 -3.925 8.075 101 HG11 VAL 13 HG11 VAL 13 10.242 -1.695 8.169 102 HG12 VAL 13 HG12 VAL 13 9.367 -1.949 6.646 103 HG13 VAL 13 HG13 VAL 13 8.649 -0.947 7.929 104 HG21 VAL 13 HG21 VAL 13 9.471 -2.824 10.264 105 HG22 VAL 13 HG22 VAL 13 7.849 -2.118 10.101 106 HG23 VAL 13 HG23 VAL 13 8.045 -3.882 10.229 107 H THR 14 H THR 14 5.605 -3.934 9.682 108 HA THR 14 HA THR 14 6.065 -6.762 9.719 109 HB THR 14 HB THR 14 3.785 -6.811 10.966 110 HG1 THR 14 HG1 THR 14 3.322 -4.785 11.904 111 HG21 THR 14 HG21 THR 14 4.903 -6.082 13.039 112 HG22 THR 14 HG22 THR 14 5.989 -7.058 12.025 113 HG23 THR 14 HG23 THR 14 6.165 -5.287 12.072 114 H THR 15 H THR 15 3.317 -4.803 8.454 115 HA THR 15 HA THR 15 1.979 -7.050 7.347 116 HB THR 15 HB THR 15 0.795 -5.302 5.904 117 HG1 THR 15 HG1 THR 15 0.993 -3.177 6.739 118 HG21 THR 15 HG21 THR 15 -0.570 -4.577 7.837 119 HG22 THR 15 HG22 THR 15 -0.134 -6.296 7.961 120 HG23 THR 15 HG23 THR 15 0.729 -5.085 8.938 121 H PHE 16 H PHE 16 4.514 -4.954 5.942 122 HA PHE 16 HA PHE 16 4.367 -6.137 3.325 123 HB2 PHE 16 HB1 PHE 16 5.460 -3.981 3.969 124 HB3 PHE 16 HB2 PHE 16 6.736 -4.917 4.766 125 HD1 PHE 16 HD2 PHE 16 5.198 -4.124 1.453 126 HD2 PHE 16 HD1 PHE 16 8.510 -5.930 3.530 127 HE1 PHE 16 HE2 PHE 16 6.563 -3.992 -0.618 128 HE2 PHE 16 HE1 PHE 16 9.829 -5.895 1.433 129 HZ PHE 16 HZ PHE 16 8.887 -4.878 -0.627 130 H HIS 17 H HIS 17 6.378 -6.944 6.229 131 HA HIS 17 HA HIS 17 7.624 -9.221 5.120 132 HB2 HIS 17 HB1 HIS 17 8.341 -8.064 7.176 133 HB3 HIS 17 HB2 HIS 17 6.929 -8.720 8.023 134 HD1 HIS 17 HD1 HIS 17 6.941 -11.473 8.328 135 HD2 HIS 17 HD2 HIS 17 10.459 -9.672 6.913 136 HE1 HIS 17 HE1 HIS 17 8.772 -13.244 8.483 137 HE2 HIS 17 HE2 HIS 17 10.950 -12.154 7.674 138 H LYS 18 H LYS 18 4.331 -8.898 6.346 139 HA LYS 18 HA LYS 18 3.646 -11.618 6.657 140 HB2 LYS 18 HB1 LYS 18 2.459 -9.357 7.200 141 HB3 LYS 18 HB2 LYS 18 1.756 -9.546 5.575 142 HG2 LYS 18 HG1 LYS 18 1.501 -11.862 7.421 143 HG3 LYS 18 HG2 LYS 18 0.567 -10.402 7.825 144 HD2 LYS 18 HD1 LYS 18 -0.353 -10.475 5.454 145 HD3 LYS 18 HD2 LYS 18 0.396 -12.083 5.301 146 HE2 LYS 18 HE1 LYS 18 -1.795 -12.589 5.979 147 HE3 LYS 18 HE2 LYS 18 -0.889 -12.637 7.505 148 HZ1 LYS 18 HZ1 LYS 18 -2.925 -11.403 7.719 149 HZ2 LYS 18 HZ2 LYS 18 -1.631 -10.404 7.942 150 HZ3 LYS 18 HZ3 LYS 18 -2.473 -10.360 6.523 151 H TYR 19 H TYR 19 4.506 -9.978 3.746 152 HA TYR 19 HA TYR 19 3.561 -12.281 2.133 153 HB2 TYR 19 HB1 TYR 19 3.585 -9.339 1.399 154 HB3 TYR 19 HB2 TYR 19 3.285 -10.651 0.248 155 HD1 TYR 19 HD2 TYR 19 1.940 -8.773 3.130 156 HD2 TYR 19 HD1 TYR 19 1.158 -11.901 0.276 157 HE1 TYR 19 HE2 TYR 19 -0.452 -8.770 3.785 158 HE2 TYR 19 HE1 TYR 19 -1.254 -11.868 0.894 159 HH TYR 19 HH TYR 19 -2.497 -9.714 3.491 160 H SER 20 H SER 20 6.206 -9.774 2.420 161 HA SER 20 HA SER 20 7.832 -10.903 0.360 162 HB2 SER 20 HB1 SER 20 9.675 -9.675 1.404 163 HB3 SER 20 HB2 SER 20 8.209 -8.668 1.310 164 HG SER 20 HG SER 20 9.264 -8.515 3.339 165 H GLY 21 H GLY 21 7.569 -11.690 3.847 166 HA2 GLY 21 HA2 GLY 21 9.212 -13.643 3.166 167 H ARG 22 H ARG 22 7.023 -13.841 1.958 168 HA ARG 22 HA ARG 22 6.691 -16.765 2.164 169 HB2 ARG 22 HB1 ARG 22 4.821 -14.956 1.869 170 HB3 ARG 22 HB2 ARG 22 5.342 -14.965 0.167 171 HG2 ARG 22 HG1 ARG 22 5.163 -17.551 0.317 172 HG3 ARG 22 HG2 ARG 22 4.249 -17.275 1.819 173 HD2 ARG 22 HD1 ARG 22 2.759 -17.460 -0.119 174 HD3 ARG 22 HD2 ARG 22 2.676 -15.852 0.632 175 HE ARG 22 HE ARG 22 2.943 -15.141 -1.448 176 HH11 ARG 22 HH12 ARG 22 5.580 -17.552 -1.343 177 HH12 ARG 22 HH11 ARG 22 6.072 -17.113 -2.953 178 HH21 ARG 22 HH22 ARG 22 3.532 -14.748 -3.362 179 HH22 ARG 22 HH21 ARG 22 4.922 -15.544 -4.075 180 H GLU 23 H GLU 23 8.128 -14.315 0.126 181 HA GLU 23 HA GLU 23 10.321 -14.877 -0.575 182 HB2 GLU 23 HB1 GLU 23 9.139 -17.349 -1.638 183 HB3 GLU 23 HB2 GLU 23 10.377 -16.564 -2.648 184 HG2 GLU 23 HG1 GLU 23 10.771 -17.161 0.301 185 HG3 GLU 23 HG2 GLU 23 11.217 -18.299 -0.988 186 H GLY 24 H GLY 24 11.125 -14.837 -3.094 187 HA2 GLY 24 HA2 GLY 24 11.714 -13.391 -3.943 188 H SER 25 H SER 25 12.616 -13.697 -2.052 189 HA SER 25 HA SER 25 14.019 -12.992 -0.491 190 HB2 SER 25 HB1 SER 25 15.467 -11.466 -1.130 191 HB3 SER 25 HB2 SER 25 14.374 -11.056 -2.472 192 HG SER 25 HG SER 25 14.978 -9.219 -1.224 193 H LYS 26 H LYS 26 14.021 -12.107 1.754 194 HA LYS 26 HA LYS 26 11.245 -11.739 2.452 195 HB2 LYS 26 HB1 LYS 26 11.814 -11.991 4.715 196 HB3 LYS 26 HB2 LYS 26 12.778 -13.144 3.761 197 HG2 LYS 26 HG1 LYS 26 14.761 -11.776 4.007 198 HG3 LYS 26 HG2 LYS 26 13.823 -10.489 4.803 199 HD2 LYS 26 HD1 LYS 26 14.206 -13.307 5.891 200 HD3 LYS 26 HD2 LYS 26 15.118 -11.873 6.419 201 HE2 LYS 26 HE1 LYS 26 12.882 -10.821 7.025 202 HE3 LYS 26 HE2 LYS 26 12.148 -12.415 6.747 203 HZ1 LYS 26 HZ1 LYS 26 12.680 -12.073 9.045 204 HZ2 LYS 26 HZ2 LYS 26 13.590 -13.302 8.429 205 HZ3 LYS 26 HZ3 LYS 26 14.270 -11.823 8.688 206 H LEU 27 H LEU 27 13.181 -9.418 1.267 207 HA LEU 27 HA LEU 27 11.722 -7.249 2.670 208 HB2 LEU 27 HB1 LEU 27 14.623 -7.313 1.807 209 HB3 LEU 27 HB2 LEU 27 13.763 -5.835 2.299 210 HG LEU 27 HG LEU 27 14.253 -8.265 4.059 211 HD11 LEU 27 HD11 LEU 27 15.884 -6.753 5.148 212 HD12 LEU 27 HD12 LEU 27 16.285 -6.995 3.430 213 HD13 LEU 27 HD13 LEU 27 15.506 -5.483 3.957 214 HD21 LEU 27 HD21 LEU 27 13.504 -6.817 5.923 215 HD22 LEU 27 HD22 LEU 27 13.119 -5.527 4.764 216 HD23 LEU 27 HD23 LEU 27 12.208 -7.054 4.733 217 H THR 28 H THR 28 12.084 -8.753 -0.273 218 HA THR 28 HA THR 28 10.703 -6.448 -1.545 219 HB THR 28 HB THR 28 11.493 -7.471 -3.767 220 HG1 THR 28 HG1 THR 28 13.556 -8.479 -3.569 221 HG21 THR 28 HG21 THR 28 13.640 -6.205 -3.708 222 HG22 THR 28 HG22 THR 28 12.344 -5.302 -2.893 223 HG23 THR 28 HG23 THR 28 13.562 -6.176 -1.933 224 H LEU 29 H LEU 29 9.323 -7.592 -3.567 225 HA LEU 29 HA LEU 29 8.539 -10.312 -3.144 226 HB2 LEU 29 HB1 LEU 29 6.313 -10.169 -2.420 227 HB3 LEU 29 HB2 LEU 29 7.283 -9.213 -1.274 228 HG LEU 29 HG LEU 29 5.427 -8.149 -3.422 229 HD11 LEU 29 HD11 LEU 29 4.125 -7.342 -1.459 230 HD12 LEU 29 HD12 LEU 29 4.321 -9.109 -1.414 231 HD13 LEU 29 HD13 LEU 29 5.323 -8.074 -0.367 232 HD21 LEU 29 HD21 LEU 29 5.853 -5.901 -2.469 233 HD22 LEU 29 HD22 LEU 29 7.061 -6.602 -1.373 234 HD23 LEU 29 HD23 LEU 29 7.340 -6.613 -3.131 235 H SER 30 H SER 30 6.991 -11.116 -4.819 236 HA SER 30 HA SER 30 7.298 -9.623 -7.253 237 HB2 SER 30 HB1 SER 30 5.867 -11.306 -8.308 238 HB3 SER 30 HB2 SER 30 7.195 -12.017 -7.357 239 HG SER 30 HG SER 30 5.187 -13.079 -7.015 240 H ARG 31 H ARG 31 5.782 -8.568 -8.558 241 HA ARG 31 HA ARG 31 4.504 -6.556 -7.015 242 HB2 ARG 31 HB1 ARG 31 5.844 -6.313 -9.058 243 HB3 ARG 31 HB2 ARG 31 4.546 -7.097 -9.989 244 HG2 ARG 31 HG1 ARG 31 3.406 -5.173 -10.215 245 HG3 ARG 31 HG2 ARG 31 3.621 -4.737 -8.504 246 HD2 ARG 31 HD1 ARG 31 6.114 -4.284 -9.193 247 HD3 ARG 31 HD2 ARG 31 5.474 -4.234 -10.850 248 HE ARG 31 HE ARG 31 5.129 -2.260 -8.721 249 HH11 ARG 31 HH12 ARG 31 3.686 -3.233 -11.761 250 HH12 ARG 31 HH11 ARG 31 3.261 -1.595 -12.192 251 HH21 ARG 31 HH22 ARG 31 4.755 -0.171 -9.385 252 HH22 ARG 31 HH21 ARG 31 3.860 0.122 -10.860 253 H LYS 32 H LYS 32 3.124 -9.323 -8.738 254 HA LYS 32 HA LYS 32 0.372 -8.818 -8.460 255 HB2 LYS 32 HB1 LYS 32 1.330 -10.661 -9.743 256 HB3 LYS 32 HB2 LYS 32 2.017 -11.375 -8.264 257 HG2 LYS 32 HG1 LYS 32 -0.920 -10.969 -8.199 258 HG3 LYS 32 HG2 LYS 32 -0.351 -12.144 -9.409 259 HD2 LYS 32 HD1 LYS 32 0.437 -13.613 -7.820 260 HD3 LYS 32 HD2 LYS 32 0.828 -12.320 -6.661 261 HE2 LYS 32 HE1 LYS 32 -2.066 -12.698 -7.250 262 HE3 LYS 32 HE2 LYS 32 -1.277 -14.033 -6.384 263 HZ1 LYS 32 HZ1 LYS 32 -2.188 -12.414 -4.884 264 HZ2 LYS 32 HZ2 LYS 32 -0.546 -12.453 -4.747 265 HZ3 LYS 32 HZ3 LYS 32 -1.278 -11.213 -5.552 266 H GLU 33 H GLU 33 2.718 -9.647 -5.916 267 HA GLU 33 HA GLU 33 0.637 -10.559 -4.094 268 HB2 GLU 33 HB1 GLU 33 3.168 -11.252 -4.326 269 HB3 GLU 33 HB2 GLU 33 3.429 -9.872 -3.233 270 HG2 GLU 33 HG1 GLU 33 3.202 -11.719 -1.795 271 HG3 GLU 33 HG2 GLU 33 1.611 -10.927 -1.752 272 H LEU 34 H LEU 34 2.514 -7.555 -4.577 273 HA LEU 34 HA LEU 34 1.663 -6.069 -2.366 274 HB2 LEU 34 HB1 LEU 34 3.248 -5.552 -4.416 275 HB3 LEU 34 HB2 LEU 34 1.770 -4.879 -5.144 276 HG LEU 34 HG LEU 34 1.578 -3.692 -2.756 277 HD11 LEU 34 HD11 LEU 34 3.817 -3.126 -1.879 278 HD12 LEU 34 HD12 LEU 34 3.538 -4.884 -1.851 279 HD13 LEU 34 HD13 LEU 34 4.567 -4.167 -3.115 280 HD21 LEU 34 HD21 LEU 34 2.715 -1.699 -3.660 281 HD22 LEU 34 HD22 LEU 34 3.465 -2.702 -4.923 282 HD23 LEU 34 HD23 LEU 34 1.698 -2.482 -4.891 283 H LYS 35 H LYS 35 -0.042 -6.711 -5.429 284 HA LYS 35 HA LYS 35 -2.286 -5.015 -5.136 285 HB2 LYS 35 HB1 LYS 35 -1.601 -6.059 -7.214 286 HB3 LYS 35 HB2 LYS 35 -1.820 -7.683 -6.518 287 HG2 LYS 35 HG1 LYS 35 -4.250 -6.037 -6.504 288 HG3 LYS 35 HG2 LYS 35 -3.598 -6.355 -8.130 289 HD2 LYS 35 HD1 LYS 35 -4.976 -8.153 -7.974 290 HD3 LYS 35 HD2 LYS 35 -3.550 -8.863 -7.178 291 HE2 LYS 35 HE1 LYS 35 -4.547 -8.181 -4.966 292 HE3 LYS 35 HE2 LYS 35 -6.016 -7.697 -5.840 293 HZ1 LYS 35 HZ1 LYS 35 -6.204 -9.903 -4.938 294 HZ2 LYS 35 HZ2 LYS 35 -6.240 -9.958 -6.584 295 HZ3 LYS 35 HZ3 LYS 35 -4.875 -10.407 -5.774 296 H GLU 36 H GLU 36 -1.632 -8.294 -3.954 297 HA GLU 36 HA GLU 36 -4.196 -8.788 -2.777 298 HB2 GLU 36 HB1 GLU 36 -1.902 -10.220 -3.309 299 HB3 GLU 36 HB2 GLU 36 -1.805 -10.017 -1.543 300 HG2 GLU 36 HG1 GLU 36 -2.972 -12.098 -2.059 301 HG3 GLU 36 HG2 GLU 36 -4.119 -10.943 -1.347 302 H LEU 37 H LEU 37 -1.066 -8.000 -1.213 303 HA LEU 37 HA LEU 37 -1.748 -7.560 1.374 304 HB2 LEU 37 HB1 LEU 37 0.476 -7.612 0.653 305 HB3 LEU 37 HB2 LEU 37 0.219 -6.313 -0.536 306 HG LEU 37 HG LEU 37 0.257 -4.642 1.173 307 HD11 LEU 37 HD11 LEU 37 0.726 -5.110 3.549 308 HD12 LEU 37 HD12 LEU 37 -0.826 -5.805 3.040 309 HD13 LEU 37 HD13 LEU 37 0.601 -6.852 3.223 310 HD21 LEU 37 HD21 LEU 37 2.609 -4.957 1.909 311 HD22 LEU 37 HD22 LEU 37 2.494 -6.692 1.530 312 HD23 LEU 37 HD23 LEU 37 2.385 -5.487 0.224 313 H ILE 38 H ILE 38 -1.886 -4.967 -1.131 314 HA ILE 38 HA ILE 38 -2.581 -2.945 0.772 315 HB ILE 38 HB ILE 38 -2.631 -3.023 -2.255 316 HG12 ILE 38 HG13 ILE 38 -0.750 -1.743 -0.220 317 HG13 ILE 38 HG12 ILE 38 -0.451 -3.279 -1.068 318 HG21 ILE 38 HG21 ILE 38 -2.808 -0.551 -2.212 319 HG22 ILE 38 HG22 ILE 38 -4.251 -1.314 -1.512 320 HG23 ILE 38 HG23 ILE 38 -3.018 -0.598 -0.447 321 HD11 ILE 38 HD11 ILE 38 0.776 -1.421 -2.130 322 HD12 ILE 38 HD12 ILE 38 -0.456 -2.093 -3.222 323 HD13 ILE 38 HD13 ILE 38 -0.757 -0.556 -2.377 324 H LYS 39 H LYS 39 -4.644 -5.065 -1.221 325 HA LYS 39 HA LYS 39 -7.008 -3.726 -0.040 326 HB2 LYS 39 HB1 LYS 39 -6.445 -5.392 -2.454 327 HB3 LYS 39 HB2 LYS 39 -8.074 -5.481 -1.741 328 HG2 LYS 39 HG1 LYS 39 -6.655 -3.035 -2.828 329 HG3 LYS 39 HG2 LYS 39 -8.088 -3.851 -3.499 330 HD2 LYS 39 HD1 LYS 39 -7.884 -2.090 -1.055 331 HD3 LYS 39 HD2 LYS 39 -8.899 -1.881 -2.503 332 HE2 LYS 39 HE1 LYS 39 -10.205 -3.907 -1.806 333 HE3 LYS 39 HE2 LYS 39 -9.255 -3.953 -0.304 334 HZ1 LYS 39 HZ1 LYS 39 -11.335 -2.814 -0.008 335 HZ2 LYS 39 HZ2 LYS 39 -10.080 -1.765 0.207 336 HZ3 LYS 39 HZ3 LYS 39 -10.960 -1.723 -1.187 337 H LYS 40 H LYS 40 -4.995 -6.253 0.799 338 HA LYS 40 HA LYS 40 -7.027 -8.091 1.842 339 HB2 LYS 40 HB1 LYS 40 -4.025 -7.963 1.626 340 HB3 LYS 40 HB2 LYS 40 -4.728 -8.996 2.893 341 HG2 LYS 40 HG1 LYS 40 -5.335 -9.222 -0.070 342 HG3 LYS 40 HG2 LYS 40 -4.166 -10.230 0.818 343 HD2 LYS 40 HD1 LYS 40 -7.127 -10.029 1.437 344 HD3 LYS 40 HD2 LYS 40 -6.363 -11.333 0.497 345 HE2 LYS 40 HE1 LYS 40 -5.286 -12.229 2.369 346 HE3 LYS 40 HE2 LYS 40 -5.400 -10.711 3.288 347 HZ1 LYS 40 HZ1 LYS 40 -6.950 -12.349 4.078 348 HZ2 LYS 40 HZ2 LYS 40 -7.762 -11.061 3.446 349 HZ3 LYS 40 HZ3 LYS 40 -7.657 -12.468 2.593 350 H GLU 41 H GLU 41 -4.365 -6.163 3.097 351 HA GLU 41 HA GLU 41 -5.232 -6.434 5.885 352 HB2 GLU 41 HB1 GLU 41 -2.839 -4.965 4.757 353 HB3 GLU 41 HB2 GLU 41 -3.087 -5.534 6.425 354 HG2 GLU 41 HG1 GLU 41 -2.772 -7.383 4.047 355 HG3 GLU 41 HG2 GLU 41 -1.414 -6.821 5.048 356 H LEU 42 H LEU 42 -5.966 -4.326 3.367 357 HA LEU 42 HA LEU 42 -6.811 -2.179 5.232 358 HB2 LEU 42 HB1 LEU 42 -4.697 -1.877 3.535 359 HB3 LEU 42 HB2 LEU 42 -6.036 -1.398 2.464 360 HG LEU 42 HG LEU 42 -5.510 -0.195 5.188 361 HD11 LEU 42 HD11 LEU 42 -4.571 1.747 3.961 362 HD12 LEU 42 HD12 LEU 42 -3.638 0.269 3.641 363 HD13 LEU 42 HD13 LEU 42 -4.789 0.876 2.427 364 HD21 LEU 42 HD21 LEU 42 -6.992 1.638 4.431 365 HD22 LEU 42 HD22 LEU 42 -7.255 0.782 2.898 366 HD23 LEU 42 HD23 LEU 42 -7.837 0.076 4.426 367 H CYS 43 H CYS 43 -8.979 -1.844 5.094 368 HA CYS 43 HA CYS 43 -9.989 -1.398 2.347 369 HB2 CYS 43 HB1 CYS 43 -10.911 -3.576 3.525 370 HB3 CYS 43 HB2 CYS 43 -11.900 -2.415 4.444 371 HG CYS 43 HG CYS 43 -13.309 -3.426 2.484 372 H LEU 44 H LEU 44 -10.838 0.609 2.133 373 HA LEU 44 HA LEU 44 -11.928 2.118 4.393 374 HB2 LEU 44 HB1 LEU 44 -12.178 2.392 1.380 375 HB3 LEU 44 HB2 LEU 44 -12.721 3.583 2.586 376 HG LEU 44 HG LEU 44 -10.385 3.986 3.236 377 HD11 LEU 44 HD11 LEU 44 -8.481 3.294 1.791 378 HD12 LEU 44 HD12 LEU 44 -9.249 1.894 2.561 379 HD13 LEU 44 HD13 LEU 44 -9.582 2.270 0.853 380 HD21 LEU 44 HD21 LEU 44 -9.793 5.219 1.148 381 HD22 LEU 44 HD22 LEU 44 -10.937 4.209 0.234 382 HD23 LEU 44 HD23 LEU 44 -11.536 5.329 1.481 383 H GLY 45 H GLY 45 -14.003 1.772 1.670 384 HA2 GLY 45 HA2 GLY 45 -15.601 1.082 1.310 385 H GLU 46 H GLU 46 -15.564 2.561 3.476 386 HA GLU 46 HA GLU 46 -18.485 3.082 3.375 387 HB2 GLU 46 HB1 GLU 46 -18.355 3.970 5.582 388 HB3 GLU 46 HB2 GLU 46 -17.579 2.369 5.607 389 HG2 GLU 46 HG1 GLU 46 -16.133 5.032 5.551 390 HG3 GLU 46 HG2 GLU 46 -16.405 4.031 6.994 391 H MET 47 H MET 47 -15.186 4.378 3.182 392 HA MET 47 HA MET 47 -16.113 7.006 2.256 393 HB2 MET 47 HB1 MET 47 -13.336 5.823 2.601 394 HB3 MET 47 HB2 MET 47 -13.704 7.511 2.169 395 HG2 MET 47 HG1 MET 47 -14.809 7.833 4.338 396 HG3 MET 47 HG2 MET 47 -14.482 6.147 4.769 397 HE1 MET 47 HE1 MET 47 -10.634 6.001 4.945 398 HE2 MET 47 HE2 MET 47 -12.173 5.125 5.143 399 HE3 MET 47 HE3 MET 47 -11.669 5.683 3.531 400 H LYS 48 H LYS 48 -14.516 7.739 0.359 401 HA LYS 48 HA LYS 48 -15.190 6.507 -2.074 402 HB2 LYS 48 HB1 LYS 48 -13.201 8.522 -1.092 403 HB3 LYS 48 HB2 LYS 48 -12.963 7.856 -2.726 404 HG2 LYS 48 HG1 LYS 48 -14.163 9.733 -3.199 405 HG3 LYS 48 HG2 LYS 48 -15.467 8.532 -3.050 406 HD2 LYS 48 HD1 LYS 48 -16.064 10.652 -2.016 407 HD3 LYS 48 HD2 LYS 48 -15.996 9.328 -0.828 408 HE2 LYS 48 HE1 LYS 48 -15.135 11.313 0.189 409 HE3 LYS 48 HE2 LYS 48 -13.789 10.183 -0.069 410 HZ1 LYS 48 HZ1 LYS 48 -13.178 12.428 -0.598 411 HZ2 LYS 48 HZ2 LYS 48 -13.135 11.489 -1.950 412 HZ3 LYS 48 HZ3 LYS 48 -14.385 12.539 -1.710 413 H GLU 49 H GLU 49 -14.662 4.276 -2.371 414 HA GLU 49 HA GLU 49 -11.781 4.073 -3.123 415 HB2 GLU 49 HB1 GLU 49 -13.800 1.846 -2.700 416 HB3 GLU 49 HB2 GLU 49 -12.234 1.621 -3.517 417 HG2 GLU 49 HG1 GLU 49 -11.187 2.627 -1.388 418 HG3 GLU 49 HG2 GLU 49 -12.773 2.362 -0.630 419 H SER 50 H SER 50 -11.334 3.858 -5.258 420 HA SER 50 HA SER 50 -12.810 3.152 -7.488 421 HB2 SER 50 HB1 SER 50 -13.140 6.066 -6.748 422 HB3 SER 50 HB2 SER 50 -13.117 5.546 -8.451 423 HG SER 50 HG SER 50 -15.236 5.629 -7.573 424 H SER 51 H SER 51 -10.729 5.880 -6.376 425 HA SER 51 HA SER 51 -8.793 5.790 -8.447 426 HB2 SER 51 HB1 SER 51 -8.055 6.680 -5.681 427 HB3 SER 51 HB2 SER 51 -7.753 7.463 -7.251 428 HG SER 51 HG SER 51 -9.313 8.586 -5.982 429 H ILE 52 H ILE 52 -9.331 3.281 -6.385 430 HA ILE 52 HA ILE 52 -6.580 2.378 -6.158 431 HB ILE 52 HB ILE 52 -7.575 0.188 -5.618 432 HG12 ILE 52 HG13 ILE 52 -10.201 0.507 -4.998 433 HG13 ILE 52 HG12 ILE 52 -10.112 1.419 -6.524 434 HG21 ILE 52 HG21 ILE 52 -8.559 0.859 -3.447 435 HG22 ILE 52 HG22 ILE 52 -7.145 1.852 -3.860 436 HG23 ILE 52 HG23 ILE 52 -8.787 2.508 -4.069 437 HD11 ILE 52 HD11 ILE 52 -10.731 -0.946 -6.933 438 HD12 ILE 52 HD12 ILE 52 -9.154 -0.558 -7.652 439 HD13 ILE 52 HD13 ILE 52 -9.238 -1.471 -6.125 440 H ASP 53 H ASP 53 -8.977 2.409 -8.746 441 HA ASP 53 HA ASP 53 -8.208 -0.169 -9.824 442 HB2 ASP 53 HB1 ASP 53 -10.514 0.781 -9.777 443 HB3 ASP 53 HB2 ASP 53 -10.004 1.986 -10.978 444 H ASP 54 H ASP 54 -7.590 3.230 -10.827 445 HA ASP 54 HA ASP 54 -5.888 2.779 -13.027 446 HB2 ASP 54 HB1 ASP 54 -6.667 4.989 -12.152 447 HB3 ASP 54 HB2 ASP 54 -5.587 4.794 -10.755 448 H LEU 55 H LEU 55 -5.132 2.790 -9.534 449 HA LEU 55 HA LEU 55 -2.308 2.399 -9.879 450 HB2 LEU 55 HB1 LEU 55 -4.058 2.070 -7.425 451 HB3 LEU 55 HB2 LEU 55 -2.291 2.279 -7.453 452 HG LEU 55 HG LEU 55 -4.369 4.344 -8.260 453 HD11 LEU 55 HD11 LEU 55 -3.546 5.541 -6.244 454 HD12 LEU 55 HD12 LEU 55 -4.193 3.939 -5.818 455 HD13 LEU 55 HD13 LEU 55 -2.434 4.194 -5.901 456 HD21 LEU 55 HD21 LEU 55 -2.466 5.924 -8.454 457 HD22 LEU 55 HD22 LEU 55 -1.334 4.594 -8.126 458 HD23 LEU 55 HD23 LEU 55 -2.312 4.586 -9.613 459 H MET 56 H MET 56 -4.986 0.184 -8.955 460 HA MET 56 HA MET 56 -3.658 -2.273 -8.796 461 HB2 MET 56 HB1 MET 56 -6.376 -1.462 -9.882 462 HB3 MET 56 HB2 MET 56 -5.865 -3.163 -9.777 463 HG2 MET 56 HG1 MET 56 -5.857 -1.366 -7.363 464 HG3 MET 56 HG2 MET 56 -7.339 -2.170 -7.910 465 HE1 MET 56 HE1 MET 56 -4.263 -3.728 -5.137 466 HE2 MET 56 HE2 MET 56 -3.847 -2.464 -6.322 467 HE3 MET 56 HE3 MET 56 -5.213 -2.222 -5.207 468 H LYS 57 H LYS 57 -4.959 -0.628 -11.752 469 HA LYS 57 HA LYS 57 -3.997 -2.626 -13.571 470 HB2 LYS 57 HB1 LYS 57 -5.889 -1.132 -13.976 471 HB3 LYS 57 HB2 LYS 57 -4.804 0.279 -13.936 472 HG2 LYS 57 HG1 LYS 57 -5.495 -0.417 -16.227 473 HG3 LYS 57 HG2 LYS 57 -3.733 -0.397 -15.971 474 HD2 LYS 57 HD1 LYS 57 -4.299 -2.363 -17.237 475 HD3 LYS 57 HD2 LYS 57 -3.811 -2.864 -15.601 476 HE2 LYS 57 HE1 LYS 57 -6.721 -2.408 -15.966 477 HE3 LYS 57 HE2 LYS 57 -6.047 -3.760 -16.902 478 HZ1 LYS 57 HZ1 LYS 57 -6.826 -4.465 -14.757 479 HZ2 LYS 57 HZ2 LYS 57 -5.195 -4.664 -14.862 480 HZ3 LYS 57 HZ3 LYS 57 -5.820 -3.410 -13.993 481 H SER 58 H SER 58 -2.504 0.224 -12.194 482 HA SER 58 HA SER 58 -0.157 0.209 -13.824 483 HB2 SER 58 HB1 SER 58 -1.130 2.083 -12.318 484 HB3 SER 58 HB2 SER 58 -0.206 1.288 -11.019 485 HG SER 58 HG SER 58 1.018 2.889 -12.130 486 H LEU 59 H LEU 59 -0.854 -1.386 -10.636 487 HA LEU 59 HA LEU 59 1.631 -2.726 -10.393 488 HB2 LEU 59 HB1 LEU 59 -1.130 -3.641 -9.534 489 HB3 LEU 59 HB2 LEU 59 0.397 -4.422 -9.063 490 HG LEU 59 HG LEU 59 -0.566 -1.652 -8.324 491 HD11 LEU 59 HD11 LEU 59 -0.513 -2.562 -6.022 492 HD12 LEU 59 HD12 LEU 59 -1.587 -3.514 -7.072 493 HD13 LEU 59 HD13 LEU 59 0.031 -4.132 -6.657 494 HD21 LEU 59 HD21 LEU 59 1.500 -1.407 -6.986 495 HD22 LEU 59 HD22 LEU 59 2.093 -2.954 -7.627 496 HD23 LEU 59 HD23 LEU 59 1.861 -1.566 -8.717 497 H ASP 60 H ASP 60 -1.406 -3.787 -11.883 498 HA ASP 60 HA ASP 60 -0.938 -6.326 -12.736 499 HB2 ASP 60 HB1 ASP 60 -3.023 -5.001 -12.915 500 HB3 ASP 60 HB2 ASP 60 -2.318 -4.106 -14.279 501 H LYS 61 H LYS 61 0.033 -3.387 -14.513 502 HA LYS 61 HA LYS 61 1.077 -4.439 -16.834 503 HB2 LYS 61 HB1 LYS 61 0.634 -2.080 -16.257 504 HB3 LYS 61 HB2 LYS 61 2.043 -2.086 -15.170 505 HG2 LYS 61 HG1 LYS 61 2.523 -0.957 -17.294 506 HG3 LYS 61 HG2 LYS 61 3.540 -2.399 -17.064 507 HD2 LYS 61 HD1 LYS 61 2.822 -2.302 -19.367 508 HD3 LYS 61 HD2 LYS 61 2.016 -3.670 -18.563 509 HE2 LYS 61 HE1 LYS 61 0.395 -2.602 -19.969 510 HE3 LYS 61 HE2 LYS 61 -0.017 -2.208 -18.286 511 HZ1 LYS 61 HZ1 LYS 61 -0.158 -0.290 -19.707 512 HZ2 LYS 61 HZ2 LYS 61 1.039 -0.081 -18.592 513 HZ3 LYS 61 HZ3 LYS 61 1.421 -0.446 -20.154 514 H ASN 62 H ASN 62 2.634 -4.774 -13.670 515 HA ASN 62 HA ASN 62 4.963 -6.014 -15.025 516 HB2 ASN 62 HB1 ASN 62 5.079 -3.922 -12.832 517 HB3 ASN 62 HB2 ASN 62 6.467 -4.896 -13.364 518 HD21 ASN 62 HD21 ASN 62 4.841 -1.987 -13.775 519 HD22 ASN 62 HD22 ASN 62 5.499 -1.521 -15.333 520 H SER 63 H SER 63 2.553 -6.919 -13.373 521 HA SER 63 HA SER 63 2.775 -7.678 -10.850 522 HB2 SER 63 HB1 SER 63 1.798 -9.481 -13.096 523 HB3 SER 63 HB2 SER 63 1.321 -9.595 -11.385 524 HG SER 63 HG SER 63 -0.216 -8.484 -12.664 525 H ASP 64 H ASP 64 4.854 -9.326 -13.223 526 HA ASP 64 HA ASP 64 5.080 -11.771 -11.591 527 HB2 ASP 64 HB1 ASP 64 4.989 -11.756 -14.076 528 HB3 ASP 64 HB2 ASP 64 6.468 -10.771 -14.117 529 H GLN 65 H GLN 65 6.573 -8.722 -11.895 530 HA GLN 65 HA GLN 65 9.343 -9.523 -11.479 531 HB2 GLN 65 HB1 GLN 65 7.900 -6.855 -11.747 532 HB3 GLN 65 HB2 GLN 65 9.669 -7.064 -11.735 533 HG2 GLN 65 HG1 GLN 65 9.651 -8.154 -13.857 534 HG3 GLN 65 HG2 GLN 65 7.886 -8.361 -13.820 535 HE21 GLN 65 HE12 GLN 65 7.428 -7.166 -15.748 536 HE22 GLN 65 HE22 GLN 65 7.680 -5.440 -15.851 537 H GLU 66 H GLU 66 10.688 -8.468 -9.795 538 HA GLU 66 HA GLU 66 9.263 -8.419 -7.246 539 HB2 GLU 66 HB1 GLU 66 12.214 -8.173 -7.907 540 HB3 GLU 66 HB2 GLU 66 11.537 -8.232 -6.261 541 HG2 GLU 66 HG1 GLU 66 10.675 -10.469 -6.628 542 HG3 GLU 66 HG2 GLU 66 11.107 -10.406 -8.351 543 H ILE 67 H ILE 67 8.907 -6.743 -5.929 544 HA ILE 67 HA ILE 67 10.134 -4.120 -6.525 545 HB ILE 67 HB ILE 67 7.918 -3.296 -5.260 546 HG12 ILE 67 HG13 ILE 67 6.798 -5.491 -7.003 547 HG13 ILE 67 HG12 ILE 67 6.883 -5.559 -5.226 548 HG21 ILE 67 HG21 ILE 67 7.153 -2.536 -7.462 549 HG22 ILE 67 HG22 ILE 67 8.919 -2.404 -7.293 550 HG23 ILE 67 HG23 ILE 67 8.212 -3.734 -8.242 551 HD11 ILE 67 HD11 ILE 67 4.654 -4.791 -5.982 552 HD12 ILE 67 HD12 ILE 67 5.502 -3.515 -5.080 553 HD13 ILE 67 HD13 ILE 67 5.417 -3.444 -6.856 554 H ASP 68 H ASP 68 10.262 -2.669 -4.790 555 HA ASP 68 HA ASP 68 10.829 -3.937 -2.198 556 HB2 ASP 68 HB1 ASP 68 12.422 -2.262 -1.851 557 HB3 ASP 68 HB2 ASP 68 12.562 -2.647 -3.580 558 H PHE 69 H PHE 69 10.800 -2.241 -0.426 559 HA PHE 69 HA PHE 69 8.156 -1.705 0.402 560 HB2 PHE 69 HB1 PHE 69 10.329 -2.243 1.640 561 HB3 PHE 69 HB2 PHE 69 10.770 -0.542 1.416 562 HD1 PHE 69 HD2 PHE 69 7.735 -2.432 2.606 563 HD2 PHE 69 HD1 PHE 69 10.629 0.652 3.391 564 HE1 PHE 69 HE2 PHE 69 6.564 -1.873 4.723 565 HE2 PHE 69 HE1 PHE 69 9.404 1.273 5.464 566 HZ PHE 69 HZ PHE 69 7.345 0.042 6.104 567 H LYS 70 H LYS 70 9.666 0.090 -2.032 568 HA LYS 70 HA LYS 70 9.073 2.763 -0.849 569 HB2 LYS 70 HB1 LYS 70 11.405 1.886 -1.626 570 HB3 LYS 70 HB2 LYS 70 10.780 2.204 -3.263 571 HG2 LYS 70 HG1 LYS 70 10.435 4.577 -2.654 572 HG3 LYS 70 HG2 LYS 70 11.100 4.249 -1.037 573 HD2 LYS 70 HD1 LYS 70 12.567 3.866 -3.684 574 HD3 LYS 70 HD2 LYS 70 12.829 5.198 -2.532 575 HE2 LYS 70 HE1 LYS 70 13.491 3.505 -0.804 576 HE3 LYS 70 HE2 LYS 70 13.344 2.237 -2.038 577 HZ1 LYS 70 HZ1 LYS 70 15.605 2.949 -1.759 578 HZ2 LYS 70 HZ2 LYS 70 15.075 3.327 -3.270 579 HZ3 LYS 70 HZ3 LYS 70 15.209 4.504 -2.124 580 H GLU 71 H GLU 71 9.041 1.115 -4.076 581 HA GLU 71 HA GLU 71 6.914 2.308 -5.349 582 HB2 GLU 71 HB1 GLU 71 7.941 -0.460 -4.999 583 HB3 GLU 71 HB2 GLU 71 6.236 -0.365 -5.495 584 HG2 GLU 71 HG1 GLU 71 8.050 1.457 -6.956 585 HG3 GLU 71 HG2 GLU 71 8.378 -0.270 -7.208 586 H TYR 72 H TYR 72 6.740 -0.034 -2.659 587 HA TYR 72 HA TYR 72 3.928 -0.116 -2.379 588 HB2 TYR 72 HB1 TYR 72 5.425 -1.795 -1.568 589 HB3 TYR 72 HB2 TYR 72 6.283 -0.624 -0.551 590 HD1 TYR 72 HD2 TYR 72 2.603 -1.434 -0.930 591 HD2 TYR 72 HD1 TYR 72 5.987 -1.011 1.691 592 HE1 TYR 72 HE2 TYR 72 1.267 -2.399 0.934 593 HE2 TYR 72 HE1 TYR 72 4.646 -1.936 3.569 594 HH TYR 72 HH TYR 72 1.307 -3.118 3.106 595 H SER 73 H SER 73 6.303 1.886 -0.500 596 HA SER 73 HA SER 73 4.276 3.217 1.013 597 HB2 SER 73 HB1 SER 73 6.676 2.977 1.629 598 HB3 SER 73 HB2 SER 73 7.077 4.172 0.373 599 HG SER 73 HG SER 73 6.827 5.114 2.448 600 H VAL 74 H VAL 74 5.889 4.249 -2.110 601 HA VAL 74 HA VAL 74 4.416 6.696 -2.127 602 HB VAL 74 HB VAL 74 4.811 6.954 -4.445 603 HG11 VAL 74 HG11 VAL 74 7.261 7.087 -4.409 604 HG12 VAL 74 HG12 VAL 74 6.540 7.589 -2.866 605 HG13 VAL 74 HG13 VAL 74 7.291 5.982 -3.020 606 HG21 VAL 74 HG21 VAL 74 6.108 5.443 -5.875 607 HG22 VAL 74 HG22 VAL 74 6.094 4.233 -4.582 608 HG23 VAL 74 HG23 VAL 74 4.571 4.732 -5.356 609 H PHE 75 H PHE 75 3.581 3.405 -3.282 610 HA PHE 75 HA PHE 75 1.210 4.149 -4.690 611 HB2 PHE 75 HB1 PHE 75 2.583 2.021 -4.791 612 HB3 PHE 75 HB2 PHE 75 1.833 1.555 -3.255 613 HD1 PHE 75 HD2 PHE 75 -0.788 1.418 -3.220 614 HD2 PHE 75 HD1 PHE 75 1.566 1.576 -6.818 615 HE1 PHE 75 HE2 PHE 75 -2.553 0.143 -4.421 616 HE2 PHE 75 HE1 PHE 75 -0.266 0.455 -8.051 617 HZ PHE 75 HZ PHE 75 -2.265 -0.385 -6.836 618 H LEU 76 H LEU 76 1.677 2.957 -1.310 619 HA LEU 76 HA LEU 76 -1.000 3.203 -0.438 620 HB2 LEU 76 HB1 LEU 76 1.669 3.466 0.970 621 HB3 LEU 76 HB2 LEU 76 0.115 3.525 1.835 622 HG LEU 76 HG LEU 76 1.106 1.167 0.197 623 HD11 LEU 76 HD11 LEU 76 1.538 0.128 2.408 624 HD12 LEU 76 HD12 LEU 76 2.504 1.608 2.195 625 HD13 LEU 76 HD13 LEU 76 1.045 1.636 3.214 626 HD21 LEU 76 HD21 LEU 76 -0.716 -0.085 1.314 627 HD22 LEU 76 HD22 LEU 76 -1.243 1.409 2.123 628 HD23 LEU 76 HD23 LEU 76 -1.357 1.268 0.352 629 H THR 77 H THR 77 1.606 5.643 -0.628 630 HA THR 77 HA THR 77 0.143 7.785 0.594 631 HB THR 77 HB THR 77 2.553 7.799 -1.246 632 HG1 THR 77 HG1 THR 77 3.608 8.094 0.778 633 HG21 THR 77 HG21 THR 77 2.988 10.060 -0.310 634 HG22 THR 77 HG22 THR 77 1.441 10.019 -1.185 635 HG23 THR 77 HG23 THR 77 1.460 9.973 0.594 636 H MET 78 H MET 78 0.727 6.979 -2.891 637 HA MET 78 HA MET 78 -0.648 9.130 -4.042 638 HB2 MET 78 HB1 MET 78 -0.294 6.261 -4.998 639 HB3 MET 78 HB2 MET 78 -0.955 7.567 -6.010 640 HG2 MET 78 HG1 MET 78 1.438 8.562 -4.892 641 HG3 MET 78 HG2 MET 78 1.793 6.906 -5.413 642 HE1 MET 78 HE1 MET 78 0.887 6.961 -9.172 643 HE2 MET 78 HE2 MET 78 1.499 6.001 -7.801 644 HE3 MET 78 HE3 MET 78 -0.191 6.561 -7.809 645 H LEU 79 H LEU 79 -1.896 5.927 -3.002 646 HA LEU 79 HA LEU 79 -4.542 6.286 -3.907 647 HB2 LEU 79 HB1 LEU 79 -3.545 4.166 -3.148 648 HB3 LEU 79 HB2 LEU 79 -3.619 4.757 -1.471 649 HG LEU 79 HG LEU 79 -5.424 3.134 -2.376 650 HD11 LEU 79 HD11 LEU 79 -7.118 4.075 -0.846 651 HD12 LEU 79 HD12 LEU 79 -5.485 4.168 -0.157 652 HD13 LEU 79 HD13 LEU 79 -6.245 5.622 -0.847 653 HD21 LEU 79 HD21 LEU 79 -7.470 4.181 -3.294 654 HD22 LEU 79 HD22 LEU 79 -6.621 5.736 -3.384 655 HD23 LEU 79 HD23 LEU 79 -6.087 4.368 -4.390 656 H CYS 80 H CYS 80 -3.233 7.120 -0.606 657 HA CYS 80 HA CYS 80 -5.552 8.343 0.392 658 HB2 CYS 80 HB1 CYS 80 -3.384 7.772 1.587 659 HB3 CYS 80 HB2 CYS 80 -2.693 9.260 0.894 660 HG CYS 80 HG CYS 80 -3.361 9.675 3.393 661 H MET 81 H MET 81 -2.946 9.871 -1.554 662 HA MET 81 HA MET 81 -4.056 12.493 -1.581 663 HB2 MET 81 HB1 MET 81 -2.215 11.164 -3.601 664 HB3 MET 81 HB2 MET 81 -2.494 12.913 -3.426 665 HG2 MET 81 HG1 MET 81 -1.189 11.081 -1.400 666 HG3 MET 81 HG2 MET 81 -0.359 12.228 -2.465 667 HE1 MET 81 HE1 MET 81 -1.272 15.698 -0.982 668 HE2 MET 81 HE2 MET 81 -0.273 14.800 -2.148 669 HE3 MET 81 HE3 MET 81 -2.042 14.847 -2.340 670 H ALA 82 H ALA 82 -4.886 9.634 -3.423 671 HA ALA 82 HA ALA 82 -6.194 11.173 -5.530 672 HB1 ALA 82 HB1 ALA 82 -6.509 8.969 -6.581 673 HB2 ALA 82 HB2 ALA 82 -4.817 9.232 -6.094 674 HB3 ALA 82 HB3 ALA 82 -5.872 8.182 -5.117 675 H TYR 83 H TYR 83 -7.290 10.519 -2.449 676 HA TYR 83 HA TYR 83 -9.997 10.919 -3.466 677 HB2 TYR 83 HB1 TYR 83 -11.063 9.074 -2.537 678 HB3 TYR 83 HB2 TYR 83 -9.552 8.386 -3.156 679 HD1 TYR 83 HD1 TYR 83 -11.463 9.250 -0.092 680 HD2 TYR 83 HD2 TYR 83 -7.878 7.475 -1.660 681 HE1 TYR 83 HE1 TYR 83 -10.860 8.484 2.184 682 HE2 TYR 83 HE2 TYR 83 -7.199 6.809 0.631 683 HH TYR 83 HH TYR 83 -7.726 6.835 2.853 684 H ASN 84 H ASN 84 -7.789 11.512 -0.779 685 HA ASN 84 HA ASN 84 -9.965 11.261 1.155 686 HB2 ASN 84 HB1 ASN 84 -7.854 10.193 1.609 687 HB3 ASN 84 HB2 ASN 84 -6.996 11.746 1.490 688 HD21 ASN 84 HD21 ASN 84 -6.157 11.351 3.625 689 HD22 ASN 84 HD22 ASN 84 -7.150 11.656 5.035 690 H ASP 85 H ASP 85 -11.246 12.780 1.818 691 HA ASP 85 HA ASP 85 -10.795 15.597 1.314 692 HB2 ASP 85 HB1 ASP 85 -12.914 14.541 3.183 693 HB3 ASP 85 HB2 ASP 85 -13.011 15.866 2.002 694 H PHE 86 H PHE 86 -10.063 13.478 4.016 695 HA PHE 86 HA PHE 86 -10.735 15.344 6.104 696 HB2 PHE 86 HB1 PHE 86 -10.686 12.697 5.971 697 HB3 PHE 86 HB2 PHE 86 -9.037 12.920 6.577 698 HD1 PHE 86 HD1 PHE 86 -12.634 13.426 7.315 699 HD2 PHE 86 HD2 PHE 86 -8.626 13.614 8.885 700 HE1 PHE 86 HE1 PHE 86 -13.545 13.636 9.615 701 HE2 PHE 86 HE2 PHE 86 -9.542 13.844 11.181 702 HZ PHE 86 HZ PHE 86 -11.998 13.852 11.550 703 H PHE 87 H PHE 87 -7.985 15.226 4.136 704 HA PHE 87 HA PHE 87 -6.478 16.830 6.125 705 HB2 PHE 87 HB1 PHE 87 -4.444 16.000 5.387 706 HB3 PHE 87 HB2 PHE 87 -5.505 14.584 5.474 707 HD1 PHE 87 HD2 PHE 87 -6.745 14.034 3.102 708 HD2 PHE 87 HD1 PHE 87 -3.040 16.162 3.587 709 HE1 PHE 87 HE2 PHE 87 -6.122 13.497 0.761 710 HE2 PHE 87 HE1 PHE 87 -2.393 15.570 1.269 711 HZ PHE 87 HZ PHE 87 -3.967 14.296 -0.171 712 H LEU 88 H LEU 88 -8.375 17.278 3.511 713 HA LEU 88 HA LEU 88 -6.898 19.622 2.493 714 HB2 LEU 88 HB1 LEU 88 -9.186 17.922 1.612 715 HB3 LEU 88 HB2 LEU 88 -9.173 19.625 1.095 716 HG LEU 88 HG LEU 88 -8.183 18.058 -0.544 717 HD11 LEU 88 HD11 LEU 88 -6.194 19.438 -1.059 718 HD12 LEU 88 HD12 LEU 88 -7.565 20.436 -0.531 719 HD13 LEU 88 HD13 LEU 88 -6.228 20.090 0.592 720 HD21 LEU 88 HD21 LEU 88 -5.923 17.114 -0.230 721 HD22 LEU 88 HD22 LEU 88 -5.929 17.687 1.449 722 HD23 LEU 88 HD23 LEU 88 -7.086 16.439 0.928 723 H GLU 89 H GLU 89 -9.969 20.614 2.269 724 HA GLU 89 HA GLU 89 -10.295 21.763 4.960 725 HB2 GLU 89 HB1 GLU 89 -9.643 23.360 2.447 726 HB3 GLU 89 HB2 GLU 89 -10.440 24.086 3.862 727 HG2 GLU 89 HG1 GLU 89 -8.464 23.453 5.237 728 HG3 GLU 89 HG2 GLU 89 -7.669 22.865 3.761 729 H ASP 90 H ASP 90 -11.885 20.640 2.037 730 HA ASP 90 HA ASP 90 -13.957 22.003 1.247 731 HB2 ASP 90 HB1 ASP 90 -13.492 24.059 2.323 732 HB3 ASP 90 HB2 ASP 90 -11.831 24.105 1.693 733 H ASN 91 H ASN 91 -13.720 22.833 -1.213 734 HA ASN 91 HA ASN 91 -12.426 20.586 -2.488 735 HB2 ASN 91 HB1 ASN 91 -14.250 22.809 -3.406 736 HB3 ASN 91 HB2 ASN 91 -13.505 21.688 -4.566 737 HD21 ASN 91 HD21 ASN 91 -15.066 21.244 -1.323 738 HD22 ASN 91 HD22 ASN 91 -16.194 20.014 -1.873 739 H LYS 92 H LYS 92 -10.234 21.120 -2.021 740 HA LYS 92 HA LYS 92 -8.908 22.436 -4.300 741 HB2 LYS 92 HB1 LYS 92 -8.244 22.860 -1.370 742 HB3 LYS 92 HB2 LYS 92 -7.086 23.175 -2.684 743 HG2 LYS 92 HG1 LYS 92 -7.913 25.263 -2.573 744 HG3 LYS 92 HG2 LYS 92 -9.212 24.584 -3.582 745 HD2 LYS 92 HD1 LYS 92 -10.139 25.984 -1.820 746 HD3 LYS 92 HD2 LYS 92 -10.605 24.285 -1.568 747 HE2 LYS 92 HE1 LYS 92 -9.132 24.016 0.245 748 HE3 LYS 92 HE2 LYS 92 -8.155 25.427 -0.217 749 HZ1 LYS 92 HZ1 LYS 92 -9.535 25.881 1.676 750 HZ2 LYS 92 HZ2 LYS 92 -9.993 26.821 0.402 751 HZ3 LYS 92 HZ3 LYS 92 -10.900 25.511 0.831 752 HA MET 1 HA MET 1 -13.911 1.144 8.185 753 HB2 MET 1 HB1 MET 1 -12.912 -0.788 6.405 754 HB3 MET 1 HB2 MET 1 -12.946 -1.581 7.998 755 HG2 MET 1 HG1 MET 1 -15.311 -0.607 8.246 756 HG3 MET 1 HG2 MET 1 -15.225 -0.238 6.516 757 HE1 MET 1 HE1 MET 1 -15.578 -4.394 8.506 758 HE2 MET 1 HE2 MET 1 -14.243 -3.286 8.896 759 HE3 MET 1 HE3 MET 1 -15.924 -2.818 9.254 760 H GLU 2 H GLU 2 -10.859 1.520 9.311 761 HA GLU 2 HA GLU 2 -9.769 1.180 11.245 762 HB2 GLU 2 HB1 GLU 2 -12.075 1.302 12.337 763 HB3 GLU 2 HB2 GLU 2 -11.960 -0.470 12.462 764 HG2 GLU 2 HG1 GLU 2 -11.183 0.471 14.535 765 HG3 GLU 2 HG2 GLU 2 -9.775 -0.177 13.665 766 H THR 3 H THR 3 -9.291 -0.271 9.065 767 HA THR 3 HA THR 3 -8.673 -3.047 9.811 768 HB THR 3 HB THR 3 -7.881 -3.230 7.481 769 HG1 THR 3 HG1 THR 3 -8.381 -1.506 6.058 770 HG21 THR 3 HG21 THR 3 -10.110 -3.033 6.411 771 HG22 THR 3 HG22 THR 3 -10.236 -3.724 8.044 772 HG23 THR 3 HG23 THR 3 -10.662 -2.018 7.761 773 HA PRO 4 HA PRO 4 -4.920 -2.320 11.507 774 HB2 PRO 4 HB1 PRO 4 -3.117 -4.229 10.603 775 HB3 PRO 4 HB2 PRO 4 -4.476 -4.537 11.733 776 HG2 PRO 4 HG1 PRO 4 -4.424 -4.946 8.740 777 HG3 PRO 4 HG2 PRO 4 -5.017 -6.080 9.998 778 HD2 PRO 4 HD1 PRO 4 -6.741 -4.506 8.622 779 HD3 PRO 4 HD2 PRO 4 -6.957 -4.737 10.382 780 H LEU 5 H LEU 5 -4.334 -2.642 7.957 781 HA LEU 5 HA LEU 5 -1.830 -1.199 8.119 782 HB2 LEU 5 HB1 LEU 5 -2.792 -2.972 6.400 783 HB3 LEU 5 HB2 LEU 5 -3.345 -1.504 5.557 784 HG LEU 5 HG LEU 5 -0.513 -1.541 6.500 785 HD11 LEU 5 HD11 LEU 5 0.196 -2.900 4.550 786 HD12 LEU 5 HD12 LEU 5 -0.858 -3.836 5.636 787 HD13 LEU 5 HD13 LEU 5 -1.510 -3.170 4.119 788 HD21 LEU 5 HD21 LEU 5 -0.063 -0.450 4.328 789 HD22 LEU 5 HD22 LEU 5 -1.761 -0.687 3.863 790 HD23 LEU 5 HD23 LEU 5 -1.347 0.389 5.219 791 H GLU 6 H GLU 6 -5.151 -0.292 7.383 792 HA GLU 6 HA GLU 6 -4.971 2.337 6.460 793 HB2 GLU 6 HB1 GLU 6 -6.959 0.903 6.728 794 HB3 GLU 6 HB2 GLU 6 -6.827 1.071 8.495 795 HG2 GLU 6 HG1 GLU 6 -7.430 3.474 8.245 796 HG3 GLU 6 HG2 GLU 6 -7.712 3.175 6.516 797 H LYS 7 H LYS 7 -4.474 1.063 9.774 798 HA LYS 7 HA LYS 7 -4.465 3.669 10.991 799 HB2 LYS 7 HB1 LYS 7 -3.316 1.140 12.166 800 HB3 LYS 7 HB2 LYS 7 -3.902 2.587 13.021 801 HG2 LYS 7 HG1 LYS 7 -5.433 0.341 11.773 802 HG3 LYS 7 HG2 LYS 7 -5.564 1.048 13.402 803 HD2 LYS 7 HD1 LYS 7 -6.635 2.207 10.815 804 HD3 LYS 7 HD2 LYS 7 -7.573 1.499 12.152 805 HE2 LYS 7 HE1 LYS 7 -6.633 3.333 13.639 806 HE3 LYS 7 HE2 LYS 7 -5.981 4.088 12.168 807 HZ1 LYS 7 HZ1 LYS 7 -8.109 4.989 12.760 808 HZ2 LYS 7 HZ2 LYS 7 -8.210 4.202 11.314 809 HZ3 LYS 7 HZ3 LYS 7 -8.816 3.502 12.679 810 H ALA 8 H ALA 8 -1.917 1.725 9.479 811 HA ALA 8 HA ALA 8 0.323 3.195 10.453 812 HB1 ALA 8 HB1 ALA 8 1.471 2.341 8.439 813 HB2 ALA 8 HB2 ALA 8 0.534 1.057 9.242 814 HB3 ALA 8 HB3 ALA 8 -0.094 1.824 7.764 815 H LEU 9 H LEU 9 -1.475 3.604 7.322 816 HA LEU 9 HA LEU 9 -0.426 6.119 6.649 817 HB2 LEU 9 HB1 LEU 9 -3.062 4.781 6.052 818 HB3 LEU 9 HB2 LEU 9 -2.688 6.412 5.446 819 HG LEU 9 HG LEU 9 -2.314 4.811 3.716 820 HD11 LEU 9 HD11 LEU 9 0.038 5.277 3.122 821 HD12 LEU 9 HD12 LEU 9 -0.766 6.711 3.795 822 HD13 LEU 9 HD13 LEU 9 0.359 5.767 4.799 823 HD21 LEU 9 HD21 LEU 9 -0.671 2.979 3.858 824 HD22 LEU 9 HD22 LEU 9 -0.371 3.387 5.561 825 HD23 LEU 9 HD23 LEU 9 -1.971 2.793 5.055 826 H THR 10 H THR 10 -3.406 5.446 8.601 827 HA THR 10 HA THR 10 -4.271 8.031 9.143 828 HB THR 10 HB THR 10 -4.180 5.704 11.088 829 HG1 THR 10 HG1 THR 10 -6.304 5.339 10.289 830 HG21 THR 10 HG21 THR 10 -6.173 6.763 12.123 831 HG22 THR 10 HG22 THR 10 -4.764 7.842 12.189 832 HG23 THR 10 HG23 THR 10 -6.039 8.115 10.978 833 H THR 11 H THR 11 -1.796 6.178 11.016 834 HA THR 11 HA THR 11 -1.173 8.225 12.880 835 HB THR 11 HB THR 11 0.660 6.056 11.820 836 HG1 THR 11 HG1 THR 11 -0.169 4.920 13.648 837 HG21 THR 11 HG21 THR 11 1.723 6.188 14.059 838 HG22 THR 11 HG22 THR 11 1.835 7.740 13.204 839 HG23 THR 11 HG23 THR 11 0.627 7.516 14.493 840 H MET 12 H MET 12 0.356 7.418 9.711 841 HA MET 12 HA MET 12 2.341 9.425 9.802 842 HB2 MET 12 HB1 MET 12 1.003 8.085 7.429 843 HB3 MET 12 HB2 MET 12 2.437 9.132 7.313 844 HG2 MET 12 HG1 MET 12 3.697 7.630 8.756 845 HG3 MET 12 HG2 MET 12 2.264 6.621 9.012 846 HE1 MET 12 HE1 MET 12 5.364 6.312 5.728 847 HE2 MET 12 HE2 MET 12 4.900 7.905 6.367 848 HE3 MET 12 HE3 MET 12 5.535 6.656 7.464 849 H VAL 13 H VAL 13 -1.002 9.634 8.406 850 HA VAL 13 HA VAL 13 -0.618 12.344 7.556 851 HB VAL 13 HB VAL 13 -2.986 12.533 7.218 852 HG11 VAL 13 HG11 VAL 13 -3.307 10.761 5.510 853 HG12 VAL 13 HG12 VAL 13 -1.659 11.421 5.473 854 HG13 VAL 13 HG13 VAL 13 -1.972 9.841 6.232 855 HG21 VAL 13 HG21 VAL 13 -4.591 10.695 7.583 856 HG22 VAL 13 HG22 VAL 13 -3.316 9.761 8.388 857 HG23 VAL 13 HG23 VAL 13 -3.899 11.283 9.105 858 H THR 14 H THR 14 -1.550 10.954 10.656 859 HA THR 14 HA THR 14 -2.540 13.386 11.849 860 HB THR 14 HB THR 14 -1.395 10.907 13.184 861 HG1 THR 14 HG1 THR 14 -3.636 10.397 13.321 862 HG21 THR 14 HG21 THR 14 -2.784 11.615 15.119 863 HG22 THR 14 HG22 THR 14 -1.570 12.850 14.718 864 HG23 THR 14 HG23 THR 14 -3.268 13.077 14.231 865 H THR 15 H THR 15 0.625 11.653 12.141 866 HA THR 15 HA THR 15 1.945 13.683 13.595 867 HB THR 15 HB THR 15 4.070 12.665 12.553 868 HG1 THR 15 HG1 THR 15 3.659 10.613 11.628 869 HG21 THR 15 HG21 THR 15 3.839 10.675 13.995 870 HG22 THR 15 HG22 THR 15 3.176 12.124 14.787 871 HG23 THR 15 HG23 THR 15 2.078 10.926 14.059 872 H PHE 16 H PHE 16 1.594 13.277 10.042 873 HA PHE 16 HA PHE 16 3.240 15.448 9.283 874 HB2 PHE 16 HB1 PHE 16 2.275 13.713 7.780 875 HB3 PHE 16 HB2 PHE 16 0.681 14.463 7.981 876 HD1 PHE 16 HD2 PHE 16 0.212 16.712 6.964 877 HD2 PHE 16 HD1 PHE 16 3.959 14.690 6.341 878 HE1 PHE 16 HE2 PHE 16 0.648 18.113 4.960 879 HE2 PHE 16 HE1 PHE 16 4.296 15.955 4.233 880 HZ PHE 16 HZ PHE 16 2.641 17.682 3.542 881 H HIS 17 H HIS 17 -0.236 15.465 10.322 882 HA HIS 17 HA HIS 17 -0.860 18.064 9.427 883 HB2 HIS 17 HB1 HIS 17 -2.178 15.970 10.554 884 HB3 HIS 17 HB2 HIS 17 -2.124 17.077 11.938 885 HD1 HIS 17 HD1 HIS 17 -4.362 16.245 9.272 886 HD2 HIS 17 HD2 HIS 17 -2.973 19.815 10.992 887 HE1 HIS 17 HE1 HIS 17 -6.089 18.038 8.708 888 HE2 HIS 17 HE2 HIS 17 -5.266 20.232 9.755 889 H LYS 18 H LYS 18 0.873 17.092 12.333 890 HA LYS 18 HA LYS 18 0.716 19.529 13.816 891 HB2 LYS 18 HB1 LYS 18 2.771 17.300 13.675 892 HB3 LYS 18 HB2 LYS 18 2.736 18.563 14.930 893 HG2 LYS 18 HG1 LYS 18 0.708 17.646 15.877 894 HG3 LYS 18 HG2 LYS 18 0.555 16.481 14.542 895 HD2 LYS 18 HD1 LYS 18 2.687 15.454 15.120 896 HD3 LYS 18 HD2 LYS 18 2.994 16.699 16.356 897 HE2 LYS 18 HE1 LYS 18 1.079 15.821 17.674 898 HE3 LYS 18 HE2 LYS 18 0.851 14.545 16.459 899 HZ1 LYS 18 HZ1 LYS 18 2.190 13.794 18.295 900 HZ2 LYS 18 HZ2 LYS 18 3.088 13.803 16.909 901 HZ3 LYS 18 HZ3 LYS 18 3.301 14.988 18.037 902 H TYR 19 H TYR 19 2.506 18.772 10.946 903 HA TYR 19 HA TYR 19 4.184 21.215 11.104 904 HB2 TYR 19 HB1 TYR 19 5.281 18.540 10.194 905 HB3 TYR 19 HB2 TYR 19 6.166 20.047 10.495 906 HD1 TYR 19 HD1 TYR 19 4.483 17.159 12.068 907 HD2 TYR 19 HD2 TYR 19 7.005 20.578 12.714 908 HE1 TYR 19 HE1 TYR 19 4.946 16.365 14.362 909 HE2 TYR 19 HE2 TYR 19 7.430 19.822 15.051 910 HH TYR 19 HH TYR 19 6.917 18.229 16.682 911 H SER 20 H SER 20 3.021 22.237 9.494 912 HA SER 20 HA SER 20 2.330 22.259 7.085 913 HB2 SER 20 HB1 SER 20 0.648 20.590 6.381 914 HB3 SER 20 HB2 SER 20 2.269 19.898 6.626 915 HG SER 20 HG SER 20 0.600 18.585 7.502 916 H GLY 21 H GLY 21 -0.296 20.732 8.928 917 HA2 GLY 21 HA2 GLY 21 -1.327 23.148 8.715 918 H ARG 22 H ARG 22 0.059 22.542 10.935 919 HA ARG 22 HA ARG 22 -1.092 24.153 12.935 920 HB2 ARG 22 HB1 ARG 22 1.367 24.667 13.378 921 HB3 ARG 22 HB2 ARG 22 0.939 22.939 13.317 922 HG2 ARG 22 HG1 ARG 22 2.230 22.554 11.488 923 HG3 ARG 22 HG2 ARG 22 1.753 24.082 10.709 924 HD2 ARG 22 HD1 ARG 22 3.999 24.429 11.072 925 HD3 ARG 22 HD2 ARG 22 3.285 25.164 12.524 926 HE ARG 22 HE ARG 22 3.828 22.477 13.144 927 HH11 ARG 22 HH12 ARG 22 5.514 25.492 12.383 928 HH12 ARG 22 HH11 ARG 22 6.984 25.006 13.188 929 HH21 ARG 22 HH22 ARG 22 5.773 21.869 14.113 930 HH22 ARG 22 HH21 ARG 22 7.126 22.975 14.157 931 H GLU 23 H GLU 23 0.123 25.068 9.727 932 HA GLU 23 HA GLU 23 0.024 27.926 10.492 933 HB2 GLU 23 HB1 GLU 23 2.366 26.414 9.340 934 HB3 GLU 23 HB2 GLU 23 2.156 28.146 8.991 935 HG2 GLU 23 HG1 GLU 23 2.162 28.671 11.375 936 HG3 GLU 23 HG2 GLU 23 2.224 26.944 11.789 937 H GLY 24 H GLY 24 -0.527 25.487 7.935 938 HA2 GLY 24 HA2 GLY 24 -2.395 26.313 7.243 939 H SER 25 H SER 25 -0.318 25.575 4.665 940 HA SER 25 HA SER 25 -2.288 23.917 3.483 941 HB2 SER 25 HB1 SER 25 -0.173 24.542 2.381 942 HB3 SER 25 HB2 SER 25 0.733 23.567 3.563 943 HG SER 25 HG SER 25 0.318 22.436 1.608 944 H LYS 26 H LYS 26 -2.958 21.810 3.838 945 HA LYS 26 HA LYS 26 -1.829 20.410 6.220 946 HB2 LYS 26 HB1 LYS 26 -4.583 20.584 4.989 947 HB3 LYS 26 HB2 LYS 26 -4.151 19.238 6.071 948 HG2 LYS 26 HG1 LYS 26 -3.663 20.713 7.879 949 HG3 LYS 26 HG2 LYS 26 -3.657 22.138 6.814 950 HD2 LYS 26 HD1 LYS 26 -6.148 20.493 7.301 951 HD3 LYS 26 HD2 LYS 26 -5.670 21.842 8.360 952 HE2 LYS 26 HE1 LYS 26 -6.081 22.078 5.358 953 HE3 LYS 26 HE2 LYS 26 -7.322 22.462 6.570 954 HZ1 LYS 26 HZ1 LYS 26 -6.162 24.421 5.835 955 HZ2 LYS 26 HZ2 LYS 26 -5.865 24.150 7.433 956 HZ3 LYS 26 HZ3 LYS 26 -4.714 23.795 6.310 957 H LEU 27 H LEU 27 -1.383 20.412 3.054 958 HA LEU 27 HA LEU 27 -0.835 17.519 2.830 959 HB2 LEU 27 HB1 LEU 27 -1.414 17.573 0.486 960 HB3 LEU 27 HB2 LEU 27 -2.788 18.053 1.512 961 HG LEU 27 HG LEU 27 -1.098 20.089 0.046 962 HD11 LEU 27 HD11 LEU 27 -2.802 19.985 -1.766 963 HD12 LEU 27 HD12 LEU 27 -1.964 18.425 -1.587 964 HD13 LEU 27 HD13 LEU 27 -3.606 18.634 -0.930 965 HD21 LEU 27 HD21 LEU 27 -3.166 21.462 0.187 966 HD22 LEU 27 HD22 LEU 27 -3.989 20.128 1.025 967 HD23 LEU 27 HD23 LEU 27 -2.621 20.960 1.802 968 H THR 28 H THR 28 0.485 20.665 2.669 969 HA THR 28 HA THR 28 3.097 19.484 1.930 970 HB THR 28 HB THR 28 3.805 21.636 0.953 971 HG1 THR 28 HG1 THR 28 2.153 23.101 0.331 972 HG21 THR 28 HG21 THR 28 2.646 21.449 -1.227 973 HG22 THR 28 HG22 THR 28 3.065 19.853 -0.575 974 HG23 THR 28 HG23 THR 28 1.393 20.452 -0.463 975 H LEU 29 H LEU 29 4.868 20.991 2.704 976 HA LEU 29 HA LEU 29 4.547 22.525 5.124 977 HB2 LEU 29 HB1 LEU 29 5.622 21.103 6.678 978 HB3 LEU 29 HB2 LEU 29 4.268 20.188 5.971 979 HG LEU 29 HG LEU 29 7.217 19.797 5.374 980 HD11 LEU 29 HD11 LEU 29 6.882 17.600 6.513 981 HD12 LEU 29 HD12 LEU 29 6.499 18.951 7.604 982 HD13 LEU 29 HD13 LEU 29 5.186 18.029 6.829 983 HD21 LEU 29 HD21 LEU 29 6.517 17.775 4.120 984 HD22 LEU 29 HD22 LEU 29 4.816 18.192 4.414 985 HD23 LEU 29 HD23 LEU 29 5.831 19.247 3.403 986 H SER 30 H SER 30 6.803 23.298 5.900 987 HA SER 30 HA SER 30 8.487 23.713 3.589 988 HB2 SER 30 HB1 SER 30 8.442 25.442 5.270 989 HB3 SER 30 HB2 SER 30 9.044 24.315 6.509 990 HG SER 30 HG SER 30 10.694 25.641 5.635 991 H ARG 31 H ARG 31 10.604 22.936 3.131 992 HA ARG 31 HA ARG 31 11.111 20.209 3.747 993 HB2 ARG 31 HB1 ARG 31 11.729 21.675 1.713 994 HB3 ARG 31 HB2 ARG 31 13.190 22.076 2.648 995 HG2 ARG 31 HG1 ARG 31 13.995 19.889 2.579 996 HG3 ARG 31 HG2 ARG 31 12.388 19.198 2.251 997 HD2 ARG 31 HD1 ARG 31 12.559 20.491 -0.014 998 HD3 ARG 31 HD2 ARG 31 14.297 20.569 0.346 999 HE ARG 31 HE ARG 31 14.137 18.029 0.577 1000 HH11 ARG 31 HH12 ARG 31 12.577 19.856 -1.992 1001 HH12 ARG 31 HH11 ARG 31 12.082 18.425 -2.855 1002 HH21 ARG 31 HH22 ARG 31 13.178 16.209 -0.433 1003 HH22 ARG 31 HH21 ARG 31 12.415 16.410 -1.991 1004 H LYS 32 H LYS 32 11.890 23.009 5.601 1005 HA LYS 32 HA LYS 32 13.647 21.649 7.472 1006 HB2 LYS 32 HB1 LYS 32 13.858 23.980 7.320 1007 HB3 LYS 32 HB2 LYS 32 12.097 24.236 7.368 1008 HG2 LYS 32 HG1 LYS 32 13.143 25.043 9.389 1009 HG3 LYS 32 HG2 LYS 32 12.064 23.670 9.736 1010 HD2 LYS 32 HD1 LYS 32 14.064 22.193 9.941 1011 HD3 LYS 32 HD2 LYS 32 15.108 23.612 9.689 1012 HE2 LYS 32 HE1 LYS 32 14.168 24.716 11.653 1013 HE3 LYS 32 HE2 LYS 32 12.974 23.416 11.860 1014 HZ1 LYS 32 HZ1 LYS 32 14.794 23.202 13.388 1015 HZ2 LYS 32 HZ2 LYS 32 14.775 21.927 12.346 1016 HZ3 LYS 32 HZ3 LYS 32 15.883 23.134 12.155 1017 H GLU 33 H GLU 33 10.068 22.239 7.342 1018 HA GLU 33 HA GLU 33 9.485 21.247 9.921 1019 HB2 GLU 33 HB1 GLU 33 7.915 21.648 7.405 1020 HB3 GLU 33 HB2 GLU 33 7.207 20.642 8.692 1021 HG2 GLU 33 HG1 GLU 33 7.459 22.513 10.286 1022 HG3 GLU 33 HG2 GLU 33 8.155 23.516 8.994 1023 H LEU 34 H LEU 34 9.693 19.394 6.772 1024 HA LEU 34 HA LEU 34 9.064 16.871 7.942 1025 HB2 LEU 34 HB1 LEU 34 9.064 17.159 5.560 1026 HB3 LEU 34 HB2 LEU 34 10.778 17.639 5.563 1027 HG LEU 34 HG LEU 34 11.423 15.364 6.219 1028 HD11 LEU 34 HD11 LEU 34 9.790 13.504 6.184 1029 HD12 LEU 34 HD12 LEU 34 9.399 14.686 7.453 1030 HD13 LEU 34 HD13 LEU 34 8.474 14.672 5.932 1031 HD21 LEU 34 HD21 LEU 34 10.870 14.242 4.079 1032 HD22 LEU 34 HD22 LEU 34 9.576 15.430 3.795 1033 HD23 LEU 34 HD23 LEU 34 11.278 15.954 3.824 1034 H LYS 35 H LYS 35 12.259 18.559 7.638 1035 HA LYS 35 HA LYS 35 13.791 16.448 8.779 1036 HB2 LYS 35 HB1 LYS 35 14.867 18.230 7.599 1037 HB3 LYS 35 HB2 LYS 35 14.182 19.455 8.694 1038 HG2 LYS 35 HG1 LYS 35 15.506 18.629 10.547 1039 HG3 LYS 35 HG2 LYS 35 16.074 17.247 9.582 1040 HD2 LYS 35 HD1 LYS 35 16.645 20.131 8.831 1041 HD3 LYS 35 HD2 LYS 35 17.727 19.161 9.860 1042 HE2 LYS 35 HE1 LYS 35 17.652 17.407 7.960 1043 HE3 LYS 35 HE2 LYS 35 16.961 18.703 6.960 1044 HZ1 LYS 35 HZ1 LYS 35 19.331 18.542 6.695 1045 HZ2 LYS 35 HZ2 LYS 35 18.932 19.987 7.377 1046 HZ3 LYS 35 HZ3 LYS 35 19.573 18.783 8.305 1047 H GLU 36 H GLU 36 12.062 19.180 10.307 1048 HA GLU 36 HA GLU 36 12.670 18.505 12.997 1049 HB2 GLU 36 HB1 GLU 36 11.402 20.562 11.699 1050 HB3 GLU 36 HB2 GLU 36 10.038 19.737 12.490 1051 HG2 GLU 36 HG1 GLU 36 10.780 21.348 14.067 1052 HG3 GLU 36 HG2 GLU 36 11.449 19.804 14.638 1053 H LEU 37 H LEU 37 9.971 17.423 10.844 1054 HA LEU 37 HA LEU 37 8.487 15.954 12.700 1055 HB2 LEU 37 HB1 LEU 37 7.922 16.455 10.316 1056 HB3 LEU 37 HB2 LEU 37 9.102 15.219 9.814 1057 HG LEU 37 HG LEU 37 7.699 13.600 11.267 1058 HD11 LEU 37 HD11 LEU 37 5.300 14.177 11.425 1059 HD12 LEU 37 HD12 LEU 37 6.300 15.304 12.368 1060 HD13 LEU 37 HD13 LEU 37 5.654 15.798 10.784 1061 HD21 LEU 37 HD21 LEU 37 6.168 13.169 9.360 1062 HD22 LEU 37 HD22 LEU 37 6.534 14.781 8.706 1063 HD23 LEU 37 HD23 LEU 37 7.810 13.544 8.790 1064 H ILE 38 H ILE 38 11.349 14.911 10.839 1065 HA ILE 38 HA ILE 38 11.528 12.260 11.917 1066 HB ILE 38 HB ILE 38 13.566 13.997 10.491 1067 HG12 ILE 38 HG13 ILE 38 12.086 11.763 9.121 1068 HG13 ILE 38 HG12 ILE 38 11.229 13.299 9.388 1069 HG21 ILE 38 HG21 ILE 38 14.690 11.879 9.835 1070 HG22 ILE 38 HG22 ILE 38 14.655 12.075 11.600 1071 HG23 ILE 38 HG23 ILE 38 13.515 10.966 10.801 1072 HD11 ILE 38 HD11 ILE 38 12.345 13.274 7.176 1073 HD12 ILE 38 HD12 ILE 38 13.051 14.518 8.235 1074 HD13 ILE 38 HD13 ILE 38 13.910 12.982 7.970 1075 H LYS 39 H LYS 39 12.423 15.302 13.313 1076 HA LYS 39 HA LYS 39 14.126 13.953 15.331 1077 HB2 LYS 39 HB1 LYS 39 13.836 16.784 14.301 1078 HB3 LYS 39 HB2 LYS 39 14.735 16.406 15.790 1079 HG2 LYS 39 HG1 LYS 39 15.366 15.547 12.957 1080 HG3 LYS 39 HG2 LYS 39 16.319 16.610 14.020 1081 HD2 LYS 39 HD1 LYS 39 15.933 13.610 14.293 1082 HD3 LYS 39 HD2 LYS 39 17.423 14.472 13.843 1083 HE2 LYS 39 HE1 LYS 39 17.580 15.461 16.065 1084 HE3 LYS 39 HE2 LYS 39 16.012 14.767 16.526 1085 HZ1 LYS 39 HZ1 LYS 39 17.836 13.469 17.356 1086 HZ2 LYS 39 HZ2 LYS 39 16.969 12.590 16.261 1087 HZ3 LYS 39 HZ3 LYS 39 18.425 13.235 15.834 1088 H LYS 40 H LYS 40 10.929 15.212 15.009 1089 HA LYS 40 HA LYS 40 10.677 15.566 17.950 1090 HB2 LYS 40 HB1 LYS 40 8.905 16.595 15.705 1091 HB3 LYS 40 HB2 LYS 40 8.654 16.882 17.445 1092 HG2 LYS 40 HG1 LYS 40 10.798 17.983 15.635 1093 HG3 LYS 40 HG2 LYS 40 9.563 18.864 16.569 1094 HD2 LYS 40 HD1 LYS 40 11.669 17.281 17.998 1095 HD3 LYS 40 HD2 LYS 40 12.062 18.877 17.316 1096 HE2 LYS 40 HE1 LYS 40 11.449 19.178 19.619 1097 HE3 LYS 40 HE2 LYS 40 10.139 19.831 18.611 1098 HZ1 LYS 40 HZ1 LYS 40 9.296 18.523 20.427 1099 HZ2 LYS 40 HZ2 LYS 40 8.924 17.805 18.991 1100 HZ3 LYS 40 HZ3 LYS 40 10.141 17.199 19.927 1101 H GLU 41 H GLU 41 9.333 13.930 15.154 1102 HA GLU 41 HA GLU 41 7.394 12.441 16.836 1103 HB2 GLU 41 HB1 GLU 41 7.477 12.740 13.816 1104 HB3 GLU 41 HB2 GLU 41 6.235 11.879 14.756 1105 HG2 GLU 41 HG1 GLU 41 6.828 14.853 14.858 1106 HG3 GLU 41 HG2 GLU 41 5.445 14.084 14.049 1107 H LEU 42 H LEU 42 10.129 11.885 14.490 1108 HA LEU 42 HA LEU 42 10.539 9.368 16.014 1109 HB2 LEU 42 HB1 LEU 42 11.496 10.603 13.518 1110 HB3 LEU 42 HB2 LEU 42 12.822 9.992 14.537 1111 HG LEU 42 HG LEU 42 12.159 8.395 12.847 1112 HD11 LEU 42 HD11 LEU 42 11.897 6.414 14.298 1113 HD12 LEU 42 HD12 LEU 42 13.069 7.570 14.966 1114 HD13 LEU 42 HD13 LEU 42 11.428 7.473 15.647 1115 HD21 LEU 42 HD21 LEU 42 9.983 7.247 12.885 1116 HD22 LEU 42 HD22 LEU 42 9.442 8.329 14.186 1117 HD23 LEU 42 HD23 LEU 42 9.808 8.986 12.573 1118 H CYS 43 H CYS 43 12.625 9.213 17.270 1119 HA CYS 43 HA CYS 43 13.940 11.844 17.693 1120 HB2 CYS 43 HB1 CYS 43 13.187 10.682 19.771 1121 HB3 CYS 43 HB2 CYS 43 14.340 9.375 19.405 1122 HG CYS 43 HG CYS 43 15.371 10.996 21.185 1123 H LEU 44 H LEU 44 15.037 8.473 17.622 1124 HA LEU 44 HA LEU 44 16.292 7.316 16.247 1125 HB2 LEU 44 HB1 LEU 44 15.222 9.006 14.507 1126 HB3 LEU 44 HB2 LEU 44 16.913 9.547 14.359 1127 HG LEU 44 HG LEU 44 17.323 6.893 14.318 1128 HD11 LEU 44 HD11 LEU 44 15.601 5.747 12.969 1129 HD12 LEU 44 HD12 LEU 44 14.948 6.299 14.528 1130 HD13 LEU 44 HD13 LEU 44 14.584 7.204 13.040 1131 HD21 LEU 44 HD21 LEU 44 17.430 7.040 11.855 1132 HD22 LEU 44 HD22 LEU 44 16.455 8.525 11.904 1133 HD23 LEU 44 HD23 LEU 44 18.082 8.505 12.623 1134 H GLY 45 H GLY 45 17.513 10.094 17.807 1135 HA2 GLY 45 HA2 GLY 45 19.887 9.128 17.129 1136 H GLU 46 H GLU 46 18.509 8.005 19.062 1137 HA GLU 46 HA GLU 46 20.886 6.919 20.449 1138 HB2 GLU 46 HB1 GLU 46 19.321 5.996 22.072 1139 HB3 GLU 46 HB2 GLU 46 19.137 7.761 21.940 1140 HG2 GLU 46 HG1 GLU 46 17.308 5.730 20.620 1141 HG3 GLU 46 HG2 GLU 46 16.982 6.528 22.174 1142 H MET 47 H MET 47 19.455 6.470 17.626 1143 HA MET 47 HA MET 47 19.446 3.488 17.734 1144 HB2 MET 47 HB1 MET 47 17.798 5.334 15.958 1145 HB3 MET 47 HB2 MET 47 17.757 3.554 15.948 1146 HG2 MET 47 HG1 MET 47 16.740 3.479 18.103 1147 HG3 MET 47 HG2 MET 47 17.023 5.206 18.375 1148 HE1 MET 47 HE1 MET 47 13.926 3.615 15.266 1149 HE2 MET 47 HE2 MET 47 15.682 3.587 14.998 1150 HE3 MET 47 HE3 MET 47 14.955 2.550 16.248 1151 H LYS 48 H LYS 48 20.104 6.387 15.747 1152 HA LYS 48 HA LYS 48 21.869 4.975 13.862 1153 HB2 LYS 48 HB1 LYS 48 19.067 5.131 13.669 1154 HB3 LYS 48 HB2 LYS 48 19.628 6.491 12.667 1155 HG2 LYS 48 HG1 LYS 48 19.305 4.545 11.330 1156 HG3 LYS 48 HG2 LYS 48 21.027 4.989 11.398 1157 HD2 LYS 48 HD1 LYS 48 20.698 2.573 11.385 1158 HD3 LYS 48 HD2 LYS 48 21.487 3.132 12.880 1159 HE2 LYS 48 HE1 LYS 48 19.497 2.777 14.161 1160 HE3 LYS 48 HE2 LYS 48 18.525 2.510 12.699 1161 HZ1 LYS 48 HZ1 LYS 48 19.092 0.446 13.780 1162 HZ2 LYS 48 HZ2 LYS 48 19.802 0.519 12.292 1163 HZ3 LYS 48 HZ3 LYS 48 20.704 0.767 13.650 1164 H GLU 49 H GLU 49 23.251 6.418 12.766 1165 HA GLU 49 HA GLU 49 23.140 9.275 13.640 1166 HB2 GLU 49 HB1 GLU 49 25.552 7.430 13.667 1167 HB3 GLU 49 HB2 GLU 49 25.540 9.151 14.123 1168 HG2 GLU 49 HG1 GLU 49 24.735 8.724 16.213 1169 HG3 GLU 49 HG2 GLU 49 23.725 7.365 15.671 1170 H SER 50 H SER 50 25.892 7.788 11.951 1171 HA SER 50 HA SER 50 25.617 9.550 9.689 1172 HB2 SER 50 HB1 SER 50 27.769 8.648 10.679 1173 HB3 SER 50 HB2 SER 50 27.374 7.088 9.918 1174 HG SER 50 HG SER 50 28.724 8.403 8.601 1175 H SER 51 H SER 51 25.872 8.529 7.437 1176 HA SER 51 HA SER 51 24.887 7.653 5.635 1177 HB2 SER 51 HB1 SER 51 23.819 5.449 7.428 1178 HB3 SER 51 HB2 SER 51 23.846 5.441 5.649 1179 HG SER 51 HG SER 51 25.631 4.322 6.572 1180 H ILE 52 H ILE 52 22.600 7.750 8.445 1181 HA ILE 52 HA ILE 52 20.398 8.385 6.657 1182 HB ILE 52 HB ILE 52 19.049 8.728 8.653 1183 HG12 ILE 52 HG13 ILE 52 19.968 7.770 10.840 1184 HG13 ILE 52 HG12 ILE 52 21.571 8.207 10.206 1185 HG21 ILE 52 HG21 ILE 52 19.079 6.333 9.310 1186 HG22 ILE 52 HG22 ILE 52 19.328 6.529 7.560 1187 HG23 ILE 52 HG23 ILE 52 20.711 6.171 8.622 1188 HD11 ILE 52 HD11 ILE 52 20.702 9.967 11.720 1189 HD12 ILE 52 HD12 ILE 52 20.872 10.566 10.057 1190 HD13 ILE 52 HD13 ILE 52 19.267 10.130 10.690 1191 H ASP 53 H ASP 53 22.868 10.261 8.193 1192 HA ASP 53 HA ASP 53 21.390 12.741 8.025 1193 HB2 ASP 53 HB1 ASP 53 23.275 12.216 9.648 1194 HB3 ASP 53 HB2 ASP 53 24.384 12.497 8.289 1195 H ASP 54 H ASP 54 23.135 10.887 5.596 1196 HA ASP 54 HA ASP 54 23.552 13.000 3.723 1197 HB2 ASP 54 HB1 ASP 54 24.384 10.759 3.240 1198 HB3 ASP 54 HB2 ASP 54 22.735 10.102 3.253 1199 H LEU 55 H LEU 55 20.691 10.969 4.408 1200 HA LEU 55 HA LEU 55 18.885 12.118 2.547 1201 HB2 LEU 55 HB1 LEU 55 18.227 11.013 5.294 1202 HB3 LEU 55 HB2 LEU 55 17.159 11.105 3.872 1203 HG LEU 55 HG LEU 55 19.575 9.300 4.210 1204 HD11 LEU 55 HD11 LEU 55 17.882 7.491 4.195 1205 HD12 LEU 55 HD12 LEU 55 17.597 8.631 5.530 1206 HD13 LEU 55 HD13 LEU 55 16.589 8.705 4.066 1207 HD21 LEU 55 HD21 LEU 55 18.914 8.299 2.047 1208 HD22 LEU 55 HD22 LEU 55 17.629 9.517 1.880 1209 HD23 LEU 55 HD23 LEU 55 19.337 10.015 1.862 1210 H MET 56 H MET 56 19.549 12.921 6.029 1211 HA MET 56 HA MET 56 17.843 15.171 6.165 1212 HB2 MET 56 HB1 MET 56 20.414 14.511 7.636 1213 HB3 MET 56 HB2 MET 56 19.339 15.863 8.068 1214 HG2 MET 56 HG1 MET 56 18.492 12.949 7.939 1215 HG3 MET 56 HG2 MET 56 18.972 13.788 9.422 1216 HE1 MET 56 HE1 MET 56 15.747 14.665 10.802 1217 HE2 MET 56 HE2 MET 56 16.912 13.317 10.756 1218 HE3 MET 56 HE3 MET 56 17.497 14.991 10.911 1219 H LYS 57 H LYS 57 21.257 14.983 5.087 1220 HA LYS 57 HA LYS 57 21.623 17.757 4.570 1221 HB2 LYS 57 HB1 LYS 57 23.069 15.232 4.074 1222 HB3 LYS 57 HB2 LYS 57 23.333 16.464 2.817 1223 HG2 LYS 57 HG1 LYS 57 23.594 17.045 5.795 1224 HG3 LYS 57 HG2 LYS 57 24.963 16.547 4.776 1225 HD2 LYS 57 HD1 LYS 57 24.854 18.507 3.455 1226 HD3 LYS 57 HD2 LYS 57 23.181 18.857 3.951 1227 HE2 LYS 57 HE1 LYS 57 24.138 19.153 6.331 1228 HE3 LYS 57 HE2 LYS 57 25.736 19.197 5.553 1229 HZ1 LYS 57 HZ1 LYS 57 24.843 21.392 5.875 1230 HZ2 LYS 57 HZ2 LYS 57 24.986 21.070 4.265 1231 HZ3 LYS 57 HZ3 LYS 57 23.504 21.030 4.986 1232 H SER 58 H SER 58 20.157 15.221 2.733 1233 HA SER 58 HA SER 58 19.878 16.735 0.299 1234 HB2 SER 58 HB1 SER 58 18.833 14.045 1.184 1235 HB3 SER 58 HB2 SER 58 18.457 14.770 -0.396 1236 HG SER 58 HG SER 58 20.333 13.429 -0.457 1237 H LEU 59 H LEU 59 17.769 16.379 3.191 1238 HA LEU 59 HA LEU 59 15.788 18.130 1.972 1239 HB2 LEU 59 HB1 LEU 59 16.472 17.642 4.890 1240 HB3 LEU 59 HB2 LEU 59 15.053 18.534 4.294 1241 HG LEU 59 HG LEU 59 15.652 15.599 3.829 1242 HD11 LEU 59 HD11 LEU 59 13.743 15.214 5.355 1243 HD12 LEU 59 HD12 LEU 59 15.039 16.132 6.156 1244 HD13 LEU 59 HD13 LEU 59 13.576 16.969 5.586 1245 HD21 LEU 59 HD21 LEU 59 13.381 15.435 2.878 1246 HD22 LEU 59 HD22 LEU 59 13.186 17.191 3.052 1247 HD23 LEU 59 HD23 LEU 59 14.407 16.537 1.935 1248 H ASP 60 H ASP 60 18.752 18.569 3.843 1249 HA ASP 60 HA ASP 60 18.749 21.413 4.065 1250 HB2 ASP 60 HB1 ASP 60 20.232 19.244 4.967 1251 HB3 ASP 60 HB2 ASP 60 21.363 20.079 3.878 1252 H LYS 61 H LYS 61 18.676 19.834 1.177 1253 HA LYS 61 HA LYS 61 20.792 20.998 -0.330 1254 HB2 LYS 61 HB1 LYS 61 18.859 19.161 -0.802 1255 HB3 LYS 61 HB2 LYS 61 18.136 20.565 -1.622 1256 HG2 LYS 61 HG1 LYS 61 19.321 19.618 -3.358 1257 HG3 LYS 61 HG2 LYS 61 20.524 20.766 -2.725 1258 HD2 LYS 61 HD1 LYS 61 21.707 18.736 -3.107 1259 HD3 LYS 61 HD2 LYS 61 21.454 18.821 -1.347 1260 HE2 LYS 61 HE1 LYS 61 19.480 17.314 -1.586 1261 HE3 LYS 61 HE2 LYS 61 19.807 17.191 -3.328 1262 HZ1 LYS 61 HZ1 LYS 61 20.694 15.322 -2.125 1263 HZ2 LYS 61 HZ2 LYS 61 21.919 16.195 -2.798 1264 HZ3 LYS 61 HZ3 LYS 61 21.616 16.308 -1.180 1265 H ASN 62 H ASN 62 17.707 22.273 0.742 1266 HA ASN 62 HA ASN 62 18.499 25.026 0.087 1267 HB2 ASN 62 HB1 ASN 62 15.804 23.861 -0.728 1268 HB3 ASN 62 HB2 ASN 62 16.304 25.559 -0.884 1269 HD21 ASN 62 HD21 ASN 62 18.202 25.992 -2.339 1270 HD22 ASN 62 HD22 ASN 62 18.389 24.979 -3.760 1271 H SER 63 H SER 63 15.906 22.940 1.396 1272 HA SER 63 HA SER 63 15.173 22.568 3.439 1273 HB2 SER 63 HB1 SER 63 16.068 23.412 5.428 1274 HB3 SER 63 HB2 SER 63 17.414 23.230 4.277 1275 HG SER 63 HG SER 63 17.526 25.177 5.478 1276 H ASP 64 H ASP 64 14.232 25.286 1.783 1277 HA ASP 64 HA ASP 64 12.699 26.510 4.043 1278 HB2 ASP 64 HB1 ASP 64 12.824 28.548 2.627 1279 HB3 ASP 64 HB2 ASP 64 14.445 27.893 2.940 1280 H GLN 65 H GLN 65 12.621 25.429 0.771 1281 HA GLN 65 HA GLN 65 10.202 26.276 -0.244 1282 HB2 GLN 65 HB1 GLN 65 10.553 24.304 -1.788 1283 HB3 GLN 65 HB2 GLN 65 11.952 25.389 -1.619 1284 HG2 GLN 65 HG1 GLN 65 12.928 23.771 0.030 1285 HG3 GLN 65 HG2 GLN 65 11.582 22.667 -0.324 1286 HE21 GLN 65 HE12 GLN 65 13.844 24.638 -2.378 1287 HE22 GLN 65 HE22 GLN 65 14.361 23.279 -3.347 1288 H GLU 66 H GLU 66 8.221 25.190 -0.745 1289 HA GLU 66 HA GLU 66 7.317 23.274 1.188 1290 HB2 GLU 66 HB1 GLU 66 6.107 23.961 -1.498 1291 HB3 GLU 66 HB2 GLU 66 5.352 22.940 -0.250 1292 HG2 GLU 66 HG1 GLU 66 5.279 24.858 1.288 1293 HG3 GLU 66 HG2 GLU 66 6.058 25.881 0.062 1294 H ILE 67 H ILE 67 7.303 21.208 1.222 1295 HA ILE 67 HA ILE 67 7.715 19.549 -1.214 1296 HB ILE 67 HB ILE 67 8.041 17.765 0.780 1297 HG12 ILE 67 HG13 ILE 67 9.500 20.139 1.937 1298 HG13 ILE 67 HG12 ILE 67 7.873 19.670 2.483 1299 HG21 ILE 67 HG21 ILE 67 10.466 17.909 0.377 1300 HG22 ILE 67 HG22 ILE 67 9.540 18.108 -1.127 1301 HG23 ILE 67 HG23 ILE 67 10.250 19.529 -0.325 1302 HD11 ILE 67 HD11 ILE 67 9.613 18.721 3.952 1303 HD12 ILE 67 HD12 ILE 67 8.720 17.445 3.099 1304 HD13 ILE 67 HD13 ILE 67 10.348 17.912 2.551 1305 H ASP 68 H ASP 68 6.387 17.586 -1.237 1306 HA ASP 68 HA ASP 68 3.770 17.926 0.087 1307 HB2 ASP 68 HB1 ASP 68 2.815 16.865 -1.735 1308 HB3 ASP 68 HB2 ASP 68 4.198 17.681 -2.494 1309 H PHE 69 H PHE 69 2.581 15.724 0.254 1310 HA PHE 69 HA PHE 69 3.503 14.117 2.320 1311 HB2 PHE 69 HB1 PHE 69 1.300 14.231 0.418 1312 HB3 PHE 69 HB2 PHE 69 1.761 12.550 0.734 1313 HD1 PHE 69 HD1 PHE 69 1.783 11.688 3.086 1314 HD2 PHE 69 HD2 PHE 69 0.165 15.546 2.063 1315 HE1 PHE 69 HE1 PHE 69 0.618 11.779 5.281 1316 HE2 PHE 69 HE2 PHE 69 -1.008 15.632 4.257 1317 HZ PHE 69 HZ PHE 69 -0.784 13.749 5.856 1318 H LYS 70 H LYS 70 4.202 13.686 -1.150 1319 HA LYS 70 HA LYS 70 5.050 10.921 -0.894 1320 HB2 LYS 70 HB1 LYS 70 4.048 12.010 -2.920 1321 HB3 LYS 70 HB2 LYS 70 5.539 12.970 -3.080 1322 HG2 LYS 70 HG1 LYS 70 6.823 10.840 -3.340 1323 HG3 LYS 70 HG2 LYS 70 5.282 9.950 -3.312 1324 HD2 LYS 70 HD1 LYS 70 4.491 11.080 -5.293 1325 HD3 LYS 70 HD2 LYS 70 5.817 12.264 -5.226 1326 HE2 LYS 70 HE1 LYS 70 7.446 10.390 -5.542 1327 HE3 LYS 70 HE2 LYS 70 6.079 9.272 -5.725 1328 HZ1 LYS 70 HZ1 LYS 70 6.913 10.009 -7.841 1329 HZ2 LYS 70 HZ2 LYS 70 5.369 10.549 -7.622 1330 HZ3 LYS 70 HZ3 LYS 70 6.640 11.588 -7.452 1331 H GLU 71 H GLU 71 6.771 14.060 -1.388 1332 HA GLU 71 HA GLU 71 9.433 13.117 -1.212 1333 HB2 GLU 71 HB1 GLU 71 8.105 15.739 -0.452 1334 HB3 GLU 71 HB2 GLU 71 9.867 15.494 -0.404 1335 HG2 GLU 71 HG1 GLU 71 8.566 14.741 -2.967 1336 HG3 GLU 71 HG2 GLU 71 8.488 16.471 -2.565 1337 H TYR 72 H TYR 72 7.027 13.860 1.287 1338 HA TYR 72 HA TYR 72 8.655 13.255 3.568 1339 HB2 TYR 72 HB1 TYR 72 6.784 14.503 4.010 1340 HB3 TYR 72 HB2 TYR 72 5.759 13.567 2.907 1341 HD1 TYR 72 HD2 TYR 72 7.786 12.409 5.886 1342 HD2 TYR 72 HD1 TYR 72 3.909 12.844 4.080 1343 HE1 TYR 72 HE2 TYR 72 6.745 11.321 7.860 1344 HE2 TYR 72 HE1 TYR 72 2.847 11.893 6.113 1345 HH TYR 72 HH TYR 72 4.778 10.963 8.997 1346 H SER 73 H SER 73 6.267 11.116 1.813 1347 HA SER 73 HA SER 73 6.797 8.936 3.598 1348 HB2 SER 73 HB1 SER 73 5.376 7.615 2.162 1349 HB3 SER 73 HB2 SER 73 4.658 9.223 2.431 1350 HG SER 73 HG SER 73 4.530 8.544 0.246 1351 H VAL 74 H VAL 74 8.017 9.596 0.241 1352 HA VAL 74 HA VAL 74 9.616 7.276 0.093 1353 HB VAL 74 HB VAL 74 11.020 8.299 -1.503 1354 HG11 VAL 74 HG11 VAL 74 9.395 8.881 -3.242 1355 HG12 VAL 74 HG12 VAL 74 8.856 7.512 -2.247 1356 HG13 VAL 74 HG13 VAL 74 8.160 9.131 -1.990 1357 HG21 VAL 74 HG21 VAL 74 10.929 10.623 -2.277 1358 HG22 VAL 74 HG22 VAL 74 9.779 10.994 -0.979 1359 HG23 VAL 74 HG23 VAL 74 11.439 10.493 -0.584 1360 H PHE 75 H PHE 75 10.308 10.471 1.679 1361 HA PHE 75 HA PHE 75 13.018 9.807 2.296 1362 HB2 PHE 75 HB1 PHE 75 12.026 12.096 2.428 1363 HB3 PHE 75 HB2 PHE 75 11.122 11.586 3.864 1364 HD1 PHE 75 HD2 PHE 75 12.591 10.629 5.877 1365 HD2 PHE 75 HD1 PHE 75 14.118 13.033 2.654 1366 HE1 PHE 75 HE2 PHE 75 14.672 11.030 7.168 1367 HE2 PHE 75 HE1 PHE 75 16.098 13.584 4.029 1368 HZ PHE 75 HZ PHE 75 16.396 12.589 6.278 1369 H LEU 76 H LEU 76 10.012 9.503 4.338 1370 HA LEU 76 HA LEU 76 11.302 8.340 6.565 1371 HB2 LEU 76 HB1 LEU 76 8.545 8.631 5.530 1372 HB3 LEU 76 HB2 LEU 76 8.784 7.263 6.642 1373 HG LEU 76 HG LEU 76 7.997 9.394 7.698 1374 HD11 LEU 76 HD11 LEU 76 9.494 9.187 9.657 1375 HD12 LEU 76 HD12 LEU 76 9.075 7.597 8.984 1376 HD13 LEU 76 HD13 LEU 76 10.673 8.310 8.658 1377 HD21 LEU 76 HD21 LEU 76 9.620 11.196 8.178 1378 HD22 LEU 76 HD22 LEU 76 10.817 10.382 7.147 1379 HD23 LEU 76 HD23 LEU 76 9.319 11.033 6.435 1380 H THR 77 H THR 77 10.146 6.866 3.590 1381 HA THR 77 HA THR 77 10.540 4.113 4.392 1382 HB THR 77 HB THR 77 10.215 5.348 1.633 1383 HG1 THR 77 HG1 THR 77 8.022 4.803 2.072 1384 HG21 THR 77 HG21 THR 77 9.286 3.126 1.060 1385 HG22 THR 77 HG22 THR 77 10.972 2.988 1.606 1386 HG23 THR 77 HG23 THR 77 9.642 2.556 2.707 1387 H MET 78 H MET 78 12.413 6.431 2.370 1388 HA MET 78 HA MET 78 14.631 4.794 1.764 1389 HB2 MET 78 HB1 MET 78 14.000 7.166 0.950 1390 HB3 MET 78 HB2 MET 78 14.800 7.746 2.430 1391 HG2 MET 78 HG1 MET 78 16.585 7.828 1.013 1392 HG3 MET 78 HG2 MET 78 16.746 6.151 1.559 1393 HE1 MET 78 HE1 MET 78 15.542 7.790 -2.514 1394 HE2 MET 78 HE2 MET 78 14.730 8.301 -1.010 1395 HE3 MET 78 HE3 MET 78 16.474 8.587 -1.218 1396 H LEU 79 H LEU 79 14.013 6.889 4.581 1397 HA LEU 79 HA LEU 79 16.337 6.299 6.087 1398 HB2 LEU 79 HB1 LEU 79 14.991 8.232 6.489 1399 HB3 LEU 79 HB2 LEU 79 13.535 7.242 6.748 1400 HG LEU 79 HG LEU 79 14.451 6.375 8.821 1401 HD11 LEU 79 HD11 LEU 79 16.571 7.227 9.767 1402 HD12 LEU 79 HD12 LEU 79 16.841 6.376 8.229 1403 HD13 LEU 79 HD13 LEU 79 16.857 8.155 8.276 1404 HD21 LEU 79 HD21 LEU 79 14.424 8.461 10.153 1405 HD22 LEU 79 HD22 LEU 79 14.672 9.409 8.668 1406 HD23 LEU 79 HD23 LEU 79 13.169 8.482 8.892 1407 H CYS 80 H CYS 80 13.085 4.649 6.067 1408 HA CYS 80 HA CYS 80 13.739 2.811 8.128 1409 HB2 CYS 80 HB1 CYS 80 11.462 3.364 7.192 1410 HB3 CYS 80 HB2 CYS 80 11.856 2.331 5.795 1411 HG CYS 80 HG CYS 80 10.315 1.026 7.462 1412 H MET 81 H MET 81 14.344 2.511 4.562 1413 HA MET 81 HA MET 81 15.582 -0.068 4.931 1414 HB2 MET 81 HB1 MET 81 16.236 0.040 2.623 1415 HB3 MET 81 HB2 MET 81 14.515 0.426 2.863 1416 HG2 MET 81 HG1 MET 81 14.930 2.762 2.502 1417 HG3 MET 81 HG2 MET 81 16.680 2.493 2.448 1418 HE1 MET 81 HE1 MET 81 14.306 0.238 -0.800 1419 HE2 MET 81 HE2 MET 81 14.880 -0.386 0.762 1420 HE3 MET 81 HE3 MET 81 13.515 0.756 0.706 1421 H ALA 82 H ALA 82 16.709 2.899 5.917 1422 HA ALA 82 HA ALA 82 19.512 2.012 5.818 1423 HB1 ALA 82 HB1 ALA 82 20.001 4.218 6.797 1424 HB2 ALA 82 HB2 ALA 82 19.023 4.358 5.316 1425 HB3 ALA 82 HB3 ALA 82 18.257 4.553 6.911 1426 H TYR 83 H TYR 83 16.937 1.120 7.709 1427 HA TYR 83 HA TYR 83 18.767 0.136 9.717 1428 HB2 TYR 83 HB1 TYR 83 17.646 0.985 11.664 1429 HB3 TYR 83 HB2 TYR 83 18.293 2.282 10.647 1430 HD1 TYR 83 HD1 TYR 83 15.075 0.538 11.532 1431 HD2 TYR 83 HD2 TYR 83 17.016 4.115 10.125 1432 HE1 TYR 83 HE1 TYR 83 12.967 1.809 11.872 1433 HE2 TYR 83 HE2 TYR 83 14.953 5.415 10.580 1434 HH TYR 83 HH TYR 83 12.761 5.345 11.264 1435 H ASN 84 H ASN 84 16.196 -0.624 7.827 1436 HA ASN 84 HA ASN 84 14.911 -2.469 9.637 1437 HB2 ASN 84 HB1 ASN 84 13.513 -3.078 7.870 1438 HB3 ASN 84 HB2 ASN 84 13.780 -1.326 7.745 1439 HD21 ASN 84 HD21 ASN 84 12.747 -2.836 5.619 1440 HD22 ASN 84 HD22 ASN 84 13.929 -2.865 4.320 1441 H ASP 85 H ASP 85 17.979 -2.635 8.739 1442 HA ASP 85 HA ASP 85 18.338 -5.421 8.315 1443 HB2 ASP 85 HB1 ASP 85 20.553 -5.048 9.250 1444 HB3 ASP 85 HB2 ASP 85 20.116 -3.695 8.183 1445 H PHE 86 H PHE 86 17.252 -3.630 11.119 1446 HA PHE 86 HA PHE 86 17.643 -5.557 13.156 1447 HB2 PHE 86 HB1 PHE 86 15.774 -3.236 12.704 1448 HB3 PHE 86 HB2 PHE 86 15.640 -4.244 14.156 1449 HD1 PHE 86 HD2 PHE 86 19.067 -3.588 12.912 1450 HD2 PHE 86 HD1 PHE 86 15.901 -2.167 15.454 1451 HE1 PHE 86 HE2 PHE 86 20.691 -2.189 14.156 1452 HE2 PHE 86 HE1 PHE 86 17.529 -0.783 16.709 1453 HZ PHE 86 HZ PHE 86 19.938 -0.813 16.086 1454 H PHE 87 H PHE 87 15.739 -5.970 10.398 1455 HA PHE 87 HA PHE 87 14.119 -8.066 11.744 1456 HB2 PHE 87 HB1 PHE 87 13.480 -6.826 9.062 1457 HB3 PHE 87 HB2 PHE 87 12.424 -7.783 10.114 1458 HD1 PHE 87 HD1 PHE 87 12.507 -6.482 12.715 1459 HD2 PHE 87 HD2 PHE 87 12.586 -4.743 8.782 1460 HE1 PHE 87 HE1 PHE 87 11.708 -4.321 13.650 1461 HE2 PHE 87 HE2 PHE 87 11.845 -2.569 9.717 1462 HZ PHE 87 HZ PHE 87 11.397 -2.355 12.159 1463 H LEU 88 H LEU 88 16.948 -7.884 10.190 1464 HA LEU 88 HA LEU 88 16.524 -10.337 8.583 1465 HB2 LEU 88 HB1 LEU 88 18.166 -7.942 8.190 1466 HB3 LEU 88 HB2 LEU 88 19.107 -9.445 8.037 1467 HG LEU 88 HG LEU 88 16.486 -8.960 6.593 1468 HD11 LEU 88 HD11 LEU 88 17.814 -8.516 4.537 1469 HD12 LEU 88 HD12 LEU 88 18.143 -7.304 5.790 1470 HD13 LEU 88 HD13 LEU 88 19.308 -8.617 5.492 1471 HD21 LEU 88 HD21 LEU 88 17.273 -10.816 5.125 1472 HD22 LEU 88 HD22 LEU 88 18.758 -10.940 6.091 1473 HD23 LEU 88 HD23 LEU 88 17.185 -11.335 6.822 1474 H GLU 89 H GLU 89 18.172 -11.851 8.544 1475 HA GLU 89 HA GLU 89 19.080 -12.679 11.232 1476 HB2 GLU 89 HB1 GLU 89 18.442 -14.146 8.637 1477 HB3 GLU 89 HB2 GLU 89 19.064 -14.942 10.103 1478 HG2 GLU 89 HG1 GLU 89 16.866 -15.334 10.464 1479 HG3 GLU 89 HG2 GLU 89 16.930 -13.704 11.167 1480 H ASP 90 H ASP 90 20.463 -11.095 8.846 1481 HA ASP 90 HA ASP 90 22.402 -10.808 7.768 1482 HB2 ASP 90 HB1 ASP 90 23.519 -11.187 9.913 1483 HB3 ASP 90 HB2 ASP 90 23.560 -12.934 9.593 1484 H ASN 91 H ASN 91 22.684 -14.289 8.340 1485 HA ASN 91 HA ASN 91 22.238 -16.147 7.202 1486 HB2 ASN 91 HB1 ASN 91 20.185 -14.926 6.435 1487 HB3 ASN 91 HB2 ASN 91 21.075 -14.474 4.964 1488 HD21 ASN 91 HD21 ASN 91 22.129 -17.581 5.559 1489 HD22 ASN 91 HD22 ASN 91 20.927 -18.462 4.620 1490 H LYS 92 H LYS 92 23.807 -13.580 5.258 1491 HA LYS 92 HA LYS 92 25.898 -15.105 4.198 1492 HB2 LYS 92 HB1 LYS 92 25.101 -15.315 1.803 1493 HB3 LYS 92 HB2 LYS 92 24.471 -16.488 2.983 1494 HG2 LYS 92 HG1 LYS 92 22.840 -15.708 1.263 1495 HG3 LYS 92 HG2 LYS 92 22.321 -15.517 2.955 1496 HD2 LYS 92 HD1 LYS 92 21.602 -13.641 1.558 1497 HD3 LYS 92 HD2 LYS 92 22.725 -13.117 2.835 1498 HE2 LYS 92 HE1 LYS 92 24.414 -13.661 0.689 1499 HE3 LYS 92 HE2 LYS 92 22.986 -12.948 -0.090 1500 HZ1 LYS 92 HZ1 LYS 92 24.579 -11.283 0.540 1501 HZ2 LYS 92 HZ2 LYS 92 23.184 -11.084 1.397 1502 HZ3 LYS 92 HZ3 LYS 92 24.510 -11.747 2.121 Start of MODEL 22 1 HA MET 1 HA MET 1 13.763 6.329 22.445 2 HB2 MET 1 HB1 MET 1 12.959 8.378 20.398 3 HB3 MET 1 HB2 MET 1 11.676 7.462 21.228 4 HG2 MET 1 HG1 MET 1 12.209 9.627 22.313 5 HG3 MET 1 HG2 MET 1 12.419 8.224 23.374 6 HE1 MET 1 HE1 MET 1 15.031 11.226 24.255 7 HE2 MET 1 HE2 MET 1 13.534 11.465 23.325 8 HE3 MET 1 HE3 MET 1 13.521 10.447 24.784 9 H GLU 2 H GLU 2 11.910 4.704 22.230 10 HA GLU 2 HA GLU 2 10.992 4.518 19.397 11 HB2 GLU 2 HB1 GLU 2 9.469 2.745 20.153 12 HB3 GLU 2 HB2 GLU 2 11.192 2.342 20.347 13 HG2 GLU 2 HG1 GLU 2 10.125 1.452 22.228 14 HG3 GLU 2 HG2 GLU 2 10.919 2.939 22.796 15 H THR 3 H THR 3 8.637 4.916 19.070 16 HA THR 3 HA THR 3 7.384 6.834 20.921 17 HB THR 3 HB THR 3 7.373 8.666 19.423 18 HG1 THR 3 HG1 THR 3 8.352 8.488 17.366 19 HG21 THR 3 HG21 THR 3 9.743 9.281 19.118 20 HG22 THR 3 HG22 THR 3 9.452 8.552 20.709 21 HG23 THR 3 HG23 THR 3 10.209 7.594 19.413 22 HA PRO 4 HA PRO 4 3.841 5.187 18.909 23 HB2 PRO 4 HB1 PRO 4 1.909 7.059 18.583 24 HB3 PRO 4 HB2 PRO 4 2.610 6.696 20.194 25 HG2 PRO 4 HG1 PRO 4 3.330 8.954 18.324 26 HG3 PRO 4 HG2 PRO 4 3.007 9.045 20.086 27 HD2 PRO 4 HD1 PRO 4 5.544 8.870 18.964 28 HD3 PRO 4 HD2 PRO 4 5.141 8.234 20.589 29 H LEU 5 H LEU 5 5.123 7.794 16.775 30 HA LEU 5 HA LEU 5 3.454 6.876 14.582 31 HB2 LEU 5 HB1 LEU 5 3.897 9.169 14.567 32 HB3 LEU 5 HB2 LEU 5 5.651 8.923 14.736 33 HG LEU 5 HG LEU 5 5.741 7.961 12.472 34 HD11 LEU 5 HD11 LEU 5 3.799 8.139 10.920 35 HD12 LEU 5 HD12 LEU 5 3.426 7.081 12.298 36 HD13 LEU 5 HD13 LEU 5 2.801 8.747 12.257 37 HD21 LEU 5 HD21 LEU 5 5.280 10.016 11.141 38 HD22 LEU 5 HD22 LEU 5 4.299 10.648 12.478 39 HD23 LEU 5 HD23 LEU 5 6.051 10.413 12.690 40 H GLU 6 H GLU 6 6.864 6.089 15.572 41 HA GLU 6 HA GLU 6 7.422 4.508 13.315 42 HB2 GLU 6 HB1 GLU 6 8.904 3.190 14.634 43 HB3 GLU 6 HB2 GLU 6 9.018 4.889 15.154 44 HG2 GLU 6 HG1 GLU 6 8.976 3.951 17.193 45 HG3 GLU 6 HG2 GLU 6 7.221 4.036 16.932 46 H LYS 7 H LYS 7 5.036 3.857 15.892 47 HA LYS 7 HA LYS 7 4.733 1.080 15.406 48 HB2 LYS 7 HB1 LYS 7 2.571 2.992 16.331 49 HB3 LYS 7 HB2 LYS 7 2.655 1.234 16.602 50 HG2 LYS 7 HG1 LYS 7 4.620 3.246 17.736 51 HG3 LYS 7 HG2 LYS 7 3.217 2.591 18.612 52 HD2 LYS 7 HD1 LYS 7 4.178 0.268 18.151 53 HD3 LYS 7 HD2 LYS 7 5.660 1.089 17.605 54 HE2 LYS 7 HE1 LYS 7 4.417 1.748 20.276 55 HE3 LYS 7 HE2 LYS 7 5.473 0.330 20.095 56 HZ1 LYS 7 HZ1 LYS 7 6.685 2.256 20.816 57 HZ2 LYS 7 HZ2 LYS 7 7.193 1.791 19.320 58 HZ3 LYS 7 HZ3 LYS 7 6.214 3.108 19.488 59 H ALA 8 H ALA 8 3.560 3.856 13.579 60 HA ALA 8 HA ALA 8 1.736 2.433 11.886 61 HB1 ALA 8 HB1 ALA 8 1.895 4.454 10.471 62 HB2 ALA 8 HB2 ALA 8 1.678 4.879 12.185 63 HB3 ALA 8 HB3 ALA 8 3.285 5.014 11.430 64 H LEU 9 H LEU 9 5.182 3.453 11.398 65 HA LEU 9 HA LEU 9 5.588 2.178 8.902 66 HB2 LEU 9 HB1 LEU 9 7.430 2.870 11.199 67 HB3 LEU 9 HB2 LEU 9 8.022 2.099 9.708 68 HG LEU 9 HG LEU 9 8.500 4.453 9.731 69 HD11 LEU 9 HD11 LEU 9 7.575 5.113 7.539 70 HD12 LEU 9 HD12 LEU 9 8.080 3.410 7.557 71 HD13 LEU 9 HD13 LEU 9 6.354 3.831 7.678 72 HD21 LEU 9 HD21 LEU 9 6.775 6.213 9.615 73 HD22 LEU 9 HD22 LEU 9 5.517 4.980 9.837 74 HD23 LEU 9 HD23 LEU 9 6.691 5.302 11.137 75 H THR 10 H THR 10 6.106 0.970 12.231 76 HA THR 10 HA THR 10 6.811 -1.685 11.793 77 HB THR 10 HB THR 10 5.225 -0.351 14.011 78 HG1 THR 10 HG1 THR 10 7.340 -0.439 14.928 79 HG21 THR 10 HG21 THR 10 5.919 -2.266 15.416 80 HG22 THR 10 HG22 THR 10 4.865 -2.798 14.087 81 HG23 THR 10 HG23 THR 10 6.623 -3.056 13.987 82 H THR 11 H THR 11 3.432 -0.364 11.943 83 HA THR 11 HA THR 11 2.114 -2.857 11.504 84 HB THR 11 HB THR 11 1.220 -0.053 10.774 85 HG1 THR 11 HG1 THR 11 0.162 -0.244 12.812 86 HG21 THR 11 HG21 THR 11 -1.108 -0.908 10.985 87 HG22 THR 11 HG22 THR 11 -0.231 -1.742 9.688 88 HG23 THR 11 HG23 THR 11 -0.472 -2.542 11.260 89 H MET 12 H MET 12 3.185 -0.332 9.163 90 HA MET 12 HA MET 12 2.250 -1.587 6.801 91 HB2 MET 12 HB1 MET 12 4.701 0.148 7.241 92 HB3 MET 12 HB2 MET 12 3.991 -0.244 5.657 93 HG2 MET 12 HG1 MET 12 2.135 1.129 6.016 94 HG3 MET 12 HG2 MET 12 2.386 1.184 7.768 95 HE1 MET 12 HE1 MET 12 3.628 4.271 4.806 96 HE2 MET 12 HE2 MET 12 3.327 2.600 4.275 97 HE3 MET 12 HE3 MET 12 2.078 3.485 5.186 98 H VAL 13 H VAL 13 5.517 -1.864 8.388 99 HA VAL 13 HA VAL 13 6.444 -3.722 6.404 100 HB VAL 13 HB VAL 13 8.346 -4.211 7.820 101 HG11 VAL 13 HG11 VAL 13 9.337 -1.949 7.861 102 HG12 VAL 13 HG12 VAL 13 8.389 -2.223 6.384 103 HG13 VAL 13 HG13 VAL 13 7.714 -1.243 7.708 104 HG21 VAL 13 HG21 VAL 13 8.721 -3.093 9.987 105 HG22 VAL 13 HG22 VAL 13 7.080 -2.417 9.911 106 HG23 VAL 13 HG23 VAL 13 7.316 -4.177 10.038 107 H THR 14 H THR 14 4.773 -4.178 9.513 108 HA THR 14 HA THR 14 5.187 -6.977 9.793 109 HB THR 14 HB THR 14 2.910 -5.200 10.731 110 HG1 THR 14 HG1 THR 14 4.143 -5.394 12.670 111 HG21 THR 14 HG21 THR 14 2.449 -6.963 12.416 112 HG22 THR 14 HG22 THR 14 2.194 -7.574 10.768 113 HG23 THR 14 HG23 THR 14 3.676 -8.000 11.657 114 H THR 15 H THR 15 2.632 -5.126 8.084 115 HA THR 15 HA THR 15 1.157 -7.452 7.265 116 HB THR 15 HB THR 15 0.130 -5.715 5.607 117 HG1 THR 15 HG1 THR 15 0.368 -3.587 6.418 118 HG21 THR 15 HG21 THR 15 -1.297 -4.906 7.459 119 HG22 THR 15 HG22 THR 15 -0.934 -6.638 7.639 120 HG23 THR 15 HG23 THR 15 -0.072 -5.440 8.635 121 H PHE 16 H PHE 16 3.283 -5.231 5.396 122 HA PHE 16 HA PHE 16 3.293 -6.573 2.942 123 HB2 PHE 16 HB1 PHE 16 4.118 -4.335 3.341 124 HB3 PHE 16 HB2 PHE 16 5.369 -4.941 4.439 125 HD1 PHE 16 HD2 PHE 16 7.330 -6.191 3.536 126 HD2 PHE 16 HD1 PHE 16 4.492 -4.206 0.977 127 HE1 PHE 16 HE2 PHE 16 8.956 -6.253 1.669 128 HE2 PHE 16 HE1 PHE 16 6.198 -4.102 -0.829 129 HZ PHE 16 HZ PHE 16 8.412 -5.190 -0.509 130 H HIS 17 H HIS 17 5.454 -7.132 5.764 131 HA HIS 17 HA HIS 17 7.198 -9.007 4.611 132 HB2 HIS 17 HB1 HIS 17 7.641 -7.991 6.746 133 HB3 HIS 17 HB2 HIS 17 6.170 -8.692 7.446 134 HD1 HIS 17 HD1 HIS 17 7.096 -10.366 9.206 135 HD2 HIS 17 HD2 HIS 17 8.999 -10.552 5.466 136 HE1 HIS 17 HE1 HIS 17 8.737 -12.318 9.321 137 HE2 HIS 17 HE2 HIS 17 9.902 -12.460 7.044 138 H LYS 18 H LYS 18 3.933 -9.565 6.041 139 HA LYS 18 HA LYS 18 4.015 -12.379 6.136 140 HB2 LYS 18 HB1 LYS 18 2.235 -10.372 6.762 141 HB3 LYS 18 HB2 LYS 18 1.411 -11.194 5.415 142 HG2 LYS 18 HG1 LYS 18 2.375 -12.485 7.986 143 HG3 LYS 18 HG2 LYS 18 0.692 -12.070 7.584 144 HD2 LYS 18 HD1 LYS 18 0.743 -13.698 5.728 145 HD3 LYS 18 HD2 LYS 18 2.417 -14.124 6.157 146 HE2 LYS 18 HE1 LYS 18 0.930 -15.805 7.055 147 HE3 LYS 18 HE2 LYS 18 1.610 -14.864 8.399 148 HZ1 LYS 18 HZ1 LYS 18 -0.734 -15.244 8.678 149 HZ2 LYS 18 HZ2 LYS 18 -0.439 -13.635 8.492 150 HZ3 LYS 18 HZ3 LYS 18 -1.070 -14.508 7.244 151 H TYR 19 H TYR 19 3.581 -10.295 3.329 152 HA TYR 19 HA TYR 19 2.919 -12.593 1.590 153 HB2 TYR 19 HB1 TYR 19 2.875 -9.585 1.273 154 HB3 TYR 19 HB2 TYR 19 2.686 -10.677 -0.111 155 HD1 TYR 19 HD2 TYR 19 1.159 -9.659 3.155 156 HD2 TYR 19 HD1 TYR 19 0.639 -11.797 -0.548 157 HE1 TYR 19 HE2 TYR 19 -1.294 -9.734 3.547 158 HE2 TYR 19 HE1 TYR 19 -1.789 -12.008 -0.088 159 HH TYR 19 HH TYR 19 -3.339 -10.503 2.753 160 H SER 20 H SER 20 5.723 -11.371 2.735 161 HA SER 20 HA SER 20 7.316 -11.500 0.212 162 HB2 SER 20 HB1 SER 20 7.937 -10.207 2.902 163 HB3 SER 20 HB2 SER 20 8.894 -10.068 1.409 164 HG SER 20 HG SER 20 7.569 -8.223 1.793 165 H GLY 21 H GLY 21 7.641 -12.123 3.753 166 HA2 GLY 21 HA2 GLY 21 8.909 -14.293 2.923 167 H ARG 22 H ARG 22 7.011 -14.669 1.978 168 HA ARG 22 HA ARG 22 5.638 -16.956 3.088 169 HB2 ARG 22 HB1 ARG 22 4.485 -17.016 0.992 170 HB3 ARG 22 HB2 ARG 22 4.724 -15.299 1.400 171 HG2 ARG 22 HG1 ARG 22 6.805 -15.402 -0.093 172 HG3 ARG 22 HG2 ARG 22 6.180 -16.965 -0.668 173 HD2 ARG 22 HD1 ARG 22 4.623 -14.380 -0.843 174 HD3 ARG 22 HD2 ARG 22 5.706 -14.961 -2.127 175 HE ARG 22 HE ARG 22 3.628 -16.863 -1.332 176 HH11 ARG 22 HH12 ARG 22 4.788 -14.580 -3.745 177 HH12 ARG 22 HH11 ARG 22 3.440 -14.826 -4.817 178 HH21 ARG 22 HH22 ARG 22 1.719 -16.940 -2.735 179 HH22 ARG 22 HH21 ARG 22 1.764 -16.115 -4.266 180 H GLU 23 H GLU 23 8.594 -16.513 1.474 181 HA GLU 23 HA GLU 23 9.184 -19.353 0.967 182 HB2 GLU 23 HB1 GLU 23 9.057 -17.139 -1.115 183 HB3 GLU 23 HB2 GLU 23 10.072 -18.584 -1.332 184 HG2 GLU 23 HG1 GLU 23 7.225 -19.126 -0.740 185 HG3 GLU 23 HG2 GLU 23 7.535 -18.302 -2.283 186 H GLY 24 H GLY 24 10.227 -15.857 0.917 187 HA2 GLY 24 HA2 GLY 24 12.137 -16.152 2.205 188 H SER 25 H SER 25 13.051 -14.028 -0.256 189 HA SER 25 HA SER 25 14.229 -12.167 1.285 190 HB2 SER 25 HB1 SER 25 12.202 -11.475 -0.882 191 HB3 SER 25 HB2 SER 25 13.689 -10.590 -0.464 192 HG SER 25 HG SER 25 13.922 -11.875 -2.359 193 H LYS 26 H LYS 26 13.589 -11.242 3.279 194 HA LYS 26 HA LYS 26 10.739 -11.071 3.783 195 HB2 LYS 26 HB1 LYS 26 13.059 -10.220 5.509 196 HB3 LYS 26 HB2 LYS 26 11.352 -10.224 6.010 197 HG2 LYS 26 HG1 LYS 26 12.159 -12.154 6.958 198 HG3 LYS 26 HG2 LYS 26 11.423 -12.741 5.448 199 HD2 LYS 26 HD1 LYS 26 13.608 -13.797 6.072 200 HD3 LYS 26 HD2 LYS 26 13.531 -13.095 4.438 201 HE2 LYS 26 HE1 LYS 26 15.697 -12.680 5.476 202 HE3 LYS 26 HE2 LYS 26 14.820 -11.160 5.192 203 HZ1 LYS 26 HZ1 LYS 26 15.886 -11.185 7.326 204 HZ2 LYS 26 HZ2 LYS 26 14.249 -11.130 7.506 205 HZ3 LYS 26 HZ3 LYS 26 15.063 -12.540 7.771 206 H LEU 27 H LEU 27 12.578 -9.013 2.011 207 HA LEU 27 HA LEU 27 10.873 -6.690 2.629 208 HB2 LEU 27 HB1 LEU 27 12.562 -5.155 2.015 209 HB3 LEU 27 HB2 LEU 27 13.236 -6.295 3.204 210 HG LEU 27 HG LEU 27 13.771 -6.653 0.257 211 HD11 LEU 27 HD11 LEU 27 15.832 -5.288 0.561 212 HD12 LEU 27 HD12 LEU 27 14.373 -4.307 0.831 213 HD13 LEU 27 HD13 LEU 27 15.322 -4.892 2.219 214 HD21 LEU 27 HD21 LEU 27 15.849 -7.699 1.126 215 HD22 LEU 27 HD22 LEU 27 15.348 -7.306 2.787 216 HD23 LEU 27 HD23 LEU 27 14.406 -8.469 1.824 217 H THR 28 H THR 28 11.005 -9.000 0.236 218 HA THR 28 HA THR 28 9.901 -6.999 -1.650 219 HB THR 28 HB THR 28 10.767 -8.141 -3.594 220 HG1 THR 28 HG1 THR 28 12.335 -9.788 -3.316 221 HG21 THR 28 HG21 THR 28 13.174 -7.605 -3.421 222 HG22 THR 28 HG22 THR 28 12.169 -6.344 -2.676 223 HG23 THR 28 HG23 THR 28 13.019 -7.528 -1.654 224 H LEU 29 H LEU 29 8.315 -7.707 -3.131 225 HA LEU 29 HA LEU 29 7.487 -10.486 -3.205 226 HB2 LEU 29 HB1 LEU 29 5.250 -10.290 -2.524 227 HB3 LEU 29 HB2 LEU 29 6.215 -9.510 -1.246 228 HG LEU 29 HG LEU 29 4.632 -8.071 -3.405 229 HD11 LEU 29 HD11 LEU 29 3.137 -7.419 -1.533 230 HD12 LEU 29 HD12 LEU 29 3.206 -9.186 -1.712 231 HD13 LEU 29 HD13 LEU 29 4.122 -8.386 -0.414 232 HD21 LEU 29 HD21 LEU 29 5.073 -6.019 -2.096 233 HD22 LEU 29 HD22 LEU 29 6.078 -6.959 -0.972 234 HD23 LEU 29 HD23 LEU 29 6.585 -6.758 -2.667 235 H SER 30 H SER 30 5.937 -10.908 -4.924 236 HA SER 30 HA SER 30 6.319 -9.348 -7.271 237 HB2 SER 30 HB1 SER 30 4.260 -10.960 -7.929 238 HB3 SER 30 HB2 SER 30 5.958 -11.491 -7.863 239 HG SER 30 HG SER 30 4.538 -12.913 -6.731 240 H ARG 31 H ARG 31 5.012 -8.038 -8.452 241 HA ARG 31 HA ARG 31 3.432 -6.160 -7.010 242 HB2 ARG 31 HB1 ARG 31 5.000 -5.758 -8.865 243 HB3 ARG 31 HB2 ARG 31 3.876 -6.580 -9.973 244 HG2 ARG 31 HG1 ARG 31 2.609 -4.745 -10.233 245 HG3 ARG 31 HG2 ARG 31 2.642 -4.358 -8.497 246 HD2 ARG 31 HD1 ARG 31 5.252 -3.832 -9.347 247 HD3 ARG 31 HD2 ARG 31 4.247 -3.266 -10.700 248 HE ARG 31 HE ARG 31 3.017 -2.164 -8.521 249 HH11 ARG 31 HH12 ARG 31 6.223 -1.890 -9.924 250 HH12 ARG 31 HH11 ARG 31 6.597 -0.412 -9.079 251 HH21 ARG 31 HH22 ARG 31 3.656 -0.298 -7.300 252 HH22 ARG 31 HH21 ARG 31 5.187 0.465 -7.636 253 H LYS 32 H LYS 32 2.452 -9.040 -8.767 254 HA LYS 32 HA LYS 32 -0.356 -8.716 -8.678 255 HB2 LYS 32 HB1 LYS 32 1.620 -10.836 -9.013 256 HB3 LYS 32 HB2 LYS 32 0.231 -11.402 -8.055 257 HG2 LYS 32 HG1 LYS 32 -1.203 -11.293 -9.821 258 HG3 LYS 32 HG2 LYS 32 -0.451 -9.819 -10.477 259 HD2 LYS 32 HD1 LYS 32 1.414 -11.181 -11.384 260 HD3 LYS 32 HD2 LYS 32 0.649 -12.652 -10.738 261 HE2 LYS 32 HE1 LYS 32 -1.188 -12.495 -12.226 262 HE3 LYS 32 HE2 LYS 32 -0.869 -10.784 -12.583 263 HZ1 LYS 32 HZ1 LYS 32 -0.213 -12.205 -14.387 264 HZ2 LYS 32 HZ2 LYS 32 1.110 -11.462 -13.744 265 HZ3 LYS 32 HZ3 LYS 32 0.815 -13.050 -13.412 266 H GLU 33 H GLU 33 1.725 -10.259 -6.114 267 HA GLU 33 HA GLU 33 -0.371 -10.634 -4.265 268 HB2 GLU 33 HB1 GLU 33 2.625 -10.519 -4.075 269 HB3 GLU 33 HB2 GLU 33 1.653 -10.568 -2.584 270 HG2 GLU 33 HG1 GLU 33 2.291 -12.794 -3.077 271 HG3 GLU 33 HG2 GLU 33 0.561 -12.644 -3.455 272 H LEU 34 H LEU 34 1.798 -7.764 -4.679 273 HA LEU 34 HA LEU 34 0.998 -6.360 -2.370 274 HB2 LEU 34 HB1 LEU 34 2.841 -5.830 -4.023 275 HB3 LEU 34 HB2 LEU 34 1.585 -5.159 -5.091 276 HG LEU 34 HG LEU 34 1.120 -3.971 -2.583 277 HD11 LEU 34 HD11 LEU 34 3.287 -2.969 -1.957 278 HD12 LEU 34 HD12 LEU 34 3.322 -4.742 -1.818 279 HD13 LEU 34 HD13 LEU 34 4.096 -3.942 -3.207 280 HD21 LEU 34 HD21 LEU 34 1.803 -1.873 -3.685 281 HD22 LEU 34 HD22 LEU 34 2.577 -2.810 -4.983 282 HD23 LEU 34 HD23 LEU 34 0.812 -2.884 -4.760 283 H LYS 35 H LYS 35 -0.719 -6.613 -5.536 284 HA LYS 35 HA LYS 35 -2.777 -4.727 -4.866 285 HB2 LYS 35 HB1 LYS 35 -2.509 -5.170 -7.124 286 HB3 LYS 35 HB2 LYS 35 -2.365 -6.926 -6.871 287 HG2 LYS 35 HG1 LYS 35 -4.755 -7.113 -6.474 288 HG3 LYS 35 HG2 LYS 35 -4.943 -5.345 -6.551 289 HD2 LYS 35 HD1 LYS 35 -3.851 -7.017 -8.848 290 HD3 LYS 35 HD2 LYS 35 -5.571 -6.592 -8.677 291 HE2 LYS 35 HE1 LYS 35 -5.234 -4.438 -9.325 292 HE3 LYS 35 HE2 LYS 35 -3.711 -4.301 -8.418 293 HZ1 LYS 35 HZ1 LYS 35 -3.359 -4.141 -10.773 294 HZ2 LYS 35 HZ2 LYS 35 -2.628 -5.494 -10.180 295 HZ3 LYS 35 HZ3 LYS 35 -4.040 -5.621 -11.022 296 H GLU 36 H GLU 36 -2.489 -8.268 -4.393 297 HA GLU 36 HA GLU 36 -5.071 -8.636 -3.249 298 HB2 GLU 36 HB1 GLU 36 -4.028 -10.601 -4.015 299 HB3 GLU 36 HB2 GLU 36 -2.496 -10.228 -3.189 300 HG2 GLU 36 HG1 GLU 36 -3.366 -10.733 -1.071 301 HG3 GLU 36 HG2 GLU 36 -5.049 -10.577 -1.623 302 H LEU 37 H LEU 37 -1.878 -8.025 -1.734 303 HA LEU 37 HA LEU 37 -2.474 -8.097 0.970 304 HB2 LEU 37 HB1 LEU 37 -0.264 -7.886 0.170 305 HB3 LEU 37 HB2 LEU 37 -0.652 -6.420 -0.763 306 HG LEU 37 HG LEU 37 -0.871 -5.185 1.394 307 HD11 LEU 37 HD11 LEU 37 0.181 -6.114 3.429 308 HD12 LEU 37 HD12 LEU 37 -1.246 -7.056 2.950 309 HD13 LEU 37 HD13 LEU 37 0.388 -7.672 2.604 310 HD21 LEU 37 HD21 LEU 37 1.597 -5.032 1.708 311 HD22 LEU 37 HD22 LEU 37 1.799 -6.576 0.846 312 HD23 LEU 37 HD23 LEU 37 1.177 -5.149 -0.018 313 H ILE 38 H ILE 38 -2.779 -5.248 -1.196 314 HA ILE 38 HA ILE 38 -3.951 -3.516 0.768 315 HB ILE 38 HB ILE 38 -3.725 -3.429 -2.253 316 HG12 ILE 38 HG13 ILE 38 -2.168 -1.843 -0.172 317 HG13 ILE 38 HG12 ILE 38 -1.643 -3.447 -0.737 318 HG21 ILE 38 HG21 ILE 38 -4.157 -0.992 -2.149 319 HG22 ILE 38 HG22 ILE 38 -5.561 -1.926 -1.595 320 HG23 ILE 38 HG23 ILE 38 -4.495 -1.133 -0.411 321 HD11 ILE 38 HD11 ILE 38 -0.494 -1.643 -1.978 322 HD12 ILE 38 HD12 ILE 38 -1.541 -2.598 -3.051 323 HD13 ILE 38 HD13 ILE 38 -2.070 -0.994 -2.486 324 H LYS 39 H LYS 39 -5.416 -6.038 -1.110 325 HA LYS 39 HA LYS 39 -8.096 -4.980 -0.414 326 HB2 LYS 39 HB1 LYS 39 -6.982 -6.452 -2.748 327 HB3 LYS 39 HB2 LYS 39 -8.651 -6.838 -2.266 328 HG2 LYS 39 HG1 LYS 39 -7.671 -3.991 -2.686 329 HG3 LYS 39 HG2 LYS 39 -8.378 -4.970 -3.993 330 HD2 LYS 39 HD1 LYS 39 -10.504 -5.072 -2.903 331 HD3 LYS 39 HD2 LYS 39 -9.831 -4.462 -1.371 332 HE2 LYS 39 HE1 LYS 39 -9.376 -2.276 -2.443 333 HE3 LYS 39 HE2 LYS 39 -10.043 -2.885 -3.973 334 HZ1 LYS 39 HZ1 LYS 39 -11.657 -1.627 -2.738 335 HZ2 LYS 39 HZ2 LYS 39 -12.140 -3.199 -2.860 336 HZ3 LYS 39 HZ3 LYS 39 -11.522 -2.636 -1.440 337 H LYS 40 H LYS 40 -5.990 -6.988 1.032 338 HA LYS 40 HA LYS 40 -8.238 -8.502 2.260 339 HB2 LYS 40 HB1 LYS 40 -5.412 -9.388 1.623 340 HB3 LYS 40 HB2 LYS 40 -6.432 -10.232 2.813 341 HG2 LYS 40 HG1 LYS 40 -8.196 -10.476 1.000 342 HG3 LYS 40 HG2 LYS 40 -7.007 -9.835 -0.158 343 HD2 LYS 40 HD1 LYS 40 -5.391 -11.585 0.577 344 HD3 LYS 40 HD2 LYS 40 -6.637 -12.252 1.660 345 HE2 LYS 40 HE1 LYS 40 -8.075 -12.765 -0.247 346 HE3 LYS 40 HE2 LYS 40 -6.929 -11.989 -1.361 347 HZ1 LYS 40 HZ1 LYS 40 -6.698 -14.366 -1.365 348 HZ2 LYS 40 HZ2 LYS 40 -5.327 -13.666 -0.780 349 HZ3 LYS 40 HZ3 LYS 40 -6.390 -14.388 0.254 350 H GLU 41 H GLU 41 -4.995 -7.050 2.838 351 HA GLU 41 HA GLU 41 -5.408 -6.919 5.705 352 HB2 GLU 41 HB1 GLU 41 -3.326 -6.051 5.861 353 HB3 GLU 41 HB2 GLU 41 -3.209 -6.956 4.334 354 HG2 GLU 41 HG1 GLU 41 -2.186 -5.091 3.620 355 HG3 GLU 41 HG2 GLU 41 -3.851 -4.527 3.365 356 H LEU 42 H LEU 42 -6.038 -4.723 2.990 357 HA LEU 42 HA LEU 42 -7.824 -3.112 4.741 358 HB2 LEU 42 HB1 LEU 42 -6.025 -2.559 2.493 359 HB3 LEU 42 HB2 LEU 42 -7.683 -1.998 2.168 360 HG LEU 42 HG LEU 42 -6.215 -0.266 3.066 361 HD11 LEU 42 HD11 LEU 42 -7.757 0.607 4.775 362 HD12 LEU 42 HD12 LEU 42 -8.628 -0.113 3.407 363 HD13 LEU 42 HD13 LEU 42 -8.478 -1.006 4.939 364 HD21 LEU 42 HD21 LEU 42 -5.526 -0.244 5.430 365 HD22 LEU 42 HD22 LEU 42 -6.169 -1.887 5.623 366 HD23 LEU 42 HD23 LEU 42 -4.788 -1.591 4.540 367 H CYS 43 H CYS 43 -9.888 -2.593 3.814 368 HA CYS 43 HA CYS 43 -10.998 -4.608 1.938 369 HB2 CYS 43 HB1 CYS 43 -11.840 -4.576 4.336 370 HB3 CYS 43 HB2 CYS 43 -12.572 -2.995 3.964 371 HG CYS 43 HG CYS 43 -14.396 -4.873 3.829 372 H LEU 44 H LEU 44 -11.589 -1.235 2.930 373 HA LEU 44 HA LEU 44 -13.033 0.197 1.793 374 HB2 LEU 44 HB1 LEU 44 -10.197 0.456 1.689 375 HB3 LEU 44 HB2 LEU 44 -10.902 1.241 0.255 376 HG LEU 44 HG LEU 44 -12.500 2.419 1.844 377 HD11 LEU 44 HD11 LEU 44 -11.780 2.667 4.200 378 HD12 LEU 44 HD12 LEU 44 -12.191 0.980 3.824 379 HD13 LEU 44 HD13 LEU 44 -10.486 1.479 3.926 380 HD21 LEU 44 HD21 LEU 44 -10.814 4.140 2.424 381 HD22 LEU 44 HD22 LEU 44 -9.512 2.967 2.114 382 HD23 LEU 44 HD23 LEU 44 -10.556 3.510 0.779 383 H GLY 45 H GLY 45 -14.485 -1.060 0.577 384 HA2 GLY 45 HA2 GLY 45 -14.046 0.009 -1.798 385 H GLU 46 H GLU 46 -16.803 -0.207 -0.106 386 HA GLU 46 HA GLU 46 -18.313 1.543 -1.754 387 HB2 GLU 46 HB1 GLU 46 -19.964 1.259 0.135 388 HB3 GLU 46 HB2 GLU 46 -19.411 -0.228 -0.671 389 HG2 GLU 46 HG1 GLU 46 -18.040 0.668 1.855 390 HG3 GLU 46 HG2 GLU 46 -19.636 -0.109 1.958 391 H MET 47 H MET 47 -16.017 3.034 -1.100 392 HA MET 47 HA MET 47 -17.542 5.337 -0.032 393 HB2 MET 47 HB1 MET 47 -14.719 4.584 0.692 394 HB3 MET 47 HB2 MET 47 -15.281 6.272 0.763 395 HG2 MET 47 HG1 MET 47 -17.202 5.490 2.195 396 HG3 MET 47 HG2 MET 47 -16.457 3.882 2.231 397 HE1 MET 47 HE1 MET 47 -13.141 4.472 4.092 398 HE2 MET 47 HE2 MET 47 -14.235 3.293 3.323 399 HE3 MET 47 HE3 MET 47 -13.430 4.536 2.335 400 H LYS 48 H LYS 48 -14.221 5.371 -1.333 401 HA LYS 48 HA LYS 48 -15.203 6.692 -3.818 402 HB2 LYS 48 HB1 LYS 48 -12.739 6.819 -2.094 403 HB3 LYS 48 HB2 LYS 48 -12.548 7.103 -3.840 404 HG2 LYS 48 HG1 LYS 48 -12.883 9.234 -2.931 405 HG3 LYS 48 HG2 LYS 48 -14.458 8.777 -3.621 406 HD2 LYS 48 HD1 LYS 48 -14.873 9.910 -1.582 407 HD3 LYS 48 HD2 LYS 48 -15.213 8.184 -1.309 408 HE2 LYS 48 HE1 LYS 48 -14.072 8.692 0.609 409 HE3 LYS 48 HE2 LYS 48 -12.731 8.158 -0.428 410 HZ1 LYS 48 HZ1 LYS 48 -12.208 10.182 0.728 411 HZ2 LYS 48 HZ2 LYS 48 -12.263 10.454 -0.896 412 HZ3 LYS 48 HZ3 LYS 48 -13.507 10.948 0.068 413 H GLU 49 H GLU 49 -15.267 5.467 -5.585 414 HA GLU 49 HA GLU 49 -13.902 2.902 -5.746 415 HB2 GLU 49 HB1 GLU 49 -15.447 4.192 -7.990 416 HB3 GLU 49 HB2 GLU 49 -15.122 2.466 -7.698 417 HG2 GLU 49 HG1 GLU 49 -17.289 2.482 -7.013 418 HG3 GLU 49 HG2 GLU 49 -16.570 3.026 -5.483 419 H SER 50 H SER 50 -13.921 5.367 -8.422 420 HA SER 50 HA SER 50 -11.883 3.830 -9.590 421 HB2 SER 50 HB1 SER 50 -12.766 6.645 -10.322 422 HB3 SER 50 HB2 SER 50 -11.937 5.485 -11.387 423 HG SER 50 HG SER 50 -14.220 5.484 -11.676 424 H SER 51 H SER 51 -11.346 6.538 -7.412 425 HA SER 51 HA SER 51 -8.694 7.206 -8.123 426 HB2 SER 51 HB1 SER 51 -10.112 6.974 -5.445 427 HB3 SER 51 HB2 SER 51 -8.440 7.564 -5.591 428 HG SER 51 HG SER 51 -9.984 9.263 -5.555 429 H ILE 52 H ILE 52 -9.941 4.289 -6.456 430 HA ILE 52 HA ILE 52 -7.246 3.375 -5.815 431 HB ILE 52 HB ILE 52 -8.180 1.487 -4.842 432 HG12 ILE 52 HG13 ILE 52 -10.848 1.222 -5.012 433 HG13 ILE 52 HG12 ILE 52 -10.516 1.834 -6.651 434 HG21 ILE 52 HG21 ILE 52 -9.899 2.383 -3.292 435 HG22 ILE 52 HG22 ILE 52 -8.613 3.568 -3.599 436 HG23 ILE 52 HG23 ILE 52 -10.191 3.732 -4.408 437 HD11 ILE 52 HD11 ILE 52 -10.523 -0.646 -6.609 438 HD12 ILE 52 HD12 ILE 52 -8.915 -0.011 -7.017 439 HD13 ILE 52 HD13 ILE 52 -9.243 -0.622 -5.378 440 H ASP 53 H ASP 53 -9.390 3.146 -8.545 441 HA ASP 53 HA ASP 53 -8.351 0.654 -9.555 442 HB2 ASP 53 HB1 ASP 53 -10.449 2.592 -10.346 443 HB3 ASP 53 HB2 ASP 53 -9.684 1.700 -11.679 444 H ASP 54 H ASP 54 -7.808 4.124 -10.452 445 HA ASP 54 HA ASP 54 -6.093 3.813 -12.631 446 HB2 ASP 54 HB1 ASP 54 -6.769 5.996 -11.816 447 HB3 ASP 54 HB2 ASP 54 -5.971 5.717 -10.254 448 H LEU 55 H LEU 55 -5.180 3.827 -9.174 449 HA LEU 55 HA LEU 55 -2.417 3.207 -9.590 450 HB2 LEU 55 HB1 LEU 55 -4.205 3.038 -7.137 451 HB3 LEU 55 HB2 LEU 55 -2.425 2.976 -7.124 452 HG LEU 55 HG LEU 55 -4.080 5.315 -8.146 453 HD11 LEU 55 HD11 LEU 55 -3.374 6.479 -6.080 454 HD12 LEU 55 HD12 LEU 55 -4.324 5.024 -5.707 455 HD13 LEU 55 HD13 LEU 55 -2.554 5.000 -5.531 456 HD21 LEU 55 HD21 LEU 55 -1.941 6.571 -8.102 457 HD22 LEU 55 HD22 LEU 55 -1.093 5.098 -7.581 458 HD23 LEU 55 HD23 LEU 55 -1.844 5.171 -9.193 459 H MET 56 H MET 56 -5.256 1.138 -8.693 460 HA MET 56 HA MET 56 -3.808 -1.294 -8.581 461 HB2 MET 56 HB1 MET 56 -6.679 -0.624 -9.198 462 HB3 MET 56 HB2 MET 56 -6.088 -2.299 -9.288 463 HG2 MET 56 HG1 MET 56 -5.935 -0.502 -6.858 464 HG3 MET 56 HG2 MET 56 -7.147 -1.767 -7.128 465 HE1 MET 56 HE1 MET 56 -3.999 -2.291 -4.447 466 HE2 MET 56 HE2 MET 56 -4.206 -0.775 -5.364 467 HE3 MET 56 HE3 MET 56 -5.603 -1.515 -4.547 468 H LYS 57 H LYS 57 -5.249 0.328 -11.461 469 HA LYS 57 HA LYS 57 -4.499 -1.650 -13.369 470 HB2 LYS 57 HB1 LYS 57 -5.407 1.179 -13.451 471 HB3 LYS 57 HB2 LYS 57 -4.480 0.609 -14.860 472 HG2 LYS 57 HG1 LYS 57 -6.792 0.242 -15.351 473 HG3 LYS 57 HG2 LYS 57 -6.078 -1.350 -14.998 474 HD2 LYS 57 HD1 LYS 57 -6.988 -1.144 -12.657 475 HD3 LYS 57 HD2 LYS 57 -7.848 0.322 -13.186 476 HE2 LYS 57 HE1 LYS 57 -9.104 -0.949 -14.837 477 HE3 LYS 57 HE2 LYS 57 -8.160 -2.412 -14.485 478 HZ1 LYS 57 HZ1 LYS 57 -10.281 -2.437 -13.387 479 HZ2 LYS 57 HZ2 LYS 57 -9.068 -2.388 -12.271 480 HZ3 LYS 57 HZ3 LYS 57 -9.943 -1.029 -12.599 481 H SER 58 H SER 58 -2.736 1.152 -12.019 482 HA SER 58 HA SER 58 -0.412 0.828 -13.636 483 HB2 SER 58 HB1 SER 58 -1.070 2.864 -12.268 484 HB3 SER 58 HB2 SER 58 -0.462 1.992 -10.840 485 HG SER 58 HG SER 58 1.147 3.297 -11.838 486 H LEU 59 H LEU 59 -1.386 -0.876 -10.625 487 HA LEU 59 HA LEU 59 1.116 -2.339 -10.468 488 HB2 LEU 59 HB1 LEU 59 -1.637 -3.098 -9.436 489 HB3 LEU 59 HB2 LEU 59 -0.098 -3.875 -8.997 490 HG LEU 59 HG LEU 59 -0.944 -1.048 -8.301 491 HD11 LEU 59 HD11 LEU 59 -1.073 -1.960 -5.999 492 HD12 LEU 59 HD12 LEU 59 -2.177 -2.823 -7.096 493 HD13 LEU 59 HD13 LEU 59 -0.636 -3.572 -6.613 494 HD21 LEU 59 HD21 LEU 59 1.063 -0.991 -6.861 495 HD22 LEU 59 HD22 LEU 59 1.537 -2.592 -7.468 496 HD23 LEU 59 HD23 LEU 59 1.498 -1.197 -8.572 497 H ASP 60 H ASP 60 -2.087 -2.948 -11.930 498 HA ASP 60 HA ASP 60 -1.920 -5.589 -12.765 499 HB2 ASP 60 HB1 ASP 60 -3.577 -3.355 -13.117 500 HB3 ASP 60 HB2 ASP 60 -3.115 -3.819 -14.770 501 H LYS 61 H LYS 61 -0.867 -2.703 -14.520 502 HA LYS 61 HA LYS 61 0.137 -3.648 -16.890 503 HB2 LYS 61 HB1 LYS 61 0.196 -1.320 -15.204 504 HB3 LYS 61 HB2 LYS 61 1.841 -1.582 -15.833 505 HG2 LYS 61 HG1 LYS 61 -0.668 -1.366 -17.510 506 HG3 LYS 61 HG2 LYS 61 0.503 -0.057 -17.228 507 HD2 LYS 61 HD1 LYS 61 1.116 -2.687 -18.623 508 HD3 LYS 61 HD2 LYS 61 0.786 -1.140 -19.439 509 HE2 LYS 61 HE1 LYS 61 2.931 -0.509 -19.202 510 HE3 LYS 61 HE2 LYS 61 2.846 -0.757 -17.445 511 HZ1 LYS 61 HZ1 LYS 61 4.534 -2.111 -18.453 512 HZ2 LYS 61 HZ2 LYS 61 3.351 -3.065 -17.809 513 HZ3 LYS 61 HZ3 LYS 61 3.430 -2.835 -19.441 514 H ASN 62 H ASN 62 1.692 -4.078 -13.749 515 HA ASN 62 HA ASN 62 4.153 -5.111 -15.020 516 HB2 ASN 62 HB1 ASN 62 3.921 -2.681 -13.267 517 HB3 ASN 62 HB2 ASN 62 5.410 -3.649 -13.244 518 HD21 ASN 62 HD21 ASN 62 6.540 -3.995 -15.259 519 HD22 ASN 62 HD22 ASN 62 6.341 -2.902 -16.614 520 H SER 63 H SER 63 1.927 -6.197 -13.572 521 HA SER 63 HA SER 63 1.991 -7.038 -11.021 522 HB2 SER 63 HB1 SER 63 1.219 -8.434 -13.618 523 HB3 SER 63 HB2 SER 63 0.793 -9.087 -12.017 524 HG SER 63 HG SER 63 -0.896 -7.848 -12.953 525 H ASP 64 H ASP 64 4.329 -8.279 -13.365 526 HA ASP 64 HA ASP 64 4.493 -10.881 -11.904 527 HB2 ASP 64 HB1 ASP 64 4.956 -10.142 -14.810 528 HB3 ASP 64 HB2 ASP 64 5.424 -11.711 -14.116 529 H GLN 65 H GLN 65 5.887 -8.047 -11.954 530 HA GLN 65 HA GLN 65 8.694 -8.911 -11.601 531 HB2 GLN 65 HB1 GLN 65 7.163 -6.283 -11.664 532 HB3 GLN 65 HB2 GLN 65 8.881 -6.383 -11.210 533 HG2 GLN 65 HG1 GLN 65 9.423 -7.310 -13.421 534 HG3 GLN 65 HG2 GLN 65 7.707 -7.261 -13.876 535 HE21 GLN 65 HE12 GLN 65 10.014 -4.918 -12.298 536 HE22 GLN 65 HE22 GLN 65 9.568 -3.578 -13.329 537 H GLU 66 H GLU 66 9.775 -8.480 -9.581 538 HA GLU 66 HA GLU 66 8.131 -8.312 -7.185 539 HB2 GLU 66 HB1 GLU 66 11.137 -8.311 -7.595 540 HB3 GLU 66 HB2 GLU 66 10.341 -8.262 -6.004 541 HG2 GLU 66 HG1 GLU 66 9.224 -10.439 -6.566 542 HG3 GLU 66 HG2 GLU 66 10.183 -10.497 -8.061 543 H ILE 67 H ILE 67 8.111 -6.714 -5.686 544 HA ILE 67 HA ILE 67 9.420 -4.120 -6.233 545 HB ILE 67 HB ILE 67 7.283 -3.373 -4.732 546 HG12 ILE 67 HG13 ILE 67 6.152 -5.435 -6.633 547 HG13 ILE 67 HG12 ILE 67 6.076 -5.458 -4.856 548 HG21 ILE 67 HG21 ILE 67 6.469 -2.293 -6.781 549 HG22 ILE 67 HG22 ILE 67 8.242 -2.224 -6.654 550 HG23 ILE 67 HG23 ILE 67 7.472 -3.393 -7.755 551 HD11 ILE 67 HD11 ILE 67 3.950 -4.654 -5.829 552 HD12 ILE 67 HD12 ILE 67 4.750 -3.376 -4.886 553 HD13 ILE 67 HD13 ILE 67 4.829 -3.354 -6.664 554 H ASP 68 H ASP 68 9.712 -2.795 -4.400 555 HA ASP 68 HA ASP 68 10.384 -4.274 -1.934 556 HB2 ASP 68 HB1 ASP 68 12.037 -2.555 -1.570 557 HB3 ASP 68 HB2 ASP 68 12.207 -3.202 -3.216 558 H PHE 69 H PHE 69 10.428 -2.909 0.080 559 HA PHE 69 HA PHE 69 7.807 -2.063 0.731 560 HB2 PHE 69 HB1 PHE 69 9.415 -3.080 2.278 561 HB3 PHE 69 HB2 PHE 69 10.438 -1.637 2.181 562 HD1 PHE 69 HD1 PHE 69 6.904 -2.635 3.005 563 HD2 PHE 69 HD2 PHE 69 10.214 -0.022 3.844 564 HE1 PHE 69 HE1 PHE 69 5.554 -1.474 4.740 565 HE2 PHE 69 HE2 PHE 69 8.854 1.174 5.541 566 HZ PHE 69 HZ PHE 69 6.495 0.486 5.943 567 H LYS 70 H LYS 70 10.397 -0.174 -0.686 568 HA LYS 70 HA LYS 70 9.445 2.460 -0.019 569 HB2 LYS 70 HB1 LYS 70 11.666 2.129 -0.832 570 HB3 LYS 70 HB2 LYS 70 11.083 1.226 -2.250 571 HG2 LYS 70 HG1 LYS 70 10.119 3.323 -3.157 572 HG3 LYS 70 HG2 LYS 70 10.783 4.207 -1.762 573 HD2 LYS 70 HD1 LYS 70 12.223 4.400 -3.737 574 HD3 LYS 70 HD2 LYS 70 13.037 3.583 -2.381 575 HE2 LYS 70 HE1 LYS 70 13.377 2.771 -4.841 576 HE3 LYS 70 HE2 LYS 70 13.249 1.608 -3.504 577 HZ1 LYS 70 HZ1 LYS 70 11.986 0.916 -5.410 578 HZ2 LYS 70 HZ2 LYS 70 10.986 1.223 -4.140 579 HZ3 LYS 70 HZ3 LYS 70 11.103 2.304 -5.381 580 H GLU 71 H GLU 71 9.047 0.441 -2.998 581 HA GLU 71 HA GLU 71 7.137 2.075 -4.274 582 HB2 GLU 71 HB1 GLU 71 7.727 -0.888 -4.319 583 HB3 GLU 71 HB2 GLU 71 6.413 -0.187 -5.294 584 HG2 GLU 71 HG1 GLU 71 8.839 1.407 -5.559 585 HG3 GLU 71 HG2 GLU 71 9.172 -0.293 -5.952 586 H TYR 72 H TYR 72 6.753 -0.363 -1.662 587 HA TYR 72 HA TYR 72 3.875 -0.204 -1.734 588 HB2 TYR 72 HB1 TYR 72 5.091 -2.123 -0.840 589 HB3 TYR 72 HB2 TYR 72 5.724 -1.120 0.476 590 HD1 TYR 72 HD2 TYR 72 2.273 -1.533 -1.013 591 HD2 TYR 72 HD1 TYR 72 4.726 -1.645 2.520 592 HE1 TYR 72 HE2 TYR 72 0.320 -2.271 0.316 593 HE2 TYR 72 HE1 TYR 72 2.766 -2.376 3.864 594 HH TYR 72 HH TYR 72 -0.460 -2.960 2.319 595 H SER 73 H SER 73 6.327 1.549 0.226 596 HA SER 73 HA SER 73 4.392 2.875 1.875 597 HB2 SER 73 HB1 SER 73 6.238 4.202 2.647 598 HB3 SER 73 HB2 SER 73 6.795 2.524 2.441 599 HG SER 73 HG SER 73 8.266 4.059 1.587 600 H VAL 74 H VAL 74 6.021 3.882 -1.212 601 HA VAL 74 HA VAL 74 4.643 6.400 -1.218 602 HB VAL 74 HB VAL 74 5.255 6.711 -3.494 603 HG11 VAL 74 HG11 VAL 74 7.703 6.656 -3.246 604 HG12 VAL 74 HG12 VAL 74 6.896 7.164 -1.747 605 HG13 VAL 74 HG13 VAL 74 7.534 5.509 -1.898 606 HG21 VAL 74 HG21 VAL 74 6.557 5.125 -4.845 607 HG22 VAL 74 HG22 VAL 74 6.360 3.901 -3.577 608 HG23 VAL 74 HG23 VAL 74 4.940 4.506 -4.463 609 H PHE 75 H PHE 75 3.740 3.146 -2.421 610 HA PHE 75 HA PHE 75 1.497 4.164 -3.941 611 HB2 PHE 75 HB1 PHE 75 2.708 2.011 -4.376 612 HB3 PHE 75 HB2 PHE 75 1.956 1.356 -2.911 613 HD1 PHE 75 HD2 PHE 75 -0.593 1.116 -2.826 614 HD2 PHE 75 HD1 PHE 75 1.504 2.208 -6.426 615 HE1 PHE 75 HE2 PHE 75 -2.468 0.237 -4.196 616 HE2 PHE 75 HE1 PHE 75 -0.408 1.391 -7.785 617 HZ PHE 75 HZ PHE 75 -2.374 0.358 -6.671 618 H LEU 76 H LEU 76 1.716 2.550 -0.654 619 HA LEU 76 HA LEU 76 -0.983 2.850 0.054 620 HB2 LEU 76 HB1 LEU 76 1.564 3.025 1.676 621 HB3 LEU 76 HB2 LEU 76 -0.043 3.190 2.426 622 HG LEU 76 HG LEU 76 1.070 0.733 1.030 623 HD11 LEU 76 HD11 LEU 76 0.955 -0.207 3.323 624 HD12 LEU 76 HD12 LEU 76 2.000 1.235 3.274 625 HD13 LEU 76 HD13 LEU 76 0.351 1.353 3.935 626 HD21 LEU 76 HD21 LEU 76 -1.003 -0.405 1.754 627 HD22 LEU 76 HD22 LEU 76 -1.635 1.141 2.368 628 HD23 LEU 76 HD23 LEU 76 -1.359 0.921 0.623 629 H THR 77 H THR 77 1.687 5.256 0.315 630 HA THR 77 HA THR 77 0.098 7.279 1.593 631 HB THR 77 HB THR 77 2.662 7.532 -0.014 632 HG1 THR 77 HG1 THR 77 3.540 7.421 2.108 633 HG21 THR 77 HG21 THR 77 3.018 9.574 1.348 634 HG22 THR 77 HG22 THR 77 1.543 9.711 0.364 635 HG23 THR 77 HG23 THR 77 1.425 9.344 2.102 636 H MET 78 H MET 78 1.160 6.882 -1.819 637 HA MET 78 HA MET 78 -0.247 9.050 -2.938 638 HB2 MET 78 HB1 MET 78 1.525 7.829 -4.061 639 HB3 MET 78 HB2 MET 78 0.538 6.348 -4.070 640 HG2 MET 78 HG1 MET 78 -0.864 7.137 -5.749 641 HG3 MET 78 HG2 MET 78 -0.437 8.830 -5.454 642 HE1 MET 78 HE1 MET 78 2.341 5.734 -7.550 643 HE2 MET 78 HE2 MET 78 1.973 5.690 -5.810 644 HE3 MET 78 HE3 MET 78 0.686 5.383 -7.001 645 H LEU 79 H LEU 79 -1.346 5.717 -2.310 646 HA LEU 79 HA LEU 79 -3.915 5.971 -3.548 647 HB2 LEU 79 HB1 LEU 79 -2.789 3.853 -3.230 648 HB3 LEU 79 HB2 LEU 79 -2.778 4.085 -1.466 649 HG LEU 79 HG LEU 79 -5.195 3.871 -1.394 650 HD11 LEU 79 HD11 LEU 79 -6.512 3.203 -3.382 651 HD12 LEU 79 HD12 LEU 79 -5.780 4.805 -3.601 652 HD13 LEU 79 HD13 LEU 79 -5.064 3.385 -4.397 653 HD21 LEU 79 HD21 LEU 79 -5.341 1.472 -1.999 654 HD22 LEU 79 HD22 LEU 79 -3.867 1.636 -2.984 655 HD23 LEU 79 HD23 LEU 79 -3.787 1.850 -1.219 656 H CYS 80 H CYS 80 -2.847 6.340 -0.078 657 HA CYS 80 HA CYS 80 -5.405 7.061 0.907 658 HB2 CYS 80 HB1 CYS 80 -3.408 6.503 2.275 659 HB3 CYS 80 HB2 CYS 80 -2.685 8.065 1.818 660 HG CYS 80 HG CYS 80 -3.616 8.200 4.270 661 H MET 81 H MET 81 -2.858 9.175 -0.524 662 HA MET 81 HA MET 81 -4.440 11.557 -0.379 663 HB2 MET 81 HB1 MET 81 -1.844 10.786 -1.654 664 HB3 MET 81 HB2 MET 81 -2.633 12.303 -2.142 665 HG2 MET 81 HG1 MET 81 -1.161 12.906 -0.421 666 HG3 MET 81 HG2 MET 81 -2.772 12.883 0.317 667 HE1 MET 81 HE1 MET 81 -2.465 10.775 3.332 668 HE2 MET 81 HE2 MET 81 -2.802 12.412 2.726 669 HE3 MET 81 HE3 MET 81 -3.621 11.008 2.000 670 H ALA 82 H ALA 82 -4.749 8.887 -2.523 671 HA ALA 82 HA ALA 82 -5.659 10.337 -4.823 672 HB1 ALA 82 HB1 ALA 82 -6.482 8.145 -5.588 673 HB2 ALA 82 HB2 ALA 82 -4.825 8.037 -4.950 674 HB3 ALA 82 HB3 ALA 82 -6.196 7.473 -3.966 675 H TYR 83 H TYR 83 -7.114 9.916 -1.774 676 HA TYR 83 HA TYR 83 -9.573 11.180 -2.608 677 HB2 TYR 83 HB1 TYR 83 -11.086 9.428 -1.772 678 HB3 TYR 83 HB2 TYR 83 -10.182 8.961 -3.222 679 HD1 TYR 83 HD1 TYR 83 -10.707 8.282 0.376 680 HD2 TYR 83 HD2 TYR 83 -8.595 7.161 -3.196 681 HE1 TYR 83 HE1 TYR 83 -9.651 6.403 1.604 682 HE2 TYR 83 HE2 TYR 83 -7.670 5.179 -2.025 683 HH TYR 83 HH TYR 83 -7.309 4.176 0.001 684 H ASN 84 H ASN 84 -7.441 11.944 -0.931 685 HA ASN 84 HA ASN 84 -8.338 11.684 1.822 686 HB2 ASN 84 HB1 ASN 84 -6.338 12.766 2.457 687 HB3 ASN 84 HB2 ASN 84 -5.949 11.610 1.166 688 HD21 ASN 84 HD21 ASN 84 -4.499 14.043 2.089 689 HD22 ASN 84 HD22 ASN 84 -4.321 15.049 0.663 690 H ASP 85 H ASP 85 -9.872 13.326 -0.292 691 HA ASP 85 HA ASP 85 -10.366 15.858 0.718 692 HB2 ASP 85 HB1 ASP 85 -12.738 15.337 -0.047 693 HB3 ASP 85 HB2 ASP 85 -11.453 15.074 -1.244 694 H PHE 86 H PHE 86 -11.016 12.793 2.340 695 HA PHE 86 HA PHE 86 -12.735 13.523 4.401 696 HB2 PHE 86 HB1 PHE 86 -10.233 11.797 4.444 697 HB3 PHE 86 HB2 PHE 86 -11.476 11.798 5.707 698 HD1 PHE 86 HD1 PHE 86 -13.983 11.707 4.080 699 HD2 PHE 86 HD2 PHE 86 -10.235 9.649 3.578 700 HE1 PHE 86 HE1 PHE 86 -15.186 9.738 3.155 701 HE2 PHE 86 HE2 PHE 86 -11.438 7.674 2.675 702 HZ PHE 86 HZ PHE 86 -13.919 7.692 2.528 703 H PHE 87 H PHE 87 -9.503 14.769 3.915 704 HA PHE 87 HA PHE 87 -9.261 15.632 6.734 705 HB2 PHE 87 HB1 PHE 87 -7.209 15.778 4.507 706 HB3 PHE 87 HB2 PHE 87 -6.934 16.029 6.239 707 HD1 PHE 87 HD2 PHE 87 -8.695 13.479 7.061 708 HD2 PHE 87 HD1 PHE 87 -5.411 14.182 4.367 709 HE1 PHE 87 HE2 PHE 87 -8.107 11.066 7.140 710 HE2 PHE 87 HE1 PHE 87 -4.815 11.779 4.465 711 HZ PHE 87 HZ PHE 87 -6.204 10.206 5.795 712 H LEU 88 H LEU 88 -10.624 16.934 3.960 713 HA LEU 88 HA LEU 88 -9.428 19.634 4.272 714 HB2 LEU 88 HB1 LEU 88 -9.741 18.167 1.628 715 HB3 LEU 88 HB2 LEU 88 -8.931 19.726 1.917 716 HG LEU 88 HG LEU 88 -7.965 17.026 2.892 717 HD11 LEU 88 HD11 LEU 88 -6.180 17.267 1.193 718 HD12 LEU 88 HD12 LEU 88 -7.790 17.256 0.445 719 HD13 LEU 88 HD13 LEU 88 -6.913 18.791 0.649 720 HD21 LEU 88 HD21 LEU 88 -5.837 18.170 3.444 721 HD22 LEU 88 HD22 LEU 88 -6.549 19.718 2.943 722 HD23 LEU 88 HD23 LEU 88 -7.196 18.852 4.358 723 H GLU 89 H GLU 89 -10.486 21.048 2.479 724 HA GLU 89 HA GLU 89 -13.429 21.029 2.669 725 HB2 GLU 89 HB1 GLU 89 -11.674 23.108 1.336 726 HB3 GLU 89 HB2 GLU 89 -13.277 23.317 2.081 727 HG2 GLU 89 HG1 GLU 89 -11.890 24.430 3.553 728 HG3 GLU 89 HG2 GLU 89 -12.045 22.833 4.314 729 H ASP 90 H ASP 90 -11.045 19.988 0.593 730 HA ASP 90 HA ASP 90 -12.484 19.670 -1.852 731 HB2 ASP 90 HB1 ASP 90 -12.260 21.976 -2.230 732 HB3 ASP 90 HB2 ASP 90 -10.614 22.024 -1.562 733 H ASN 91 H ASN 91 -8.996 20.421 -1.570 734 HA ASN 91 HA ASN 91 -8.024 17.750 -1.745 735 HB2 ASN 91 HB1 ASN 91 -9.369 17.459 -3.645 736 HB3 ASN 91 HB2 ASN 91 -8.985 19.075 -4.278 737 HD21 ASN 91 HD21 ASN 91 -7.607 15.808 -3.751 738 HD22 ASN 91 HD22 ASN 91 -6.478 15.909 -5.093 739 H LYS 92 H LYS 92 -7.493 20.681 -0.879 740 HA LYS 92 HA LYS 92 -4.673 20.876 -1.815 741 HB2 LYS 92 HB1 LYS 92 -6.396 23.217 -0.954 742 HB3 LYS 92 HB2 LYS 92 -4.778 23.266 -1.695 743 HG2 LYS 92 HG1 LYS 92 -7.359 22.427 -3.041 744 HG3 LYS 92 HG2 LYS 92 -6.483 23.958 -3.280 745 HD2 LYS 92 HD1 LYS 92 -4.697 22.873 -4.419 746 HD3 LYS 92 HD2 LYS 92 -5.250 21.261 -3.908 747 HE2 LYS 92 HE1 LYS 92 -6.894 23.092 -5.696 748 HE3 LYS 92 HE2 LYS 92 -5.750 21.888 -6.329 749 HZ1 LYS 92 HZ1 LYS 92 -7.980 21.037 -6.243 750 HZ2 LYS 92 HZ2 LYS 92 -7.012 20.194 -5.209 751 HZ3 LYS 92 HZ3 LYS 92 -8.073 21.310 -4.620 752 HA MET 1 HA MET 1 -14.397 -0.772 12.550 753 HB2 MET 1 HB1 MET 1 -12.114 -1.597 13.664 754 HB3 MET 1 HB2 MET 1 -11.438 -0.539 12.402 755 HG2 MET 1 HG1 MET 1 -13.559 0.242 14.427 756 HG3 MET 1 HG2 MET 1 -11.836 0.643 14.540 757 HE1 MET 1 HE1 MET 1 -15.107 3.023 12.451 758 HE2 MET 1 HE2 MET 1 -15.197 1.249 12.484 759 HE3 MET 1 HE3 MET 1 -15.112 2.167 14.007 760 H GLU 2 H GLU 2 -11.870 0.720 10.439 761 HA GLU 2 HA GLU 2 -12.547 -1.441 8.508 762 HB2 GLU 2 HB1 GLU 2 -12.055 0.643 7.544 763 HB3 GLU 2 HB2 GLU 2 -10.556 0.808 8.489 764 HG2 GLU 2 HG1 GLU 2 -10.086 0.436 6.158 765 HG3 GLU 2 HG2 GLU 2 -9.502 -0.917 7.152 766 H THR 3 H THR 3 -9.142 -1.196 8.794 767 HA THR 3 HA THR 3 -8.995 -3.632 10.511 768 HB THR 3 HB THR 3 -7.393 -4.543 8.984 769 HG1 THR 3 HG1 THR 3 -6.823 -3.335 7.126 770 HG21 THR 3 HG21 THR 3 -8.687 -4.790 6.889 771 HG22 THR 3 HG22 THR 3 -9.734 -4.922 8.317 772 HG23 THR 3 HG23 THR 3 -9.710 -3.417 7.366 773 HA PRO 4 HA PRO 4 -5.664 -1.235 12.352 774 HB2 PRO 4 HB1 PRO 4 -3.322 -2.547 12.591 775 HB3 PRO 4 HB2 PRO 4 -4.849 -3.298 13.158 776 HG2 PRO 4 HG1 PRO 4 -3.427 -3.758 10.529 777 HG3 PRO 4 HG2 PRO 4 -4.062 -4.994 11.663 778 HD2 PRO 4 HD1 PRO 4 -5.438 -4.031 9.435 779 HD3 PRO 4 HD2 PRO 4 -6.245 -4.671 10.898 780 H LEU 5 H LEU 5 -4.458 -1.952 9.023 781 HA LEU 5 HA LEU 5 -2.311 -0.032 9.233 782 HB2 LEU 5 HB1 LEU 5 -2.243 -1.865 7.664 783 HB3 LEU 5 HB2 LEU 5 -3.647 -1.195 6.800 784 HG LEU 5 HG LEU 5 -1.317 -0.973 5.818 785 HD11 LEU 5 HD11 LEU 5 -1.827 1.148 4.681 786 HD12 LEU 5 HD12 LEU 5 -3.255 0.110 4.844 787 HD13 LEU 5 HD13 LEU 5 -3.039 1.506 5.926 788 HD21 LEU 5 HD21 LEU 5 0.018 1.017 6.341 789 HD22 LEU 5 HD22 LEU 5 -1.073 1.375 7.690 790 HD23 LEU 5 HD23 LEU 5 -0.087 -0.107 7.709 791 H GLU 6 H GLU 6 -5.758 0.263 8.200 792 HA GLU 6 HA GLU 6 -5.710 2.994 7.604 793 HB2 GLU 6 HB1 GLU 6 -8.000 3.113 8.404 794 HB3 GLU 6 HB2 GLU 6 -7.731 1.631 7.456 795 HG2 GLU 6 HG1 GLU 6 -8.471 0.375 9.132 796 HG3 GLU 6 HG2 GLU 6 -7.248 1.059 10.227 797 H LYS 7 H LYS 7 -5.243 1.476 10.845 798 HA LYS 7 HA LYS 7 -5.401 4.079 12.118 799 HB2 LYS 7 HB1 LYS 7 -4.220 1.659 13.433 800 HB3 LYS 7 HB2 LYS 7 -4.896 3.126 14.183 801 HG2 LYS 7 HG1 LYS 7 -6.434 0.910 12.793 802 HG3 LYS 7 HG2 LYS 7 -6.418 1.292 14.532 803 HD2 LYS 7 HD1 LYS 7 -7.275 3.598 13.946 804 HD3 LYS 7 HD2 LYS 7 -7.470 3.034 12.269 805 HE2 LYS 7 HE1 LYS 7 -8.888 1.139 13.224 806 HE3 LYS 7 HE2 LYS 7 -8.880 2.036 14.757 807 HZ1 LYS 7 HZ1 LYS 7 -10.788 2.580 13.419 808 HZ2 LYS 7 HZ2 LYS 7 -9.823 3.908 13.592 809 HZ3 LYS 7 HZ3 LYS 7 -9.830 3.074 12.169 810 H ALA 8 H ALA 8 -2.828 2.060 10.839 811 HA ALA 8 HA ALA 8 -0.647 3.645 11.838 812 HB1 ALA 8 HB1 ALA 8 0.637 2.340 10.209 813 HB2 ALA 8 HB2 ALA 8 -0.452 1.302 11.163 814 HB3 ALA 8 HB3 ALA 8 -0.878 1.737 9.491 815 H LEU 9 H LEU 9 -2.187 3.555 8.517 816 HA LEU 9 HA LEU 9 -0.956 5.877 7.547 817 HB2 LEU 9 HB1 LEU 9 -3.238 4.201 6.879 818 HB3 LEU 9 HB2 LEU 9 -3.551 5.912 6.501 819 HG LEU 9 HG LEU 9 -2.639 4.619 4.605 820 HD11 LEU 9 HD11 LEU 9 -0.927 6.267 3.910 821 HD12 LEU 9 HD12 LEU 9 -2.307 7.053 4.705 822 HD13 LEU 9 HD13 LEU 9 -0.784 6.816 5.593 823 HD21 LEU 9 HD21 LEU 9 -0.260 3.955 4.546 824 HD22 LEU 9 HD22 LEU 9 -0.092 4.439 6.246 825 HD23 LEU 9 HD23 LEU 9 -1.153 3.080 5.805 826 H THR 10 H THR 10 -4.012 5.744 9.553 827 HA THR 10 HA THR 10 -4.341 8.570 9.573 828 HB THR 10 HB THR 10 -5.484 8.165 11.869 829 HG1 THR 10 HG1 THR 10 -6.180 6.024 12.020 830 HG21 THR 10 HG21 THR 10 -7.482 7.400 10.634 831 HG22 THR 10 HG22 THR 10 -6.585 8.627 9.706 832 HG23 THR 10 HG23 THR 10 -6.451 6.908 9.269 833 H THR 11 H THR 11 -2.464 6.483 11.829 834 HA THR 11 HA THR 11 -1.541 8.573 13.499 835 HB THR 11 HB THR 11 -0.178 5.980 12.712 836 HG1 THR 11 HG1 THR 11 -1.117 5.377 14.735 837 HG21 THR 11 HG21 THR 11 1.056 6.212 14.856 838 HG22 THR 11 HG22 THR 11 1.439 7.549 13.753 839 HG23 THR 11 HG23 THR 11 0.311 7.805 15.105 840 H MET 12 H MET 12 -0.390 7.564 10.238 841 HA MET 12 HA MET 12 1.939 9.253 10.315 842 HB2 MET 12 HB1 MET 12 0.384 8.204 7.932 843 HB3 MET 12 HB2 MET 12 1.933 9.074 7.831 844 HG2 MET 12 HG1 MET 12 3.074 7.305 9.005 845 HG3 MET 12 HG2 MET 12 1.546 6.480 9.352 846 HE1 MET 12 HE1 MET 12 4.119 6.248 5.587 847 HE2 MET 12 HE2 MET 12 3.839 7.809 6.393 848 HE3 MET 12 HE3 MET 12 4.607 6.472 7.283 849 H VAL 13 H VAL 13 -1.317 9.757 8.813 850 HA VAL 13 HA VAL 13 -0.557 12.368 7.885 851 HB VAL 13 HB VAL 13 -2.858 12.707 7.200 852 HG11 VAL 13 HG11 VAL 13 -3.025 10.819 5.606 853 HG12 VAL 13 HG12 VAL 13 -1.350 11.395 5.757 854 HG13 VAL 13 HG13 VAL 13 -1.856 9.899 6.578 855 HG21 VAL 13 HG21 VAL 13 -4.593 10.989 7.557 856 HG22 VAL 13 HG22 VAL 13 -3.467 10.069 8.576 857 HG23 VAL 13 HG23 VAL 13 -4.029 11.677 9.095 858 H THR 14 H THR 14 -2.318 11.287 10.838 859 HA THR 14 HA THR 14 -3.062 13.872 11.740 860 HB THR 14 HB THR 14 -2.870 12.898 14.076 861 HG1 THR 14 HG1 THR 14 -2.602 10.640 14.133 862 HG21 THR 14 HG21 THR 14 -4.812 11.423 13.786 863 HG22 THR 14 HG22 THR 14 -4.961 12.902 12.810 864 HG23 THR 14 HG23 THR 14 -4.502 11.365 12.036 865 H THR 15 H THR 15 0.043 12.199 11.805 866 HA THR 15 HA THR 15 1.167 14.057 13.748 867 HB THR 15 HB THR 15 2.540 11.881 12.141 868 HG1 THR 15 HG1 THR 15 2.309 10.776 14.153 869 HG21 THR 15 HG21 THR 15 4.260 12.063 13.930 870 HG22 THR 15 HG22 THR 15 4.085 13.604 13.059 871 HG23 THR 15 HG23 THR 15 3.347 13.399 14.667 872 H PHE 16 H PHE 16 1.824 13.322 10.254 873 HA PHE 16 HA PHE 16 3.426 15.507 9.615 874 HB2 PHE 16 HB1 PHE 16 2.935 13.603 8.177 875 HB3 PHE 16 HB2 PHE 16 1.248 14.121 8.024 876 HD1 PHE 16 HD2 PHE 16 0.650 16.095 6.662 877 HD2 PHE 16 HD1 PHE 16 4.692 14.623 6.843 878 HE1 PHE 16 HE2 PHE 16 1.237 17.451 4.673 879 HE2 PHE 16 HE1 PHE 16 5.239 15.878 4.768 880 HZ PHE 16 HZ PHE 16 3.526 17.344 3.712 881 H HIS 17 H HIS 17 -0.208 15.529 9.763 882 HA HIS 17 HA HIS 17 -0.484 18.248 9.007 883 HB2 HIS 17 HB1 HIS 17 -2.243 16.495 10.743 884 HB3 HIS 17 HB2 HIS 17 -2.709 18.092 10.126 885 HD1 HIS 17 HD1 HIS 17 -4.351 15.468 9.421 886 HD2 HIS 17 HD2 HIS 17 -1.381 17.257 7.054 887 HE1 HIS 17 HE1 HIS 17 -4.764 14.689 7.029 888 HE2 HIS 17 HE2 HIS 17 -2.950 15.750 5.560 889 H LYS 18 H LYS 18 0.852 17.088 12.073 890 HA LYS 18 HA LYS 18 0.211 19.461 13.584 891 HB2 LYS 18 HB1 LYS 18 2.728 17.793 13.832 892 HB3 LYS 18 HB2 LYS 18 1.950 18.793 15.081 893 HG2 LYS 18 HG1 LYS 18 0.624 16.334 13.959 894 HG3 LYS 18 HG2 LYS 18 1.802 16.253 15.290 895 HD2 LYS 18 HD1 LYS 18 0.395 17.698 16.667 896 HD3 LYS 18 HD2 LYS 18 -0.760 17.888 15.326 897 HE2 LYS 18 HE1 LYS 18 -1.101 15.421 15.282 898 HE3 LYS 18 HE2 LYS 18 0.032 15.247 16.639 899 HZ1 LYS 18 HZ1 LYS 18 -2.239 15.203 17.370 900 HZ2 LYS 18 HZ2 LYS 18 -1.472 16.528 17.980 901 HZ3 LYS 18 HZ3 LYS 18 -2.525 16.691 16.722 902 H TYR 19 H TYR 19 2.530 18.777 11.064 903 HA TYR 19 HA TYR 19 4.160 21.209 11.643 904 HB2 TYR 19 HB1 TYR 19 4.876 18.638 10.176 905 HB3 TYR 19 HB2 TYR 19 5.979 19.973 10.547 906 HD1 TYR 19 HD2 TYR 19 4.136 17.090 11.924 907 HD2 TYR 19 HD1 TYR 19 6.940 20.228 12.786 908 HE1 TYR 19 HE2 TYR 19 4.731 15.954 14.050 909 HE2 TYR 19 HE1 TYR 19 7.530 19.123 14.928 910 HH TYR 19 HH TYR 19 5.940 16.077 15.986 911 H SER 20 H SER 20 2.272 19.515 9.195 912 HA SER 20 HA SER 20 2.750 21.586 7.145 913 HB2 SER 20 HB1 SER 20 2.578 19.283 6.428 914 HB3 SER 20 HB2 SER 20 1.050 19.070 7.317 915 HG SER 20 HG SER 20 0.736 19.376 5.072 916 H GLY 21 H GLY 21 0.504 20.920 9.765 917 HA2 GLY 21 HA2 GLY 21 -0.892 22.860 8.609 918 H ARG 22 H ARG 22 0.467 24.167 8.553 919 HA ARG 22 HA ARG 22 -0.043 26.244 10.521 920 HB2 ARG 22 HB1 ARG 22 2.434 26.424 11.088 921 HB3 ARG 22 HB2 ARG 22 1.466 25.158 11.880 922 HG2 ARG 22 HG1 ARG 22 2.445 23.445 10.517 923 HG3 ARG 22 HG2 ARG 22 3.231 24.646 9.465 924 HD2 ARG 22 HD1 ARG 22 3.881 24.279 12.414 925 HD3 ARG 22 HD2 ARG 22 4.788 23.521 11.089 926 HE ARG 22 HE ARG 22 4.543 26.298 10.595 927 HH11 ARG 22 HH12 ARG 22 6.412 24.214 12.754 928 HH12 ARG 22 HH11 ARG 22 7.688 25.394 12.912 929 HH21 ARG 22 HH22 ARG 22 6.166 27.731 10.834 930 HH22 ARG 22 HH21 ARG 22 7.547 27.357 11.839 931 H GLU 23 H GLU 23 2.418 25.422 7.987 932 HA GLU 23 HA GLU 23 1.295 27.362 6.215 933 HB2 GLU 23 HB1 GLU 23 3.053 28.910 5.952 934 HB3 GLU 23 HB2 GLU 23 2.556 28.893 7.661 935 HG2 GLU 23 HG1 GLU 23 4.923 27.261 6.863 936 HG3 GLU 23 HG2 GLU 23 5.092 29.029 6.909 937 H GLY 24 H GLY 24 2.660 27.453 4.068 938 HA2 GLY 24 HA2 GLY 24 2.476 26.413 2.613 939 H SER 25 H SER 25 1.347 23.895 1.536 940 HA SER 25 HA SER 25 -1.384 24.683 2.365 941 HB2 SER 25 HB1 SER 25 -0.592 24.084 -0.072 942 HB3 SER 25 HB2 SER 25 -0.814 22.408 0.483 943 HG SER 25 HG SER 25 -2.727 23.303 -0.426 944 H LYS 26 H LYS 26 -2.906 22.500 2.728 945 HA LYS 26 HA LYS 26 -1.891 21.717 5.316 946 HB2 LYS 26 HB1 LYS 26 -4.425 20.879 3.865 947 HB3 LYS 26 HB2 LYS 26 -4.082 20.625 5.594 948 HG2 LYS 26 HG1 LYS 26 -3.782 23.146 5.781 949 HG3 LYS 26 HG2 LYS 26 -4.433 23.264 4.129 950 HD2 LYS 26 HD1 LYS 26 -5.847 22.201 6.590 951 HD3 LYS 26 HD2 LYS 26 -6.187 23.718 5.724 952 HE2 LYS 26 HE1 LYS 26 -6.641 20.901 4.697 953 HE3 LYS 26 HE2 LYS 26 -7.885 22.056 5.225 954 HZ1 LYS 26 HZ1 LYS 26 -7.696 21.978 2.848 955 HZ2 LYS 26 HZ2 LYS 26 -7.258 23.465 3.406 956 HZ3 LYS 26 HZ3 LYS 26 -6.103 22.393 2.917 957 H LEU 27 H LEU 27 -1.167 20.468 2.415 958 HA LEU 27 HA LEU 27 -0.572 17.730 3.383 959 HB2 LEU 27 HB1 LEU 27 -1.064 18.703 0.548 960 HB3 LEU 27 HB2 LEU 27 -0.836 17.020 1.080 961 HG LEU 27 HG LEU 27 -3.221 18.791 1.729 962 HD11 LEU 27 HD11 LEU 27 -4.387 17.286 0.146 963 HD12 LEU 27 HD12 LEU 27 -3.024 18.118 -0.644 964 HD13 LEU 27 HD13 LEU 27 -2.863 16.414 -0.152 965 HD21 LEU 27 HD21 LEU 27 -4.307 16.744 2.608 966 HD22 LEU 27 HD22 LEU 27 -2.803 15.836 2.343 967 HD23 LEU 27 HD23 LEU 27 -2.851 17.155 3.539 968 H THR 28 H THR 28 0.929 20.696 2.747 969 HA THR 28 HA THR 28 3.504 19.352 2.137 970 HB THR 28 HB THR 28 4.291 21.305 0.946 971 HG1 THR 28 HG1 THR 28 2.803 22.971 0.433 972 HG21 THR 28 HG21 THR 28 2.901 21.169 -1.093 973 HG22 THR 28 HG22 THR 28 3.181 19.564 -0.385 974 HG23 THR 28 HG23 THR 28 1.616 20.381 -0.154 975 H LEU 29 H LEU 29 5.451 20.629 2.821 976 HA LEU 29 HA LEU 29 5.232 22.651 4.872 977 HB2 LEU 29 HB1 LEU 29 5.928 21.525 6.771 978 HB3 LEU 29 HB2 LEU 29 4.723 20.430 6.052 979 HG LEU 29 HG LEU 29 7.738 20.109 5.943 980 HD11 LEU 29 HD11 LEU 29 7.321 18.177 7.441 981 HD12 LEU 29 HD12 LEU 29 6.744 19.694 8.169 982 HD13 LEU 29 HD13 LEU 29 5.583 18.557 7.442 983 HD21 LEU 29 HD21 LEU 29 7.314 17.869 4.983 984 HD22 LEU 29 HD22 LEU 29 5.574 18.222 4.946 985 HD23 LEU 29 HD23 LEU 29 6.695 19.154 3.926 986 H SER 30 H SER 30 7.617 23.166 5.799 987 HA SER 30 HA SER 30 9.234 23.318 3.383 988 HB2 SER 30 HB1 SER 30 10.633 24.856 4.565 989 HB3 SER 30 HB2 SER 30 8.939 25.233 4.962 990 HG SER 30 HG SER 30 10.305 25.227 6.810 991 H ARG 31 H ARG 31 11.487 22.649 3.105 992 HA ARG 31 HA ARG 31 12.175 20.110 4.078 993 HB2 ARG 31 HB1 ARG 31 14.555 21.707 3.657 994 HB3 ARG 31 HB2 ARG 31 13.995 20.215 2.863 995 HG2 ARG 31 HG1 ARG 31 12.816 22.742 1.892 996 HG3 ARG 31 HG2 ARG 31 14.555 22.501 1.598 997 HD2 ARG 31 HD1 ARG 31 12.324 20.653 0.698 998 HD3 ARG 31 HD2 ARG 31 13.193 21.821 -0.322 999 HE ARG 31 HE ARG 31 15.250 20.362 0.552 1000 HH11 ARG 31 HH12 ARG 31 12.166 19.212 -0.761 1001 HH12 ARG 31 HH11 ARG 31 12.845 17.696 -1.291 1002 HH21 ARG 31 HH22 ARG 31 16.041 18.369 -0.105 1003 HH22 ARG 31 HH21 ARG 31 15.001 17.229 -0.925 1004 H LYS 32 H LYS 32 12.794 23.270 5.537 1005 HA LYS 32 HA LYS 32 14.661 22.444 7.546 1006 HB2 LYS 32 HB1 LYS 32 14.079 24.773 6.488 1007 HB3 LYS 32 HB2 LYS 32 12.842 24.839 7.767 1008 HG2 LYS 32 HG1 LYS 32 14.432 24.883 9.486 1009 HG3 LYS 32 HG2 LYS 32 15.699 24.151 8.472 1010 HD2 LYS 32 HD1 LYS 32 15.232 26.456 7.094 1011 HD3 LYS 32 HD2 LYS 32 14.869 26.994 8.750 1012 HE2 LYS 32 HE1 LYS 32 17.163 27.481 8.427 1013 HE3 LYS 32 HE2 LYS 32 17.137 26.002 9.411 1014 HZ1 LYS 32 HZ1 LYS 32 18.717 25.852 7.623 1015 HZ2 LYS 32 HZ2 LYS 32 17.516 24.742 7.411 1016 HZ3 LYS 32 HZ3 LYS 32 17.540 26.115 6.498 1017 H GLU 33 H GLU 33 11.114 22.696 7.485 1018 HA GLU 33 HA GLU 33 10.721 21.984 10.266 1019 HB2 GLU 33 HB1 GLU 33 9.119 23.293 8.855 1020 HB3 GLU 33 HB2 GLU 33 8.823 21.826 7.893 1021 HG2 GLU 33 HG1 GLU 33 7.020 21.900 9.367 1022 HG3 GLU 33 HG2 GLU 33 8.131 20.732 10.113 1023 H LEU 34 H LEU 34 10.647 20.130 7.125 1024 HA LEU 34 HA LEU 34 9.728 17.712 8.293 1025 HB2 LEU 34 HB1 LEU 34 9.633 18.122 5.900 1026 HB3 LEU 34 HB2 LEU 34 11.412 18.157 5.808 1027 HG LEU 34 HG LEU 34 11.502 15.799 6.501 1028 HD11 LEU 34 HD11 LEU 34 9.462 14.389 6.577 1029 HD12 LEU 34 HD12 LEU 34 9.425 15.650 7.826 1030 HD13 LEU 34 HD13 LEU 34 8.461 15.839 6.342 1031 HD21 LEU 34 HD21 LEU 34 10.580 14.796 4.428 1032 HD22 LEU 34 HD22 LEU 34 9.606 16.259 4.160 1033 HD23 LEU 34 HD23 LEU 34 11.383 16.346 4.094 1034 H LYS 35 H LYS 35 13.081 18.950 7.870 1035 HA LYS 35 HA LYS 35 14.266 16.542 8.888 1036 HB2 LYS 35 HB1 LYS 35 16.315 17.634 8.793 1037 HB3 LYS 35 HB2 LYS 35 15.352 18.155 7.389 1038 HG2 LYS 35 HG1 LYS 35 16.285 20.111 7.850 1039 HG3 LYS 35 HG2 LYS 35 14.912 20.236 8.977 1040 HD2 LYS 35 HD1 LYS 35 17.525 19.170 9.962 1041 HD3 LYS 35 HD2 LYS 35 17.346 20.917 9.673 1042 HE2 LYS 35 HE1 LYS 35 15.590 19.304 11.539 1043 HE3 LYS 35 HE2 LYS 35 17.033 20.212 12.043 1044 HZ1 LYS 35 HZ1 LYS 35 15.027 21.460 12.398 1045 HZ2 LYS 35 HZ2 LYS 35 15.968 22.206 11.270 1046 HZ3 LYS 35 HZ3 LYS 35 14.629 21.363 10.802 1047 H GLU 36 H GLU 36 12.809 19.286 10.517 1048 HA GLU 36 HA GLU 36 13.763 18.494 13.126 1049 HB2 GLU 36 HB1 GLU 36 12.702 20.751 12.314 1050 HB3 GLU 36 HB2 GLU 36 11.153 19.932 12.619 1051 HG2 GLU 36 HG1 GLU 36 11.806 21.118 14.631 1052 HG3 GLU 36 HG2 GLU 36 11.966 19.372 14.924 1053 H LEU 37 H LEU 37 10.841 17.767 11.185 1054 HA LEU 37 HA LEU 37 9.131 16.660 13.020 1055 HB2 LEU 37 HB1 LEU 37 9.064 17.127 10.406 1056 HB3 LEU 37 HB2 LEU 37 9.413 15.384 10.314 1057 HG LEU 37 HG LEU 37 7.070 16.617 11.772 1058 HD11 LEU 37 HD11 LEU 37 5.667 15.803 9.892 1059 HD12 LEU 37 HD12 LEU 37 6.889 16.966 9.336 1060 HD13 LEU 37 HD13 LEU 37 7.128 15.222 9.066 1061 HD21 LEU 37 HD21 LEU 37 6.081 14.352 11.812 1062 HD22 LEU 37 HD22 LEU 37 7.540 13.715 11.032 1063 HD23 LEU 37 HD23 LEU 37 7.632 14.405 12.669 1064 H ILE 38 H ILE 38 11.716 14.858 11.288 1065 HA ILE 38 HA ILE 38 10.967 12.291 12.369 1066 HB ILE 38 HB ILE 38 13.415 13.267 10.869 1067 HG12 ILE 38 HG13 ILE 38 11.119 11.575 9.822 1068 HG13 ILE 38 HG12 ILE 38 11.053 13.354 9.812 1069 HG21 ILE 38 HG21 ILE 38 13.883 10.888 10.344 1070 HG22 ILE 38 HG22 ILE 38 13.968 11.193 12.093 1071 HG23 ILE 38 HG23 ILE 38 12.537 10.396 11.396 1072 HD11 ILE 38 HD11 ILE 38 11.804 12.478 7.624 1073 HD12 ILE 38 HD12 ILE 38 13.085 13.421 8.416 1074 HD13 ILE 38 HD13 ILE 38 13.151 11.643 8.425 1075 H LYS 39 H LYS 39 13.072 14.821 13.630 1076 HA LYS 39 HA LYS 39 13.933 13.029 15.825 1077 HB2 LYS 39 HB1 LYS 39 14.722 15.737 14.764 1078 HB3 LYS 39 HB2 LYS 39 15.200 15.230 16.402 1079 HG2 LYS 39 HG1 LYS 39 15.835 13.683 13.875 1080 HG3 LYS 39 HG2 LYS 39 16.932 14.863 14.631 1081 HD2 LYS 39 HD1 LYS 39 15.972 12.290 15.929 1082 HD3 LYS 39 HD2 LYS 39 17.540 12.511 15.114 1083 HE2 LYS 39 HE1 LYS 39 17.997 14.391 16.768 1084 HE3 LYS 39 HE2 LYS 39 16.552 13.855 17.652 1085 HZ1 LYS 39 HZ1 LYS 39 18.553 12.905 18.561 1086 HZ2 LYS 39 HZ2 LYS 39 17.597 11.718 17.937 1087 HZ3 LYS 39 HZ3 LYS 39 18.937 12.215 17.116 1088 H LYS 40 H LYS 40 11.102 14.446 15.265 1089 HA LYS 40 HA LYS 40 10.700 15.389 18.063 1090 HB2 LYS 40 HB1 LYS 40 9.478 16.267 15.422 1091 HB3 LYS 40 HB2 LYS 40 8.759 16.686 16.997 1092 HG2 LYS 40 HG1 LYS 40 11.595 17.397 16.159 1093 HG3 LYS 40 HG2 LYS 40 10.198 18.494 16.031 1094 HD2 LYS 40 HD1 LYS 40 10.423 19.066 18.186 1095 HD3 LYS 40 HD2 LYS 40 10.233 17.365 18.672 1096 HE2 LYS 40 HE1 LYS 40 12.304 17.983 19.587 1097 HE3 LYS 40 HE2 LYS 40 12.738 17.119 18.097 1098 HZ1 LYS 40 HZ1 LYS 40 14.000 19.129 18.355 1099 HZ2 LYS 40 HZ2 LYS 40 13.028 19.235 17.029 1100 HZ3 LYS 40 HZ3 LYS 40 12.626 20.038 18.412 1101 H GLU 41 H GLU 41 8.868 13.967 15.282 1102 HA GLU 41 HA GLU 41 7.055 12.519 16.976 1103 HB2 GLU 41 HB1 GLU 41 6.393 11.300 15.039 1104 HB3 GLU 41 HB2 GLU 41 6.590 13.016 14.612 1105 HG2 GLU 41 HG1 GLU 41 7.560 12.137 12.791 1106 HG3 GLU 41 HG2 GLU 41 8.988 12.140 13.848 1107 H LEU 42 H LEU 42 10.167 11.715 15.486 1108 HA LEU 42 HA LEU 42 10.353 9.237 17.115 1109 HB2 LEU 42 HB1 LEU 42 10.583 9.648 14.271 1110 HB3 LEU 42 HB2 LEU 42 12.179 9.186 14.908 1111 HG LEU 42 HG LEU 42 9.613 7.630 15.408 1112 HD11 LEU 42 HD11 LEU 42 10.498 6.027 13.726 1113 HD12 LEU 42 HD12 LEU 42 10.229 7.631 13.002 1114 HD13 LEU 42 HD13 LEU 42 11.878 7.110 13.422 1115 HD21 LEU 42 HD21 LEU 42 11.148 5.813 16.128 1116 HD22 LEU 42 HD22 LEU 42 12.540 6.882 15.846 1117 HD23 LEU 42 HD23 LEU 42 11.364 7.271 17.124 1118 H CYS 43 H CYS 43 12.791 8.616 17.153 1119 HA CYS 43 HA CYS 43 14.783 10.694 17.069 1120 HB2 CYS 43 HB1 CYS 43 13.291 10.721 19.372 1121 HB3 CYS 43 HB2 CYS 43 14.621 9.624 19.823 1122 HG CYS 43 HG CYS 43 15.136 12.040 20.670 1123 H LEU 44 H LEU 44 16.165 9.467 15.892 1124 HA LEU 44 HA LEU 44 17.139 6.956 17.039 1125 HB2 LEU 44 HB1 LEU 44 16.878 5.663 15.055 1126 HB3 LEU 44 HB2 LEU 44 15.310 6.276 15.632 1127 HG LEU 44 HG LEU 44 15.338 6.155 13.301 1128 HD11 LEU 44 HD11 LEU 44 14.666 8.413 12.606 1129 HD12 LEU 44 HD12 LEU 44 14.050 7.986 14.212 1130 HD13 LEU 44 HD13 LEU 44 15.452 9.072 14.051 1131 HD21 LEU 44 HD21 LEU 44 16.776 7.425 11.767 1132 HD22 LEU 44 HD22 LEU 44 17.700 8.022 13.156 1133 HD23 LEU 44 HD23 LEU 44 17.693 6.286 12.768 1134 H GLY 45 H GLY 45 17.793 9.797 15.252 1135 HA2 GLY 45 HA2 GLY 45 20.251 8.776 15.314 1136 H GLU 46 H GLU 46 20.985 8.081 16.516 1137 HA GLU 46 HA GLU 46 22.309 9.055 18.738 1138 HB2 GLU 46 HB1 GLU 46 20.698 8.704 20.544 1139 HB3 GLU 46 HB2 GLU 46 20.134 9.984 19.444 1140 HG2 GLU 46 HG1 GLU 46 18.999 7.691 18.363 1141 HG3 GLU 46 HG2 GLU 46 18.914 7.387 20.111 1142 H MET 47 H MET 47 22.182 6.956 16.639 1143 HA MET 47 HA MET 47 22.630 4.413 17.825 1144 HB2 MET 47 HB1 MET 47 19.946 4.787 16.459 1145 HB3 MET 47 HB2 MET 47 20.675 3.232 16.927 1146 HG2 MET 47 HG1 MET 47 20.465 3.940 19.309 1147 HG3 MET 47 HG2 MET 47 19.575 5.368 18.755 1148 HE1 MET 47 HE1 MET 47 16.595 3.438 16.829 1149 HE2 MET 47 HE2 MET 47 17.420 5.006 17.006 1150 HE3 MET 47 HE3 MET 47 18.234 3.661 16.171 1151 H LYS 48 H LYS 48 21.178 6.077 15.013 1152 HA LYS 48 HA LYS 48 22.851 4.563 13.086 1153 HB2 LYS 48 HB1 LYS 48 20.085 5.688 13.137 1154 HB3 LYS 48 HB2 LYS 48 20.953 5.683 11.583 1155 HG2 LYS 48 HG1 LYS 48 19.684 3.758 11.581 1156 HG3 LYS 48 HG2 LYS 48 21.341 3.233 11.964 1157 HD2 LYS 48 HD1 LYS 48 19.578 3.711 14.316 1158 HD3 LYS 48 HD2 LYS 48 19.143 2.332 13.279 1159 HE2 LYS 48 HE1 LYS 48 22.031 2.831 13.974 1160 HE3 LYS 48 HE2 LYS 48 20.973 2.051 15.170 1161 HZ1 LYS 48 HZ1 LYS 48 22.140 0.447 13.836 1162 HZ2 LYS 48 HZ2 LYS 48 20.520 0.347 13.561 1163 HZ3 LYS 48 HZ3 LYS 48 21.502 1.070 12.452 1164 H GLU 49 H GLU 49 24.601 5.735 12.934 1165 HA GLU 49 HA GLU 49 24.388 8.585 12.136 1166 HB2 GLU 49 HB1 GLU 49 26.338 7.315 14.042 1167 HB3 GLU 49 HB2 GLU 49 26.646 8.878 13.245 1168 HG2 GLU 49 HG1 GLU 49 25.634 9.413 15.331 1169 HG3 GLU 49 HG2 GLU 49 24.360 9.616 14.110 1170 H SER 50 H SER 50 24.420 8.325 10.213 1171 HA SER 50 HA SER 50 26.390 8.282 8.387 1172 HB2 SER 50 HB1 SER 50 25.561 5.463 9.084 1173 HB3 SER 50 HB2 SER 50 25.994 5.878 7.407 1174 HG SER 50 HG SER 50 27.789 5.151 8.637 1175 H SER 51 H SER 51 25.475 8.736 6.384 1176 HA SER 51 HA SER 51 24.113 8.764 4.601 1177 HB2 SER 51 HB1 SER 51 22.484 6.570 5.924 1178 HB3 SER 51 HB2 SER 51 22.423 7.052 4.211 1179 HG SER 51 HG SER 51 23.769 5.224 4.573 1180 H ILE 52 H ILE 52 21.856 8.414 7.487 1181 HA ILE 52 HA ILE 52 19.980 10.273 6.517 1182 HB ILE 52 HB ILE 52 19.314 9.056 8.364 1183 HG12 ILE 52 HG13 ILE 52 19.804 11.846 9.431 1184 HG13 ILE 52 HG12 ILE 52 18.559 11.420 8.231 1185 HG21 ILE 52 HG21 ILE 52 20.322 9.065 10.603 1186 HG22 ILE 52 HG22 ILE 52 21.449 8.475 9.368 1187 HG23 ILE 52 HG23 ILE 52 21.615 10.126 10.009 1188 HD11 ILE 52 HD11 ILE 52 17.572 11.706 10.477 1189 HD12 ILE 52 HD12 ILE 52 17.420 10.036 9.902 1190 HD13 ILE 52 HD13 ILE 52 18.665 10.459 11.102 1191 H ASP 53 H ASP 53 23.204 10.891 7.875 1192 HA ASP 53 HA ASP 53 22.602 13.611 8.542 1193 HB2 ASP 53 HB1 ASP 53 24.448 12.098 9.491 1194 HB3 ASP 53 HB2 ASP 53 25.389 12.558 8.057 1195 H ASP 54 H ASP 54 23.851 12.168 5.470 1196 HA ASP 54 HA ASP 54 24.065 14.806 4.269 1197 HB2 ASP 54 HB1 ASP 54 25.239 12.750 3.332 1198 HB3 ASP 54 HB2 ASP 54 23.652 12.224 2.728 1199 H LEU 55 H LEU 55 21.530 12.221 4.328 1200 HA LEU 55 HA LEU 55 19.738 13.433 2.526 1201 HB2 LEU 55 HB1 LEU 55 19.219 11.709 4.966 1202 HB3 LEU 55 HB2 LEU 55 17.985 12.136 3.757 1203 HG LEU 55 HG LEU 55 20.564 10.686 3.112 1204 HD11 LEU 55 HD11 LEU 55 19.200 8.618 3.014 1205 HD12 LEU 55 HD12 LEU 55 19.181 9.330 4.644 1206 HD13 LEU 55 HD13 LEU 55 17.779 9.535 3.567 1207 HD21 LEU 55 HD21 LEU 55 19.419 10.085 0.998 1208 HD22 LEU 55 HD22 LEU 55 17.998 11.020 1.508 1209 HD23 LEU 55 HD23 LEU 55 19.542 11.847 1.191 1210 H MET 56 H MET 56 20.044 13.932 6.069 1211 HA MET 56 HA MET 56 18.155 16.020 6.318 1212 HB2 MET 56 HB1 MET 56 20.645 15.258 7.858 1213 HB3 MET 56 HB2 MET 56 19.611 16.623 8.340 1214 HG2 MET 56 HG1 MET 56 17.660 14.933 8.225 1215 HG3 MET 56 HG2 MET 56 18.912 13.680 8.199 1216 HE1 MET 56 HE1 MET 56 17.717 16.463 11.622 1217 HE2 MET 56 HE2 MET 56 18.216 17.085 10.028 1218 HE3 MET 56 HE3 MET 56 16.772 16.052 10.167 1219 H LYS 57 H LYS 57 21.759 16.341 5.637 1220 HA LYS 57 HA LYS 57 21.724 19.158 5.393 1221 HB2 LYS 57 HB1 LYS 57 23.288 17.267 3.617 1222 HB3 LYS 57 HB2 LYS 57 23.604 19.002 3.864 1223 HG2 LYS 57 HG1 LYS 57 24.566 16.671 5.285 1224 HG3 LYS 57 HG2 LYS 57 25.244 18.309 5.125 1225 HD2 LYS 57 HD1 LYS 57 23.996 19.084 7.040 1226 HD3 LYS 57 HD2 LYS 57 23.088 17.556 7.130 1227 HE2 LYS 57 HE1 LYS 57 25.420 16.405 7.190 1228 HE3 LYS 57 HE2 LYS 57 26.063 18.020 7.558 1229 HZ1 LYS 57 HZ1 LYS 57 25.672 16.750 9.533 1230 HZ2 LYS 57 HZ2 LYS 57 24.677 18.063 9.493 1231 HZ3 LYS 57 HZ3 LYS 57 24.080 16.563 9.152 1232 H SER 58 H SER 58 20.556 16.671 3.237 1233 HA SER 58 HA SER 58 20.409 18.399 0.889 1234 HB2 SER 58 HB1 SER 58 20.121 15.422 1.306 1235 HB3 SER 58 HB2 SER 58 19.816 16.222 -0.255 1236 HG SER 58 HG SER 58 22.018 15.545 -0.016 1237 H LEU 59 H LEU 59 18.059 17.070 3.257 1238 HA LEU 59 HA LEU 59 15.855 18.450 2.053 1239 HB2 LEU 59 HB1 LEU 59 16.584 18.024 4.971 1240 HB3 LEU 59 HB2 LEU 59 15.026 18.658 4.392 1241 HG LEU 59 HG LEU 59 16.155 15.872 4.014 1242 HD11 LEU 59 HD11 LEU 59 14.133 15.206 5.285 1243 HD12 LEU 59 HD12 LEU 59 15.128 16.354 6.209 1244 HD13 LEU 59 HD13 LEU 59 13.645 16.914 5.400 1245 HD21 LEU 59 HD21 LEU 59 14.092 15.302 2.782 1246 HD22 LEU 59 HD22 LEU 59 13.587 17.005 2.847 1247 HD23 LEU 59 HD23 LEU 59 15.039 16.539 1.927 1248 H ASP 60 H ASP 60 18.216 19.514 4.514 1249 HA ASP 60 HA ASP 60 17.292 22.225 4.487 1250 HB2 ASP 60 HB1 ASP 60 18.357 20.593 6.344 1251 HB3 ASP 60 HB2 ASP 60 19.816 21.497 5.884 1252 H LYS 61 H LYS 61 18.933 21.037 2.031 1253 HA LYS 61 HA LYS 61 21.340 22.588 1.855 1254 HB2 LYS 61 HB1 LYS 61 20.453 20.440 0.597 1255 HB3 LYS 61 HB2 LYS 61 19.788 21.631 -0.545 1256 HG2 LYS 61 HG1 LYS 61 21.843 20.899 -1.453 1257 HG3 LYS 61 HG2 LYS 61 22.127 22.535 -0.810 1258 HD2 LYS 61 HD1 LYS 61 24.037 21.121 -0.356 1259 HD3 LYS 61 HD2 LYS 61 23.227 21.561 1.166 1260 HE2 LYS 61 HE1 LYS 61 23.830 19.305 1.421 1261 HE3 LYS 61 HE2 LYS 61 22.091 19.282 1.057 1262 HZ1 LYS 61 HZ1 LYS 61 23.271 17.579 -0.131 1263 HZ2 LYS 61 HZ2 LYS 61 22.633 18.674 -1.183 1264 HZ3 LYS 61 HZ3 LYS 61 24.248 18.696 -0.846 1265 H ASN 62 H ASN 62 18.029 23.222 1.129 1266 HA ASN 62 HA ASN 62 18.539 26.039 0.317 1267 HB2 ASN 62 HB1 ASN 62 16.534 24.078 -0.889 1268 HB3 ASN 62 HB2 ASN 62 16.716 25.788 -1.339 1269 HD21 ASN 62 HD21 ASN 62 18.786 26.449 -2.314 1270 HD22 ASN 62 HD22 ASN 62 19.728 25.282 -3.223 1271 H SER 63 H SER 63 16.319 23.639 1.691 1272 HA SER 63 HA SER 63 15.520 23.489 3.689 1273 HB2 SER 63 HB1 SER 63 16.004 24.989 5.507 1274 HB3 SER 63 HB2 SER 63 17.438 24.505 4.570 1275 HG SER 63 HG SER 63 17.502 26.693 5.227 1276 H ASP 64 H ASP 64 14.621 26.749 2.484 1277 HA ASP 64 HA ASP 64 12.183 26.489 4.171 1278 HB2 ASP 64 HB1 ASP 64 13.722 28.937 3.274 1279 HB3 ASP 64 HB2 ASP 64 12.182 28.976 4.159 1280 H GLN 65 H GLN 65 12.029 25.001 2.217 1281 HA GLN 65 HA GLN 65 10.542 26.216 -0.052 1282 HB2 GLN 65 HB1 GLN 65 12.254 23.813 -0.483 1283 HB3 GLN 65 HB2 GLN 65 11.824 25.121 -1.609 1284 HG2 GLN 65 HG1 GLN 65 13.874 25.519 0.557 1285 HG3 GLN 65 HG2 GLN 65 14.286 24.762 -0.997 1286 HE21 GLN 65 HE12 GLN 65 12.653 27.812 0.222 1287 HE22 GLN 65 HE22 GLN 65 13.341 28.808 -1.037 1288 H GLU 66 H GLU 66 9.037 24.532 -1.027 1289 HA GLU 66 HA GLU 66 8.107 22.954 1.228 1290 HB2 GLU 66 HB1 GLU 66 6.805 23.460 -1.451 1291 HB3 GLU 66 HB2 GLU 66 6.071 22.544 -0.113 1292 HG2 GLU 66 HG1 GLU 66 6.151 24.524 1.329 1293 HG3 GLU 66 HG2 GLU 66 6.987 25.446 0.061 1294 H ILE 67 H ILE 67 7.551 20.966 1.346 1295 HA ILE 67 HA ILE 67 8.340 18.877 -0.609 1296 HB ILE 67 HB ILE 67 8.554 18.725 2.439 1297 HG12 ILE 67 HG13 ILE 67 10.660 19.177 0.304 1298 HG13 ILE 67 HG12 ILE 67 10.286 20.201 1.712 1299 HG21 ILE 67 HG21 ILE 67 9.699 16.584 1.977 1300 HG22 ILE 67 HG22 ILE 67 8.048 16.588 1.311 1301 HG23 ILE 67 HG23 ILE 67 9.443 16.822 0.232 1302 HD11 ILE 67 HD11 ILE 67 12.399 18.956 2.052 1303 HD12 ILE 67 HD12 ILE 67 11.156 18.453 3.216 1304 HD13 ILE 67 HD13 ILE 67 11.529 17.428 1.810 1305 H ASP 68 H ASP 68 6.868 17.157 -0.716 1306 HA ASP 68 HA ASP 68 4.249 17.523 0.582 1307 HB2 ASP 68 HB1 ASP 68 3.314 16.314 -1.203 1308 HB3 ASP 68 HB2 ASP 68 4.536 17.374 -1.938 1309 H PHE 69 H PHE 69 3.005 15.473 0.910 1310 HA PHE 69 HA PHE 69 3.902 13.737 2.869 1311 HB2 PHE 69 HB1 PHE 69 1.957 12.307 1.985 1312 HB3 PHE 69 HB2 PHE 69 1.587 13.977 2.445 1313 HD1 PHE 69 HD1 PHE 69 2.115 11.698 -0.479 1314 HD2 PHE 69 HD2 PHE 69 0.785 15.566 0.857 1315 HE1 PHE 69 HE1 PHE 69 1.240 12.184 -2.752 1316 HE2 PHE 69 HE2 PHE 69 -0.075 16.059 -1.418 1317 HZ PHE 69 HZ PHE 69 0.165 14.374 -3.230 1318 H LYS 70 H LYS 70 4.972 13.551 -0.442 1319 HA LYS 70 HA LYS 70 5.004 10.585 -0.521 1320 HB2 LYS 70 HB1 LYS 70 4.097 12.371 -2.265 1321 HB3 LYS 70 HB2 LYS 70 5.805 12.405 -2.765 1322 HG2 LYS 70 HG1 LYS 70 5.716 9.994 -3.246 1323 HG3 LYS 70 HG2 LYS 70 4.010 9.953 -2.737 1324 HD2 LYS 70 HD1 LYS 70 3.718 11.909 -4.486 1325 HD3 LYS 70 HD2 LYS 70 5.249 11.296 -5.156 1326 HE2 LYS 70 HE1 LYS 70 4.267 9.062 -5.422 1327 HE3 LYS 70 HE2 LYS 70 2.750 9.622 -4.685 1328 HZ1 LYS 70 HZ1 LYS 70 2.614 9.570 -7.072 1329 HZ2 LYS 70 HZ2 LYS 70 2.482 11.121 -6.531 1330 HZ3 LYS 70 HZ3 LYS 70 3.891 10.601 -7.213 1331 H GLU 71 H GLU 71 7.244 13.327 -1.299 1332 HA GLU 71 HA GLU 71 9.734 12.178 -0.880 1333 HB2 GLU 71 HB1 GLU 71 8.433 14.787 -0.145 1334 HB3 GLU 71 HB2 GLU 71 10.042 14.421 0.526 1335 HG2 GLU 71 HG1 GLU 71 9.837 13.977 -2.381 1336 HG3 GLU 71 HG2 GLU 71 9.559 15.661 -1.887 1337 H TYR 72 H TYR 72 7.304 13.202 1.599 1338 HA TYR 72 HA TYR 72 8.897 12.596 3.868 1339 HB2 TYR 72 HB1 TYR 72 7.093 14.032 4.138 1340 HB3 TYR 72 HB2 TYR 72 5.966 12.936 3.319 1341 HD1 TYR 72 HD1 TYR 72 8.209 12.697 6.352 1342 HD2 TYR 72 HD2 TYR 72 4.294 12.129 4.658 1343 HE1 TYR 72 HE1 TYR 72 7.339 12.075 8.596 1344 HE2 TYR 72 HE2 TYR 72 3.418 11.483 6.891 1345 HH TYR 72 HH TYR 72 3.886 11.211 9.112 1346 H SER 73 H SER 73 6.648 10.502 2.018 1347 HA SER 73 HA SER 73 7.025 8.216 3.710 1348 HB2 SER 73 HB1 SER 73 5.066 8.618 2.204 1349 HB3 SER 73 HB2 SER 73 6.126 8.292 0.811 1350 HG SER 73 HG SER 73 5.008 6.422 1.534 1351 H VAL 74 H VAL 74 8.683 9.120 0.542 1352 HA VAL 74 HA VAL 74 10.218 6.707 0.594 1353 HB VAL 74 HB VAL 74 11.828 7.758 -0.932 1354 HG11 VAL 74 HG11 VAL 74 10.301 7.916 -2.866 1355 HG12 VAL 74 HG12 VAL 74 9.856 6.581 -1.783 1356 HG13 VAL 74 HG13 VAL 74 8.929 8.099 -1.755 1357 HG21 VAL 74 HG21 VAL 74 11.390 9.932 -2.004 1358 HG22 VAL 74 HG22 VAL 74 10.050 10.204 -0.874 1359 HG23 VAL 74 HG23 VAL 74 11.722 10.103 -0.271 1360 H PHE 75 H PHE 75 10.732 9.861 2.149 1361 HA PHE 75 HA PHE 75 13.523 9.414 2.736 1362 HB2 PHE 75 HB1 PHE 75 12.293 11.622 2.464 1363 HB3 PHE 75 HB2 PHE 75 11.589 11.332 4.064 1364 HD1 PHE 75 HD1 PHE 75 13.228 11.032 6.059 1365 HD2 PHE 75 HD2 PHE 75 14.401 12.618 2.233 1366 HE1 PHE 75 HE1 PHE 75 15.220 12.082 7.109 1367 HE2 PHE 75 HE2 PHE 75 16.355 13.719 3.295 1368 HZ PHE 75 HZ PHE 75 16.760 13.469 5.734 1369 H LEU 76 H LEU 76 10.485 9.179 4.736 1370 HA LEU 76 HA LEU 76 11.644 8.015 7.032 1371 HB2 LEU 76 HB1 LEU 76 8.963 7.696 5.666 1372 HB3 LEU 76 HB2 LEU 76 9.363 6.803 7.153 1373 HG LEU 76 HG LEU 76 9.304 9.832 6.897 1374 HD11 LEU 76 HD11 LEU 76 7.193 9.630 8.195 1375 HD12 LEU 76 HD12 LEU 76 7.069 8.773 6.640 1376 HD13 LEU 76 HD13 LEU 76 7.330 7.855 8.143 1377 HD21 LEU 76 HD21 LEU 76 9.394 9.801 9.374 1378 HD22 LEU 76 HD22 LEU 76 9.533 8.028 9.344 1379 HD23 LEU 76 HD23 LEU 76 10.837 9.034 8.668 1380 H THR 77 H THR 77 10.479 6.445 3.988 1381 HA THR 77 HA THR 77 10.949 3.789 4.953 1382 HB THR 77 HB THR 77 10.625 4.730 2.089 1383 HG1 THR 77 HG1 THR 77 8.453 4.143 2.547 1384 HG21 THR 77 HG21 THR 77 9.839 2.406 1.729 1385 HG22 THR 77 HG22 THR 77 11.522 2.428 2.305 1386 HG23 THR 77 HG23 THR 77 10.204 2.022 3.429 1387 H MET 78 H MET 78 12.894 5.958 2.917 1388 HA MET 78 HA MET 78 15.128 4.302 2.440 1389 HB2 MET 78 HB1 MET 78 14.709 6.383 1.288 1390 HB3 MET 78 HB2 MET 78 14.817 7.295 2.813 1391 HG2 MET 78 HG1 MET 78 17.125 7.097 2.920 1392 HG3 MET 78 HG2 MET 78 17.162 5.704 1.828 1393 HE1 MET 78 HE1 MET 78 15.978 9.864 0.088 1394 HE2 MET 78 HE2 MET 78 14.860 8.700 0.827 1395 HE3 MET 78 HE3 MET 78 16.037 9.573 1.838 1396 H LEU 79 H LEU 79 14.478 6.513 5.247 1397 HA LEU 79 HA LEU 79 16.858 5.829 6.644 1398 HB2 LEU 79 HB1 LEU 79 14.443 7.338 7.146 1399 HB3 LEU 79 HB2 LEU 79 14.853 6.349 8.568 1400 HG LEU 79 HG LEU 79 15.885 8.529 8.769 1401 HD11 LEU 79 HD11 LEU 79 18.249 7.862 9.066 1402 HD12 LEU 79 HD12 LEU 79 17.138 6.601 9.646 1403 HD13 LEU 79 HD13 LEU 79 17.962 6.411 8.079 1404 HD21 LEU 79 HD21 LEU 79 17.535 9.374 7.138 1405 HD22 LEU 79 HD22 LEU 79 17.231 7.961 6.101 1406 HD23 LEU 79 HD23 LEU 79 15.936 9.147 6.393 1407 H CYS 80 H CYS 80 13.553 4.400 6.903 1408 HA CYS 80 HA CYS 80 14.043 2.460 8.861 1409 HB2 CYS 80 HB1 CYS 80 11.854 3.112 8.007 1410 HB3 CYS 80 HB2 CYS 80 12.256 2.472 6.394 1411 HG CYS 80 HG CYS 80 10.507 0.915 7.557 1412 H MET 81 H MET 81 14.520 2.166 5.300 1413 HA MET 81 HA MET 81 15.396 -0.579 5.483 1414 HB2 MET 81 HB1 MET 81 14.276 0.870 3.524 1415 HB3 MET 81 HB2 MET 81 15.984 1.058 3.057 1416 HG2 MET 81 HG1 MET 81 14.980 -0.856 1.935 1417 HG3 MET 81 HG2 MET 81 16.274 -1.358 3.035 1418 HE1 MET 81 HE1 MET 81 11.981 -1.838 4.741 1419 HE2 MET 81 HE2 MET 81 13.080 -0.467 4.989 1420 HE3 MET 81 HE3 MET 81 12.296 -0.707 3.410 1421 H ALA 82 H ALA 82 17.073 2.533 5.612 1422 HA ALA 82 HA ALA 82 19.695 1.582 5.166 1423 HB1 ALA 82 HB1 ALA 82 20.411 3.597 6.399 1424 HB2 ALA 82 HB2 ALA 82 19.107 3.964 5.248 1425 HB3 ALA 82 HB3 ALA 82 18.747 3.826 6.986 1426 H TYR 83 H TYR 83 17.584 1.008 7.976 1427 HA TYR 83 HA TYR 83 19.949 -0.021 9.395 1428 HB2 TYR 83 HB1 TYR 83 19.367 1.055 11.442 1429 HB3 TYR 83 HB2 TYR 83 19.559 2.237 10.136 1430 HD1 TYR 83 HD1 TYR 83 16.920 0.419 12.104 1431 HD2 TYR 83 HD2 TYR 83 18.028 3.954 9.921 1432 HE1 TYR 83 HE1 TYR 83 14.780 1.493 12.768 1433 HE2 TYR 83 HE2 TYR 83 15.896 5.041 10.587 1434 HH TYR 83 HH TYR 83 13.907 4.804 11.660 1435 H ASN 84 H ASN 84 16.669 -0.812 8.634 1436 HA ASN 84 HA ASN 84 16.396 -2.604 10.929 1437 HB2 ASN 84 HB1 ASN 84 14.751 -2.052 8.460 1438 HB3 ASN 84 HB2 ASN 84 14.373 -3.405 9.549 1439 HD21 ASN 84 HD21 ASN 84 12.305 -2.048 9.608 1440 HD22 ASN 84 HD22 ASN 84 12.200 -0.858 10.894 1441 H ASP 85 H ASP 85 17.866 -4.186 10.981 1442 HA ASP 85 HA ASP 85 18.800 -5.824 8.848 1443 HB2 ASP 85 HB1 ASP 85 19.561 -7.268 10.762 1444 HB3 ASP 85 HB2 ASP 85 20.004 -5.558 10.947 1445 H PHE 86 H PHE 86 15.864 -6.032 10.817 1446 HA PHE 86 HA PHE 86 15.357 -8.767 10.857 1447 HB2 PHE 86 HB1 PHE 86 13.352 -6.498 10.561 1448 HB3 PHE 86 HB2 PHE 86 13.015 -8.111 11.208 1449 HD1 PHE 86 HD2 PHE 86 14.784 -8.761 13.220 1450 HD2 PHE 86 HD1 PHE 86 13.480 -4.801 12.138 1451 HE1 PHE 86 HE2 PHE 86 15.301 -7.965 15.514 1452 HE2 PHE 86 HE1 PHE 86 13.998 -4.006 14.434 1453 HZ PHE 86 HZ PHE 86 14.910 -5.585 16.125 1454 H PHE 87 H PHE 87 14.925 -6.558 8.117 1455 HA PHE 87 HA PHE 87 13.226 -8.480 6.707 1456 HB2 PHE 87 HB1 PHE 87 14.344 -5.956 5.526 1457 HB3 PHE 87 HB2 PHE 87 12.855 -6.823 5.112 1458 HD1 PHE 87 HD1 PHE 87 11.492 -7.119 7.707 1459 HD2 PHE 87 HD2 PHE 87 13.714 -3.816 6.066 1460 HE1 PHE 87 HE1 PHE 87 10.278 -5.552 9.209 1461 HE2 PHE 87 HE2 PHE 87 12.414 -2.242 7.475 1462 HZ PHE 87 HZ PHE 87 10.769 -3.122 9.119 1463 H LEU 88 H LEU 88 16.547 -8.110 7.083 1464 HA LEU 88 HA LEU 88 17.290 -8.992 4.353 1465 HB2 LEU 88 HB1 LEU 88 18.639 -7.528 6.624 1466 HB3 LEU 88 HB2 LEU 88 19.624 -8.382 5.413 1467 HG LEU 88 HG LEU 88 19.462 -6.000 4.976 1468 HD11 LEU 88 HD11 LEU 88 18.873 -6.113 2.581 1469 HD12 LEU 88 HD12 LEU 88 19.795 -7.538 3.103 1470 HD13 LEU 88 HD13 LEU 88 18.035 -7.653 2.869 1471 HD21 LEU 88 HD21 LEU 88 17.400 -4.904 4.197 1472 HD22 LEU 88 HD22 LEU 88 16.493 -6.388 4.543 1473 HD23 LEU 88 HD23 LEU 88 17.256 -5.478 5.869 1474 H GLU 89 H GLU 89 19.015 -10.515 4.184 1475 HA GLU 89 HA GLU 89 18.792 -12.841 5.998 1476 HB2 GLU 89 HB1 GLU 89 20.025 -12.458 3.236 1477 HB3 GLU 89 HB2 GLU 89 19.887 -14.008 4.101 1478 HG2 GLU 89 HG1 GLU 89 18.182 -13.871 2.387 1479 HG3 GLU 89 HG2 GLU 89 17.423 -13.832 3.994 1480 H ASP 90 H ASP 90 21.063 -10.574 4.626 1481 HA ASP 90 HA ASP 90 22.702 -10.357 6.965 1482 HB2 ASP 90 HB1 ASP 90 23.841 -12.306 6.016 1483 HB3 ASP 90 HB2 ASP 90 23.955 -11.502 4.436 1484 H ASN 91 H ASN 91 23.899 -8.322 6.814 1485 HA ASN 91 HA ASN 91 24.363 -6.824 4.529 1486 HB2 ASN 91 HB1 ASN 91 21.611 -6.734 5.055 1487 HB3 ASN 91 HB2 ASN 91 22.243 -5.157 5.580 1488 HD21 ASN 91 HD21 ASN 91 22.410 -7.471 2.841 1489 HD22 ASN 91 HD22 ASN 91 22.507 -6.244 1.591 1490 H LYS 92 H LYS 92 22.953 -5.299 7.429 1491 HA LYS 92 HA LYS 92 25.267 -4.396 8.749 1492 HB2 LYS 92 HB1 LYS 92 25.731 -2.308 7.927 1493 HB3 LYS 92 HB2 LYS 92 25.490 -3.277 6.452 1494 HG2 LYS 92 HG1 LYS 92 23.645 -1.212 7.636 1495 HG3 LYS 92 HG2 LYS 92 24.610 -1.091 6.145 1496 HD2 LYS 92 HD1 LYS 92 22.462 -1.306 5.384 1497 HD3 LYS 92 HD2 LYS 92 23.119 -2.955 5.248 1498 HE2 LYS 92 HE1 LYS 92 20.715 -2.716 6.041 1499 HE3 LYS 92 HE2 LYS 92 21.786 -3.758 7.002 1500 HZ1 LYS 92 HZ1 LYS 92 20.440 -2.352 8.383 1501 HZ2 LYS 92 HZ2 LYS 92 22.031 -1.963 8.554 1502 HZ3 LYS 92 HZ3 LYS 92 21.036 -0.996 7.664 Start of MODEL 23 1 HA MET 1 HA MET 1 12.024 2.807 19.875 2 HB2 MET 1 HB1 MET 1 10.291 1.329 18.997 3 HB3 MET 1 HB2 MET 1 11.908 0.594 19.114 4 HG2 MET 1 HG1 MET 1 9.546 0.053 20.923 5 HG3 MET 1 HG2 MET 1 10.139 -0.993 19.624 6 HE1 MET 1 HE1 MET 1 11.088 -1.357 23.943 7 HE2 MET 1 HE2 MET 1 10.470 0.182 23.298 8 HE3 MET 1 HE3 MET 1 9.579 -1.331 23.003 9 H GLU 2 H GLU 2 10.842 4.567 20.197 10 HA GLU 2 HA GLU 2 9.645 4.611 22.917 11 HB2 GLU 2 HB1 GLU 2 11.076 6.582 21.109 12 HB3 GLU 2 HB2 GLU 2 10.176 7.127 22.545 13 HG2 GLU 2 HG1 GLU 2 12.711 6.773 22.761 14 HG3 GLU 2 HG2 GLU 2 11.656 6.103 24.024 15 H THR 3 H THR 3 9.004 5.614 19.515 16 HA THR 3 HA THR 3 6.989 7.475 20.632 17 HB THR 3 HB THR 3 7.363 8.958 18.996 18 HG1 THR 3 HG1 THR 3 8.155 8.419 16.933 19 HG21 THR 3 HG21 THR 3 9.765 9.175 18.503 20 HG22 THR 3 HG22 THR 3 9.476 8.697 20.187 21 HG23 THR 3 HG23 THR 3 10.008 7.487 18.995 22 HA PRO 4 HA PRO 4 3.636 5.391 18.752 23 HB2 PRO 4 HB1 PRO 4 1.784 7.274 18.078 24 HB3 PRO 4 HB2 PRO 4 2.276 6.963 19.777 25 HG2 PRO 4 HG1 PRO 4 3.277 9.131 17.925 26 HG3 PRO 4 HG2 PRO 4 2.727 9.302 19.624 27 HD2 PRO 4 HD1 PRO 4 5.380 9.071 18.918 28 HD3 PRO 4 HD2 PRO 4 4.738 8.391 20.444 29 H LEU 5 H LEU 5 4.812 8.056 16.597 30 HA LEU 5 HA LEU 5 3.637 6.850 14.239 31 HB2 LEU 5 HB1 LEU 5 3.986 9.252 14.520 32 HB3 LEU 5 HB2 LEU 5 5.745 8.992 14.509 33 HG LEU 5 HG LEU 5 5.836 8.693 12.240 34 HD11 LEU 5 HD11 LEU 5 3.966 8.131 10.697 35 HD12 LEU 5 HD12 LEU 5 4.179 6.881 11.936 36 HD13 LEU 5 HD13 LEU 5 2.860 8.067 12.083 37 HD21 LEU 5 HD21 LEU 5 4.391 10.444 11.195 38 HD22 LEU 5 HD22 LEU 5 3.315 10.389 12.610 39 HD23 LEU 5 HD23 LEU 5 4.987 10.975 12.784 40 H GLU 6 H GLU 6 6.930 6.735 15.705 41 HA GLU 6 HA GLU 6 8.099 4.823 14.049 42 HB2 GLU 6 HB1 GLU 6 9.148 5.833 15.986 43 HB3 GLU 6 HB2 GLU 6 7.977 5.044 17.070 44 HG2 GLU 6 HG1 GLU 6 9.016 2.840 15.968 45 HG3 GLU 6 HG2 GLU 6 10.405 3.923 15.729 46 H LYS 7 H LYS 7 5.375 4.199 16.465 47 HA LYS 7 HA LYS 7 5.551 1.362 15.939 48 HB2 LYS 7 HB1 LYS 7 3.122 2.781 17.027 49 HB3 LYS 7 HB2 LYS 7 3.521 1.051 17.142 50 HG2 LYS 7 HG1 LYS 7 4.677 3.368 18.652 51 HG3 LYS 7 HG2 LYS 7 3.878 1.902 19.267 52 HD2 LYS 7 HD1 LYS 7 5.859 0.580 18.384 53 HD3 LYS 7 HD2 LYS 7 6.662 2.136 18.072 54 HE2 LYS 7 HE1 LYS 7 5.393 1.688 20.758 55 HE3 LYS 7 HE2 LYS 7 6.939 0.881 20.413 56 HZ1 LYS 7 HZ1 LYS 7 7.261 3.019 21.427 57 HZ2 LYS 7 HZ2 LYS 7 7.867 3.022 19.894 58 HZ3 LYS 7 HZ3 LYS 7 6.434 3.772 20.216 59 H ALA 8 H ALA 8 3.914 3.997 14.294 60 HA ALA 8 HA ALA 8 2.211 2.334 12.659 61 HB1 ALA 8 HB1 ALA 8 1.843 4.435 11.442 62 HB2 ALA 8 HB2 ALA 8 1.702 4.667 13.202 63 HB3 ALA 8 HB3 ALA 8 3.171 5.197 12.350 64 H LEU 9 H LEU 9 5.425 3.926 12.053 65 HA LEU 9 HA LEU 9 5.869 2.689 9.531 66 HB2 LEU 9 HB1 LEU 9 7.584 3.901 11.654 67 HB3 LEU 9 HB2 LEU 9 8.373 2.883 10.424 68 HG LEU 9 HG LEU 9 8.492 5.259 9.881 69 HD11 LEU 9 HD11 LEU 9 7.697 5.136 7.544 70 HD12 LEU 9 HD12 LEU 9 8.473 3.622 8.053 71 HD13 LEU 9 HD13 LEU 9 6.699 3.727 7.964 72 HD21 LEU 9 HD21 LEU 9 6.507 6.567 9.223 73 HD22 LEU 9 HD22 LEU 9 5.464 5.208 9.695 74 HD23 LEU 9 HD23 LEU 9 6.428 6.062 10.924 75 H THR 10 H THR 10 6.651 1.525 12.863 76 HA THR 10 HA THR 10 7.594 -1.030 12.273 77 HB THR 10 HB THR 10 5.715 -0.334 14.546 78 HG1 THR 10 HG1 THR 10 7.715 -0.073 15.662 79 HG21 THR 10 HG21 THR 10 6.844 -2.230 15.694 80 HG22 THR 10 HG22 THR 10 6.031 -2.776 14.211 81 HG23 THR 10 HG23 THR 10 7.796 -2.545 14.225 82 H THR 11 H THR 11 4.107 -0.103 12.679 83 HA THR 11 HA THR 11 2.962 -2.572 12.032 84 HB THR 11 HB THR 11 1.906 0.197 11.392 85 HG1 THR 11 HG1 THR 11 0.815 -0.149 13.389 86 HG21 THR 11 HG21 THR 11 -0.348 -0.842 11.504 87 HG22 THR 11 HG22 THR 11 0.625 -1.555 10.200 88 HG23 THR 11 HG23 THR 11 0.408 -2.433 11.731 89 H MET 12 H MET 12 4.020 0.031 9.781 90 HA MET 12 HA MET 12 3.118 -1.279 7.415 91 HB2 MET 12 HB1 MET 12 5.213 0.861 7.867 92 HB3 MET 12 HB2 MET 12 4.731 0.282 6.255 93 HG2 MET 12 HG1 MET 12 2.456 0.983 6.603 94 HG3 MET 12 HG2 MET 12 2.767 1.342 8.309 95 HE1 MET 12 HE1 MET 12 2.684 4.260 5.002 96 HE2 MET 12 HE2 MET 12 2.860 2.523 4.656 97 HE3 MET 12 HE3 MET 12 1.520 3.097 5.677 98 H VAL 13 H VAL 13 6.449 -1.337 8.972 99 HA VAL 13 HA VAL 13 7.412 -3.104 6.938 100 HB VAL 13 HB VAL 13 9.235 -3.773 8.446 101 HG11 VAL 13 HG11 VAL 13 10.416 -1.603 8.375 102 HG12 VAL 13 HG12 VAL 13 9.474 -1.890 6.898 103 HG13 VAL 13 HG13 VAL 13 8.861 -0.778 8.147 104 HG21 VAL 13 HG21 VAL 13 9.712 -2.543 10.528 105 HG22 VAL 13 HG22 VAL 13 8.135 -1.744 10.399 106 HG23 VAL 13 HG23 VAL 13 8.226 -3.504 10.649 107 H THR 14 H THR 14 5.764 -3.756 10.047 108 HA THR 14 HA THR 14 6.064 -6.576 10.081 109 HB THR 14 HB THR 14 3.852 -4.783 11.132 110 HG1 THR 14 HG1 THR 14 5.053 -5.156 13.062 111 HG21 THR 14 HG21 THR 14 3.296 -6.643 12.680 112 HG22 THR 14 HG22 THR 14 3.034 -7.118 10.988 113 HG23 THR 14 HG23 THR 14 4.486 -7.674 11.856 114 H THR 15 H THR 15 3.431 -4.566 8.644 115 HA THR 15 HA THR 15 1.980 -6.811 7.625 116 HB THR 15 HB THR 15 0.895 -4.972 6.138 117 HG1 THR 15 HG1 THR 15 1.218 -2.903 7.060 118 HG21 THR 15 HG21 THR 15 -0.473 -4.225 8.059 119 HG22 THR 15 HG22 THR 15 -0.143 -5.971 8.141 120 HG23 THR 15 HG23 THR 15 0.766 -4.843 9.176 121 H PHE 16 H PHE 16 4.510 -4.768 6.148 122 HA PHE 16 HA PHE 16 4.329 -5.946 3.527 123 HB2 PHE 16 HB1 PHE 16 5.426 -3.831 3.981 124 HB3 PHE 16 HB2 PHE 16 6.544 -4.604 5.114 125 HD1 PHE 16 HD2 PHE 16 8.394 -6.002 4.316 126 HD2 PHE 16 HD1 PHE 16 5.810 -3.887 1.590 127 HE1 PHE 16 HE2 PHE 16 10.033 -6.360 2.485 128 HE2 PHE 16 HE1 PHE 16 7.487 -4.189 -0.225 129 HZ PHE 16 HZ PHE 16 9.579 -5.451 0.221 130 H HIS 17 H HIS 17 6.360 -6.703 6.409 131 HA HIS 17 HA HIS 17 7.669 -8.960 5.298 132 HB2 HIS 17 HB1 HIS 17 8.408 -7.660 7.270 133 HB3 HIS 17 HB2 HIS 17 7.048 -8.319 8.199 134 HD1 HIS 17 HD1 HIS 17 7.184 -11.104 8.563 135 HD2 HIS 17 HD2 HIS 17 10.627 -9.075 7.276 136 HE1 HIS 17 HE1 HIS 17 9.150 -12.667 9.003 137 HE2 HIS 17 HE2 HIS 17 11.279 -11.416 8.305 138 H LYS 18 H LYS 18 4.442 -8.665 6.695 139 HA LYS 18 HA LYS 18 3.835 -11.342 7.302 140 HB2 LYS 18 HB1 LYS 18 2.609 -9.144 7.767 141 HB3 LYS 18 HB2 LYS 18 1.926 -9.311 6.131 142 HG2 LYS 18 HG1 LYS 18 1.590 -11.580 8.043 143 HG3 LYS 18 HG2 LYS 18 0.631 -10.104 8.304 144 HD2 LYS 18 HD1 LYS 18 -0.130 -10.340 5.872 145 HD3 LYS 18 HD2 LYS 18 0.593 -11.966 5.909 146 HE2 LYS 18 HE1 LYS 18 -1.637 -12.390 6.488 147 HE3 LYS 18 HE2 LYS 18 -0.841 -12.288 8.074 148 HZ1 LYS 18 HZ1 LYS 18 -2.863 -11.017 8.014 149 HZ2 LYS 18 HZ2 LYS 18 -1.571 -10.014 8.225 150 HZ3 LYS 18 HZ3 LYS 18 -2.311 -10.107 6.754 151 H TYR 19 H TYR 19 4.176 -9.871 4.105 152 HA TYR 19 HA TYR 19 3.130 -12.352 2.830 153 HB2 TYR 19 HB1 TYR 19 3.585 -9.523 1.826 154 HB3 TYR 19 HB2 TYR 19 3.227 -10.876 0.740 155 HD1 TYR 19 HD1 TYR 19 1.873 -8.729 3.462 156 HD2 TYR 19 HD2 TYR 19 1.012 -11.848 0.623 157 HE1 TYR 19 HE1 TYR 19 -0.517 -8.652 4.113 158 HE2 TYR 19 HE2 TYR 19 -1.386 -11.784 1.273 159 HH TYR 19 HH TYR 19 -2.940 -10.930 2.758 160 H SER 20 H SER 20 6.088 -10.520 3.351 161 HA SER 20 HA SER 20 7.832 -11.903 1.584 162 HB2 SER 20 HB1 SER 20 9.510 -10.892 2.813 163 HB3 SER 20 HB2 SER 20 8.119 -9.841 3.172 164 HG SER 20 HG SER 20 9.331 -10.387 5.056 165 H GLY 21 H GLY 21 6.495 -12.886 4.765 166 HA2 GLY 21 HA2 GLY 21 7.384 -15.209 3.828 167 H ARG 22 H ARG 22 7.088 -16.512 2.614 168 HA ARG 22 HA ARG 22 4.317 -17.337 2.233 169 HB2 ARG 22 HB1 ARG 22 4.171 -16.655 -0.106 170 HB3 ARG 22 HB2 ARG 22 4.312 -15.268 1.000 171 HG2 ARG 22 HG1 ARG 22 6.746 -15.124 0.402 172 HG3 ARG 22 HG2 ARG 22 6.468 -16.390 -0.820 173 HD2 ARG 22 HD1 ARG 22 5.278 -13.602 -0.732 174 HD3 ARG 22 HD2 ARG 22 6.430 -14.253 -1.919 175 HE ARG 22 HE ARG 22 3.622 -14.339 -2.053 176 HH11 ARG 22 HH12 ARG 22 6.273 -16.570 -2.735 177 HH12 ARG 22 HH11 ARG 22 5.338 -17.453 -3.915 178 HH21 ARG 22 HH22 ARG 22 2.488 -15.489 -3.542 179 HH22 ARG 22 HH21 ARG 22 3.222 -16.846 -4.365 180 H GLU 23 H GLU 23 7.523 -17.401 0.711 181 HA GLU 23 HA GLU 23 7.650 -20.322 0.611 182 HB2 GLU 23 HB1 GLU 23 7.584 -18.602 -1.895 183 HB3 GLU 23 HB2 GLU 23 8.240 -20.256 -1.842 184 HG2 GLU 23 HG1 GLU 23 6.011 -21.114 -1.202 185 HG3 GLU 23 HG2 GLU 23 5.359 -19.462 -1.273 186 H GLY 24 H GLY 24 9.539 -18.273 -1.568 187 HA2 GLY 24 HA2 GLY 24 10.840 -17.568 0.611 188 H SER 25 H SER 25 12.795 -15.708 0.271 189 HA SER 25 HA SER 25 13.076 -13.534 -0.040 190 HB2 SER 25 HB1 SER 25 10.530 -13.613 -1.643 191 HB3 SER 25 HB2 SER 25 11.486 -12.133 -1.396 192 HG SER 25 HG SER 25 12.124 -13.299 -3.277 193 H LYS 26 H LYS 26 12.905 -13.700 2.323 194 HA LYS 26 HA LYS 26 10.691 -12.508 3.711 195 HB2 LYS 26 HB1 LYS 26 12.430 -12.310 5.571 196 HB3 LYS 26 HB2 LYS 26 12.091 -13.944 4.949 197 HG2 LYS 26 HG1 LYS 26 14.159 -14.102 3.866 198 HG3 LYS 26 HG2 LYS 26 14.395 -12.338 3.841 199 HD2 LYS 26 HD1 LYS 26 14.693 -12.399 6.340 200 HD3 LYS 26 HD2 LYS 26 14.610 -14.176 6.265 201 HE2 LYS 26 HE1 LYS 26 16.534 -14.279 4.808 202 HE3 LYS 26 HE2 LYS 26 16.540 -12.513 4.602 203 HZ1 LYS 26 HZ1 LYS 26 18.250 -13.238 6.099 204 HZ2 LYS 26 HZ2 LYS 26 17.147 -12.311 6.897 205 HZ3 LYS 26 HZ3 LYS 26 17.143 -13.949 7.088 206 H LEU 27 H LEU 27 12.569 -11.123 1.512 207 HA LEU 27 HA LEU 27 13.145 -8.536 2.783 208 HB2 LEU 27 HB1 LEU 27 14.542 -8.279 0.671 209 HB3 LEU 27 HB2 LEU 27 15.057 -9.516 1.843 210 HG LEU 27 HG LEU 27 13.375 -10.488 -0.400 211 HD11 LEU 27 HD11 LEU 27 15.282 -10.552 -1.993 212 HD12 LEU 27 HD12 LEU 27 14.832 -8.879 -1.598 213 HD13 LEU 27 HD13 LEU 27 16.265 -9.618 -0.844 214 HD21 LEU 27 HD21 LEU 27 15.035 -12.344 -0.339 215 HD22 LEU 27 HD22 LEU 27 16.013 -11.423 0.826 216 HD23 LEU 27 HD23 LEU 27 14.395 -12.006 1.285 217 H THR 28 H THR 28 10.784 -9.898 0.663 218 HA THR 28 HA THR 28 10.022 -7.395 -0.608 219 HB THR 28 HB THR 28 10.499 -8.357 -2.927 220 HG1 THR 28 HG1 THR 28 12.229 -9.859 -2.948 221 HG21 THR 28 HG21 THR 28 12.845 -7.589 -3.026 222 HG22 THR 28 HG22 THR 28 11.838 -6.485 -2.067 223 HG23 THR 28 HG23 THR 28 12.925 -7.635 -1.253 224 H LEU 29 H LEU 29 8.528 -8.047 -2.589 225 HA LEU 29 HA LEU 29 7.215 -10.616 -2.527 226 HB2 LEU 29 HB1 LEU 29 5.044 -10.005 -1.909 227 HB3 LEU 29 HB2 LEU 29 6.127 -9.383 -0.641 228 HG LEU 29 HG LEU 29 4.797 -7.734 -2.812 229 HD11 LEU 29 HD11 LEU 29 3.429 -6.842 -0.932 230 HD12 LEU 29 HD12 LEU 29 3.227 -8.601 -1.092 231 HD13 LEU 29 HD13 LEU 29 4.268 -7.937 0.191 232 HD21 LEU 29 HD21 LEU 29 5.539 -5.748 -1.523 233 HD22 LEU 29 HD22 LEU 29 6.396 -6.814 -0.390 234 HD23 LEU 29 HD23 LEU 29 6.924 -6.705 -2.087 235 H SER 30 H SER 30 5.265 -10.476 -4.330 236 HA SER 30 HA SER 30 6.470 -8.996 -6.587 237 HB2 SER 30 HB1 SER 30 5.415 -10.446 -8.036 238 HB3 SER 30 HB2 SER 30 5.689 -11.494 -6.625 239 HG SER 30 HG SER 30 3.549 -11.673 -7.463 240 H ARG 31 H ARG 31 4.965 -7.842 -8.199 241 HA ARG 31 HA ARG 31 3.490 -5.834 -6.894 242 HB2 ARG 31 HB1 ARG 31 2.843 -6.711 -9.693 243 HB3 ARG 31 HB2 ARG 31 2.724 -5.089 -8.971 244 HG2 ARG 31 HG1 ARG 31 5.236 -6.542 -9.784 245 HG3 ARG 31 HG2 ARG 31 4.458 -5.182 -10.627 246 HD2 ARG 31 HD1 ARG 31 5.732 -5.022 -7.891 247 HD3 ARG 31 HD2 ARG 31 6.531 -4.585 -9.417 248 HE ARG 31 HE ARG 31 4.030 -3.182 -8.704 249 HH11 ARG 31 HH12 ARG 31 7.503 -2.978 -9.313 250 HH12 ARG 31 HH11 ARG 31 7.557 -1.256 -9.061 251 HH21 ARG 31 HH22 ARG 31 4.235 -0.946 -8.229 252 HH22 ARG 31 HH21 ARG 31 5.765 -0.142 -8.466 253 H LYS 32 H LYS 32 2.337 -9.051 -7.967 254 HA LYS 32 HA LYS 32 -0.462 -8.349 -7.552 255 HB2 LYS 32 HB1 LYS 32 1.065 -10.638 -8.591 256 HB3 LYS 32 HB2 LYS 32 -0.432 -11.072 -7.731 257 HG2 LYS 32 HG1 LYS 32 -0.660 -10.790 -10.227 258 HG3 LYS 32 HG2 LYS 32 -1.778 -9.814 -9.244 259 HD2 LYS 32 HD1 LYS 32 -0.460 -7.820 -9.630 260 HD3 LYS 32 HD2 LYS 32 0.788 -8.764 -10.478 261 HE2 LYS 32 HE1 LYS 32 -2.068 -8.629 -11.452 262 HE3 LYS 32 HE2 LYS 32 -0.864 -7.401 -11.891 263 HZ1 LYS 32 HZ1 LYS 32 -1.083 -9.075 -13.585 264 HZ2 LYS 32 HZ2 LYS 32 0.422 -9.123 -12.926 265 HZ3 LYS 32 HZ3 LYS 32 -0.697 -10.265 -12.518 266 H GLU 33 H GLU 33 2.037 -9.944 -5.573 267 HA GLU 33 HA GLU 33 0.327 -10.634 -3.377 268 HB2 GLU 33 HB1 GLU 33 3.250 -9.802 -3.411 269 HB3 GLU 33 HB2 GLU 33 2.407 -10.577 -2.049 270 HG2 GLU 33 HG1 GLU 33 2.578 -11.909 -4.755 271 HG3 GLU 33 HG2 GLU 33 3.904 -12.031 -3.578 272 H LEU 34 H LEU 34 2.338 -7.691 -4.034 273 HA LEU 34 HA LEU 34 1.498 -6.051 -1.940 274 HB2 LEU 34 HB1 LEU 34 3.300 -5.368 -3.318 275 HB3 LEU 34 HB2 LEU 34 2.308 -5.455 -4.793 276 HG LEU 34 HG LEU 34 0.967 -3.538 -3.959 277 HD11 LEU 34 HD11 LEU 34 1.805 -2.170 -2.074 278 HD12 LEU 34 HD12 LEU 34 1.383 -3.814 -1.546 279 HD13 LEU 34 HD13 LEU 34 3.089 -3.364 -1.787 280 HD21 LEU 34 HD21 LEU 34 2.626 -1.745 -4.347 281 HD22 LEU 34 HD22 LEU 34 3.938 -2.918 -4.112 282 HD23 LEU 34 HD23 LEU 34 2.831 -3.083 -5.496 283 H LYS 35 H LYS 35 -0.085 -6.305 -5.221 284 HA LYS 35 HA LYS 35 -2.118 -4.450 -4.572 285 HB2 LYS 35 HB1 LYS 35 -2.997 -4.835 -6.583 286 HB3 LYS 35 HB2 LYS 35 -1.380 -5.532 -6.833 287 HG2 LYS 35 HG1 LYS 35 -2.448 -7.228 -7.756 288 HG3 LYS 35 HG2 LYS 35 -2.817 -7.725 -6.087 289 HD2 LYS 35 HD1 LYS 35 -4.726 -5.898 -7.478 290 HD3 LYS 35 HD2 LYS 35 -4.662 -7.602 -7.985 291 HE2 LYS 35 HE1 LYS 35 -5.231 -6.639 -5.162 292 HE3 LYS 35 HE2 LYS 35 -6.458 -7.146 -6.342 293 HZ1 LYS 35 HZ1 LYS 35 -5.894 -8.911 -4.832 294 HZ2 LYS 35 HZ2 LYS 35 -5.445 -9.314 -6.365 295 HZ3 LYS 35 HZ3 LYS 35 -4.306 -8.842 -5.270 296 H GLU 36 H GLU 36 -1.922 -7.911 -3.783 297 HA GLU 36 HA GLU 36 -4.627 -7.997 -2.762 298 HB2 GLU 36 HB1 GLU 36 -3.337 -9.946 -3.638 299 HB3 GLU 36 HB2 GLU 36 -2.294 -9.850 -2.199 300 HG2 GLU 36 HG1 GLU 36 -4.060 -11.543 -1.945 301 HG3 GLU 36 HG2 GLU 36 -4.202 -10.241 -0.745 302 H LEU 37 H LEU 37 -1.419 -7.824 -1.098 303 HA LEU 37 HA LEU 37 -2.101 -7.503 1.530 304 HB2 LEU 37 HB1 LEU 37 0.121 -7.639 1.048 305 HB3 LEU 37 HB2 LEU 37 0.020 -6.470 -0.290 306 HG LEU 37 HG LEU 37 0.026 -4.628 1.287 307 HD11 LEU 37 HD11 LEU 37 0.580 -4.924 3.675 308 HD12 LEU 37 HD12 LEU 37 -0.992 -5.644 3.274 309 HD13 LEU 37 HD13 LEU 37 0.439 -6.682 3.479 310 HD21 LEU 37 HD21 LEU 37 2.391 -4.894 1.998 311 HD22 LEU 37 HD22 LEU 37 2.265 -6.650 1.748 312 HD23 LEU 37 HD23 LEU 37 2.134 -5.542 0.361 313 H ILE 38 H ILE 38 -2.095 -4.803 -0.852 314 HA ILE 38 HA ILE 38 -2.864 -2.719 0.856 315 HB ILE 38 HB ILE 38 -3.341 -3.149 -2.108 316 HG12 ILE 38 HG13 ILE 38 -1.384 -1.199 -0.879 317 HG13 ILE 38 HG12 ILE 38 -0.960 -2.924 -1.001 318 HG21 ILE 38 HG21 ILE 38 -3.724 -0.699 -2.305 319 HG22 ILE 38 HG22 ILE 38 -4.962 -1.466 -1.290 320 HG23 ILE 38 HG23 ILE 38 -3.635 -0.549 -0.538 321 HD11 ILE 38 HD11 ILE 38 -0.119 -1.659 -2.959 322 HD12 ILE 38 HD12 ILE 38 -1.349 -2.848 -3.442 323 HD13 ILE 38 HD13 ILE 38 -1.776 -1.123 -3.320 324 H LYS 39 H LYS 39 -4.958 -5.230 -0.511 325 HA LYS 39 HA LYS 39 -7.308 -3.859 0.648 326 HB2 LYS 39 HB1 LYS 39 -6.821 -5.383 -1.809 327 HB3 LYS 39 HB2 LYS 39 -8.278 -5.912 -0.932 328 HG2 LYS 39 HG1 LYS 39 -7.635 -3.116 -1.921 329 HG3 LYS 39 HG2 LYS 39 -8.889 -4.218 -2.540 330 HD2 LYS 39 HD1 LYS 39 -8.844 -2.764 0.121 331 HD3 LYS 39 HD2 LYS 39 -9.965 -2.517 -1.240 332 HE2 LYS 39 HE1 LYS 39 -11.344 -4.142 -0.518 333 HE3 LYS 39 HE2 LYS 39 -10.001 -5.285 -0.292 334 HZ1 LYS 39 HZ1 LYS 39 -11.124 -4.814 1.764 335 HZ2 LYS 39 HZ2 LYS 39 -9.571 -4.261 1.827 336 HZ3 LYS 39 HZ3 LYS 39 -10.818 -3.201 1.617 337 H LYS 40 H LYS 40 -5.249 -6.471 1.358 338 HA LYS 40 HA LYS 40 -7.199 -8.119 2.786 339 HB2 LYS 40 HB1 LYS 40 -4.159 -7.977 2.639 340 HB3 LYS 40 HB2 LYS 40 -5.033 -9.169 3.631 341 HG2 LYS 40 HG1 LYS 40 -5.582 -8.903 0.690 342 HG3 LYS 40 HG2 LYS 40 -4.198 -9.850 1.285 343 HD2 LYS 40 HD1 LYS 40 -6.271 -10.747 2.881 344 HD3 LYS 40 HD2 LYS 40 -7.071 -10.482 1.314 345 HE2 LYS 40 HE1 LYS 40 -6.219 -12.744 1.369 346 HE3 LYS 40 HE2 LYS 40 -5.253 -11.795 0.218 347 HZ1 LYS 40 HZ1 LYS 40 -3.880 -13.172 1.608 348 HZ2 LYS 40 HZ2 LYS 40 -3.571 -11.580 1.903 349 HZ3 LYS 40 HZ3 LYS 40 -4.469 -12.459 2.973 350 H GLU 41 H GLU 41 -4.380 -6.136 3.712 351 HA GLU 41 HA GLU 41 -5.092 -6.222 6.528 352 HB2 GLU 41 HB1 GLU 41 -2.939 -4.513 5.305 353 HB3 GLU 41 HB2 GLU 41 -3.025 -5.215 6.939 354 HG2 GLU 41 HG1 GLU 41 -2.527 -6.747 4.379 355 HG3 GLU 41 HG2 GLU 41 -1.284 -6.226 5.538 356 H LEU 42 H LEU 42 -6.172 -4.272 3.979 357 HA LEU 42 HA LEU 42 -6.901 -1.991 5.753 358 HB2 LEU 42 HB1 LEU 42 -5.323 -2.002 3.515 359 HB3 LEU 42 HB2 LEU 42 -6.929 -1.767 2.785 360 HG LEU 42 HG LEU 42 -6.026 0.324 2.954 361 HD11 LEU 42 HD11 LEU 42 -7.337 1.637 4.568 362 HD12 LEU 42 HD12 LEU 42 -8.309 0.380 3.781 363 HD13 LEU 42 HD13 LEU 42 -7.722 0.146 5.447 364 HD21 LEU 42 HD21 LEU 42 -4.905 1.281 4.926 365 HD22 LEU 42 HD22 LEU 42 -5.176 -0.238 5.805 366 HD23 LEU 42 HD23 LEU 42 -4.119 -0.212 4.373 367 H CYS 43 H CYS 43 -8.952 -1.408 5.826 368 HA CYS 43 HA CYS 43 -11.171 -2.769 4.613 369 HB2 CYS 43 HB1 CYS 43 -11.233 -1.815 6.861 370 HB3 CYS 43 HB2 CYS 43 -10.968 -0.185 6.193 371 HG CYS 43 HG CYS 43 -13.455 -0.440 6.966 372 H LEU 44 H LEU 44 -11.229 0.664 4.548 373 HA LEU 44 HA LEU 44 -11.069 2.273 3.039 374 HB2 LEU 44 HB1 LEU 44 -9.318 0.666 1.907 375 HB3 LEU 44 HB2 LEU 44 -10.591 0.530 0.669 376 HG LEU 44 HG LEU 44 -9.556 3.198 1.666 377 HD11 LEU 44 HD11 LEU 44 -8.073 3.215 -0.321 378 HD12 LEU 44 HD12 LEU 44 -7.672 1.868 0.771 379 HD13 LEU 44 HD13 LEU 44 -8.594 1.560 -0.720 380 HD21 LEU 44 HD21 LEU 44 -10.409 4.055 -0.493 381 HD22 LEU 44 HD22 LEU 44 -10.961 2.420 -0.917 382 HD23 LEU 44 HD23 LEU 44 -11.700 3.282 0.453 383 H GLY 45 H GLY 45 -12.640 -0.466 1.245 384 HA2 GLY 45 HA2 GLY 45 -13.919 -0.409 -0.013 385 H GLU 46 H GLU 46 -14.874 2.780 -0.847 386 HA GLU 46 HA GLU 46 -13.505 2.254 -3.334 387 HB2 GLU 46 HB1 GLU 46 -15.619 1.703 -4.611 388 HB3 GLU 46 HB2 GLU 46 -14.939 0.424 -3.576 389 HG2 GLU 46 HG1 GLU 46 -16.656 1.205 -1.807 390 HG3 GLU 46 HG2 GLU 46 -17.441 2.075 -3.142 391 H MET 47 H MET 47 -14.477 4.478 -1.341 392 HA MET 47 HA MET 47 -15.920 6.406 -2.826 393 HB2 MET 47 HB1 MET 47 -13.725 6.859 -0.775 394 HB3 MET 47 HB2 MET 47 -14.921 8.062 -1.312 395 HG2 MET 47 HG1 MET 47 -15.735 7.309 0.737 396 HG3 MET 47 HG2 MET 47 -16.702 6.450 -0.472 397 HE1 MET 47 HE1 MET 47 -13.314 4.483 2.016 398 HE2 MET 47 HE2 MET 47 -13.016 5.608 0.670 399 HE3 MET 47 HE3 MET 47 -13.791 6.190 2.163 400 H LYS 48 H LYS 48 -12.376 5.765 -2.793 401 HA LYS 48 HA LYS 48 -12.244 6.898 -5.533 402 HB2 LYS 48 HB1 LYS 48 -10.247 5.650 -3.609 403 HB3 LYS 48 HB2 LYS 48 -9.851 6.146 -5.271 404 HG2 LYS 48 HG1 LYS 48 -10.563 7.910 -2.936 405 HG3 LYS 48 HG2 LYS 48 -8.998 7.773 -3.774 406 HD2 LYS 48 HD1 LYS 48 -9.694 9.582 -4.968 407 HD3 LYS 48 HD2 LYS 48 -10.741 8.435 -5.839 408 HE2 LYS 48 HE1 LYS 48 -12.407 9.798 -5.059 409 HE3 LYS 48 HE2 LYS 48 -12.225 8.798 -3.601 410 HZ1 LYS 48 HZ1 LYS 48 -12.218 11.136 -3.082 411 HZ2 LYS 48 HZ2 LYS 48 -10.756 10.471 -2.717 412 HZ3 LYS 48 HZ3 LYS 48 -10.924 11.399 -4.069 413 H GLU 49 H GLU 49 -11.815 5.550 -7.252 414 HA GLU 49 HA GLU 49 -12.602 2.698 -7.025 415 HB2 GLU 49 HB1 GLU 49 -13.967 3.377 -9.196 416 HB3 GLU 49 HB2 GLU 49 -14.646 3.517 -7.556 417 HG2 GLU 49 HG1 GLU 49 -15.161 5.452 -9.052 418 HG3 GLU 49 HG2 GLU 49 -14.328 5.899 -7.548 419 H SER 50 H SER 50 -12.486 3.945 -10.264 420 HA SER 50 HA SER 50 -10.076 2.812 -11.111 421 HB2 SER 50 HB1 SER 50 -10.617 5.416 -12.367 422 HB3 SER 50 HB2 SER 50 -10.559 3.789 -13.086 423 HG SER 50 HG SER 50 -12.631 4.766 -13.261 424 H SER 51 H SER 51 -10.542 5.874 -9.319 425 HA SER 51 HA SER 51 -7.866 6.831 -9.579 426 HB2 SER 51 HB1 SER 51 -9.654 8.254 -8.814 427 HB3 SER 51 HB2 SER 51 -9.989 7.179 -7.436 428 HG SER 51 HG SER 51 -8.767 9.035 -6.842 429 H ILE 52 H ILE 52 -8.875 3.947 -7.873 430 HA ILE 52 HA ILE 52 -6.018 3.848 -7.103 431 HB ILE 52 HB ILE 52 -6.790 3.445 -5.077 432 HG12 ILE 52 HG13 ILE 52 -7.051 0.660 -6.223 433 HG13 ILE 52 HG12 ILE 52 -5.535 1.472 -5.764 434 HG21 ILE 52 HG21 ILE 52 -8.885 2.393 -4.354 435 HG22 ILE 52 HG22 ILE 52 -9.161 3.733 -5.482 436 HG23 ILE 52 HG23 ILE 52 -9.283 2.050 -6.048 437 HD11 ILE 52 HD11 ILE 52 -6.199 -0.201 -4.070 438 HD12 ILE 52 HD12 ILE 52 -6.233 1.446 -3.412 439 HD13 ILE 52 HD13 ILE 52 -7.749 0.635 -3.872 440 H ASP 53 H ASP 53 -8.624 2.124 -8.942 441 HA ASP 53 HA ASP 53 -6.899 -0.097 -9.384 442 HB2 ASP 53 HB1 ASP 53 -9.442 -0.079 -9.748 443 HB3 ASP 53 HB2 ASP 53 -9.048 0.500 -11.381 444 H ASP 54 H ASP 54 -6.928 3.048 -11.087 445 HA ASP 54 HA ASP 54 -5.293 2.368 -13.272 446 HB2 ASP 54 HB1 ASP 54 -6.123 4.630 -12.875 447 HB3 ASP 54 HB2 ASP 54 -5.166 4.758 -11.383 448 H LEU 55 H LEU 55 -4.355 2.906 -9.873 449 HA LEU 55 HA LEU 55 -1.527 2.531 -10.249 450 HB2 LEU 55 HB1 LEU 55 -3.155 2.289 -7.705 451 HB3 LEU 55 HB2 LEU 55 -1.419 2.653 -7.853 452 HG LEU 55 HG LEU 55 -3.680 4.486 -8.726 453 HD11 LEU 55 HD11 LEU 55 -3.030 5.818 -6.734 454 HD12 LEU 55 HD12 LEU 55 -3.559 4.184 -6.268 455 HD13 LEU 55 HD13 LEU 55 -1.825 4.581 -6.302 456 HD21 LEU 55 HD21 LEU 55 -1.904 6.200 -8.942 457 HD22 LEU 55 HD22 LEU 55 -0.679 4.980 -8.525 458 HD23 LEU 55 HD23 LEU 55 -1.612 4.829 -10.034 459 H MET 56 H MET 56 -4.192 0.403 -9.075 460 HA MET 56 HA MET 56 -2.633 -1.952 -8.696 461 HB2 MET 56 HB1 MET 56 -5.561 -1.692 -9.473 462 HB3 MET 56 HB2 MET 56 -4.782 -3.119 -8.747 463 HG2 MET 56 HG1 MET 56 -4.949 -0.414 -7.395 464 HG3 MET 56 HG2 MET 56 -6.151 -1.696 -7.177 465 HE1 MET 56 HE1 MET 56 -4.782 -4.019 -4.635 466 HE2 MET 56 HE2 MET 56 -6.163 -3.009 -5.127 467 HE3 MET 56 HE3 MET 56 -5.457 -4.172 -6.275 468 H LYS 57 H LYS 57 -4.006 -0.497 -11.601 469 HA LYS 57 HA LYS 57 -3.580 -2.787 -13.334 470 HB2 LYS 57 HB1 LYS 57 -5.372 -1.014 -13.549 471 HB3 LYS 57 HB2 LYS 57 -4.090 0.123 -14.038 472 HG2 LYS 57 HG1 LYS 57 -5.441 -0.887 -15.919 473 HG3 LYS 57 HG2 LYS 57 -3.677 -1.073 -16.057 474 HD2 LYS 57 HD1 LYS 57 -4.952 -3.152 -16.611 475 HD3 LYS 57 HD2 LYS 57 -3.792 -3.355 -15.278 476 HE2 LYS 57 HE1 LYS 57 -5.680 -3.081 -13.652 477 HE3 LYS 57 HE2 LYS 57 -6.810 -3.001 -15.020 478 HZ1 LYS 57 HZ1 LYS 57 -6.699 -5.195 -14.085 479 HZ2 LYS 57 HZ2 LYS 57 -6.125 -5.208 -15.631 480 HZ3 LYS 57 HZ3 LYS 57 -5.077 -5.282 -14.360 481 H SER 58 H SER 58 -1.850 0.137 -12.495 482 HA SER 58 HA SER 58 0.491 -0.248 -14.052 483 HB2 SER 58 HB1 SER 58 -0.320 1.753 -12.567 484 HB3 SER 58 HB2 SER 58 0.571 0.910 -11.279 485 HG SER 58 HG SER 58 1.879 2.393 -12.441 486 H LEU 59 H LEU 59 -0.316 -1.540 -10.731 487 HA LEU 59 HA LEU 59 1.971 -3.226 -10.515 488 HB2 LEU 59 HB1 LEU 59 -0.829 -3.590 -9.398 489 HB3 LEU 59 HB2 LEU 59 0.618 -4.485 -8.874 490 HG LEU 59 HG LEU 59 0.079 -1.524 -8.530 491 HD11 LEU 59 HD11 LEU 59 0.056 -2.088 -6.117 492 HD12 LEU 59 HD12 LEU 59 -1.184 -3.002 -7.007 493 HD13 LEU 59 HD13 LEU 59 0.331 -3.800 -6.518 494 HD21 LEU 59 HD21 LEU 59 2.182 -1.431 -7.233 495 HD22 LEU 59 HD22 LEU 59 2.502 -3.130 -7.643 496 HD23 LEU 59 HD23 LEU 59 2.479 -1.895 -8.923 497 H ASP 60 H ASP 60 -0.405 -3.422 -12.853 498 HA ASP 60 HA ASP 60 -0.114 -6.347 -13.289 499 HB2 ASP 60 HB1 ASP 60 -2.354 -5.379 -12.723 500 HB3 ASP 60 HB2 ASP 60 -2.280 -4.458 -14.241 501 H LYS 61 H LYS 61 1.660 -3.923 -14.191 502 HA LYS 61 HA LYS 61 1.725 -4.591 -17.079 503 HB2 LYS 61 HB1 LYS 61 3.423 -2.582 -15.583 504 HB3 LYS 61 HB2 LYS 61 3.213 -2.734 -17.345 505 HG2 LYS 61 HG1 LYS 61 1.044 -1.887 -15.423 506 HG3 LYS 61 HG2 LYS 61 2.103 -0.768 -16.315 507 HD2 LYS 61 HD1 LYS 61 0.007 -0.825 -17.440 508 HD3 LYS 61 HD2 LYS 61 1.171 -1.722 -18.446 509 HE2 LYS 61 HE1 LYS 61 0.277 -3.827 -17.776 510 HE3 LYS 61 HE2 LYS 61 -0.660 -3.093 -16.458 511 HZ1 LYS 61 HZ1 LYS 61 -2.036 -3.650 -18.324 512 HZ2 LYS 61 HZ2 LYS 61 -2.010 -2.017 -18.103 513 HZ3 LYS 61 HZ3 LYS 61 -1.139 -2.699 -19.327 514 H ASN 62 H ASN 62 3.746 -4.782 -14.173 515 HA ASN 62 HA ASN 62 5.712 -6.560 -15.520 516 HB2 ASN 62 HB1 ASN 62 6.166 -3.898 -14.168 517 HB3 ASN 62 HB2 ASN 62 7.424 -5.152 -14.098 518 HD21 ASN 62 HD21 ASN 62 8.598 -5.666 -15.968 519 HD22 ASN 62 HD22 ASN 62 8.414 -4.801 -17.483 520 H SER 63 H SER 63 4.209 -8.082 -14.236 521 HA SER 63 HA SER 63 3.723 -7.236 -11.503 522 HB2 SER 63 HB1 SER 63 2.315 -9.526 -11.735 523 HB3 SER 63 HB2 SER 63 1.742 -7.924 -12.262 524 HG SER 63 HG SER 63 1.385 -9.558 -13.831 525 H ASP 64 H ASP 64 6.038 -9.251 -12.784 526 HA ASP 64 HA ASP 64 5.672 -11.526 -10.882 527 HB2 ASP 64 HB1 ASP 64 6.638 -11.562 -13.770 528 HB3 ASP 64 HB2 ASP 64 6.267 -12.964 -12.745 529 H GLN 65 H GLN 65 7.155 -9.048 -10.862 530 HA GLN 65 HA GLN 65 10.015 -9.767 -10.537 531 HB2 GLN 65 HB1 GLN 65 8.417 -7.202 -10.980 532 HB3 GLN 65 HB2 GLN 65 10.148 -7.215 -10.565 533 HG2 GLN 65 HG1 GLN 65 10.675 -8.371 -12.649 534 HG3 GLN 65 HG2 GLN 65 8.949 -8.489 -13.052 535 HE21 GLN 65 HE12 GLN 65 10.188 -5.489 -11.589 536 HE22 GLN 65 HE22 GLN 65 10.075 -4.532 -13.048 537 H GLU 66 H GLU 66 11.028 -8.906 -8.555 538 HA GLU 66 HA GLU 66 9.188 -8.775 -6.309 539 HB2 GLU 66 HB1 GLU 66 12.198 -8.491 -6.437 540 HB3 GLU 66 HB2 GLU 66 11.241 -8.481 -4.937 541 HG2 GLU 66 HG1 GLU 66 10.358 -10.777 -5.658 542 HG3 GLU 66 HG2 GLU 66 11.634 -10.767 -6.897 543 H ILE 67 H ILE 67 9.078 -7.104 -4.760 544 HA ILE 67 HA ILE 67 10.039 -4.411 -5.477 545 HB ILE 67 HB ILE 67 7.698 -3.759 -4.266 546 HG12 ILE 67 HG13 ILE 67 6.870 -5.972 -6.137 547 HG13 ILE 67 HG12 ILE 67 6.945 -6.143 -4.367 548 HG21 ILE 67 HG21 ILE 67 6.951 -2.988 -6.467 549 HG22 ILE 67 HG22 ILE 67 8.687 -2.697 -6.216 550 HG23 ILE 67 HG23 ILE 67 8.151 -4.048 -7.243 551 HD11 ILE 67 HD11 ILE 67 4.656 -5.633 -5.118 552 HD12 ILE 67 HD12 ILE 67 5.319 -4.320 -4.123 553 HD13 ILE 67 HD13 ILE 67 5.247 -4.147 -5.893 554 H ASP 68 H ASP 68 10.129 -2.960 -3.786 555 HA ASP 68 HA ASP 68 10.553 -4.174 -1.120 556 HB2 ASP 68 HB1 ASP 68 12.390 -2.702 -0.880 557 HB3 ASP 68 HB2 ASP 68 12.484 -3.266 -2.563 558 H PHE 69 H PHE 69 10.779 -2.340 0.551 559 HA PHE 69 HA PHE 69 8.232 -1.498 1.333 560 HB2 PHE 69 HB1 PHE 69 10.372 -2.046 2.614 561 HB3 PHE 69 HB2 PHE 69 10.907 -0.399 2.244 562 HD1 PHE 69 HD2 PHE 69 7.620 -1.812 3.416 563 HD2 PHE 69 HD1 PHE 69 10.961 0.753 4.277 564 HE1 PHE 69 HE2 PHE 69 6.420 -0.910 5.391 565 HE2 PHE 69 HE1 PHE 69 9.772 1.640 6.269 566 HZ PHE 69 HZ PHE 69 7.457 0.876 6.777 567 H LYS 70 H LYS 70 10.499 0.251 -0.723 568 HA LYS 70 HA LYS 70 9.573 2.932 -0.367 569 HB2 LYS 70 HB1 LYS 70 11.699 2.171 -1.366 570 HB3 LYS 70 HB2 LYS 70 10.795 1.431 -2.709 571 HG2 LYS 70 HG1 LYS 70 9.998 3.865 -3.181 572 HG3 LYS 70 HG2 LYS 70 11.401 4.324 -2.185 573 HD2 LYS 70 HD1 LYS 70 11.415 2.597 -4.692 574 HD3 LYS 70 HD2 LYS 70 12.067 4.244 -4.528 575 HE2 LYS 70 HE1 LYS 70 14.010 3.022 -4.412 576 HE3 LYS 70 HE2 LYS 70 13.594 3.115 -2.687 577 HZ1 LYS 70 HZ1 LYS 70 14.226 0.899 -3.331 578 HZ2 LYS 70 HZ2 LYS 70 12.647 0.926 -2.863 579 HZ3 LYS 70 HZ3 LYS 70 13.031 0.839 -4.464 580 H GLU 71 H GLU 71 8.897 0.517 -2.951 581 HA GLU 71 HA GLU 71 7.013 2.131 -4.330 582 HB2 GLU 71 HB1 GLU 71 7.489 -0.865 -4.353 583 HB3 GLU 71 HB2 GLU 71 6.425 -0.006 -5.490 584 HG2 GLU 71 HG1 GLU 71 8.770 1.495 -5.580 585 HG3 GLU 71 HG2 GLU 71 9.374 -0.170 -5.421 586 H TYR 72 H TYR 72 6.656 -0.363 -1.839 587 HA TYR 72 HA TYR 72 3.842 -0.321 -1.540 588 HB2 TYR 72 HB1 TYR 72 5.298 -1.980 -0.597 589 HB3 TYR 72 HB2 TYR 72 6.168 -0.757 0.344 590 HD1 TYR 72 HD2 TYR 72 2.593 -1.895 -0.043 591 HD2 TYR 72 HD1 TYR 72 5.730 -0.675 2.627 592 HE1 TYR 72 HE2 TYR 72 1.248 -2.691 1.881 593 HE2 TYR 72 HE1 TYR 72 4.392 -1.477 4.566 594 HH TYR 72 HH TYR 72 1.208 -3.120 4.116 595 H SER 73 H SER 73 6.324 1.800 0.084 596 HA SER 73 HA SER 73 4.392 3.186 1.654 597 HB2 SER 73 HB1 SER 73 6.148 4.659 2.265 598 HB3 SER 73 HB2 SER 73 6.893 3.058 2.044 599 HG SER 73 HG SER 73 8.108 4.750 1.065 600 H VAL 74 H VAL 74 5.734 3.964 -1.614 601 HA VAL 74 HA VAL 74 4.352 6.491 -1.704 602 HB VAL 74 HB VAL 74 4.795 6.550 -4.102 603 HG11 VAL 74 HG11 VAL 74 7.252 6.735 -3.931 604 HG12 VAL 74 HG12 VAL 74 6.442 7.395 -2.493 605 HG13 VAL 74 HG13 VAL 74 7.211 5.791 -2.427 606 HG21 VAL 74 HG21 VAL 74 6.228 4.891 -5.223 607 HG22 VAL 74 HG22 VAL 74 6.171 3.874 -3.769 608 HG23 VAL 74 HG23 VAL 74 4.686 4.187 -4.698 609 H PHE 75 H PHE 75 3.476 3.140 -2.646 610 HA PHE 75 HA PHE 75 1.082 3.909 -4.042 611 HB2 PHE 75 HB1 PHE 75 2.360 1.647 -4.003 612 HB3 PHE 75 HB2 PHE 75 1.459 1.327 -2.511 613 HD1 PHE 75 HD2 PHE 75 -1.209 1.670 -2.706 614 HD2 PHE 75 HD1 PHE 75 1.474 1.014 -6.013 615 HE1 PHE 75 HE2 PHE 75 -3.126 0.960 -4.123 616 HE2 PHE 75 HE1 PHE 75 -0.439 0.297 -7.417 617 HZ PHE 75 HZ PHE 75 -2.732 0.251 -6.476 618 H LEU 76 H LEU 76 1.652 2.825 -0.618 619 HA LEU 76 HA LEU 76 -1.025 3.249 0.242 620 HB2 LEU 76 HB1 LEU 76 1.612 3.207 1.731 621 HB3 LEU 76 HB2 LEU 76 0.022 3.276 2.529 622 HG LEU 76 HG LEU 76 1.063 1.018 0.776 623 HD11 LEU 76 HD11 LEU 76 1.080 -0.222 2.924 624 HD12 LEU 76 HD12 LEU 76 2.129 1.215 3.005 625 HD13 LEU 76 HD13 LEU 76 0.525 1.242 3.774 626 HD21 LEU 76 HD21 LEU 76 -0.964 -0.218 1.474 627 HD22 LEU 76 HD22 LEU 76 -1.551 1.228 2.326 628 HD23 LEU 76 HD23 LEU 76 -1.385 1.244 0.553 629 H THR 77 H THR 77 1.788 5.504 0.176 630 HA THR 77 HA THR 77 0.366 7.622 1.500 631 HB THR 77 HB THR 77 2.788 7.806 -0.319 632 HG1 THR 77 HG1 THR 77 3.793 7.903 1.742 633 HG21 THR 77 HG21 THR 77 3.103 9.990 0.820 634 HG22 THR 77 HG22 THR 77 1.564 9.958 -0.075 635 HG23 THR 77 HG23 THR 77 1.569 9.758 1.693 636 H MET 78 H MET 78 1.010 6.983 -2.009 637 HA MET 78 HA MET 78 -0.510 9.092 -3.079 638 HB2 MET 78 HB1 MET 78 0.994 7.493 -4.289 639 HB3 MET 78 HB2 MET 78 -0.267 6.249 -4.125 640 HG2 MET 78 HG1 MET 78 -0.915 6.927 -6.154 641 HG3 MET 78 HG2 MET 78 -1.668 8.278 -5.291 642 HE1 MET 78 HE1 MET 78 2.115 8.227 -7.850 643 HE2 MET 78 HE2 MET 78 1.902 7.147 -6.444 644 HE3 MET 78 HE3 MET 78 0.785 7.037 -7.827 645 H LEU 79 H LEU 79 -1.601 5.857 -1.971 646 HA LEU 79 HA LEU 79 -4.338 6.172 -2.744 647 HB2 LEU 79 HB1 LEU 79 -3.192 4.022 -2.401 648 HB3 LEU 79 HB2 LEU 79 -3.027 4.389 -0.667 649 HG LEU 79 HG LEU 79 -5.422 4.281 -0.354 650 HD11 LEU 79 HD11 LEU 79 -6.974 3.720 -2.195 651 HD12 LEU 79 HD12 LEU 79 -6.150 5.267 -2.492 652 HD13 LEU 79 HD13 LEU 79 -5.629 3.800 -3.354 653 HD21 LEU 79 HD21 LEU 79 -5.758 1.890 -0.904 654 HD22 LEU 79 HD22 LEU 79 -4.389 1.956 -2.040 655 HD23 LEU 79 HD23 LEU 79 -4.110 2.185 -0.296 656 H CYS 80 H CYS 80 -2.706 6.657 0.501 657 HA CYS 80 HA CYS 80 -5.111 7.646 1.697 658 HB2 CYS 80 HB1 CYS 80 -3.058 6.804 2.890 659 HB3 CYS 80 HB2 CYS 80 -2.254 8.337 2.469 660 HG CYS 80 HG CYS 80 -3.111 8.431 4.942 661 H MET 81 H MET 81 -2.628 9.282 -0.239 662 HA MET 81 HA MET 81 -3.680 11.937 0.052 663 HB2 MET 81 HB1 MET 81 -1.361 11.431 -0.511 664 HB3 MET 81 HB2 MET 81 -1.885 10.716 -2.055 665 HG2 MET 81 HG1 MET 81 -2.949 13.358 -1.896 666 HG3 MET 81 HG2 MET 81 -1.238 13.436 -1.445 667 HE1 MET 81 HE1 MET 81 -2.653 11.677 -5.533 668 HE2 MET 81 HE2 MET 81 -2.769 10.798 -3.994 669 HE3 MET 81 HE3 MET 81 -3.783 12.233 -4.281 670 H ALA 82 H ALA 82 -4.885 9.210 -1.675 671 HA ALA 82 HA ALA 82 -6.349 10.802 -3.610 672 HB1 ALA 82 HB1 ALA 82 -7.319 8.645 -4.275 673 HB2 ALA 82 HB2 ALA 82 -5.544 8.568 -4.164 674 HB3 ALA 82 HB3 ALA 82 -6.548 7.866 -2.872 675 H TYR 83 H TYR 83 -6.825 10.561 -0.291 676 HA TYR 83 HA TYR 83 -9.471 11.646 -0.508 677 HB2 TYR 83 HB1 TYR 83 -10.647 9.905 0.853 678 HB3 TYR 83 HB2 TYR 83 -10.237 9.440 -0.808 679 HD1 TYR 83 HD1 TYR 83 -9.162 9.022 2.766 680 HD2 TYR 83 HD2 TYR 83 -8.984 7.517 -1.263 681 HE1 TYR 83 HE1 TYR 83 -7.987 6.989 3.582 682 HE2 TYR 83 HE2 TYR 83 -7.908 5.439 -0.451 683 HH TYR 83 HH TYR 83 -7.050 4.317 1.362 684 H ASN 84 H ASN 84 -6.732 12.048 0.907 685 HA ASN 84 HA ASN 84 -7.545 12.357 3.665 686 HB2 ASN 84 HB1 ASN 84 -5.341 13.436 3.971 687 HB3 ASN 84 HB2 ASN 84 -5.288 11.793 3.295 688 HD21 ASN 84 HD21 ASN 84 -3.016 13.150 3.041 689 HD22 ASN 84 HD22 ASN 84 -2.784 13.716 1.395 690 H ASP 85 H ASP 85 -8.903 13.883 1.348 691 HA ASP 85 HA ASP 85 -8.841 16.630 2.036 692 HB2 ASP 85 HB1 ASP 85 -11.293 15.150 1.066 693 HB3 ASP 85 HB2 ASP 85 -10.778 16.811 0.705 694 H PHE 86 H PHE 86 -10.009 13.976 3.925 695 HA PHE 86 HA PHE 86 -11.828 15.385 5.601 696 HB2 PHE 86 HB1 PHE 86 -9.906 13.087 6.072 697 HB3 PHE 86 HB2 PHE 86 -11.028 13.672 7.313 698 HD1 PHE 86 HD1 PHE 86 -13.561 13.795 6.605 699 HD2 PHE 86 HD2 PHE 86 -10.600 11.368 4.631 700 HE1 PHE 86 HE1 PHE 86 -15.359 12.354 5.681 701 HE2 PHE 86 HE2 PHE 86 -12.402 9.935 3.694 702 HZ PHE 86 HZ PHE 86 -14.784 10.428 4.219 703 H PHE 87 H PHE 87 -8.526 16.100 5.058 704 HA PHE 87 HA PHE 87 -8.209 17.353 7.730 705 HB2 PHE 87 HB1 PHE 87 -5.915 15.991 6.330 706 HB3 PHE 87 HB2 PHE 87 -6.077 16.437 8.037 707 HD1 PHE 87 HD2 PHE 87 -8.307 15.109 9.155 708 HD2 PHE 87 HD1 PHE 87 -5.749 13.769 5.967 709 HE1 PHE 87 HE2 PHE 87 -8.992 12.758 9.583 710 HE2 PHE 87 HE1 PHE 87 -6.471 11.428 6.357 711 HZ PHE 87 HZ PHE 87 -8.081 10.918 8.183 712 H LEU 88 H LEU 88 -8.836 18.548 4.988 713 HA LEU 88 HA LEU 88 -6.386 20.165 4.601 714 HB2 LEU 88 HB1 LEU 88 -7.294 20.717 2.397 715 HB3 LEU 88 HB2 LEU 88 -6.975 18.986 2.662 716 HG LEU 88 HG LEU 88 -9.301 18.504 2.771 717 HD11 LEU 88 HD11 LEU 88 -11.097 20.125 2.344 718 HD12 LEU 88 HD12 LEU 88 -10.219 20.489 3.842 719 HD13 LEU 88 HD13 LEU 88 -9.904 21.438 2.370 720 HD21 LEU 88 HD21 LEU 88 -9.894 19.065 0.436 721 HD22 LEU 88 HD22 LEU 88 -8.643 20.331 0.426 722 HD23 LEU 88 HD23 LEU 88 -8.177 18.621 0.584 723 H GLU 89 H GLU 89 -7.285 22.489 3.448 724 HA GLU 89 HA GLU 89 -9.599 23.517 5.049 725 HB2 GLU 89 HB1 GLU 89 -7.235 25.015 3.853 726 HB3 GLU 89 HB2 GLU 89 -8.730 25.813 4.399 727 HG2 GLU 89 HG1 GLU 89 -6.906 24.241 6.208 728 HG3 GLU 89 HG2 GLU 89 -6.756 25.988 5.918 729 H ASP 90 H ASP 90 -8.075 23.003 1.835 730 HA ASP 90 HA ASP 90 -10.178 24.418 0.427 731 HB2 ASP 90 HB1 ASP 90 -8.851 26.319 -0.269 732 HB3 ASP 90 HB2 ASP 90 -8.879 26.246 1.507 733 H ASN 91 H ASN 91 -10.331 23.836 -1.644 734 HA ASN 91 HA ASN 91 -8.048 22.709 -3.097 735 HB2 ASN 91 HB1 ASN 91 -10.592 22.251 -3.467 736 HB3 ASN 91 HB2 ASN 91 -10.572 23.794 -4.349 737 HD21 ASN 91 HD21 ASN 91 -8.598 23.895 -6.027 738 HD22 ASN 91 HD22 ASN 91 -8.378 22.439 -6.989 739 H LYS 92 H LYS 92 -6.381 24.370 -3.019 740 HA LYS 92 HA LYS 92 -6.659 26.696 -4.682 741 HB2 LYS 92 HB1 LYS 92 -4.659 25.298 -3.265 742 HB3 LYS 92 HB2 LYS 92 -4.141 25.298 -4.968 743 HG2 LYS 92 HG1 LYS 92 -3.211 27.228 -4.055 744 HG3 LYS 92 HG2 LYS 92 -4.634 27.779 -4.973 745 HD2 LYS 92 HD1 LYS 92 -4.788 27.351 -2.003 746 HD3 LYS 92 HD2 LYS 92 -4.078 28.838 -2.679 747 HE2 LYS 92 HE1 LYS 92 -6.230 29.548 -2.355 748 HE3 LYS 92 HE2 LYS 92 -6.373 28.919 -4.011 749 HZ1 LYS 92 HZ1 LYS 92 -8.150 28.159 -2.614 750 HZ2 LYS 92 HZ2 LYS 92 -7.222 26.885 -3.097 751 HZ3 LYS 92 HZ3 LYS 92 -7.089 27.467 -1.560 752 HA MET 1 HA MET 1 -11.447 4.785 10.606 753 HB2 MET 1 HB1 MET 1 -9.813 3.278 8.568 754 HB3 MET 1 HB2 MET 1 -11.584 3.317 8.741 755 HG2 MET 1 HG1 MET 1 -9.720 5.507 7.808 756 HG3 MET 1 HG2 MET 1 -11.091 4.782 6.953 757 HE1 MET 1 HE1 MET 1 -13.989 6.973 7.632 758 HE2 MET 1 HE2 MET 1 -12.903 6.338 6.373 759 HE3 MET 1 HE3 MET 1 -13.641 5.231 7.554 760 H GLU 2 H GLU 2 -9.966 1.707 9.918 761 HA GLU 2 HA GLU 2 -10.379 1.006 12.755 762 HB2 GLU 2 HB1 GLU 2 -12.069 -0.597 12.253 763 HB3 GLU 2 HB2 GLU 2 -12.531 0.979 11.567 764 HG2 GLU 2 HG1 GLU 2 -11.613 -1.493 10.088 765 HG3 GLU 2 HG2 GLU 2 -13.220 -0.732 10.060 766 H THR 3 H THR 3 -9.042 -0.128 9.667 767 HA THR 3 HA THR 3 -8.495 -2.819 10.608 768 HB THR 3 HB THR 3 -7.491 -2.845 8.146 769 HG1 THR 3 HG1 THR 3 -8.691 -1.407 6.823 770 HG21 THR 3 HG21 THR 3 -9.761 -3.454 7.374 771 HG22 THR 3 HG22 THR 3 -9.431 -4.109 8.995 772 HG23 THR 3 HG23 THR 3 -10.457 -2.666 8.810 773 HA PRO 4 HA PRO 4 -4.543 -2.694 11.966 774 HB2 PRO 4 HB1 PRO 4 -3.037 -4.678 10.696 775 HB3 PRO 4 HB2 PRO 4 -4.240 -4.924 12.004 776 HG2 PRO 4 HG1 PRO 4 -4.646 -5.194 9.030 777 HG3 PRO 4 HG2 PRO 4 -5.212 -6.293 10.330 778 HD2 PRO 4 HD1 PRO 4 -6.886 -4.474 9.215 779 HD3 PRO 4 HD2 PRO 4 -6.912 -4.748 10.984 780 H LEU 5 H LEU 5 -4.071 -2.903 8.344 781 HA LEU 5 HA LEU 5 -1.578 -1.467 8.516 782 HB2 LEU 5 HB1 LEU 5 -2.032 -2.953 6.690 783 HB3 LEU 5 HB2 LEU 5 -3.475 -2.019 6.226 784 HG LEU 5 HG LEU 5 -2.085 -0.160 5.499 785 HD11 LEU 5 HD11 LEU 5 0.385 -0.326 5.416 786 HD12 LEU 5 HD12 LEU 5 -0.210 -0.373 7.091 787 HD13 LEU 5 HD13 LEU 5 0.307 -1.875 6.287 788 HD21 LEU 5 HD21 LEU 5 -1.007 -1.303 3.576 789 HD22 LEU 5 HD22 LEU 5 -1.114 -2.856 4.437 790 HD23 LEU 5 HD23 LEU 5 -2.599 -2.013 3.932 791 H GLU 6 H GLU 6 -4.971 -0.386 8.246 792 HA GLU 6 HA GLU 6 -4.279 2.232 7.336 793 HB2 GLU 6 HB1 GLU 6 -6.443 2.737 7.310 794 HB3 GLU 6 HB2 GLU 6 -6.559 0.961 7.325 795 HG2 GLU 6 HG1 GLU 6 -8.245 1.694 8.738 796 HG3 GLU 6 HG2 GLU 6 -6.943 1.150 9.818 797 H LYS 7 H LYS 7 -4.240 0.799 10.552 798 HA LYS 7 HA LYS 7 -4.362 3.177 12.069 799 HB2 LYS 7 HB1 LYS 7 -2.542 0.881 12.775 800 HB3 LYS 7 HB2 LYS 7 -3.362 2.028 13.860 801 HG2 LYS 7 HG1 LYS 7 -4.420 -0.411 12.491 802 HG3 LYS 7 HG2 LYS 7 -4.521 0.076 14.200 803 HD2 LYS 7 HD1 LYS 7 -6.041 1.432 11.974 804 HD3 LYS 7 HD2 LYS 7 -6.677 0.065 12.922 805 HE2 LYS 7 HE1 LYS 7 -6.538 1.426 14.970 806 HE3 LYS 7 HE2 LYS 7 -5.912 2.791 14.021 807 HZ1 LYS 7 HZ1 LYS 7 -8.281 2.919 14.307 808 HZ2 LYS 7 HZ2 LYS 7 -7.920 2.714 12.709 809 HZ3 LYS 7 HZ3 LYS 7 -8.501 1.448 13.592 810 H ALA 8 H ALA 8 -1.704 1.820 10.150 811 HA ALA 8 HA ALA 8 0.317 3.611 11.090 812 HB1 ALA 8 HB1 ALA 8 1.548 2.871 9.092 813 HB2 ALA 8 HB2 ALA 8 0.812 1.497 9.951 814 HB3 ALA 8 HB3 ALA 8 0.065 2.118 8.459 815 H LEU 9 H LEU 9 -1.846 3.761 8.184 816 HA LEU 9 HA LEU 9 -0.901 6.304 7.311 817 HB2 LEU 9 HB1 LEU 9 -3.469 4.790 6.832 818 HB3 LEU 9 HB2 LEU 9 -3.138 6.380 6.102 819 HG LEU 9 HG LEU 9 -2.718 4.790 4.451 820 HD11 LEU 9 HD11 LEU 9 -0.321 5.032 3.917 821 HD12 LEU 9 HD12 LEU 9 -1.014 6.540 4.548 822 HD13 LEU 9 HD13 LEU 9 -0.006 5.515 5.597 823 HD21 LEU 9 HD21 LEU 9 -1.235 2.827 4.640 824 HD22 LEU 9 HD22 LEU 9 -0.952 3.217 6.348 825 HD23 LEU 9 HD23 LEU 9 -2.579 2.753 5.796 826 H THR 10 H THR 10 -3.692 5.411 9.425 827 HA THR 10 HA THR 10 -4.660 7.988 9.978 828 HB THR 10 HB THR 10 -4.750 5.336 11.369 829 HG1 THR 10 HG1 THR 10 -6.984 5.791 10.960 830 HG21 THR 10 HG21 THR 10 -6.281 6.265 13.099 831 HG22 THR 10 HG22 THR 10 -4.651 6.949 13.259 832 HG23 THR 10 HG23 THR 10 -5.949 7.902 12.500 833 H THR 11 H THR 11 -1.965 6.218 11.665 834 HA THR 11 HA THR 11 -1.489 8.330 13.551 835 HB THR 11 HB THR 11 0.491 6.274 12.548 836 HG1 THR 11 HG1 THR 11 -0.283 5.080 14.364 837 HG21 THR 11 HG21 THR 11 1.497 6.476 14.818 838 HG22 THR 11 HG22 THR 11 1.518 8.033 13.967 839 HG23 THR 11 HG23 THR 11 0.299 7.720 15.225 840 H MET 12 H MET 12 0.065 7.569 10.362 841 HA MET 12 HA MET 12 1.870 9.724 10.297 842 HB2 MET 12 HB1 MET 12 0.291 8.439 8.045 843 HB3 MET 12 HB2 MET 12 1.550 9.669 7.786 844 HG2 MET 12 HG1 MET 12 3.241 8.211 8.702 845 HG3 MET 12 HG2 MET 12 2.021 7.017 9.174 846 HE1 MET 12 HE1 MET 12 4.519 6.072 5.941 847 HE2 MET 12 HE2 MET 12 4.796 7.506 6.955 848 HE3 MET 12 HE3 MET 12 4.445 5.935 7.714 849 H VAL 13 H VAL 13 -1.562 9.693 9.064 850 HA VAL 13 HA VAL 13 -1.386 12.429 8.255 851 HB VAL 13 HB VAL 13 -3.766 12.438 7.865 852 HG11 VAL 13 HG11 VAL 13 -3.856 10.689 6.128 853 HG12 VAL 13 HG12 VAL 13 -2.280 11.509 6.160 854 HG13 VAL 13 HG13 VAL 13 -2.456 9.887 6.874 855 HG21 VAL 13 HG21 VAL 13 -5.208 10.474 8.225 856 HG22 VAL 13 HG22 VAL 13 -3.870 9.655 9.054 857 HG23 VAL 13 HG23 VAL 13 -4.583 11.128 9.753 858 H THR 14 H THR 14 -2.633 10.935 11.230 859 HA THR 14 HA THR 14 -3.710 13.182 12.532 860 HB THR 14 HB THR 14 -2.221 10.750 13.576 861 HG1 THR 14 HG1 THR 14 -4.403 10.151 13.995 862 HG21 THR 14 HG21 THR 14 -3.307 11.148 15.773 863 HG22 THR 14 HG22 THR 14 -2.200 12.470 15.355 864 HG23 THR 14 HG23 THR 14 -3.957 12.682 15.163 865 H THR 15 H THR 15 -0.345 12.372 11.902 866 HA THR 15 HA THR 15 0.627 14.258 13.951 867 HB THR 15 HB THR 15 2.217 12.267 12.306 868 HG1 THR 15 HG1 THR 15 2.014 11.040 14.252 869 HG21 THR 15 HG21 THR 15 3.848 12.508 14.166 870 HG22 THR 15 HG22 THR 15 3.555 14.072 13.372 871 HG23 THR 15 HG23 THR 15 2.786 13.710 14.936 872 H PHE 16 H PHE 16 1.244 13.567 10.447 873 HA PHE 16 HA PHE 16 2.734 15.837 9.775 874 HB2 PHE 16 HB1 PHE 16 2.324 13.865 8.381 875 HB3 PHE 16 HB2 PHE 16 0.621 14.322 8.211 876 HD1 PHE 16 HD2 PHE 16 0.062 16.436 6.809 877 HD2 PHE 16 HD1 PHE 16 3.951 14.608 6.848 878 HE1 PHE 16 HE2 PHE 16 0.501 17.310 4.529 879 HE2 PHE 16 HE1 PHE 16 4.368 15.432 4.551 880 HZ PHE 16 HZ PHE 16 2.634 16.774 3.355 881 H HIS 17 H HIS 17 -0.843 15.541 9.981 882 HA HIS 17 HA HIS 17 -1.500 18.156 9.145 883 HB2 HIS 17 HB1 HIS 17 -3.062 16.274 9.308 884 HB3 HIS 17 HB2 HIS 17 -2.913 16.287 11.074 885 HD1 HIS 17 HD1 HIS 17 -4.685 17.744 12.296 886 HD2 HIS 17 HD2 HIS 17 -4.173 18.693 8.238 887 HE1 HIS 17 HE1 HIS 17 -6.465 19.482 11.729 888 HE2 HIS 17 HE2 HIS 17 -6.168 20.081 9.259 889 H LYS 18 H LYS 18 -0.157 17.188 12.329 890 HA LYS 18 HA LYS 18 -0.965 19.592 13.681 891 HB2 LYS 18 HB1 LYS 18 1.513 17.923 14.218 892 HB3 LYS 18 HB2 LYS 18 0.684 19.022 15.347 893 HG2 LYS 18 HG1 LYS 18 -1.317 17.523 15.248 894 HG3 LYS 18 HG2 LYS 18 -0.373 16.393 14.249 895 HD2 LYS 18 HD1 LYS 18 1.349 16.412 16.162 896 HD3 LYS 18 HD2 LYS 18 0.083 17.195 17.137 897 HE2 LYS 18 HE1 LYS 18 0.151 14.396 16.001 898 HE3 LYS 18 HE2 LYS 18 -0.086 14.915 17.684 899 HZ1 LYS 18 HZ1 LYS 18 -2.120 14.149 16.694 900 HZ2 LYS 18 HZ2 LYS 18 -2.232 15.752 17.055 901 HZ3 LYS 18 HZ3 LYS 18 -2.012 15.271 15.493 902 H TYR 19 H TYR 19 1.394 19.020 11.231 903 HA TYR 19 HA TYR 19 2.953 21.462 11.886 904 HB2 TYR 19 HB1 TYR 19 3.616 18.971 10.277 905 HB3 TYR 19 HB2 TYR 19 4.697 20.361 10.481 906 HD1 TYR 19 HD1 TYR 19 5.666 20.876 12.722 907 HD2 TYR 19 HD2 TYR 19 3.306 17.353 12.045 908 HE1 TYR 19 HE1 TYR 19 6.632 19.841 14.764 909 HE2 TYR 19 HE2 TYR 19 4.173 16.346 14.142 910 HH TYR 19 HH TYR 19 5.557 16.586 15.912 911 H SER 20 H SER 20 1.472 19.696 9.070 912 HA SER 20 HA SER 20 1.650 21.964 7.296 913 HB2 SER 20 HB1 SER 20 -0.354 19.665 7.307 914 HB3 SER 20 HB2 SER 20 0.059 20.711 5.926 915 HG SER 20 HG SER 20 1.156 18.703 5.881 916 H GLY 21 H GLY 21 -0.689 20.958 9.793 917 HA2 GLY 21 HA2 GLY 21 -2.170 22.833 8.653 918 H ARG 22 H ARG 22 -0.366 23.794 10.017 919 HA ARG 22 HA ARG 22 -1.468 25.807 11.682 920 HB2 ARG 22 HB1 ARG 22 0.931 25.522 9.889 921 HB3 ARG 22 HB2 ARG 22 0.508 27.146 10.486 922 HG2 ARG 22 HG1 ARG 22 2.189 26.241 11.907 923 HG3 ARG 22 HG2 ARG 22 0.654 26.272 12.809 924 HD2 ARG 22 HD1 ARG 22 0.484 23.964 12.873 925 HD3 ARG 22 HD2 ARG 22 1.463 23.741 11.405 926 HE ARG 22 HE ARG 22 2.410 24.016 14.154 927 HH11 ARG 22 HH12 ARG 22 3.398 24.131 10.745 928 HH12 ARG 22 HH11 ARG 22 5.086 23.957 11.128 929 HH21 ARG 22 HH22 ARG 22 4.647 23.834 14.532 930 HH22 ARG 22 HH21 ARG 22 5.766 23.795 13.197 931 H GLU 23 H GLU 23 -2.014 25.252 8.306 932 HA GLU 23 HA GLU 23 -2.889 28.017 7.760 933 HB2 GLU 23 HB1 GLU 23 -0.366 26.726 6.847 934 HB3 GLU 23 HB2 GLU 23 -1.316 27.502 5.558 935 HG2 GLU 23 HG1 GLU 23 -0.548 28.904 8.141 936 HG3 GLU 23 HG2 GLU 23 0.445 28.958 6.668 937 H GLY 24 H GLY 24 -3.393 27.938 5.116 938 HA2 GLY 24 HA2 GLY 24 -4.456 25.526 4.855 939 H SER 25 H SER 25 -4.659 24.955 1.967 940 HA SER 25 HA SER 25 -3.893 23.047 1.053 941 HB2 SER 25 HB1 SER 25 -1.420 23.133 0.377 942 HB3 SER 25 HB2 SER 25 -2.543 24.366 -0.245 943 HG SER 25 HG SER 25 -0.536 25.247 0.428 944 H LYS 26 H LYS 26 -4.319 22.180 3.610 945 HA LYS 26 HA LYS 26 -1.937 21.819 5.132 946 HB2 LYS 26 HB1 LYS 26 -4.533 20.295 5.424 947 HB3 LYS 26 HB2 LYS 26 -3.279 20.527 6.665 948 HG2 LYS 26 HG1 LYS 26 -3.852 22.975 6.668 949 HG3 LYS 26 HG2 LYS 26 -5.224 22.593 5.601 950 HD2 LYS 26 HD1 LYS 26 -5.922 20.822 7.250 951 HD3 LYS 26 HD2 LYS 26 -4.640 21.400 8.341 952 HE2 LYS 26 HE1 LYS 26 -7.121 22.872 7.475 953 HE3 LYS 26 HE2 LYS 26 -6.754 22.214 9.085 954 HZ1 LYS 26 HZ1 LYS 26 -6.415 24.581 8.994 955 HZ2 LYS 26 HZ2 LYS 26 -4.986 23.810 9.263 956 HZ3 LYS 26 HZ3 LYS 26 -5.326 24.421 7.770 957 H LEU 27 H LEU 27 -2.451 20.131 2.402 958 HA LEU 27 HA LEU 27 -1.706 17.464 3.418 959 HB2 LEU 27 HB1 LEU 27 -2.701 18.206 0.662 960 HB3 LEU 27 HB2 LEU 27 -2.624 16.591 1.410 961 HG LEU 27 HG LEU 27 -4.500 18.871 2.116 962 HD11 LEU 27 HD11 LEU 27 -6.251 17.295 1.362 963 HD12 LEU 27 HD12 LEU 27 -5.058 17.601 0.080 964 HD13 LEU 27 HD13 LEU 27 -5.000 16.083 1.004 965 HD21 LEU 27 HD21 LEU 27 -5.599 17.384 3.760 966 HD22 LEU 27 HD22 LEU 27 -4.351 16.154 3.473 967 HD23 LEU 27 HD23 LEU 27 -3.913 17.716 4.206 968 H THR 28 H THR 28 -0.241 20.234 1.862 969 HA THR 28 HA THR 28 2.202 18.582 1.422 970 HB THR 28 HB THR 28 3.138 20.693 0.469 971 HG1 THR 28 HG1 THR 28 1.617 22.353 0.013 972 HG21 THR 28 HG21 THR 28 1.799 20.694 -1.622 973 HG22 THR 28 HG22 THR 28 2.075 19.040 -1.035 974 HG23 THR 28 HG23 THR 28 0.497 19.826 -0.780 975 H LEU 29 H LEU 29 4.329 19.706 2.288 976 HA LEU 29 HA LEU 29 4.000 22.087 3.813 977 HB2 LEU 29 HB1 LEU 29 4.618 21.615 5.950 978 HB3 LEU 29 HB2 LEU 29 3.544 20.255 5.544 979 HG LEU 29 HG LEU 29 6.575 20.173 5.690 980 HD11 LEU 29 HD11 LEU 29 6.151 18.760 7.687 981 HD12 LEU 29 HD12 LEU 29 5.428 20.375 7.879 982 HD13 LEU 29 HD13 LEU 29 4.399 18.983 7.471 983 HD21 LEU 29 HD21 LEU 29 6.352 17.726 5.429 984 HD22 LEU 29 HD22 LEU 29 4.601 17.916 5.193 985 HD23 LEU 29 HD23 LEU 29 5.739 18.589 4.001 986 H SER 30 H SER 30 6.198 22.791 4.878 987 HA SER 30 HA SER 30 8.098 22.890 2.719 988 HB2 SER 30 HB1 SER 30 9.377 24.353 4.304 989 HB3 SER 30 HB2 SER 30 7.697 24.864 4.005 990 HG SER 30 HG SER 30 8.265 24.938 6.231 991 H ARG 31 H ARG 31 10.166 22.288 2.570 992 HA ARG 31 HA ARG 31 10.867 19.682 3.403 993 HB2 ARG 31 HB1 ARG 31 11.390 20.950 1.290 994 HB3 ARG 31 HB2 ARG 31 12.623 21.844 2.212 995 HG2 ARG 31 HG1 ARG 31 13.903 19.810 2.553 996 HG3 ARG 31 HG2 ARG 31 12.632 18.839 1.769 997 HD2 ARG 31 HD1 ARG 31 12.980 20.480 -0.252 998 HD3 ARG 31 HD2 ARG 31 14.526 20.860 0.537 999 HE ARG 31 HE ARG 31 15.359 18.775 -0.067 1000 HH11 ARG 31 HH12 ARG 31 11.900 18.824 -0.706 1001 HH12 ARG 31 HH11 ARG 31 11.948 17.388 -1.698 1002 HH21 ARG 31 HH22 ARG 31 15.365 16.938 -1.415 1003 HH22 ARG 31 HH21 ARG 31 13.869 16.344 -2.091 1004 H LYS 32 H LYS 32 11.536 22.758 4.998 1005 HA LYS 32 HA LYS 32 13.551 21.692 6.776 1006 HB2 LYS 32 HB1 LYS 32 12.596 24.219 6.144 1007 HB3 LYS 32 HB2 LYS 32 11.979 23.955 7.793 1008 HG2 LYS 32 HG1 LYS 32 14.872 23.685 6.928 1009 HG3 LYS 32 HG2 LYS 32 14.166 25.107 7.734 1010 HD2 LYS 32 HD1 LYS 32 14.434 22.342 8.950 1011 HD3 LYS 32 HD2 LYS 32 15.515 23.723 9.255 1012 HE2 LYS 32 HE1 LYS 32 13.403 24.972 10.053 1013 HE3 LYS 32 HE2 LYS 32 12.616 23.378 10.073 1014 HZ1 LYS 32 HZ1 LYS 32 13.532 23.944 12.206 1015 HZ2 LYS 32 HZ2 LYS 32 14.311 22.630 11.587 1016 HZ3 LYS 32 HZ3 LYS 32 15.043 24.109 11.568 1017 H GLU 33 H GLU 33 9.963 22.084 7.014 1018 HA GLU 33 HA GLU 33 9.939 21.190 9.760 1019 HB2 GLU 33 HB1 GLU 33 8.334 22.800 8.799 1020 HB3 GLU 33 HB2 GLU 33 7.613 21.468 7.866 1021 HG2 GLU 33 HG1 GLU 33 6.166 21.686 9.638 1022 HG3 GLU 33 HG2 GLU 33 7.221 20.352 10.151 1023 H LEU 34 H LEU 34 9.765 19.366 6.654 1024 HA LEU 34 HA LEU 34 9.114 16.855 7.847 1025 HB2 LEU 34 HB1 LEU 34 9.112 16.810 5.544 1026 HB3 LEU 34 HB2 LEU 34 10.628 17.733 5.413 1027 HG LEU 34 HG LEU 34 11.909 15.771 6.062 1028 HD11 LEU 34 HD11 LEU 34 10.977 13.487 6.170 1029 HD12 LEU 34 HD12 LEU 34 10.338 14.523 7.460 1030 HD13 LEU 34 HD13 LEU 34 9.343 14.161 6.029 1031 HD21 LEU 34 HD21 LEU 34 11.582 14.446 3.993 1032 HD22 LEU 34 HD22 LEU 34 9.975 15.177 3.787 1033 HD23 LEU 34 HD23 LEU 34 11.436 16.190 3.681 1034 H LYS 35 H LYS 35 12.398 18.316 7.321 1035 HA LYS 35 HA LYS 35 13.910 16.394 8.707 1036 HB2 LYS 35 HB1 LYS 35 15.020 18.033 7.400 1037 HB3 LYS 35 HB2 LYS 35 14.220 19.377 8.254 1038 HG2 LYS 35 HG1 LYS 35 15.507 18.893 10.275 1039 HG3 LYS 35 HG2 LYS 35 16.264 17.491 9.482 1040 HD2 LYS 35 HD1 LYS 35 16.561 20.355 8.518 1041 HD3 LYS 35 HD2 LYS 35 17.716 19.538 9.599 1042 HE2 LYS 35 HE1 LYS 35 17.798 17.702 7.756 1043 HE3 LYS 35 HE2 LYS 35 17.063 18.934 6.707 1044 HZ1 LYS 35 HZ1 LYS 35 19.445 18.925 6.535 1045 HZ2 LYS 35 HZ2 LYS 35 18.927 20.353 7.175 1046 HZ3 LYS 35 HZ3 LYS 35 19.609 19.210 8.149 1047 H GLU 36 H GLU 36 12.029 19.094 9.935 1048 HA GLU 36 HA GLU 36 12.825 18.963 12.679 1049 HB2 GLU 36 HB1 GLU 36 11.579 20.762 11.120 1050 HB3 GLU 36 HB2 GLU 36 10.137 19.971 11.800 1051 HG2 GLU 36 HG1 GLU 36 10.531 21.672 13.326 1052 HG3 GLU 36 HG2 GLU 36 11.354 20.291 14.081 1053 H LEU 37 H LEU 37 9.966 17.730 10.888 1054 HA LEU 37 HA LEU 37 8.575 16.513 12.972 1055 HB2 LEU 37 HB1 LEU 37 8.563 16.459 10.064 1056 HB3 LEU 37 HB2 LEU 37 8.239 14.841 10.730 1057 HG LEU 37 HG LEU 37 6.809 17.227 11.874 1058 HD11 LEU 37 HD11 LEU 37 4.955 16.969 10.256 1059 HD12 LEU 37 HD12 LEU 37 6.457 17.467 9.449 1060 HD13 LEU 37 HD13 LEU 37 5.913 15.774 9.356 1061 HD21 LEU 37 HD21 LEU 37 5.047 15.537 12.295 1062 HD22 LEU 37 HD22 LEU 37 6.018 14.317 11.438 1063 HD23 LEU 37 HD23 LEU 37 6.614 15.020 12.961 1064 H ILE 38 H ILE 38 11.038 14.941 10.801 1065 HA ILE 38 HA ILE 38 10.923 12.492 12.222 1066 HB ILE 38 HB ILE 38 12.969 11.859 11.040 1067 HG12 ILE 38 HG13 ILE 38 12.998 14.727 10.064 1068 HG13 ILE 38 HG12 ILE 38 14.171 13.977 11.172 1069 HG21 ILE 38 HG21 ILE 38 12.033 12.027 8.763 1070 HG22 ILE 38 HG22 ILE 38 10.773 11.649 9.961 1071 HG23 ILE 38 HG23 ILE 38 10.919 13.302 9.314 1072 HD11 ILE 38 HD11 ILE 38 15.085 14.137 8.880 1073 HD12 ILE 38 HD12 ILE 38 14.882 12.446 9.384 1074 HD13 ILE 38 HD13 ILE 38 13.708 13.193 8.275 1075 H LYS 39 H LYS 39 12.584 15.422 13.246 1076 HA LYS 39 HA LYS 39 13.978 13.954 15.380 1077 HB2 LYS 39 HB1 LYS 39 13.726 16.731 14.346 1078 HB3 LYS 39 HB2 LYS 39 14.018 16.574 16.094 1079 HG2 LYS 39 HG1 LYS 39 16.061 16.950 14.827 1080 HG3 LYS 39 HG2 LYS 39 16.067 15.402 15.705 1081 HD2 LYS 39 HD1 LYS 39 15.469 15.573 12.758 1082 HD3 LYS 39 HD2 LYS 39 17.132 15.494 13.389 1083 HE2 LYS 39 HE1 LYS 39 14.958 13.397 13.668 1084 HE3 LYS 39 HE2 LYS 39 16.438 13.293 12.691 1085 HZ1 LYS 39 HZ1 LYS 39 16.634 12.077 14.733 1086 HZ2 LYS 39 HZ2 LYS 39 17.700 13.332 14.714 1087 HZ3 LYS 39 HZ3 LYS 39 16.326 13.429 15.622 1088 H LYS 40 H LYS 40 10.952 15.838 15.026 1089 HA LYS 40 HA LYS 40 10.405 15.979 17.862 1090 HB2 LYS 40 HB1 LYS 40 8.915 16.662 15.328 1091 HB3 LYS 40 HB2 LYS 40 8.179 16.840 16.938 1092 HG2 LYS 40 HG1 LYS 40 9.935 18.428 17.613 1093 HG3 LYS 40 HG2 LYS 40 10.796 18.176 16.075 1094 HD2 LYS 40 HD1 LYS 40 8.809 18.921 14.833 1095 HD3 LYS 40 HD2 LYS 40 7.934 19.156 16.364 1096 HE2 LYS 40 HE1 LYS 40 9.196 21.055 16.932 1097 HE3 LYS 40 HE2 LYS 40 10.470 20.673 15.753 1098 HZ1 LYS 40 HZ1 LYS 40 9.069 22.471 14.998 1099 HZ2 LYS 40 HZ2 LYS 40 8.907 21.171 13.999 1100 HZ3 LYS 40 HZ3 LYS 40 7.723 21.525 15.092 1101 H GLU 41 H GLU 41 9.262 13.889 15.202 1102 HA GLU 41 HA GLU 41 7.368 12.503 16.978 1103 HB2 GLU 41 HB1 GLU 41 6.504 11.457 14.930 1104 HB3 GLU 41 HB2 GLU 41 6.519 13.233 14.811 1105 HG2 GLU 41 HG1 GLU 41 7.677 13.106 12.921 1106 HG3 GLU 41 HG2 GLU 41 8.996 12.281 13.777 1107 H LEU 42 H LEU 42 10.604 11.943 15.864 1108 HA LEU 42 HA LEU 42 10.350 9.054 16.482 1109 HB2 LEU 42 HB1 LEU 42 10.343 9.759 13.950 1110 HB3 LEU 42 HB2 LEU 42 12.090 9.989 14.208 1111 HG LEU 42 HG LEU 42 10.859 7.434 15.152 1112 HD11 LEU 42 HD11 LEU 42 11.061 6.391 12.911 1113 HD12 LEU 42 HD12 LEU 42 9.864 7.704 12.909 1114 HD13 LEU 42 HD13 LEU 42 11.483 7.973 12.219 1115 HD21 LEU 42 HD21 LEU 42 13.024 6.474 14.413 1116 HD22 LEU 42 HD22 LEU 42 13.489 8.054 13.746 1117 HD23 LEU 42 HD23 LEU 42 13.265 7.857 15.501 1118 H CYS 43 H CYS 43 11.721 8.396 17.923 1119 HA CYS 43 HA CYS 43 14.504 9.252 17.999 1120 HB2 CYS 43 HB1 CYS 43 14.487 9.985 20.313 1121 HB3 CYS 43 HB2 CYS 43 13.348 10.971 19.363 1122 HG CYS 43 HG CYS 43 12.373 10.544 21.756 1123 H LEU 44 H LEU 44 15.811 7.837 19.372 1124 HA LEU 44 HA LEU 44 14.685 5.105 19.708 1125 HB2 LEU 44 HB1 LEU 44 16.931 5.959 17.833 1126 HB3 LEU 44 HB2 LEU 44 16.609 4.267 18.283 1127 HG LEU 44 HG LEU 44 14.566 6.034 16.901 1128 HD11 LEU 44 HD11 LEU 44 15.264 4.901 14.809 1129 HD12 LEU 44 HD12 LEU 44 16.609 5.832 15.514 1130 HD13 LEU 44 HD13 LEU 44 16.560 4.062 15.696 1131 HD21 LEU 44 HD21 LEU 44 13.529 3.870 16.298 1132 HD22 LEU 44 HD22 LEU 44 14.807 3.012 17.188 1133 HD23 LEU 44 HD23 LEU 44 13.658 4.053 18.063 1134 H GLY 45 H GLY 45 16.129 7.355 21.342 1135 HA2 GLY 45 HA2 GLY 45 17.496 7.800 22.391 1136 H GLU 46 H GLU 46 18.898 6.001 20.190 1137 HA GLU 46 HA GLU 46 21.284 7.756 20.309 1138 HB2 GLU 46 HB1 GLU 46 22.444 5.950 19.366 1139 HB3 GLU 46 HB2 GLU 46 21.336 5.219 20.552 1140 HG2 GLU 46 HG1 GLU 46 19.798 4.670 18.649 1141 HG3 GLU 46 HG2 GLU 46 21.069 5.225 17.538 1142 H MET 47 H MET 47 18.825 6.550 17.949 1143 HA MET 47 HA MET 47 18.755 6.589 15.730 1144 HB2 MET 47 HB1 MET 47 19.722 9.439 15.997 1145 HB3 MET 47 HB2 MET 47 19.123 8.702 14.492 1146 HG2 MET 47 HG1 MET 47 17.119 8.035 16.229 1147 HG3 MET 47 HG2 MET 47 17.644 9.581 16.914 1148 HE1 MET 47 HE1 MET 47 15.696 8.831 12.800 1149 HE2 MET 47 HE2 MET 47 17.224 8.049 13.273 1150 HE3 MET 47 HE3 MET 47 15.732 7.711 14.184 1151 H LYS 48 H LYS 48 19.811 5.791 14.052 1152 HA LYS 48 HA LYS 48 22.619 5.247 14.230 1153 HB2 LYS 48 HB1 LYS 48 20.295 4.395 12.786 1154 HB3 LYS 48 HB2 LYS 48 21.548 4.810 11.592 1155 HG2 LYS 48 HG1 LYS 48 21.811 2.504 12.126 1156 HG3 LYS 48 HG2 LYS 48 23.150 3.392 12.890 1157 HD2 LYS 48 HD1 LYS 48 22.329 1.628 14.354 1158 HD3 LYS 48 HD2 LYS 48 22.025 3.231 15.065 1159 HE2 LYS 48 HE1 LYS 48 19.696 3.110 14.605 1160 HE3 LYS 48 HE2 LYS 48 19.903 1.744 13.488 1161 HZ1 LYS 48 HZ1 LYS 48 19.059 1.039 15.608 1162 HZ2 LYS 48 HZ2 LYS 48 20.559 0.400 15.356 1163 HZ3 LYS 48 HZ3 LYS 48 20.366 1.667 16.393 1164 H GLU 49 H GLU 49 24.334 5.945 13.040 1165 HA GLU 49 HA GLU 49 24.304 8.425 11.508 1166 HB2 GLU 49 HB1 GLU 49 26.438 6.266 11.782 1167 HB3 GLU 49 HB2 GLU 49 26.679 7.930 11.197 1168 HG2 GLU 49 HG1 GLU 49 26.133 8.781 13.457 1169 HG3 GLU 49 HG2 GLU 49 25.958 7.108 14.030 1170 H SER 50 H SER 50 25.487 8.319 9.285 1171 HA SER 50 HA SER 50 26.286 7.482 7.396 1172 HB2 SER 50 HB1 SER 50 25.426 4.765 8.397 1173 HB3 SER 50 HB2 SER 50 26.375 5.061 6.920 1174 HG SER 50 HG SER 50 27.691 4.584 8.742 1175 H SER 51 H SER 51 25.571 7.754 5.418 1176 HA SER 51 HA SER 51 24.291 7.863 3.566 1177 HB2 SER 51 HB1 SER 51 22.418 5.808 4.773 1178 HB3 SER 51 HB2 SER 51 22.571 6.261 3.059 1179 HG SER 51 HG SER 51 23.679 4.309 3.566 1180 H ILE 52 H ILE 52 22.338 7.804 6.540 1181 HA ILE 52 HA ILE 52 20.199 9.458 5.763 1182 HB ILE 52 HB ILE 52 19.859 9.795 8.156 1183 HG12 ILE 52 HG13 ILE 52 21.503 8.328 9.651 1184 HG13 ILE 52 HG12 ILE 52 22.685 8.844 8.423 1185 HG21 ILE 52 HG21 ILE 52 19.626 7.392 8.758 1186 HG22 ILE 52 HG22 ILE 52 19.170 7.680 7.064 1187 HG23 ILE 52 HG23 ILE 52 20.751 6.960 7.451 1188 HD11 ILE 52 HD11 ILE 52 22.707 10.370 10.376 1189 HD12 ILE 52 HD12 ILE 52 22.159 11.207 8.908 1190 HD13 ILE 52 HD13 ILE 52 20.977 10.691 10.136 1191 H ASP 53 H ASP 53 23.490 10.312 6.343 1192 HA ASP 53 HA ASP 53 23.189 13.088 6.977 1193 HB2 ASP 53 HB1 ASP 53 25.167 11.633 7.450 1194 HB3 ASP 53 HB2 ASP 53 25.513 11.595 5.708 1195 H ASP 54 H ASP 54 23.726 11.364 3.810 1196 HA ASP 54 HA ASP 54 23.528 13.724 2.222 1197 HB2 ASP 54 HB1 ASP 54 24.234 11.532 1.258 1198 HB3 ASP 54 HB2 ASP 54 22.567 10.943 1.439 1199 H LEU 55 H LEU 55 21.001 11.416 3.432 1200 HA LEU 55 HA LEU 55 18.827 12.599 2.077 1201 HB2 LEU 55 HB1 LEU 55 18.843 11.174 4.750 1202 HB3 LEU 55 HB2 LEU 55 17.408 11.494 3.746 1203 HG LEU 55 HG LEU 55 19.751 9.712 3.008 1204 HD11 LEU 55 HD11 LEU 55 18.103 7.878 3.268 1205 HD12 LEU 55 HD12 LEU 55 18.304 8.784 4.787 1206 HD13 LEU 55 HD13 LEU 55 16.870 9.060 3.769 1207 HD21 LEU 55 HD21 LEU 55 18.382 9.035 1.060 1208 HD22 LEU 55 HD22 LEU 55 17.143 10.224 1.523 1209 HD23 LEU 55 HD23 LEU 55 18.759 10.771 1.014 1210 H MET 56 H MET 56 20.059 13.284 5.401 1211 HA MET 56 HA MET 56 18.312 15.428 5.974 1212 HB2 MET 56 HB1 MET 56 21.052 14.619 6.957 1213 HB3 MET 56 HB2 MET 56 20.256 16.094 7.553 1214 HG2 MET 56 HG1 MET 56 18.959 13.352 7.569 1215 HG3 MET 56 HG2 MET 56 19.864 14.011 8.941 1216 HE1 MET 56 HE1 MET 56 16.900 14.831 10.841 1217 HE2 MET 56 HE2 MET 56 17.681 13.343 10.242 1218 HE3 MET 56 HE3 MET 56 18.680 14.700 10.818 1219 H LYS 57 H LYS 57 21.531 15.519 4.306 1220 HA LYS 57 HA LYS 57 21.338 18.406 4.029 1221 HB2 LYS 57 HB1 LYS 57 23.438 16.779 4.221 1222 HB3 LYS 57 HB2 LYS 57 23.343 16.899 2.447 1223 HG2 LYS 57 HG1 LYS 57 23.284 19.369 4.177 1224 HG3 LYS 57 HG2 LYS 57 24.825 18.580 3.770 1225 HD2 LYS 57 HD1 LYS 57 24.897 19.828 1.954 1226 HD3 LYS 57 HD2 LYS 57 23.533 18.873 1.325 1227 HE2 LYS 57 HE1 LYS 57 23.211 21.292 1.050 1228 HE3 LYS 57 HE2 LYS 57 21.955 20.542 2.058 1229 HZ1 LYS 57 HZ1 LYS 57 22.647 22.658 2.929 1230 HZ2 LYS 57 HZ2 LYS 57 23.041 21.452 3.977 1231 HZ3 LYS 57 HZ3 LYS 57 24.207 22.148 3.042 1232 H SER 58 H SER 58 20.169 15.779 2.182 1233 HA SER 58 HA SER 58 19.608 17.252 -0.237 1234 HB2 SER 58 HB1 SER 58 18.982 14.483 0.759 1235 HB3 SER 58 HB2 SER 58 18.184 15.138 -0.691 1236 HG SER 58 HG SER 58 20.177 14.070 -1.181 1237 H LEU 59 H LEU 59 17.860 16.745 2.830 1238 HA LEU 59 HA LEU 59 15.619 18.359 1.930 1239 HB2 LEU 59 HB1 LEU 59 16.671 17.826 4.724 1240 HB3 LEU 59 HB2 LEU 59 15.107 18.572 4.318 1241 HG LEU 59 HG LEU 59 15.979 15.726 3.742 1242 HD11 LEU 59 HD11 LEU 59 14.191 15.143 5.344 1243 HD12 LEU 59 HD12 LEU 59 15.415 16.196 6.091 1244 HD13 LEU 59 HD13 LEU 59 13.847 16.872 5.588 1245 HD21 LEU 59 HD21 LEU 59 13.703 15.320 2.885 1246 HD22 LEU 59 HD22 LEU 59 13.329 17.046 3.075 1247 HD23 LEU 59 HD23 LEU 59 14.564 16.526 1.904 1248 H ASP 60 H ASP 60 18.581 18.999 3.775 1249 HA ASP 60 HA ASP 60 18.451 21.828 3.974 1250 HB2 ASP 60 HB1 ASP 60 19.942 19.740 4.921 1251 HB3 ASP 60 HB2 ASP 60 21.080 20.468 3.765 1252 H LYS 61 H LYS 61 18.613 20.169 1.113 1253 HA LYS 61 HA LYS 61 20.675 21.592 -0.343 1254 HB2 LYS 61 HB1 LYS 61 19.503 19.230 -0.640 1255 HB3 LYS 61 HB2 LYS 61 18.332 20.172 -1.593 1256 HG2 LYS 61 HG1 LYS 61 19.796 19.267 -3.164 1257 HG3 LYS 61 HG2 LYS 61 20.316 20.959 -2.977 1258 HD2 LYS 61 HD1 LYS 61 22.238 19.499 -3.167 1259 HD3 LYS 61 HD2 LYS 61 22.172 20.238 -1.547 1260 HE2 LYS 61 HE1 LYS 61 22.917 17.964 -1.337 1261 HE3 LYS 61 HE2 LYS 61 21.283 18.098 -0.648 1262 HZ1 LYS 61 HZ1 LYS 61 21.542 16.105 -1.944 1263 HZ2 LYS 61 HZ2 LYS 61 20.432 17.097 -2.644 1264 HZ3 LYS 61 HZ3 LYS 61 21.948 16.974 -3.281 1265 H ASN 62 H ASN 62 17.201 21.920 0.162 1266 HA ASN 62 HA ASN 62 17.122 24.497 -1.335 1267 HB2 ASN 62 HB1 ASN 62 14.939 22.378 -1.202 1268 HB3 ASN 62 HB2 ASN 62 14.819 23.955 -2.010 1269 HD21 ASN 62 HD21 ASN 62 14.130 22.578 -3.870 1270 HD22 ASN 62 HD22 ASN 62 15.364 21.844 -4.882 1271 H SER 63 H SER 63 15.482 22.440 1.066 1272 HA SER 63 HA SER 63 14.778 22.627 3.120 1273 HB2 SER 63 HB1 SER 63 15.808 24.099 4.682 1274 HB3 SER 63 HB2 SER 63 17.013 23.523 3.504 1275 HG SER 63 HG SER 63 17.210 25.761 3.958 1276 H ASP 64 H ASP 64 14.311 25.871 1.664 1277 HA ASP 64 HA ASP 64 12.019 26.601 3.203 1278 HB2 ASP 64 HB1 ASP 64 13.280 28.259 2.038 1279 HB3 ASP 64 HB2 ASP 64 13.194 27.361 0.508 1280 H GLN 65 H GLN 65 12.362 25.190 -0.025 1281 HA GLN 65 HA GLN 65 9.952 25.322 -1.193 1282 HB2 GLN 65 HB1 GLN 65 12.210 24.158 -1.831 1283 HB3 GLN 65 HB2 GLN 65 11.482 22.703 -1.108 1284 HG2 GLN 65 HG1 GLN 65 9.502 23.236 -2.776 1285 HG3 GLN 65 HG2 GLN 65 10.756 24.146 -3.646 1286 HE21 GLN 65 HE12 GLN 65 9.504 20.970 -2.969 1287 HE22 GLN 65 HE22 GLN 65 10.792 20.054 -3.714 1288 H GLU 66 H GLU 66 7.949 24.260 -1.236 1289 HA GLU 66 HA GLU 66 7.433 22.335 0.861 1290 HB2 GLU 66 HB1 GLU 66 5.710 23.424 -1.361 1291 HB3 GLU 66 HB2 GLU 66 5.165 22.139 -0.257 1292 HG2 GLU 66 HG1 GLU 66 5.869 23.774 1.643 1293 HG3 GLU 66 HG2 GLU 66 5.851 25.019 0.376 1294 H ILE 67 H ILE 67 6.806 20.318 0.764 1295 HA ILE 67 HA ILE 67 7.075 18.752 -1.736 1296 HB ILE 67 HB ILE 67 7.574 16.817 -0.230 1297 HG12 ILE 67 HG13 ILE 67 8.095 18.866 1.940 1298 HG13 ILE 67 HG12 ILE 67 6.624 17.866 1.860 1299 HG21 ILE 67 HG21 ILE 67 9.943 17.424 0.109 1300 HG22 ILE 67 HG22 ILE 67 9.336 18.006 -1.459 1301 HG23 ILE 67 HG23 ILE 67 9.530 19.140 -0.101 1302 HD11 ILE 67 HD11 ILE 67 8.281 16.892 3.414 1303 HD12 ILE 67 HD12 ILE 67 8.000 15.828 2.020 1304 HD13 ILE 67 HD13 ILE 67 9.471 16.827 2.097 1305 H ASP 68 H ASP 68 5.569 17.172 -2.131 1306 HA ASP 68 HA ASP 68 3.003 16.916 -0.865 1307 HB2 ASP 68 HB1 ASP 68 3.727 16.313 -3.191 1308 HB3 ASP 68 HB2 ASP 68 4.711 15.002 -2.502 1309 H PHE 69 H PHE 69 2.299 15.401 0.629 1310 HA PHE 69 HA PHE 69 3.447 14.097 2.655 1311 HB2 PHE 69 HB1 PHE 69 1.146 13.778 0.922 1312 HB3 PHE 69 HB2 PHE 69 1.733 12.180 1.412 1313 HD1 PHE 69 HD2 PHE 69 2.280 12.040 4.077 1314 HD2 PHE 69 HD1 PHE 69 -0.529 14.701 2.191 1315 HE1 PHE 69 HE2 PHE 69 0.968 12.155 6.185 1316 HE2 PHE 69 HE1 PHE 69 -1.833 14.828 4.301 1317 HZ PHE 69 HZ PHE 69 -1.089 13.545 6.298 1318 H LYS 70 H LYS 70 4.208 13.202 -0.662 1319 HA LYS 70 HA LYS 70 4.996 10.467 -0.169 1320 HB2 LYS 70 HB1 LYS 70 5.175 12.429 -2.470 1321 HB3 LYS 70 HB2 LYS 70 5.883 10.799 -2.563 1322 HG2 LYS 70 HG1 LYS 70 3.788 9.743 -2.427 1323 HG3 LYS 70 HG2 LYS 70 3.004 11.175 -1.718 1324 HD2 LYS 70 HD1 LYS 70 3.659 12.296 -4.042 1325 HD3 LYS 70 HD2 LYS 70 3.695 10.606 -4.602 1326 HE2 LYS 70 HE1 LYS 70 1.437 10.255 -4.114 1327 HE3 LYS 70 HE2 LYS 70 1.394 11.548 -2.896 1328 HZ1 LYS 70 HZ1 LYS 70 0.221 12.158 -4.882 1329 HZ2 LYS 70 HZ2 LYS 70 1.530 13.138 -4.674 1330 HZ3 LYS 70 HZ3 LYS 70 1.570 11.938 -5.804 1331 H GLU 71 H GLU 71 6.913 13.521 -0.905 1332 HA GLU 71 HA GLU 71 9.398 12.147 -0.577 1333 HB2 GLU 71 HB1 GLU 71 8.816 15.090 -0.164 1334 HB3 GLU 71 HB2 GLU 71 10.435 14.358 -0.250 1335 HG2 GLU 71 HG1 GLU 71 9.216 13.489 -2.595 1336 HG3 GLU 71 HG2 GLU 71 8.609 15.149 -2.407 1337 H TYR 72 H TYR 72 7.101 13.449 1.706 1338 HA TYR 72 HA TYR 72 8.760 13.270 4.051 1339 HB2 TYR 72 HB1 TYR 72 6.854 14.718 3.966 1340 HB3 TYR 72 HB2 TYR 72 5.781 13.387 3.502 1341 HD1 TYR 72 HD1 TYR 72 4.943 11.787 5.187 1342 HD2 TYR 72 HD2 TYR 72 7.557 15.051 6.228 1343 HE1 TYR 72 HE1 TYR 72 4.464 11.396 7.600 1344 HE2 TYR 72 HE2 TYR 72 7.177 14.589 8.632 1345 HH TYR 72 HH TYR 72 5.973 13.445 10.164 1346 H SER 73 H SER 73 6.261 11.041 2.680 1347 HA SER 73 HA SER 73 6.590 9.106 4.771 1348 HB2 SER 73 HB1 SER 73 5.125 7.700 3.425 1349 HB3 SER 73 HB2 SER 73 4.506 9.367 3.525 1350 HG SER 73 HG SER 73 4.415 8.508 1.407 1351 H VAL 74 H VAL 74 7.952 9.239 1.408 1352 HA VAL 74 HA VAL 74 9.221 6.703 1.586 1353 HB VAL 74 HB VAL 74 10.705 7.335 -0.176 1354 HG11 VAL 74 HG11 VAL 74 9.067 7.843 -1.932 1355 HG12 VAL 74 HG12 VAL 74 8.437 6.675 -0.750 1356 HG13 VAL 74 HG13 VAL 74 7.911 8.375 -0.691 1357 HG21 VAL 74 HG21 VAL 74 10.785 9.558 -1.221 1358 HG22 VAL 74 HG22 VAL 74 9.708 10.182 0.045 1359 HG23 VAL 74 HG23 VAL 74 11.334 9.593 0.467 1360 H PHE 75 H PHE 75 10.166 9.842 2.934 1361 HA PHE 75 HA PHE 75 12.915 9.108 3.457 1362 HB2 PHE 75 HB1 PHE 75 11.812 11.433 3.236 1363 HB3 PHE 75 HB2 PHE 75 11.255 11.189 4.900 1364 HD1 PHE 75 HD1 PHE 75 13.262 10.477 6.614 1365 HD2 PHE 75 HD2 PHE 75 13.713 12.630 2.913 1366 HE1 PHE 75 HE1 PHE 75 15.461 11.338 7.381 1367 HE2 PHE 75 HE2 PHE 75 15.870 13.552 3.716 1368 HZ PHE 75 HZ PHE 75 16.739 12.928 5.960 1369 H LEU 76 H LEU 76 9.928 9.249 5.548 1370 HA LEU 76 HA LEU 76 11.085 8.088 7.856 1371 HB2 LEU 76 HB1 LEU 76 8.310 8.206 6.676 1372 HB3 LEU 76 HB2 LEU 76 8.619 7.256 8.150 1373 HG LEU 76 HG LEU 76 9.347 10.193 7.906 1374 HD11 LEU 76 HD11 LEU 76 7.236 10.654 9.111 1375 HD12 LEU 76 HD12 LEU 76 6.920 9.905 7.528 1376 HD13 LEU 76 HD13 LEU 76 6.802 8.931 9.014 1377 HD21 LEU 76 HD21 LEU 76 9.332 10.080 10.382 1378 HD22 LEU 76 HD22 LEU 76 8.908 8.354 10.301 1379 HD23 LEU 76 HD23 LEU 76 10.486 8.913 9.694 1380 H THR 77 H THR 77 9.529 6.540 5.038 1381 HA THR 77 HA THR 77 9.671 3.816 5.745 1382 HB THR 77 HB THR 77 9.844 5.322 3.120 1383 HG1 THR 77 HG1 THR 77 7.633 4.723 3.149 1384 HG21 THR 77 HG21 THR 77 9.094 3.297 1.933 1385 HG22 THR 77 HG22 THR 77 10.698 3.076 2.660 1386 HG23 THR 77 HG23 THR 77 9.261 2.366 3.435 1387 H MET 78 H MET 78 11.948 5.761 3.838 1388 HA MET 78 HA MET 78 13.998 3.825 3.558 1389 HB2 MET 78 HB1 MET 78 13.622 5.758 2.107 1390 HB3 MET 78 HB2 MET 78 13.989 6.862 3.454 1391 HG2 MET 78 HG1 MET 78 16.251 6.392 3.401 1392 HG3 MET 78 HG2 MET 78 16.021 4.844 2.571 1393 HE1 MET 78 HE1 MET 78 15.162 8.780 0.242 1394 HE2 MET 78 HE2 MET 78 13.996 7.905 1.259 1395 HE3 MET 78 HE3 MET 78 15.363 8.766 2.007 1396 H LEU 79 H LEU 79 13.474 6.327 6.092 1397 HA LEU 79 HA LEU 79 16.052 5.946 7.305 1398 HB2 LEU 79 HB1 LEU 79 14.641 8.001 7.467 1399 HB3 LEU 79 HB2 LEU 79 13.525 7.095 8.519 1400 HG LEU 79 HG LEU 79 15.221 6.876 10.227 1401 HD11 LEU 79 HD11 LEU 79 17.458 7.918 10.027 1402 HD12 LEU 79 HD12 LEU 79 17.226 6.644 8.809 1403 HD13 LEU 79 HD13 LEU 79 17.098 8.358 8.342 1404 HD21 LEU 79 HD21 LEU 79 15.488 9.274 10.797 1405 HD22 LEU 79 HD22 LEU 79 15.095 9.717 9.118 1406 HD23 LEU 79 HD23 LEU 79 13.864 8.944 10.146 1407 H CYS 80 H CYS 80 12.798 4.509 7.945 1408 HA CYS 80 HA CYS 80 13.607 2.920 10.178 1409 HB2 CYS 80 HB1 CYS 80 11.280 3.333 9.474 1410 HB3 CYS 80 HB2 CYS 80 11.563 2.414 7.975 1411 HG CYS 80 HG CYS 80 10.113 0.993 9.629 1412 H MET 81 H MET 81 13.639 2.250 6.664 1413 HA MET 81 HA MET 81 14.644 -0.407 6.848 1414 HB2 MET 81 HB1 MET 81 13.358 1.021 4.988 1415 HB3 MET 81 HB2 MET 81 15.016 1.241 4.379 1416 HG2 MET 81 HG1 MET 81 15.239 -1.328 4.651 1417 HG3 MET 81 HG2 MET 81 13.472 -1.336 4.776 1418 HE1 MET 81 HE1 MET 81 16.128 -0.445 1.208 1419 HE2 MET 81 HE2 MET 81 16.290 0.423 2.759 1420 HE3 MET 81 HE3 MET 81 16.529 -1.340 2.700 1421 H ALA 82 H ALA 82 16.298 2.688 6.726 1422 HA ALA 82 HA ALA 82 18.770 2.174 5.663 1423 HB1 ALA 82 HB1 ALA 82 19.560 4.007 7.128 1424 HB2 ALA 82 HB2 ALA 82 17.955 4.369 6.452 1425 HB3 ALA 82 HB3 ALA 82 18.107 3.826 8.140 1426 H TYR 83 H TYR 83 17.737 1.428 8.981 1427 HA TYR 83 HA TYR 83 20.315 0.056 9.495 1428 HB2 TYR 83 HB1 TYR 83 19.839 0.546 11.879 1429 HB3 TYR 83 HB2 TYR 83 20.060 1.979 10.862 1430 HD1 TYR 83 HD2 TYR 83 17.408 -0.167 12.415 1431 HD2 TYR 83 HD1 TYR 83 18.499 3.742 10.975 1432 HE1 TYR 83 HE2 TYR 83 15.206 0.711 13.151 1433 HE2 TYR 83 HE1 TYR 83 16.308 4.636 11.733 1434 HH TYR 83 HH TYR 83 13.821 2.520 13.249 1435 H ASN 84 H ASN 84 17.556 -0.955 8.358 1436 HA ASN 84 HA ASN 84 17.293 -3.314 10.134 1437 HB2 ASN 84 HB1 ASN 84 15.652 -2.304 7.785 1438 HB3 ASN 84 HB2 ASN 84 15.356 -3.847 8.617 1439 HD21 ASN 84 HD21 ASN 84 13.414 -1.815 8.415 1440 HD22 ASN 84 HD22 ASN 84 13.083 -1.222 10.032 1441 H ASP 85 H ASP 85 18.052 -5.293 9.552 1442 HA ASP 85 HA ASP 85 19.271 -5.666 6.868 1443 HB2 ASP 85 HB1 ASP 85 20.748 -5.889 9.531 1444 HB3 ASP 85 HB2 ASP 85 21.408 -6.368 7.953 1445 H PHE 86 H PHE 86 18.148 -7.063 9.982 1446 HA PHE 86 HA PHE 86 18.998 -9.739 9.479 1447 HB2 PHE 86 HB1 PHE 86 16.644 -8.906 11.192 1448 HB3 PHE 86 HB2 PHE 86 17.724 -10.291 11.414 1449 HD1 PHE 86 HD1 PHE 86 20.316 -9.607 11.710 1450 HD2 PHE 86 HD2 PHE 86 16.949 -7.057 12.567 1451 HE1 PHE 86 HE1 PHE 86 21.764 -8.171 13.132 1452 HE2 PHE 86 HE2 PHE 86 18.403 -5.618 13.984 1453 HZ PHE 86 HZ PHE 86 20.809 -6.173 14.262 1454 H PHE 87 H PHE 87 16.109 -8.006 8.420 1455 HA PHE 87 HA PHE 87 14.728 -10.373 7.523 1456 HB2 PHE 87 HB1 PHE 87 13.059 -8.992 6.752 1457 HB3 PHE 87 HB2 PHE 87 13.710 -8.149 8.168 1458 HD1 PHE 87 HD1 PHE 87 15.647 -6.313 7.508 1459 HD2 PHE 87 HD2 PHE 87 12.468 -7.714 4.959 1460 HE1 PHE 87 HE1 PHE 87 15.802 -4.236 6.158 1461 HE2 PHE 87 HE2 PHE 87 12.634 -5.638 3.605 1462 HZ PHE 87 HZ PHE 87 14.305 -3.897 4.201 1463 H LEU 88 H LEU 88 17.459 -8.841 6.317 1464 HA LEU 88 HA LEU 88 17.266 -10.158 3.655 1465 HB2 LEU 88 HB1 LEU 88 18.557 -7.710 4.822 1466 HB3 LEU 88 HB2 LEU 88 19.471 -8.581 3.566 1467 HG LEU 88 HG LEU 88 18.149 -6.701 2.718 1468 HD11 LEU 88 HD11 LEU 88 17.210 -7.896 0.771 1469 HD12 LEU 88 HD12 LEU 88 18.781 -8.566 1.264 1470 HD13 LEU 88 HD13 LEU 88 17.276 -9.419 1.683 1471 HD21 LEU 88 HD21 LEU 88 15.706 -6.826 2.479 1472 HD22 LEU 88 HD22 LEU 88 15.697 -8.313 3.450 1473 HD23 LEU 88 HD23 LEU 88 16.207 -6.771 4.181 1474 H GLU 89 H GLU 89 19.538 -10.893 2.921 1475 HA GLU 89 HA GLU 89 21.206 -12.029 5.107 1476 HB2 GLU 89 HB1 GLU 89 20.787 -12.613 2.195 1477 HB3 GLU 89 HB2 GLU 89 22.403 -12.911 2.879 1478 HG2 GLU 89 HG1 GLU 89 21.003 -14.937 2.861 1479 HG3 GLU 89 HG2 GLU 89 21.481 -14.456 4.504 1480 H ASP 90 H ASP 90 21.459 -10.066 2.076 1481 HA ASP 90 HA ASP 90 23.664 -8.493 3.195 1482 HB2 ASP 90 HB1 ASP 90 25.191 -9.057 1.371 1483 HB3 ASP 90 HB2 ASP 90 24.754 -10.496 2.319 1484 H ASN 91 H ASN 91 21.682 -9.114 0.245 1485 HA ASN 91 HA ASN 91 22.228 -6.495 -0.881 1486 HB2 ASN 91 HB1 ASN 91 20.555 -8.876 -1.700 1487 HB3 ASN 91 HB2 ASN 91 20.483 -7.338 -2.588 1488 HD21 ASN 91 HD21 ASN 91 22.603 -10.062 -1.701 1489 HD22 ASN 91 HD22 ASN 91 23.785 -9.779 -2.972 1490 H LYS 92 H LYS 92 21.356 -5.471 1.238 1491 HA LYS 92 HA LYS 92 18.476 -5.039 1.296 1492 HB2 LYS 92 HB1 LYS 92 18.955 -3.594 3.200 1493 HB3 LYS 92 HB2 LYS 92 19.720 -5.194 3.362 1494 HG2 LYS 92 HG1 LYS 92 21.892 -4.233 2.680 1495 HG3 LYS 92 HG2 LYS 92 21.132 -2.634 2.490 1496 HD2 LYS 92 HD1 LYS 92 20.769 -4.147 5.069 1497 HD3 LYS 92 HD2 LYS 92 22.305 -3.299 4.773 1498 HE2 LYS 92 HE1 LYS 92 21.186 -1.178 4.560 1499 HE3 LYS 92 HE2 LYS 92 19.587 -1.954 4.535 1500 HZ1 LYS 92 HZ1 LYS 92 20.091 -1.026 6.674 1501 HZ2 LYS 92 HZ2 LYS 92 19.969 -2.666 6.785 1502 HZ3 LYS 92 HZ3 LYS 92 21.453 -1.946 6.808 Start of MODEL 24 1 HA MET 1 HA MET 1 10.704 0.963 18.820 2 HB2 MET 1 HB1 MET 1 8.138 -0.325 17.869 3 HB3 MET 1 HB2 MET 1 9.036 0.949 17.012 4 HG2 MET 1 HG1 MET 1 9.695 -1.058 15.978 5 HG3 MET 1 HG2 MET 1 11.037 -0.629 17.050 6 HE1 MET 1 HE1 MET 1 9.490 -4.667 16.616 7 HE2 MET 1 HE2 MET 1 8.649 -3.293 15.859 8 HE3 MET 1 HE3 MET 1 10.400 -3.508 15.618 9 H GLU 2 H GLU 2 10.421 3.052 19.553 10 HA GLU 2 HA GLU 2 8.421 3.063 21.744 11 HB2 GLU 2 HB1 GLU 2 11.040 4.497 21.162 12 HB3 GLU 2 HB2 GLU 2 10.008 4.919 22.549 13 HG2 GLU 2 HG1 GLU 2 12.039 3.317 22.870 14 HG3 GLU 2 HG2 GLU 2 10.499 2.977 23.688 15 H THR 3 H THR 3 9.494 4.975 18.982 16 HA THR 3 HA THR 3 8.130 7.394 19.856 17 HB THR 3 HB THR 3 9.240 8.516 18.200 18 HG1 THR 3 HG1 THR 3 9.979 7.477 16.305 19 HG21 THR 3 HG21 THR 3 11.574 7.717 18.027 20 HG22 THR 3 HG22 THR 3 10.946 7.551 19.678 21 HG23 THR 3 HG23 THR 3 11.062 6.125 18.620 22 HA PRO 4 HA PRO 4 4.354 6.714 17.954 23 HB2 PRO 4 HB1 PRO 4 3.413 9.144 17.075 24 HB3 PRO 4 HB2 PRO 4 3.639 8.721 18.804 25 HG2 PRO 4 HG1 PRO 4 5.540 10.239 17.007 26 HG3 PRO 4 HG2 PRO 4 4.994 10.685 18.657 27 HD2 PRO 4 HD1 PRO 4 7.371 9.428 18.227 28 HD3 PRO 4 HD2 PRO 4 6.355 9.007 19.637 29 H LEU 5 H LEU 5 6.256 8.735 15.566 30 HA LEU 5 HA LEU 5 4.695 7.797 13.345 31 HB2 LEU 5 HB1 LEU 5 5.877 9.891 13.302 32 HB3 LEU 5 HB2 LEU 5 7.434 9.055 13.509 33 HG LEU 5 HG LEU 5 7.275 8.119 11.272 34 HD11 LEU 5 HD11 LEU 5 5.479 8.791 9.702 35 HD12 LEU 5 HD12 LEU 5 4.824 7.857 11.066 36 HD13 LEU 5 HD13 LEU 5 4.637 9.627 11.028 37 HD21 LEU 5 HD21 LEU 5 7.467 10.290 10.073 38 HD22 LEU 5 HD22 LEU 5 6.641 11.110 11.422 39 HD23 LEU 5 HD23 LEU 5 8.244 10.378 11.675 40 H GLU 6 H GLU 6 7.615 6.494 14.925 41 HA GLU 6 HA GLU 6 8.278 4.587 12.942 42 HB2 GLU 6 HB1 GLU 6 9.790 5.054 14.719 43 HB3 GLU 6 HB2 GLU 6 8.595 4.574 15.947 44 HG2 GLU 6 HG1 GLU 6 10.455 2.923 15.507 45 HG3 GLU 6 HG2 GLU 6 8.800 2.282 15.404 46 H LYS 7 H LYS 7 5.633 4.441 15.471 47 HA LYS 7 HA LYS 7 4.939 1.780 14.881 48 HB2 LYS 7 HB1 LYS 7 3.569 4.034 16.115 49 HB3 LYS 7 HB2 LYS 7 2.460 2.957 15.233 50 HG2 LYS 7 HG1 LYS 7 2.614 2.102 17.467 51 HG3 LYS 7 HG2 LYS 7 3.564 1.009 16.431 52 HD2 LYS 7 HD1 LYS 7 4.968 1.296 18.281 53 HD3 LYS 7 HD2 LYS 7 5.592 2.513 17.141 54 HE2 LYS 7 HE1 LYS 7 4.127 4.231 18.251 55 HE3 LYS 7 HE2 LYS 7 3.653 3.004 19.445 56 HZ1 LYS 7 HZ1 LYS 7 5.439 4.370 20.235 57 HZ2 LYS 7 HZ2 LYS 7 5.952 2.811 20.067 58 HZ3 LYS 7 HZ3 LYS 7 6.393 3.949 18.957 59 H ALA 8 H ALA 8 4.412 4.581 12.731 60 HA ALA 8 HA ALA 8 2.729 3.194 10.884 61 HB1 ALA 8 HB1 ALA 8 3.442 4.933 9.273 62 HB2 ALA 8 HB2 ALA 8 3.031 5.643 10.850 63 HB3 ALA 8 HB3 ALA 8 4.736 5.430 10.386 64 H LEU 9 H LEU 9 6.310 3.549 11.020 65 HA LEU 9 HA LEU 9 6.822 2.017 8.654 66 HB2 LEU 9 HB1 LEU 9 8.515 2.977 10.955 67 HB3 LEU 9 HB2 LEU 9 9.179 1.942 9.668 68 HG LEU 9 HG LEU 9 9.780 4.226 9.291 69 HD11 LEU 9 HD11 LEU 9 8.965 4.561 6.983 70 HD12 LEU 9 HD12 LEU 9 9.361 2.859 7.303 71 HD13 LEU 9 HD13 LEU 9 7.663 3.390 7.283 72 HD21 LEU 9 HD21 LEU 9 8.168 6.036 8.834 73 HD22 LEU 9 HD22 LEU 9 6.831 4.927 9.201 74 HD23 LEU 9 HD23 LEU 9 7.985 5.389 10.476 75 H THR 10 H THR 10 7.190 1.142 12.176 76 HA THR 10 HA THR 10 7.598 -1.585 12.019 77 HB THR 10 HB THR 10 5.933 0.093 13.896 78 HG1 THR 10 HG1 THR 10 7.725 -0.429 15.254 79 HG21 THR 10 HG21 THR 10 5.915 -1.822 15.491 80 HG22 THR 10 HG22 THR 10 5.016 -2.213 14.011 81 HG23 THR 10 HG23 THR 10 6.662 -2.849 14.249 82 H THR 11 H THR 11 4.354 0.051 11.786 83 HA THR 11 HA THR 11 2.871 -2.311 11.289 84 HB THR 11 HB THR 11 2.297 0.497 10.292 85 HG1 THR 11 HG1 THR 11 0.925 0.437 12.142 86 HG21 THR 11 HG21 THR 11 -0.063 -0.273 10.158 87 HG22 THR 11 HG22 THR 11 0.974 -1.206 9.058 88 HG23 THR 11 HG23 THR 11 0.452 -1.914 10.605 89 H MET 12 H MET 12 4.335 -0.010 8.873 90 HA MET 12 HA MET 12 3.497 -1.461 6.611 91 HB2 MET 12 HB1 MET 12 5.903 0.328 7.025 92 HB3 MET 12 HB2 MET 12 5.482 -0.384 5.451 93 HG2 MET 12 HG1 MET 12 3.257 0.716 5.595 94 HG3 MET 12 HG2 MET 12 3.766 1.490 7.105 95 HE1 MET 12 HE1 MET 12 3.598 4.343 4.306 96 HE2 MET 12 HE2 MET 12 2.625 2.854 4.320 97 HE3 MET 12 HE3 MET 12 2.895 3.755 5.831 98 H VAL 13 H VAL 13 6.575 -1.840 8.484 99 HA VAL 13 HA VAL 13 7.624 -3.727 6.592 100 HB VAL 13 HB VAL 13 9.447 -4.152 8.115 101 HG11 VAL 13 HG11 VAL 13 10.462 -1.904 8.108 102 HG12 VAL 13 HG12 VAL 13 9.576 -2.239 6.606 103 HG13 VAL 13 HG13 VAL 13 8.857 -1.190 7.852 104 HG21 VAL 13 HG21 VAL 13 9.767 -2.969 10.247 105 HG22 VAL 13 HG22 VAL 13 8.133 -2.296 10.106 106 HG23 VAL 13 HG23 VAL 13 8.363 -4.051 10.288 107 H THR 14 H THR 14 6.010 -4.171 9.796 108 HA THR 14 HA THR 14 6.327 -7.025 9.769 109 HB THR 14 HB THR 14 5.803 -5.553 11.770 110 HG1 THR 14 HG1 THR 14 4.679 -7.353 12.666 111 HG21 THR 14 HG21 THR 14 3.429 -5.398 12.467 112 HG22 THR 14 HG22 THR 14 3.743 -4.428 11.015 113 HG23 THR 14 HG23 THR 14 2.934 -6.008 10.877 114 H THR 15 H THR 15 3.795 -4.857 8.497 115 HA THR 15 HA THR 15 1.981 -6.945 7.766 116 HB THR 15 HB THR 15 2.213 -4.131 6.658 117 HG1 THR 15 HG1 THR 15 0.579 -3.779 8.239 118 HG21 THR 15 HG21 THR 15 -0.190 -4.416 6.127 119 HG22 THR 15 HG22 THR 15 0.800 -5.611 5.262 120 HG23 THR 15 HG23 THR 15 -0.117 -6.094 6.710 121 H PHE 16 H PHE 16 4.475 -5.184 5.890 122 HA PHE 16 HA PHE 16 4.058 -6.537 3.411 123 HB2 PHE 16 HB1 PHE 16 5.145 -4.357 3.732 124 HB3 PHE 16 HB2 PHE 16 6.472 -5.140 4.608 125 HD1 PHE 16 HD2 PHE 16 8.159 -6.503 3.375 126 HD2 PHE 16 HD1 PHE 16 5.133 -4.224 1.329 127 HE1 PHE 16 HE2 PHE 16 9.550 -6.484 1.322 128 HE2 PHE 16 HE1 PHE 16 6.563 -4.147 -0.698 129 HZ PHE 16 HZ PHE 16 8.775 -5.292 -0.719 130 H HIS 17 H HIS 17 6.180 -7.375 6.240 131 HA HIS 17 HA HIS 17 7.673 -9.381 4.943 132 HB2 HIS 17 HB1 HIS 17 8.067 -8.398 7.227 133 HB3 HIS 17 HB2 HIS 17 6.765 -9.439 7.832 134 HD1 HIS 17 HD1 HIS 17 7.525 -12.209 6.570 135 HD2 HIS 17 HD2 HIS 17 10.266 -9.455 8.151 136 HE1 HIS 17 HE1 HIS 17 9.620 -13.539 7.161 137 HE2 HIS 17 HE2 HIS 17 11.332 -11.869 8.094 138 H LYS 18 H LYS 18 4.314 -9.561 6.149 139 HA LYS 18 HA LYS 18 4.060 -12.401 6.129 140 HB2 LYS 18 HB1 LYS 18 2.070 -10.134 5.780 141 HB3 LYS 18 HB2 LYS 18 1.600 -11.841 5.963 142 HG2 LYS 18 HG1 LYS 18 2.328 -11.925 8.205 143 HG3 LYS 18 HG2 LYS 18 3.310 -10.449 8.037 144 HD2 LYS 18 HD1 LYS 18 1.160 -10.137 9.327 145 HD3 LYS 18 HD2 LYS 18 1.341 -9.062 7.920 146 HE2 LYS 18 HE1 LYS 18 -0.079 -10.644 6.594 147 HE3 LYS 18 HE2 LYS 18 -0.332 -11.601 8.069 148 HZ1 LYS 18 HZ1 LYS 18 -2.127 -10.087 7.674 149 HZ2 LYS 18 HZ2 LYS 18 -1.339 -9.682 9.065 150 HZ3 LYS 18 HZ3 LYS 18 -1.104 -8.793 7.696 151 H TYR 19 H TYR 19 4.069 -10.114 3.482 152 HA TYR 19 HA TYR 19 2.981 -12.134 1.580 153 HB2 TYR 19 HB1 TYR 19 2.996 -9.096 1.574 154 HB3 TYR 19 HB2 TYR 19 2.537 -10.068 0.165 155 HD1 TYR 19 HD1 TYR 19 1.668 -9.387 3.731 156 HD2 TYR 19 HD2 TYR 19 0.294 -10.875 -0.065 157 HE1 TYR 19 HE1 TYR 19 -0.640 -9.504 4.625 158 HE2 TYR 19 HE2 TYR 19 -2.034 -10.941 0.798 159 HH TYR 19 HH TYR 19 -3.418 -10.572 2.588 160 H SER 20 H SER 20 5.769 -10.308 2.457 161 HA SER 20 HA SER 20 7.237 -10.747 -0.065 162 HB2 SER 20 HB1 SER 20 7.244 -8.614 1.319 163 HB3 SER 20 HB2 SER 20 8.126 -9.523 2.571 164 HG SER 20 HG SER 20 9.509 -8.300 1.221 165 H GLY 21 H GLY 21 7.716 -11.512 3.428 166 HA2 GLY 21 HA2 GLY 21 8.907 -13.640 2.400 167 H ARG 22 H ARG 22 6.625 -13.882 2.003 168 HA ARG 22 HA ARG 22 5.716 -16.248 3.356 169 HB2 ARG 22 HB1 ARG 22 4.009 -16.369 1.686 170 HB3 ARG 22 HB2 ARG 22 4.230 -14.665 2.151 171 HG2 ARG 22 HG1 ARG 22 5.194 -14.096 0.089 172 HG3 ARG 22 HG2 ARG 22 5.595 -15.785 -0.303 173 HD2 ARG 22 HD1 ARG 22 2.752 -14.703 -0.122 174 HD3 ARG 22 HD2 ARG 22 3.669 -14.843 -1.637 175 HE ARG 22 HE ARG 22 2.312 -16.951 -0.223 176 HH11 ARG 22 HH12 ARG 22 4.667 -16.327 -2.731 177 HH12 ARG 22 HH11 ARG 22 4.965 -18.021 -3.033 178 HH21 ARG 22 HH22 ARG 22 2.968 -19.131 -0.411 179 HH22 ARG 22 HH21 ARG 22 4.015 -19.585 -1.735 180 H GLU 23 H GLU 23 8.310 -15.877 1.369 181 HA GLU 23 HA GLU 23 9.048 -18.470 0.773 182 HB2 GLU 23 HB1 GLU 23 6.959 -17.535 -1.032 183 HB3 GLU 23 HB2 GLU 23 8.469 -17.875 -1.910 184 HG2 GLU 23 HG1 GLU 23 8.462 -20.153 -1.280 185 HG3 GLU 23 HG2 GLU 23 7.293 -19.880 0.031 186 H GLY 24 H GLY 24 9.009 -15.044 -0.124 187 HA2 GLY 24 HA2 GLY 24 11.562 -15.407 -0.462 188 H SER 25 H SER 25 12.089 -12.401 -1.260 189 HA SER 25 HA SER 25 13.742 -12.235 1.058 190 HB2 SER 25 HB1 SER 25 14.209 -11.182 -1.131 191 HB3 SER 25 HB2 SER 25 12.808 -10.104 -0.914 192 HG SER 25 HG SER 25 14.800 -9.096 -0.364 193 H LYS 26 H LYS 26 13.700 -10.469 2.785 194 HA LYS 26 HA LYS 26 11.003 -9.827 3.687 195 HB2 LYS 26 HB1 LYS 26 13.776 -9.066 4.623 196 HB3 LYS 26 HB2 LYS 26 12.299 -8.432 5.386 197 HG2 LYS 26 HG1 LYS 26 12.340 -10.235 6.691 198 HG3 LYS 26 HG2 LYS 26 11.860 -11.171 5.255 199 HD2 LYS 26 HD1 LYS 26 14.269 -11.573 4.754 200 HD3 LYS 26 HD2 LYS 26 14.699 -10.714 6.252 201 HE2 LYS 26 HE1 LYS 26 12.849 -13.122 6.083 202 HE3 LYS 26 HE2 LYS 26 14.563 -13.193 6.545 203 HZ1 LYS 26 HZ1 LYS 26 13.126 -13.179 8.457 204 HZ2 LYS 26 HZ2 LYS 26 14.047 -11.813 8.427 205 HZ3 LYS 26 HZ3 LYS 26 12.455 -11.747 7.998 206 H LEU 27 H LEU 27 12.830 -8.527 1.231 207 HA LEU 27 HA LEU 27 12.145 -5.673 1.749 208 HB2 LEU 27 HB1 LEU 27 14.405 -7.143 0.382 209 HB3 LEU 27 HB2 LEU 27 14.056 -5.449 -0.035 210 HG LEU 27 HG LEU 27 15.901 -5.970 1.644 211 HD11 LEU 27 HD11 LEU 27 15.449 -3.853 2.838 212 HD12 LEU 27 HD12 LEU 27 15.040 -3.739 1.113 213 HD13 LEU 27 HD13 LEU 27 13.750 -3.936 2.324 214 HD21 LEU 27 HD21 LEU 27 15.320 -6.040 4.043 215 HD22 LEU 27 HD22 LEU 27 13.608 -6.199 3.609 216 HD23 LEU 27 HD23 LEU 27 14.761 -7.484 3.180 217 H THR 28 H THR 28 11.826 -8.321 -0.538 218 HA THR 28 HA THR 28 10.267 -6.597 -2.345 219 HB THR 28 HB THR 28 11.287 -7.619 -4.329 220 HG1 THR 28 HG1 THR 28 13.284 -8.719 -4.042 221 HG21 THR 28 HG21 THR 28 13.444 -6.401 -4.314 222 HG22 THR 28 HG22 THR 28 12.145 -5.435 -3.586 223 HG23 THR 28 HG23 THR 28 13.337 -6.256 -2.548 224 H LEU 29 H LEU 29 8.739 -7.555 -3.643 225 HA LEU 29 HA LEU 29 8.132 -10.409 -3.425 226 HB2 LEU 29 HB1 LEU 29 6.011 -10.233 -2.446 227 HB3 LEU 29 HB2 LEU 29 7.099 -9.275 -1.415 228 HG LEU 29 HG LEU 29 5.046 -8.193 -3.377 229 HD11 LEU 29 HD11 LEU 29 3.943 -7.410 -1.294 230 HD12 LEU 29 HD12 LEU 29 4.127 -9.181 -1.292 231 HD13 LEU 29 HD13 LEU 29 5.229 -8.170 -0.326 232 HD21 LEU 29 HD21 LEU 29 5.614 -5.968 -2.454 233 HD22 LEU 29 HD22 LEU 29 6.907 -6.704 -1.480 234 HD23 LEU 29 HD23 LEU 29 7.018 -6.708 -3.257 235 H SER 30 H SER 30 6.322 -11.096 -4.848 236 HA SER 30 HA SER 30 6.402 -9.803 -7.385 237 HB2 SER 30 HB1 SER 30 4.466 -11.391 -7.886 238 HB3 SER 30 HB2 SER 30 6.010 -12.119 -7.383 239 HG SER 30 HG SER 30 4.196 -13.061 -6.330 240 H ARG 31 H ARG 31 4.979 -8.473 -8.498 241 HA ARG 31 HA ARG 31 3.637 -6.459 -7.212 242 HB2 ARG 31 HB1 ARG 31 2.236 -7.263 -9.672 243 HB3 ARG 31 HB2 ARG 31 2.925 -5.695 -9.188 244 HG2 ARG 31 HG1 ARG 31 4.554 -7.953 -10.348 245 HG3 ARG 31 HG2 ARG 31 3.787 -6.672 -11.318 246 HD2 ARG 31 HD1 ARG 31 5.661 -6.036 -9.046 247 HD3 ARG 31 HD2 ARG 31 6.262 -6.410 -10.676 248 HE ARG 31 HE ARG 31 4.358 -4.419 -11.018 249 HH11 ARG 31 HH12 ARG 31 7.601 -4.639 -9.567 250 HH12 ARG 31 HH11 ARG 31 7.823 -2.913 -9.578 251 HH21 ARG 31 HH22 ARG 31 4.678 -2.197 -10.820 252 HH22 ARG 31 HH21 ARG 31 6.212 -1.572 -10.269 253 H LYS 32 H LYS 32 2.205 -9.496 -8.322 254 HA LYS 32 HA LYS 32 -0.461 -9.403 -7.795 255 HB2 LYS 32 HB1 LYS 32 0.560 -11.291 -8.755 256 HB3 LYS 32 HB2 LYS 32 1.719 -11.458 -7.414 257 HG2 LYS 32 HG1 LYS 32 0.167 -13.299 -7.432 258 HG3 LYS 32 HG2 LYS 32 -0.062 -12.303 -5.975 259 HD2 LYS 32 HD1 LYS 32 -1.847 -11.456 -8.096 260 HD3 LYS 32 HD2 LYS 32 -2.021 -13.198 -7.776 261 HE2 LYS 32 HE1 LYS 32 -2.295 -10.949 -5.757 262 HE3 LYS 32 HE2 LYS 32 -3.613 -11.915 -6.454 263 HZ1 LYS 32 HZ1 LYS 32 -3.032 -12.657 -4.260 264 HZ2 LYS 32 HZ2 LYS 32 -2.699 -13.830 -5.366 265 HZ3 LYS 32 HZ3 LYS 32 -1.475 -12.935 -4.719 266 H GLU 33 H GLU 33 2.056 -10.038 -5.279 267 HA GLU 33 HA GLU 33 0.011 -10.485 -3.271 268 HB2 GLU 33 HB1 GLU 33 3.029 -10.321 -3.076 269 HB3 GLU 33 HB2 GLU 33 1.940 -10.819 -1.760 270 HG2 GLU 33 HG1 GLU 33 2.243 -12.253 -4.418 271 HG3 GLU 33 HG2 GLU 33 3.034 -12.729 -2.899 272 H LEU 34 H LEU 34 2.318 -7.774 -3.969 273 HA LEU 34 HA LEU 34 1.558 -6.270 -1.646 274 HB2 LEU 34 HB1 LEU 34 3.607 -5.945 -3.082 275 HB3 LEU 34 HB2 LEU 34 2.552 -5.251 -4.335 276 HG LEU 34 HG LEU 34 1.798 -3.521 -2.683 277 HD11 LEU 34 HD11 LEU 34 3.101 -3.225 -0.594 278 HD12 LEU 34 HD12 LEU 34 2.256 -4.791 -0.606 279 HD13 LEU 34 HD13 LEU 34 4.003 -4.720 -0.944 280 HD21 LEU 34 HD21 LEU 34 3.904 -2.243 -2.764 281 HD22 LEU 34 HD22 LEU 34 4.801 -3.739 -3.128 282 HD23 LEU 34 HD23 LEU 34 3.616 -3.105 -4.295 283 H LYS 35 H LYS 35 0.418 -6.236 -5.013 284 HA LYS 35 HA LYS 35 -1.599 -4.263 -4.846 285 HB2 LYS 35 HB1 LYS 35 -0.603 -5.214 -6.842 286 HB3 LYS 35 HB2 LYS 35 -1.278 -6.813 -6.441 287 HG2 LYS 35 HG1 LYS 35 -2.879 -4.403 -7.257 288 HG3 LYS 35 HG2 LYS 35 -2.325 -5.693 -8.350 289 HD2 LYS 35 HD1 LYS 35 -4.562 -5.662 -6.387 290 HD3 LYS 35 HD2 LYS 35 -4.485 -6.316 -8.040 291 HE2 LYS 35 HE1 LYS 35 -2.724 -7.931 -6.654 292 HE3 LYS 35 HE2 LYS 35 -4.003 -7.623 -5.460 293 HZ1 LYS 35 HZ1 LYS 35 -4.445 -9.573 -6.752 294 HZ2 LYS 35 HZ2 LYS 35 -5.587 -8.424 -7.045 295 HZ3 LYS 35 HZ3 LYS 35 -4.400 -8.709 -8.153 296 H GLU 36 H GLU 36 -1.594 -7.713 -3.851 297 HA GLU 36 HA GLU 36 -4.379 -7.879 -3.260 298 HB2 GLU 36 HB1 GLU 36 -2.384 -9.673 -3.419 299 HB3 GLU 36 HB2 GLU 36 -2.382 -9.432 -1.655 300 HG2 GLU 36 HG1 GLU 36 -3.964 -11.087 -1.751 301 HG3 GLU 36 HG2 GLU 36 -5.036 -9.701 -2.039 302 H LEU 37 H LEU 37 -1.533 -7.015 -1.250 303 HA LEU 37 HA LEU 37 -2.642 -7.100 1.287 304 HB2 LEU 37 HB1 LEU 37 -0.266 -6.132 -0.005 305 HB3 LEU 37 HB2 LEU 37 -0.821 -4.874 1.125 306 HG LEU 37 HG LEU 37 -0.316 -7.783 1.804 307 HD11 LEU 37 HD11 LEU 37 1.656 -6.926 3.033 308 HD12 LEU 37 HD12 LEU 37 1.750 -6.536 1.301 309 HD13 LEU 37 HD13 LEU 37 1.284 -5.280 2.472 310 HD21 LEU 37 HD21 LEU 37 -0.580 -7.116 4.167 311 HD22 LEU 37 HD22 LEU 37 -0.995 -5.468 3.649 312 HD23 LEU 37 HD23 LEU 37 -2.066 -6.829 3.236 313 H ILE 38 H ILE 38 -2.961 -4.550 -1.099 314 HA ILE 38 HA ILE 38 -3.727 -2.520 0.872 315 HB ILE 38 HB ILE 38 -3.203 -2.391 -2.111 316 HG12 ILE 38 HG13 ILE 38 -1.443 -1.494 0.209 317 HG13 ILE 38 HG12 ILE 38 -1.293 -3.081 -0.582 318 HG21 ILE 38 HG21 ILE 38 -3.016 0.060 -1.808 319 HG22 ILE 38 HG22 ILE 38 -4.643 -0.523 -1.395 320 HG23 ILE 38 HG23 ILE 38 -3.487 -0.121 -0.103 321 HD11 ILE 38 HD11 ILE 38 0.365 -1.482 -1.469 322 HD12 ILE 38 HD12 ILE 38 -0.798 -1.971 -2.721 323 HD13 ILE 38 HD13 ILE 38 -0.951 -0.382 -1.931 324 H LYS 39 H LYS 39 -5.384 -4.687 -1.318 325 HA LYS 39 HA LYS 39 -7.957 -3.362 -0.653 326 HB2 LYS 39 HB1 LYS 39 -7.157 -5.754 -2.352 327 HB3 LYS 39 HB2 LYS 39 -8.822 -5.157 -2.164 328 HG2 LYS 39 HG1 LYS 39 -6.567 -3.501 -3.291 329 HG3 LYS 39 HG2 LYS 39 -7.611 -4.541 -4.288 330 HD2 LYS 39 HD1 LYS 39 -8.831 -2.340 -2.650 331 HD3 LYS 39 HD2 LYS 39 -8.004 -1.964 -4.181 332 HE2 LYS 39 HE1 LYS 39 -9.561 -4.000 -5.028 333 HE3 LYS 39 HE2 LYS 39 -10.573 -3.416 -3.690 334 HZ1 LYS 39 HZ1 LYS 39 -11.142 -2.360 -5.758 335 HZ2 LYS 39 HZ2 LYS 39 -10.547 -1.247 -4.698 336 HZ3 LYS 39 HZ3 LYS 39 -9.609 -1.787 -5.942 337 H LYS 40 H LYS 40 -5.864 -5.944 0.428 338 HA LYS 40 HA LYS 40 -7.891 -7.574 1.743 339 HB2 LYS 40 HB1 LYS 40 -4.860 -7.532 1.596 340 HB3 LYS 40 HB2 LYS 40 -5.711 -8.612 2.727 341 HG2 LYS 40 HG1 LYS 40 -6.431 -8.652 -0.188 342 HG3 LYS 40 HG2 LYS 40 -4.953 -9.472 0.369 343 HD2 LYS 40 HD1 LYS 40 -7.021 -10.215 2.174 344 HD3 LYS 40 HD2 LYS 40 -7.702 -10.354 0.535 345 HE2 LYS 40 HE1 LYS 40 -6.713 -12.476 1.049 346 HE3 LYS 40 HE2 LYS 40 -5.629 -11.671 -0.106 347 HZ1 LYS 40 HZ1 LYS 40 -4.418 -12.679 1.693 348 HZ2 LYS 40 HZ2 LYS 40 -4.236 -11.042 1.735 349 HZ3 LYS 40 HZ3 LYS 40 -5.242 -11.788 2.808 350 H GLU 41 H GLU 41 -5.088 -5.669 2.913 351 HA GLU 41 HA GLU 41 -6.222 -5.748 5.656 352 HB2 GLU 41 HB1 GLU 41 -3.314 -5.663 4.778 353 HB3 GLU 41 HB2 GLU 41 -3.898 -5.726 6.456 354 HG2 GLU 41 HG1 GLU 41 -5.123 -7.867 5.824 355 HG3 GLU 41 HG2 GLU 41 -4.224 -7.832 4.292 356 H LEU 42 H LEU 42 -4.835 -3.453 3.206 357 HA LEU 42 HA LEU 42 -6.243 -1.464 4.908 358 HB2 LEU 42 HB1 LEU 42 -4.179 -1.176 3.164 359 HB3 LEU 42 HB2 LEU 42 -5.556 -0.855 2.083 360 HG LEU 42 HG LEU 42 -5.083 0.570 4.720 361 HD11 LEU 42 HD11 LEU 42 -4.279 2.472 3.351 362 HD12 LEU 42 HD12 LEU 42 -3.255 1.033 3.127 363 HD13 LEU 42 HD13 LEU 42 -4.445 1.482 1.881 364 HD21 LEU 42 HD21 LEU 42 -6.712 2.216 3.865 365 HD22 LEU 42 HD22 LEU 42 -6.929 1.236 2.399 366 HD23 LEU 42 HD23 LEU 42 -7.428 0.594 3.982 367 H CYS 43 H CYS 43 -8.369 -1.159 4.728 368 HA CYS 43 HA CYS 43 -10.032 -1.504 2.469 369 HB2 CYS 43 HB1 CYS 43 -9.694 -3.896 2.768 370 HB3 CYS 43 HB2 CYS 43 -10.182 -3.780 4.477 371 HG CYS 43 HG CYS 43 -12.107 -4.873 3.078 372 H LEU 44 H LEU 44 -10.517 0.589 3.151 373 HA LEU 44 HA LEU 44 -11.246 1.234 5.847 374 HB2 LEU 44 HB1 LEU 44 -11.726 2.801 3.292 375 HB3 LEU 44 HB2 LEU 44 -11.791 3.440 4.952 376 HG LEU 44 HG LEU 44 -9.350 2.458 3.456 377 HD11 LEU 44 HD11 LEU 44 -8.584 4.800 3.690 378 HD12 LEU 44 HD12 LEU 44 -10.125 4.706 2.809 379 HD13 LEU 44 HD13 LEU 44 -10.105 5.210 4.515 380 HD21 LEU 44 HD21 LEU 44 -8.036 3.112 5.446 381 HD22 LEU 44 HD22 LEU 44 -9.541 3.492 6.309 382 HD23 LEU 44 HD23 LEU 44 -9.190 1.815 5.826 383 H GLY 45 H GLY 45 -13.280 -0.143 3.262 384 HA2 GLY 45 HA2 GLY 45 -14.995 0.177 2.725 385 H GLU 46 H GLU 46 -16.642 1.884 1.499 386 HA GLU 46 HA GLU 46 -14.760 1.532 -0.715 387 HB2 GLU 46 HB1 GLU 46 -17.056 1.643 -1.992 388 HB3 GLU 46 HB2 GLU 46 -16.559 0.193 -1.088 389 HG2 GLU 46 HG1 GLU 46 -17.985 0.877 0.804 390 HG3 GLU 46 HG2 GLU 46 -18.474 2.336 -0.087 391 H MET 47 H MET 47 -15.018 4.111 0.960 392 HA MET 47 HA MET 47 -16.239 6.219 -0.351 393 HB2 MET 47 HB1 MET 47 -13.569 6.308 1.095 394 HB3 MET 47 HB2 MET 47 -14.705 7.659 0.870 395 HG2 MET 47 HG1 MET 47 -16.265 6.736 2.397 396 HG3 MET 47 HG2 MET 47 -15.458 5.158 2.397 397 HE1 MET 47 HE1 MET 47 -12.105 5.944 4.284 398 HE2 MET 47 HE2 MET 47 -13.078 4.704 3.459 399 HE3 MET 47 HE3 MET 47 -12.394 6.061 2.533 400 H LYS 48 H LYS 48 -13.055 4.824 -1.092 401 HA LYS 48 HA LYS 48 -12.540 6.911 -3.142 402 HB2 LYS 48 HB1 LYS 48 -11.595 7.082 -0.710 403 HB3 LYS 48 HB2 LYS 48 -10.552 5.718 -1.179 404 HG2 LYS 48 HG1 LYS 48 -9.346 7.722 -1.577 405 HG3 LYS 48 HG2 LYS 48 -9.828 7.047 -3.153 406 HD2 LYS 48 HD1 LYS 48 -10.041 9.494 -3.002 407 HD3 LYS 48 HD2 LYS 48 -11.553 8.646 -3.406 408 HE2 LYS 48 HE1 LYS 48 -12.632 9.381 -1.534 409 HE3 LYS 48 HE2 LYS 48 -11.148 9.452 -0.559 410 HZ1 LYS 48 HZ1 LYS 48 -11.988 11.641 -1.060 411 HZ2 LYS 48 HZ2 LYS 48 -10.520 11.423 -1.777 412 HZ3 LYS 48 HZ3 LYS 48 -11.897 11.358 -2.681 413 H GLU 49 H GLU 49 -12.781 5.696 -4.967 414 HA GLU 49 HA GLU 49 -11.326 3.159 -5.247 415 HB2 GLU 49 HB1 GLU 49 -14.243 3.436 -4.755 416 HB3 GLU 49 HB2 GLU 49 -13.811 2.362 -6.106 417 HG2 GLU 49 HG1 GLU 49 -12.690 2.179 -3.287 418 HG3 GLU 49 HG2 GLU 49 -13.993 1.161 -3.938 419 H SER 50 H SER 50 -11.641 2.093 -7.335 420 HA SER 50 HA SER 50 -12.016 1.799 -9.531 421 HB2 SER 50 HB1 SER 50 -14.221 2.935 -9.136 422 HB3 SER 50 HB2 SER 50 -13.461 4.464 -9.637 423 HG SER 50 HG SER 50 -14.499 3.375 -11.375 424 H SER 51 H SER 51 -11.380 5.362 -9.187 425 HA SER 51 HA SER 51 -9.298 5.386 -11.157 426 HB2 SER 51 HB1 SER 51 -9.659 7.258 -8.787 427 HB3 SER 51 HB2 SER 51 -8.762 7.586 -10.288 428 HG SER 51 HG SER 51 -10.864 8.523 -10.284 429 H ILE 52 H ILE 52 -9.298 3.747 -8.272 430 HA ILE 52 HA ILE 52 -6.340 3.782 -8.121 431 HB ILE 52 HB ILE 52 -6.479 2.862 -5.929 432 HG12 ILE 52 HG13 ILE 52 -8.824 2.923 -4.761 433 HG13 ILE 52 HG12 ILE 52 -9.426 2.589 -6.402 434 HG21 ILE 52 HG21 ILE 52 -7.503 4.794 -4.752 435 HG22 ILE 52 HG22 ILE 52 -6.610 5.312 -6.200 436 HG23 ILE 52 HG23 ILE 52 -8.388 5.219 -6.235 437 HD11 ILE 52 HD11 ILE 52 -9.158 0.491 -5.109 438 HD12 ILE 52 HD12 ILE 52 -8.049 0.545 -6.493 439 HD13 ILE 52 HD13 ILE 52 -7.444 0.877 -4.853 440 H ASP 53 H ASP 53 -8.936 1.969 -9.392 441 HA ASP 53 HA ASP 53 -7.561 -0.591 -9.054 442 HB2 ASP 53 HB1 ASP 53 -10.238 0.071 -9.272 443 HB3 ASP 53 HB2 ASP 53 -9.859 -0.672 -10.840 444 H ASP 54 H ASP 54 -7.898 1.869 -11.651 445 HA ASP 54 HA ASP 54 -6.262 0.592 -13.553 446 HB2 ASP 54 HB1 ASP 54 -7.082 2.864 -13.903 447 HB3 ASP 54 HB2 ASP 54 -6.141 3.455 -12.517 448 H LEU 55 H LEU 55 -5.265 2.237 -10.475 449 HA LEU 55 HA LEU 55 -2.477 1.774 -10.808 450 HB2 LEU 55 HB1 LEU 55 -3.951 2.062 -8.180 451 HB3 LEU 55 HB2 LEU 55 -2.226 2.369 -8.499 452 HG LEU 55 HG LEU 55 -4.544 3.991 -9.595 453 HD11 LEU 55 HD11 LEU 55 -3.769 5.723 -8.002 454 HD12 LEU 55 HD12 LEU 55 -4.257 4.236 -7.153 455 HD13 LEU 55 HD13 LEU 55 -2.530 4.601 -7.388 456 HD21 LEU 55 HD21 LEU 55 -2.802 5.589 -10.323 457 HD22 LEU 55 HD22 LEU 55 -1.543 4.477 -9.742 458 HD23 LEU 55 HD23 LEU 55 -2.592 4.003 -11.100 459 H MET 56 H MET 56 -4.994 -0.109 -9.023 460 HA MET 56 HA MET 56 -3.487 -2.293 -8.173 461 HB2 MET 56 HB1 MET 56 -6.287 -2.210 -9.348 462 HB3 MET 56 HB2 MET 56 -5.582 -3.646 -8.568 463 HG2 MET 56 HG1 MET 56 -5.520 -1.116 -7.003 464 HG3 MET 56 HG2 MET 56 -7.114 -1.840 -7.273 465 HE1 MET 56 HE1 MET 56 -3.829 -3.283 -4.448 466 HE2 MET 56 HE2 MET 56 -3.407 -2.662 -6.058 467 HE3 MET 56 HE3 MET 56 -4.281 -1.626 -4.903 468 H LYS 57 H LYS 57 -5.159 -1.985 -11.376 469 HA LYS 57 HA LYS 57 -3.884 -4.386 -12.329 470 HB2 LYS 57 HB1 LYS 57 -6.167 -2.929 -13.015 471 HB3 LYS 57 HB2 LYS 57 -5.112 -2.855 -14.446 472 HG2 LYS 57 HG1 LYS 57 -5.783 -5.412 -12.936 473 HG3 LYS 57 HG2 LYS 57 -6.633 -4.860 -14.399 474 HD2 LYS 57 HD1 LYS 57 -4.477 -4.942 -15.645 475 HD3 LYS 57 HD2 LYS 57 -3.686 -5.582 -14.184 476 HE2 LYS 57 HE1 LYS 57 -6.120 -7.011 -15.187 477 HE3 LYS 57 HE2 LYS 57 -4.624 -7.174 -16.132 478 HZ1 LYS 57 HZ1 LYS 57 -4.843 -8.915 -14.505 479 HZ2 LYS 57 HZ2 LYS 57 -3.538 -7.970 -14.154 480 HZ3 LYS 57 HZ3 LYS 57 -4.928 -7.819 -13.278 481 H SER 58 H SER 58 -2.673 -1.284 -12.081 482 HA SER 58 HA SER 58 -0.836 -1.481 -14.284 483 HB2 SER 58 HB1 SER 58 -1.634 0.650 -12.963 484 HB3 SER 58 HB2 SER 58 -0.205 0.283 -11.967 485 HG SER 58 HG SER 58 0.293 1.619 -13.782 486 H LEU 59 H LEU 59 -0.766 -2.538 -10.942 487 HA LEU 59 HA LEU 59 1.947 -3.667 -11.046 488 HB2 LEU 59 HB1 LEU 59 -0.342 -3.836 -9.037 489 HB3 LEU 59 HB2 LEU 59 1.319 -4.412 -8.762 490 HG LEU 59 HG LEU 59 0.381 -1.542 -9.053 491 HD11 LEU 59 HD11 LEU 59 1.215 -1.370 -6.723 492 HD12 LEU 59 HD12 LEU 59 -0.034 -2.629 -6.869 493 HD13 LEU 59 HD13 LEU 59 1.684 -3.086 -6.763 494 HD21 LEU 59 HD21 LEU 59 2.721 -0.847 -8.660 495 HD22 LEU 59 HD22 LEU 59 3.232 -2.548 -8.721 496 HD23 LEU 59 HD23 LEU 59 2.562 -1.767 -10.173 497 H ASP 60 H ASP 60 -1.401 -4.887 -10.731 498 HA ASP 60 HA ASP 60 -0.939 -7.652 -11.212 499 HB2 ASP 60 HB1 ASP 60 -2.972 -6.100 -10.335 500 HB3 ASP 60 HB2 ASP 60 -3.511 -6.363 -12.008 501 H LYS 61 H LYS 61 -0.624 -5.067 -13.370 502 HA LYS 61 HA LYS 61 -1.209 -5.817 -15.937 503 HB2 LYS 61 HB1 LYS 61 -0.037 -3.795 -14.980 504 HB3 LYS 61 HB2 LYS 61 1.433 -4.785 -14.811 505 HG2 LYS 61 HG1 LYS 61 1.961 -3.747 -16.740 506 HG3 LYS 61 HG2 LYS 61 1.035 -5.102 -17.430 507 HD2 LYS 61 HD1 LYS 61 0.469 -2.962 -18.471 508 HD3 LYS 61 HD2 LYS 61 -0.923 -3.710 -17.654 509 HE2 LYS 61 HE1 LYS 61 -0.606 -1.167 -17.460 510 HE3 LYS 61 HE2 LYS 61 -0.988 -2.090 -15.991 511 HZ1 LYS 61 HZ1 LYS 61 0.721 -0.459 -15.599 512 HZ2 LYS 61 HZ2 LYS 61 1.325 -1.977 -15.396 513 HZ3 LYS 61 HZ3 LYS 61 1.680 -1.121 -16.762 514 H ASN 62 H ASN 62 1.538 -6.993 -13.987 515 HA ASN 62 HA ASN 62 2.101 -9.164 -15.912 516 HB2 ASN 62 HB1 ASN 62 4.035 -7.007 -14.993 517 HB3 ASN 62 HB2 ASN 62 4.564 -8.539 -15.718 518 HD21 ASN 62 HD21 ASN 62 3.354 -9.076 -17.851 519 HD22 ASN 62 HD22 ASN 62 3.169 -7.746 -18.978 520 H SER 63 H SER 63 2.538 -7.852 -12.599 521 HA SER 63 HA SER 63 1.724 -8.940 -10.832 522 HB2 SER 63 HB1 SER 63 1.449 -11.302 -12.706 523 HB3 SER 63 HB2 SER 63 0.974 -11.362 -10.992 524 HG SER 63 HG SER 63 -0.756 -10.735 -12.371 525 H ASP 64 H ASP 64 4.423 -10.685 -12.413 526 HA ASP 64 HA ASP 64 4.988 -11.955 -9.776 527 HB2 ASP 64 HB1 ASP 64 4.920 -13.249 -12.518 528 HB3 ASP 64 HB2 ASP 64 5.522 -14.038 -11.044 529 H GLN 65 H GLN 65 6.148 -9.994 -12.195 530 HA GLN 65 HA GLN 65 8.895 -9.952 -11.475 531 HB2 GLN 65 HB1 GLN 65 8.037 -7.298 -11.627 532 HB3 GLN 65 HB2 GLN 65 8.711 -8.275 -12.954 533 HG2 GLN 65 HG1 GLN 65 6.580 -8.684 -13.882 534 HG3 GLN 65 HG2 GLN 65 5.740 -8.159 -12.407 535 HE21 GLN 65 HE12 GLN 65 8.181 -6.706 -14.704 536 HE22 GLN 65 HE22 GLN 65 7.341 -5.179 -14.833 537 H GLU 66 H GLU 66 9.954 -8.702 -9.867 538 HA GLU 66 HA GLU 66 8.532 -8.531 -7.358 539 HB2 GLU 66 HB1 GLU 66 11.382 -7.870 -8.150 540 HB3 GLU 66 HB2 GLU 66 10.757 -7.748 -6.488 541 HG2 GLU 66 HG1 GLU 66 10.306 -10.130 -6.421 542 HG3 GLU 66 HG2 GLU 66 10.713 -10.302 -8.140 543 H ILE 67 H ILE 67 8.286 -6.775 -6.028 544 HA ILE 67 HA ILE 67 8.673 -3.996 -7.018 545 HB ILE 67 HB ILE 67 6.623 -5.225 -5.128 546 HG12 ILE 67 HG13 ILE 67 6.363 -3.263 -7.421 547 HG13 ILE 67 HG12 ILE 67 6.219 -5.030 -7.593 548 HG21 ILE 67 HG21 ILE 67 5.891 -2.939 -4.514 549 HG22 ILE 67 HG22 ILE 67 7.558 -3.245 -3.975 550 HG23 ILE 67 HG23 ILE 67 7.259 -2.260 -5.428 551 HD11 ILE 67 HD11 ILE 67 3.999 -3.952 -7.572 552 HD12 ILE 67 HD12 ILE 67 4.230 -5.009 -6.166 553 HD13 ILE 67 HD13 ILE 67 4.373 -3.242 -5.991 554 H ASP 68 H ASP 68 9.940 -2.701 -5.823 555 HA ASP 68 HA ASP 68 11.096 -3.479 -3.223 556 HB2 ASP 68 HB1 ASP 68 12.486 -2.492 -4.991 557 HB3 ASP 68 HB2 ASP 68 11.420 -1.071 -5.057 558 H PHE 69 H PHE 69 10.710 -2.458 -1.324 559 HA PHE 69 HA PHE 69 8.346 -1.507 -0.398 560 HB2 PHE 69 HB1 PHE 69 10.766 -2.052 0.614 561 HB3 PHE 69 HB2 PHE 69 10.861 -0.284 0.682 562 HD1 PHE 69 HD1 PHE 69 8.984 0.970 1.994 563 HD2 PHE 69 HD2 PHE 69 9.653 -3.277 2.270 564 HE1 PHE 69 HE1 PHE 69 7.822 0.933 4.189 565 HE2 PHE 69 HE2 PHE 69 8.516 -3.305 4.478 566 HZ PHE 69 HZ PHE 69 7.649 -1.198 5.462 567 H LYS 70 H LYS 70 10.501 0.507 -2.323 568 HA LYS 70 HA LYS 70 9.500 3.088 -1.579 569 HB2 LYS 70 HB1 LYS 70 10.827 1.910 -4.048 570 HB3 LYS 70 HB2 LYS 70 10.496 3.648 -3.851 571 HG2 LYS 70 HG1 LYS 70 12.059 3.871 -2.115 572 HG3 LYS 70 HG2 LYS 70 12.086 2.122 -1.787 573 HD2 LYS 70 HD1 LYS 70 12.994 1.832 -4.193 574 HD3 LYS 70 HD2 LYS 70 13.248 3.594 -4.200 575 HE2 LYS 70 HE1 LYS 70 15.284 2.761 -3.347 576 HE3 LYS 70 HE2 LYS 70 14.378 3.223 -1.890 577 HZ1 LYS 70 HZ1 LYS 70 15.369 1.056 -1.669 578 HZ2 LYS 70 HZ2 LYS 70 13.724 0.933 -1.646 579 HZ3 LYS 70 HZ3 LYS 70 14.566 0.502 -2.997 580 H GLU 71 H GLU 71 8.661 0.842 -4.301 581 HA GLU 71 HA GLU 71 6.574 2.436 -5.360 582 HB2 GLU 71 HB1 GLU 71 6.431 -0.570 -5.349 583 HB3 GLU 71 HB2 GLU 71 5.804 0.580 -6.553 584 HG2 GLU 71 HG1 GLU 71 8.205 1.121 -7.135 585 HG3 GLU 71 HG2 GLU 71 8.688 -0.238 -6.098 586 H TYR 72 H TYR 72 6.712 0.171 -2.644 587 HA TYR 72 HA TYR 72 3.908 -0.151 -2.206 588 HB2 TYR 72 HB1 TYR 72 5.412 -1.740 -1.357 589 HB3 TYR 72 HB2 TYR 72 6.427 -0.502 -0.597 590 HD1 TYR 72 HD2 TYR 72 2.698 -0.877 -0.151 591 HD2 TYR 72 HD1 TYR 72 6.638 -1.293 1.540 592 HE1 TYR 72 HE2 TYR 72 1.706 -1.708 1.972 593 HE2 TYR 72 HE1 TYR 72 5.646 -1.993 3.704 594 HH TYR 72 HH TYR 72 2.120 -2.478 4.098 595 H SER 73 H SER 73 6.295 2.087 -0.700 596 HA SER 73 HA SER 73 4.280 3.392 0.885 597 HB2 SER 73 HB1 SER 73 6.132 5.028 1.331 598 HB3 SER 73 HB2 SER 73 6.480 3.329 1.733 599 HG SER 73 HG SER 73 8.204 4.352 0.622 600 H VAL 74 H VAL 74 5.785 4.295 -2.327 601 HA VAL 74 HA VAL 74 4.254 6.724 -2.423 602 HB VAL 74 HB VAL 74 4.690 6.902 -4.762 603 HG11 VAL 74 HG11 VAL 74 7.143 7.009 -4.720 604 HG12 VAL 74 HG12 VAL 74 6.424 7.593 -3.205 605 HG13 VAL 74 HG13 VAL 74 7.156 5.973 -3.278 606 HG21 VAL 74 HG21 VAL 74 5.970 5.284 -6.086 607 HG22 VAL 74 HG22 VAL 74 5.940 4.156 -4.717 608 HG23 VAL 74 HG23 VAL 74 4.423 4.618 -5.527 609 H PHE 75 H PHE 75 3.421 3.379 -3.355 610 HA PHE 75 HA PHE 75 1.041 4.148 -4.826 611 HB2 PHE 75 HB1 PHE 75 2.379 2.061 -5.142 612 HB3 PHE 75 HB2 PHE 75 1.795 1.500 -3.566 613 HD1 PHE 75 HD2 PHE 75 -0.726 1.140 -3.259 614 HD2 PHE 75 HD1 PHE 75 1.088 1.812 -7.102 615 HE1 PHE 75 HE2 PHE 75 -2.584 -0.098 -4.346 616 HE2 PHE 75 HE1 PHE 75 -0.767 0.580 -8.187 617 HZ PHE 75 HZ PHE 75 -2.609 -0.373 -6.821 618 H LEU 76 H LEU 76 1.659 2.936 -1.452 619 HA LEU 76 HA LEU 76 -0.986 3.345 -0.523 620 HB2 LEU 76 HB1 LEU 76 1.723 3.417 0.809 621 HB3 LEU 76 HB2 LEU 76 0.223 3.729 1.718 622 HG LEU 76 HG LEU 76 0.965 1.174 0.252 623 HD11 LEU 76 HD11 LEU 76 1.015 0.242 2.548 624 HD12 LEU 76 HD12 LEU 76 2.171 1.585 2.374 625 HD13 LEU 76 HD13 LEU 76 0.623 1.847 3.211 626 HD21 LEU 76 HD21 LEU 76 -1.117 0.221 1.193 627 HD22 LEU 76 HD22 LEU 76 -1.547 1.815 1.853 628 HD23 LEU 76 HD23 LEU 76 -1.465 1.572 0.091 629 H THR 77 H THR 77 1.738 5.711 -0.793 630 HA THR 77 HA THR 77 0.334 7.872 0.456 631 HB THR 77 HB THR 77 2.663 7.853 -1.486 632 HG1 THR 77 HG1 THR 77 3.730 8.167 0.519 633 HG21 THR 77 HG21 THR 77 3.152 10.136 -0.655 634 HG22 THR 77 HG22 THR 77 1.588 10.081 -1.498 635 HG23 THR 77 HG23 THR 77 1.642 10.114 0.281 636 H MET 78 H MET 78 0.681 6.915 -2.966 637 HA MET 78 HA MET 78 -0.838 8.975 -4.160 638 HB2 MET 78 HB1 MET 78 0.609 7.422 -5.368 639 HB3 MET 78 HB2 MET 78 -0.448 6.062 -4.924 640 HG2 MET 78 HG1 MET 78 -2.174 6.787 -6.329 641 HG3 MET 78 HG2 MET 78 -1.504 8.422 -6.465 642 HE1 MET 78 HE1 MET 78 0.977 4.985 -8.395 643 HE2 MET 78 HE2 MET 78 1.148 5.600 -6.738 644 HE3 MET 78 HE3 MET 78 -0.279 4.637 -7.189 645 H LEU 79 H LEU 79 -1.901 5.843 -2.723 646 HA LEU 79 HA LEU 79 -4.688 6.246 -3.207 647 HB2 LEU 79 HB1 LEU 79 -3.215 4.183 -2.272 648 HB3 LEU 79 HB2 LEU 79 -3.838 4.820 -0.732 649 HG LEU 79 HG LEU 79 -5.385 3.207 -1.264 650 HD11 LEU 79 HD11 LEU 79 -7.508 4.225 -2.015 651 HD12 LEU 79 HD12 LEU 79 -6.641 5.273 -0.875 652 HD13 LEU 79 HD13 LEU 79 -6.609 5.631 -2.619 653 HD21 LEU 79 HD21 LEU 79 -6.216 2.719 -3.540 654 HD22 LEU 79 HD22 LEU 79 -5.257 4.075 -4.177 655 HD23 LEU 79 HD23 LEU 79 -4.440 2.661 -3.466 656 H CYS 80 H CYS 80 -2.609 7.055 -0.387 657 HA CYS 80 HA CYS 80 -4.633 8.101 1.278 658 HB2 CYS 80 HB1 CYS 80 -2.173 7.372 1.715 659 HB3 CYS 80 HB2 CYS 80 -1.770 9.056 1.296 660 HG CYS 80 HG CYS 80 -1.858 8.782 3.892 661 H MET 81 H MET 81 -2.536 9.833 -1.094 662 HA MET 81 HA MET 81 -3.685 12.387 -0.498 663 HB2 MET 81 HB1 MET 81 -2.329 13.273 -2.157 664 HB3 MET 81 HB2 MET 81 -1.400 11.942 -1.428 665 HG2 MET 81 HG1 MET 81 -1.839 10.515 -3.311 666 HG3 MET 81 HG2 MET 81 -2.983 11.678 -3.999 667 HE1 MET 81 HE1 MET 81 -0.723 14.646 -5.027 668 HE2 MET 81 HE2 MET 81 -2.373 13.974 -4.985 669 HE3 MET 81 HE3 MET 81 -1.549 14.405 -3.467 670 H ALA 82 H ALA 82 -4.860 9.747 -2.482 671 HA ALA 82 HA ALA 82 -6.711 11.337 -3.955 672 HB1 ALA 82 HB1 ALA 82 -7.963 9.237 -4.263 673 HB2 ALA 82 HB2 ALA 82 -6.219 9.010 -4.534 674 HB3 ALA 82 HB3 ALA 82 -6.963 8.461 -3.013 675 H TYR 83 H TYR 83 -6.641 10.499 -0.542 676 HA TYR 83 HA TYR 83 -9.346 11.648 -0.240 677 HB2 TYR 83 HB1 TYR 83 -9.801 10.142 1.598 678 HB3 TYR 83 HB2 TYR 83 -9.486 9.283 0.081 679 HD1 TYR 83 HD1 TYR 83 -7.706 10.295 3.265 680 HD2 TYR 83 HD2 TYR 83 -8.156 7.461 0.062 681 HE1 TYR 83 HE1 TYR 83 -6.118 8.756 4.401 682 HE2 TYR 83 HE2 TYR 83 -6.763 5.838 1.285 683 HH TYR 83 HH TYR 83 -5.434 5.442 3.084 684 H ASN 84 H ASN 84 -6.278 12.603 0.386 685 HA ASN 84 HA ASN 84 -6.773 13.579 3.058 686 HB2 ASN 84 HB1 ASN 84 -4.670 14.539 1.142 687 HB3 ASN 84 HB2 ASN 84 -4.754 14.840 2.890 688 HD21 ASN 84 HD21 ASN 84 -5.391 12.092 3.685 689 HD22 ASN 84 HD22 ASN 84 -3.938 11.148 3.390 690 H ASP 85 H ASP 85 -8.523 14.432 0.417 691 HA ASP 85 HA ASP 85 -9.191 17.076 1.030 692 HB2 ASP 85 HB1 ASP 85 -11.479 16.473 0.402 693 HB3 ASP 85 HB2 ASP 85 -10.270 15.820 -0.724 694 H PHE 86 H PHE 86 -9.519 14.256 3.138 695 HA PHE 86 HA PHE 86 -11.116 15.344 5.174 696 HB2 PHE 86 HB1 PHE 86 -8.680 13.546 5.368 697 HB3 PHE 86 HB2 PHE 86 -9.893 13.778 6.640 698 HD1 PHE 86 HD1 PHE 86 -12.133 13.650 4.131 699 HD2 PHE 86 HD2 PHE 86 -9.088 11.129 5.834 700 HE1 PHE 86 HE1 PHE 86 -13.358 11.638 3.352 701 HE2 PHE 86 HE2 PHE 86 -10.323 9.116 5.072 702 HZ PHE 86 HZ PHE 86 -12.469 9.366 3.838 703 H PHE 87 H PHE 87 -7.876 16.423 4.254 704 HA PHE 87 HA PHE 87 -7.424 17.791 6.804 705 HB2 PHE 87 HB1 PHE 87 -6.036 17.906 4.112 706 HB3 PHE 87 HB2 PHE 87 -5.527 18.845 5.525 707 HD1 PHE 87 HD1 PHE 87 -6.265 15.983 7.207 708 HD2 PHE 87 HD2 PHE 87 -3.595 17.354 4.120 709 HE1 PHE 87 HE1 PHE 87 -4.585 14.284 7.889 710 HE2 PHE 87 HE2 PHE 87 -1.936 15.636 4.780 711 HZ PHE 87 HZ PHE 87 -2.420 14.111 6.682 712 H LEU 88 H LEU 88 -9.251 18.508 3.948 713 HA LEU 88 HA LEU 88 -8.781 21.408 4.049 714 HB2 LEU 88 HB1 LEU 88 -9.996 19.468 2.110 715 HB3 LEU 88 HB2 LEU 88 -10.351 21.206 1.977 716 HG LEU 88 HG LEU 88 -8.604 20.647 0.459 717 HD11 LEU 88 HD11 LEU 88 -6.777 22.169 1.158 718 HD12 LEU 88 HD12 LEU 88 -8.373 22.832 1.560 719 HD13 LEU 88 HD13 LEU 88 -7.367 22.094 2.829 720 HD21 LEU 88 HD21 LEU 88 -6.403 19.737 1.109 721 HD22 LEU 88 HD22 LEU 88 -6.975 19.578 2.781 722 HD23 LEU 88 HD23 LEU 88 -7.719 18.609 1.487 723 H GLU 89 H GLU 89 -11.807 21.334 2.963 724 HA GLU 89 HA GLU 89 -13.272 21.092 5.518 725 HB2 GLU 89 HB1 GLU 89 -13.456 23.507 3.674 726 HB3 GLU 89 HB2 GLU 89 -14.403 23.233 5.155 727 HG2 GLU 89 HG1 GLU 89 -12.904 24.715 5.976 728 HG3 GLU 89 HG2 GLU 89 -11.969 23.229 6.244 729 H ASP 90 H ASP 90 -13.172 20.258 2.305 730 HA ASP 90 HA ASP 90 -15.504 20.108 1.018 731 HB2 ASP 90 HB1 ASP 90 -16.430 22.102 1.919 732 HB3 ASP 90 HB2 ASP 90 -14.951 23.029 1.583 733 H ASN 91 H ASN 91 -15.181 20.956 -1.405 734 HA ASN 91 HA ASN 91 -12.706 19.982 -2.415 735 HB2 ASN 91 HB1 ASN 91 -14.959 19.822 -3.461 736 HB3 ASN 91 HB2 ASN 91 -14.922 21.574 -3.760 737 HD21 ASN 91 HD21 ASN 91 -12.851 22.285 -5.078 738 HD22 ASN 91 HD22 ASN 91 -12.482 21.272 -6.466 739 H LYS 92 H LYS 92 -11.099 21.307 -1.321 740 HA LYS 92 HA LYS 92 -10.505 23.826 -2.783 741 HB2 LYS 92 HB1 LYS 92 -10.143 23.197 0.148 742 HB3 LYS 92 HB2 LYS 92 -9.227 24.485 -0.671 743 HG2 LYS 92 HG1 LYS 92 -10.962 25.683 0.226 744 HG3 LYS 92 HG2 LYS 92 -11.603 25.318 -1.393 745 HD2 LYS 92 HD1 LYS 92 -13.007 23.561 -0.513 746 HD3 LYS 92 HD2 LYS 92 -12.252 23.698 1.094 747 HE2 LYS 92 HE1 LYS 92 -13.808 25.928 -0.269 748 HE3 LYS 92 HE2 LYS 92 -14.501 24.804 0.920 749 HZ1 LYS 92 HZ1 LYS 92 -13.800 26.848 1.934 750 HZ2 LYS 92 HZ2 LYS 92 -12.899 25.592 2.506 751 HZ3 LYS 92 HZ3 LYS 92 -12.253 26.635 1.403 752 HA MET 1 HA MET 1 -14.163 -0.431 9.250 753 HB2 MET 1 HB1 MET 1 -12.287 -2.797 8.946 754 HB3 MET 1 HB2 MET 1 -12.730 -2.101 10.523 755 HG2 MET 1 HG1 MET 1 -14.075 -4.059 10.045 756 HG3 MET 1 HG2 MET 1 -15.079 -2.602 10.104 757 HE1 MET 1 HE1 MET 1 -16.477 -5.454 7.491 758 HE2 MET 1 HE2 MET 1 -15.281 -5.804 8.760 759 HE3 MET 1 HE3 MET 1 -16.707 -4.806 9.132 760 H GLU 2 H GLU 2 -12.097 0.176 11.142 761 HA GLU 2 HA GLU 2 -9.705 0.726 9.554 762 HB2 GLU 2 HB1 GLU 2 -8.455 0.715 11.642 763 HB3 GLU 2 HB2 GLU 2 -9.859 1.807 11.682 764 HG2 GLU 2 HG1 GLU 2 -11.020 0.443 13.219 765 HG3 GLU 2 HG2 GLU 2 -9.977 -0.960 12.902 766 H THR 3 H THR 3 -8.122 -0.613 9.004 767 HA THR 3 HA THR 3 -8.080 -3.464 9.827 768 HB THR 3 HB THR 3 -7.648 -4.125 7.502 769 HG1 THR 3 HG1 THR 3 -8.031 -2.551 5.881 770 HG21 THR 3 HG21 THR 3 -9.912 -3.806 6.559 771 HG22 THR 3 HG22 THR 3 -9.984 -4.214 8.287 772 HG23 THR 3 HG23 THR 3 -10.227 -2.532 7.759 773 HA PRO 4 HA PRO 4 -4.306 -2.650 11.057 774 HB2 PRO 4 HB1 PRO 4 -2.503 -4.653 10.358 775 HB3 PRO 4 HB2 PRO 4 -3.826 -4.794 11.561 776 HG2 PRO 4 HG1 PRO 4 -3.852 -5.628 8.665 777 HG3 PRO 4 HG2 PRO 4 -4.446 -6.547 10.087 778 HD2 PRO 4 HD1 PRO 4 -6.154 -5.154 8.493 779 HD3 PRO 4 HD2 PRO 4 -6.369 -5.148 10.270 780 H LEU 5 H LEU 5 -3.846 -3.077 7.496 781 HA LEU 5 HA LEU 5 -1.290 -1.750 7.541 782 HB2 LEU 5 HB1 LEU 5 -2.012 -3.249 5.735 783 HB3 LEU 5 HB2 LEU 5 -3.249 -2.063 5.257 784 HG LEU 5 HG LEU 5 -1.579 -0.489 4.563 785 HD11 LEU 5 HD11 LEU 5 0.859 -0.934 4.603 786 HD12 LEU 5 HD12 LEU 5 0.181 -0.876 6.243 787 HD13 LEU 5 HD13 LEU 5 0.561 -2.444 5.489 788 HD21 LEU 5 HD21 LEU 5 -0.525 -1.766 2.712 789 HD22 LEU 5 HD22 LEU 5 -0.869 -3.285 3.569 790 HD23 LEU 5 HD23 LEU 5 -2.209 -2.276 2.972 791 H GLU 6 H GLU 6 -4.631 -0.499 7.465 792 HA GLU 6 HA GLU 6 -4.004 2.142 6.634 793 HB2 GLU 6 HB1 GLU 6 -6.277 1.392 6.695 794 HB3 GLU 6 HB2 GLU 6 -6.183 1.069 8.444 795 HG2 GLU 6 HG1 GLU 6 -7.467 3.128 7.809 796 HG3 GLU 6 HG2 GLU 6 -6.142 3.393 8.962 797 H LYS 7 H LYS 7 -3.418 0.562 9.794 798 HA LYS 7 HA LYS 7 -3.118 3.018 11.223 799 HB2 LYS 7 HB1 LYS 7 -2.613 0.174 11.729 800 HB3 LYS 7 HB2 LYS 7 -1.545 1.287 12.618 801 HG2 LYS 7 HG1 LYS 7 -3.473 0.758 13.966 802 HG3 LYS 7 HG2 LYS 7 -3.536 2.468 13.478 803 HD2 LYS 7 HD1 LYS 7 -5.000 1.325 11.470 804 HD3 LYS 7 HD2 LYS 7 -5.380 0.229 12.820 805 HE2 LYS 7 HE1 LYS 7 -5.384 3.219 13.215 806 HE3 LYS 7 HE2 LYS 7 -6.795 2.405 12.504 807 HZ1 LYS 7 HZ1 LYS 7 -7.012 2.653 14.871 808 HZ2 LYS 7 HZ2 LYS 7 -6.930 1.057 14.470 809 HZ3 LYS 7 HZ3 LYS 7 -5.620 1.812 15.131 810 H ALA 8 H ALA 8 -0.936 1.513 8.897 811 HA ALA 8 HA ALA 8 1.292 3.204 9.504 812 HB1 ALA 8 HB1 ALA 8 1.982 2.692 7.196 813 HB2 ALA 8 HB2 ALA 8 1.443 1.231 8.056 814 HB3 ALA 8 HB3 ALA 8 0.373 2.009 6.866 815 H LEU 9 H LEU 9 -1.448 3.683 7.184 816 HA LEU 9 HA LEU 9 -0.571 6.275 6.355 817 HB2 LEU 9 HB1 LEU 9 -3.156 4.749 6.067 818 HB3 LEU 9 HB2 LEU 9 -2.958 6.405 5.445 819 HG LEU 9 HG LEU 9 -2.691 4.922 3.633 820 HD11 LEU 9 HD11 LEU 9 -0.396 5.389 2.844 821 HD12 LEU 9 HD12 LEU 9 -1.114 6.801 3.649 822 HD13 LEU 9 HD13 LEU 9 0.085 5.799 4.503 823 HD21 LEU 9 HD21 LEU 9 -1.062 3.072 3.541 824 HD22 LEU 9 HD22 LEU 9 -0.600 3.403 5.224 825 HD23 LEU 9 HD23 LEU 9 -2.246 2.842 4.846 826 H THR 10 H THR 10 -3.327 5.325 8.512 827 HA THR 10 HA THR 10 -4.197 7.753 9.466 828 HB THR 10 HB THR 10 -3.868 5.040 10.717 829 HG1 THR 10 HG1 THR 10 -6.159 5.247 10.589 830 HG21 THR 10 HG21 THR 10 -5.269 5.742 12.651 831 HG22 THR 10 HG22 THR 10 -3.713 6.593 12.646 832 HG23 THR 10 HG23 THR 10 -5.186 7.423 12.089 833 H THR 11 H THR 11 -1.317 5.957 10.738 834 HA THR 11 HA THR 11 -0.619 7.995 12.625 835 HB THR 11 HB THR 11 1.152 5.906 11.324 836 HG1 THR 11 HG1 THR 11 0.694 4.832 13.313 837 HG21 THR 11 HG21 THR 11 2.561 6.178 13.362 838 HG22 THR 11 HG22 THR 11 2.460 7.700 12.450 839 HG23 THR 11 HG23 THR 11 1.484 7.476 13.922 840 H MET 12 H MET 12 0.602 7.367 9.253 841 HA MET 12 HA MET 12 2.395 9.552 9.214 842 HB2 MET 12 HB1 MET 12 0.905 8.124 7.007 843 HB3 MET 12 HB2 MET 12 2.038 9.455 6.682 844 HG2 MET 12 HG1 MET 12 3.838 8.199 7.802 845 HG3 MET 12 HG2 MET 12 2.712 6.876 8.147 846 HE1 MET 12 HE1 MET 12 5.452 5.940 5.224 847 HE2 MET 12 HE2 MET 12 5.657 7.299 6.352 848 HE3 MET 12 HE3 MET 12 5.094 5.720 6.952 849 H VAL 13 H VAL 13 -1.143 9.554 8.397 850 HA VAL 13 HA VAL 13 -1.020 12.317 7.582 851 HB VAL 13 HB VAL 13 -3.454 12.331 7.597 852 HG11 VAL 13 HG11 VAL 13 -3.754 10.727 5.745 853 HG12 VAL 13 HG12 VAL 13 -2.207 11.592 5.625 854 HG13 VAL 13 HG13 VAL 13 -2.246 9.913 6.216 855 HG21 VAL 13 HG21 VAL 13 -4.796 10.302 7.965 856 HG22 VAL 13 HG22 VAL 13 -3.339 9.453 8.522 857 HG23 VAL 13 HG23 VAL 13 -3.977 10.836 9.446 858 H THR 14 H THR 14 -1.858 10.742 10.679 859 HA THR 14 HA THR 14 -2.764 13.085 12.044 860 HB THR 14 HB THR 14 -1.494 10.560 13.172 861 HG1 THR 14 HG1 THR 14 -3.713 9.975 13.364 862 HG21 THR 14 HG21 THR 14 -2.820 11.059 15.211 863 HG22 THR 14 HG22 THR 14 -1.662 12.361 14.867 864 HG23 THR 14 HG23 THR 14 -3.384 12.571 14.467 865 H THR 15 H THR 15 0.471 11.736 11.538 866 HA THR 15 HA THR 15 1.785 13.633 13.299 867 HB THR 15 HB THR 15 3.882 12.734 12.183 868 HG1 THR 15 HG1 THR 15 3.504 10.775 11.037 869 HG21 THR 15 HG21 THR 15 3.707 10.546 13.347 870 HG22 THR 15 HG22 THR 15 3.005 11.849 14.332 871 HG23 THR 15 HG23 THR 15 1.941 10.739 13.435 872 H PHE 16 H PHE 16 1.675 13.245 9.698 873 HA PHE 16 HA PHE 16 3.060 15.545 8.991 874 HB2 PHE 16 HB1 PHE 16 2.283 13.732 7.473 875 HB3 PHE 16 HB2 PHE 16 0.633 14.368 7.593 876 HD1 PHE 16 HD2 PHE 16 0.039 16.543 6.521 877 HD2 PHE 16 HD1 PHE 16 3.951 14.800 6.080 878 HE1 PHE 16 HE2 PHE 16 0.498 18.050 4.601 879 HE2 PHE 16 HE1 PHE 16 4.375 16.248 4.106 880 HZ PHE 16 HZ PHE 16 2.664 17.906 3.387 881 H HIS 17 H HIS 17 -0.494 15.382 9.790 882 HA HIS 17 HA HIS 17 -0.886 18.112 8.972 883 HB2 HIS 17 HB1 HIS 17 -2.587 16.260 8.975 884 HB3 HIS 17 HB2 HIS 17 -2.704 16.465 10.732 885 HD1 HIS 17 HD1 HIS 17 -4.049 18.597 11.583 886 HD2 HIS 17 HD2 HIS 17 -3.530 18.350 7.428 887 HE1 HIS 17 HE1 HIS 17 -5.497 20.429 10.565 888 HE2 HIS 17 HE2 HIS 17 -5.254 20.266 8.017 889 H LYS 18 H LYS 18 0.651 17.000 11.851 890 HA LYS 18 HA LYS 18 0.146 19.430 13.371 891 HB2 LYS 18 HB1 LYS 18 2.502 17.507 13.433 892 HB3 LYS 18 HB2 LYS 18 2.095 18.715 14.676 893 HG2 LYS 18 HG1 LYS 18 0.147 17.469 15.346 894 HG3 LYS 18 HG2 LYS 18 0.322 16.351 13.973 895 HD2 LYS 18 HD1 LYS 18 2.559 15.663 14.856 896 HD3 LYS 18 HD2 LYS 18 2.309 16.729 16.259 897 HE2 LYS 18 HE1 LYS 18 0.327 15.413 16.918 898 HE3 LYS 18 HE2 LYS 18 0.545 14.362 15.502 899 HZ1 LYS 18 HZ1 LYS 18 1.489 13.400 17.476 900 HZ2 LYS 18 HZ2 LYS 18 2.679 13.725 16.381 901 HZ3 LYS 18 HZ3 LYS 18 2.479 14.701 17.695 902 H TYR 19 H TYR 19 2.070 18.668 10.627 903 HA TYR 19 HA TYR 19 3.774 21.105 10.783 904 HB2 TYR 19 HB1 TYR 19 4.617 18.407 9.684 905 HB3 TYR 19 HB2 TYR 19 5.630 19.836 9.955 906 HD1 TYR 19 HD1 TYR 19 6.382 20.419 12.285 907 HD2 TYR 19 HD2 TYR 19 4.123 16.867 11.426 908 HE1 TYR 19 HE1 TYR 19 7.159 19.415 14.426 909 HE2 TYR 19 HE2 TYR 19 4.759 15.916 13.627 910 HH TYR 19 HH TYR 19 5.941 16.202 15.542 911 H SER 20 H SER 20 2.213 22.084 9.521 912 HA SER 20 HA SER 20 1.761 22.540 7.028 913 HB2 SER 20 HB1 SER 20 0.045 20.938 6.114 914 HB3 SER 20 HB2 SER 20 1.709 20.307 6.182 915 HG SER 20 HG SER 20 0.153 18.802 6.959 916 H GLY 21 H GLY 21 0.024 21.139 9.815 917 HA2 GLY 21 HA2 GLY 21 -1.788 22.963 9.216 918 H ARG 22 H ARG 22 0.393 23.982 10.320 919 HA ARG 22 HA ARG 22 -1.245 26.303 11.129 920 HB2 ARG 22 HB1 ARG 22 1.487 26.477 12.118 921 HB3 ARG 22 HB2 ARG 22 -0.062 26.842 12.915 922 HG2 ARG 22 HG1 ARG 22 0.897 25.298 14.314 923 HG3 ARG 22 HG2 ARG 22 -0.206 24.308 13.329 924 HD2 ARG 22 HD1 ARG 22 1.982 23.215 13.748 925 HD3 ARG 22 HD2 ARG 22 1.641 23.453 12.021 926 HE ARG 22 HE ARG 22 3.112 25.677 12.764 927 HH11 ARG 22 HH12 ARG 22 3.722 22.206 12.995 928 HH12 ARG 22 HH11 ARG 22 5.439 22.384 12.760 929 HH21 ARG 22 HH22 ARG 22 5.364 25.808 12.407 930 HH22 ARG 22 HH21 ARG 22 6.340 24.364 12.437 931 H GLU 23 H GLU 23 0.309 25.212 8.545 932 HA GLU 23 HA GLU 23 2.079 27.553 8.088 933 HB2 GLU 23 HB1 GLU 23 2.300 24.686 7.116 934 HB3 GLU 23 HB2 GLU 23 3.340 26.019 6.557 935 HG2 GLU 23 HG1 GLU 23 4.720 25.241 8.172 936 HG3 GLU 23 HG2 GLU 23 3.706 26.255 9.220 937 H GLY 24 H GLY 24 2.523 27.122 5.316 938 HA2 GLY 24 HA2 GLY 24 0.141 28.126 4.779 939 H SER 25 H SER 25 0.700 25.331 4.162 940 HA SER 25 HA SER 25 -2.143 25.408 3.537 941 HB2 SER 25 HB1 SER 25 -1.163 25.228 1.285 942 HB3 SER 25 HB2 SER 25 -0.207 23.820 1.805 943 HG SER 25 HG SER 25 -2.151 23.229 0.731 944 H LYS 26 H LYS 26 -3.254 23.701 4.471 945 HA LYS 26 HA LYS 26 -2.051 21.956 6.357 946 HB2 LYS 26 HB1 LYS 26 -4.723 21.942 4.909 947 HB3 LYS 26 HB2 LYS 26 -4.316 20.808 6.221 948 HG2 LYS 26 HG1 LYS 26 -3.876 22.749 7.724 949 HG3 LYS 26 HG2 LYS 26 -4.371 23.848 6.414 950 HD2 LYS 26 HD1 LYS 26 -6.192 21.701 7.545 951 HD3 LYS 26 HD2 LYS 26 -6.125 23.358 8.193 952 HE2 LYS 26 HE1 LYS 26 -6.854 24.284 6.082 953 HE3 LYS 26 HE2 LYS 26 -6.713 22.704 5.281 954 HZ1 LYS 26 HZ1 LYS 26 -8.980 23.222 5.836 955 HZ2 LYS 26 HZ2 LYS 26 -8.475 21.906 6.691 956 HZ3 LYS 26 HZ3 LYS 26 -8.604 23.374 7.434 957 H LEU 27 H LEU 27 -1.804 21.799 3.022 958 HA LEU 27 HA LEU 27 -1.376 18.884 2.870 959 HB2 LEU 27 HB1 LEU 27 -1.581 21.105 0.801 960 HB3 LEU 27 HB2 LEU 27 -1.198 19.412 0.404 961 HG LEU 27 HG LEU 27 -3.770 20.256 1.779 962 HD11 LEU 27 HD11 LEU 27 -4.813 20.082 -0.467 963 HD12 LEU 27 HD12 LEU 27 -3.572 21.356 -0.436 964 HD13 LEU 27 HD13 LEU 27 -3.213 19.784 -1.187 965 HD21 LEU 27 HD21 LEU 27 -4.575 18.050 0.977 966 HD22 LEU 27 HD22 LEU 27 -2.980 17.731 0.257 967 HD23 LEU 27 HD23 LEU 27 -3.149 17.870 2.025 968 H THR 28 H THR 28 0.597 21.724 3.416 969 HA THR 28 HA THR 28 2.940 20.251 2.435 970 HB THR 28 HB THR 28 3.876 22.138 1.223 971 HG1 THR 28 HG1 THR 28 2.507 23.892 0.680 972 HG21 THR 28 HG21 THR 28 2.455 22.092 -0.803 973 HG22 THR 28 HG22 THR 28 2.623 20.479 -0.084 974 HG23 THR 28 HG23 THR 28 1.128 21.412 0.159 975 H LEU 29 H LEU 29 5.013 21.072 3.023 976 HA LEU 29 HA LEU 29 5.220 23.098 5.116 977 HB2 LEU 29 HB1 LEU 29 6.141 21.755 6.812 978 HB3 LEU 29 HB2 LEU 29 4.646 20.945 6.289 979 HG LEU 29 HG LEU 29 7.436 20.107 5.452 980 HD11 LEU 29 HD11 LEU 29 7.175 18.225 7.057 981 HD12 LEU 29 HD12 LEU 29 7.117 19.795 7.888 982 HD13 LEU 29 HD13 LEU 29 5.612 18.895 7.576 983 HD21 LEU 29 HD21 LEU 29 6.354 17.980 4.768 984 HD22 LEU 29 HD22 LEU 29 4.778 18.637 5.254 985 HD23 LEU 29 HD23 LEU 29 5.667 19.365 3.895 986 H SER 30 H SER 30 7.331 23.916 5.398 987 HA SER 30 HA SER 30 9.169 23.704 3.214 988 HB2 SER 30 HB1 SER 30 9.561 24.785 6.040 989 HB3 SER 30 HB2 SER 30 10.613 25.118 4.644 990 HG SER 30 HG SER 30 9.074 26.781 5.012 991 H ARG 31 H ARG 31 11.290 22.721 3.081 992 HA ARG 31 HA ARG 31 11.489 20.189 4.225 993 HB2 ARG 31 HB1 ARG 31 14.140 21.201 3.666 994 HB3 ARG 31 HB2 ARG 31 13.246 19.822 2.981 995 HG2 ARG 31 HG1 ARG 31 12.404 22.349 1.815 996 HG3 ARG 31 HG2 ARG 31 14.154 22.071 1.643 997 HD2 ARG 31 HD1 ARG 31 12.094 19.974 0.889 998 HD3 ARG 31 HD2 ARG 31 12.650 21.218 -0.251 999 HE ARG 31 HE ARG 31 14.978 20.120 0.738 1000 HH11 ARG 31 HH12 ARG 31 12.201 18.709 -0.963 1001 HH12 ARG 31 HH11 ARG 31 13.161 17.420 -1.642 1002 HH21 ARG 31 HH22 ARG 31 16.131 18.460 -0.134 1003 HH22 ARG 31 HH21 ARG 31 15.361 17.282 -1.176 1004 H LYS 32 H LYS 32 12.659 23.214 5.718 1005 HA LYS 32 HA LYS 32 14.304 22.021 7.712 1006 HB2 LYS 32 HB1 LYS 32 14.010 24.506 7.075 1007 HB3 LYS 32 HB2 LYS 32 12.590 24.482 8.150 1008 HG2 LYS 32 HG1 LYS 32 14.230 25.194 9.623 1009 HG3 LYS 32 HG2 LYS 32 14.302 23.433 9.876 1010 HD2 LYS 32 HD1 LYS 32 16.561 23.966 9.654 1011 HD3 LYS 32 HD2 LYS 32 16.139 23.524 7.983 1012 HE2 LYS 32 HE1 LYS 32 15.597 26.059 7.687 1013 HE3 LYS 32 HE2 LYS 32 16.542 26.281 9.177 1014 HZ1 LYS 32 HZ1 LYS 32 17.886 26.555 7.221 1015 HZ2 LYS 32 HZ2 LYS 32 18.393 25.243 8.079 1016 HZ3 LYS 32 HZ3 LYS 32 17.516 25.036 6.698 1017 H GLU 33 H GLU 33 10.780 22.732 7.734 1018 HA GLU 33 HA GLU 33 10.228 21.840 10.375 1019 HB2 GLU 33 HB1 GLU 33 8.831 23.254 8.744 1020 HB3 GLU 33 HB2 GLU 33 8.359 21.714 7.987 1021 HG2 GLU 33 HG1 GLU 33 6.610 22.145 9.459 1022 HG3 GLU 33 HG2 GLU 33 7.633 21.003 10.358 1023 H LEU 34 H LEU 34 10.099 20.079 7.208 1024 HA LEU 34 HA LEU 34 9.122 17.614 8.117 1025 HB2 LEU 34 HB1 LEU 34 9.223 18.093 5.791 1026 HB3 LEU 34 HB2 LEU 34 10.971 18.421 5.857 1027 HG LEU 34 HG LEU 34 11.413 16.041 6.259 1028 HD11 LEU 34 HD11 LEU 34 9.648 14.325 5.985 1029 HD12 LEU 34 HD12 LEU 34 9.322 15.375 7.379 1030 HD13 LEU 34 HD13 LEU 34 8.430 15.611 5.858 1031 HD21 LEU 34 HD21 LEU 34 10.797 15.209 4.005 1032 HD22 LEU 34 HD22 LEU 34 9.604 16.519 3.853 1033 HD23 LEU 34 HD23 LEU 34 11.341 16.900 3.942 1034 H LYS 35 H LYS 35 12.590 18.692 7.952 1035 HA LYS 35 HA LYS 35 13.503 16.170 8.971 1036 HB2 LYS 35 HB1 LYS 35 15.601 16.926 8.738 1037 HB3 LYS 35 HB2 LYS 35 14.750 18.039 7.638 1038 HG2 LYS 35 HG1 LYS 35 14.960 19.856 9.138 1039 HG3 LYS 35 HG2 LYS 35 15.395 18.795 10.498 1040 HD2 LYS 35 HD1 LYS 35 17.111 19.024 8.007 1041 HD3 LYS 35 HD2 LYS 35 17.304 20.117 9.399 1042 HE2 LYS 35 HE1 LYS 35 17.962 18.352 10.839 1043 HE3 LYS 35 HE2 LYS 35 17.345 17.103 9.736 1044 HZ1 LYS 35 HZ1 LYS 35 19.732 17.226 9.692 1045 HZ2 LYS 35 HZ2 LYS 35 19.115 17.654 8.225 1046 HZ3 LYS 35 HZ3 LYS 35 19.689 18.813 9.249 1047 H GLU 36 H GLU 36 12.458 19.139 10.579 1048 HA GLU 36 HA GLU 36 13.285 18.404 13.219 1049 HB2 GLU 36 HB1 GLU 36 12.587 20.703 12.311 1050 HB3 GLU 36 HB2 GLU 36 10.906 20.138 12.469 1051 HG2 GLU 36 HG1 GLU 36 11.509 21.370 14.470 1052 HG3 GLU 36 HG2 GLU 36 11.344 19.649 14.880 1053 H LEU 37 H LEU 37 10.256 17.886 11.393 1054 HA LEU 37 HA LEU 37 8.680 16.607 13.321 1055 HB2 LEU 37 HB1 LEU 37 7.505 17.144 11.503 1056 HB3 LEU 37 HB2 LEU 37 8.881 16.891 10.402 1057 HG LEU 37 HG LEU 37 8.384 14.503 10.335 1058 HD11 LEU 37 HD11 LEU 37 6.221 13.605 11.125 1059 HD12 LEU 37 HD12 LEU 37 7.227 14.159 12.476 1060 HD13 LEU 37 HD13 LEU 37 5.870 15.159 11.904 1061 HD21 LEU 37 HD21 LEU 37 6.333 14.734 8.945 1062 HD22 LEU 37 HD22 LEU 37 6.012 16.317 9.689 1063 HD23 LEU 37 HD23 LEU 37 7.452 16.087 8.669 1064 H ILE 38 H ILE 38 11.210 15.147 11.213 1065 HA ILE 38 HA ILE 38 10.899 12.508 12.322 1066 HB ILE 38 HB ILE 38 13.067 13.841 10.686 1067 HG12 ILE 38 HG13 ILE 38 10.985 11.735 9.965 1068 HG13 ILE 38 HG12 ILE 38 10.757 13.485 9.724 1069 HG21 ILE 38 HG21 ILE 38 13.986 11.584 10.246 1070 HG22 ILE 38 HG22 ILE 38 14.102 12.005 11.970 1071 HG23 ILE 38 HG23 ILE 38 12.833 10.891 11.409 1072 HD11 ILE 38 HD11 ILE 38 11.442 12.378 7.623 1073 HD12 ILE 38 HD12 ILE 38 12.678 13.523 8.184 1074 HD13 ILE 38 HD13 ILE 38 12.908 11.775 8.426 1075 H LYS 39 H LYS 39 12.899 15.282 13.342 1076 HA LYS 39 HA LYS 39 14.059 13.855 15.581 1077 HB2 LYS 39 HB1 LYS 39 14.157 16.529 14.355 1078 HB3 LYS 39 HB2 LYS 39 14.311 16.542 16.128 1079 HG2 LYS 39 HG1 LYS 39 16.476 16.420 14.827 1080 HG3 LYS 39 HG2 LYS 39 16.242 15.172 16.074 1081 HD2 LYS 39 HD1 LYS 39 15.744 13.504 14.398 1082 HD3 LYS 39 HD2 LYS 39 15.741 14.732 13.110 1083 HE2 LYS 39 HE1 LYS 39 18.093 15.121 13.344 1084 HE3 LYS 39 HE2 LYS 39 18.162 14.212 14.870 1085 HZ1 LYS 39 HZ1 LYS 39 19.022 12.946 13.040 1086 HZ2 LYS 39 HZ2 LYS 39 17.664 12.229 13.638 1087 HZ3 LYS 39 HZ3 LYS 39 17.597 13.073 12.221 1088 H LYS 40 H LYS 40 10.860 14.924 15.170 1089 HA LYS 40 HA LYS 40 10.472 15.126 18.109 1090 HB2 LYS 40 HB1 LYS 40 8.662 15.687 15.753 1091 HB3 LYS 40 HB2 LYS 40 8.141 15.751 17.454 1092 HG2 LYS 40 HG1 LYS 40 9.319 17.765 15.806 1093 HG3 LYS 40 HG2 LYS 40 8.582 17.888 17.423 1094 HD2 LYS 40 HD1 LYS 40 10.909 17.208 18.314 1095 HD3 LYS 40 HD2 LYS 40 11.492 17.623 16.684 1096 HE2 LYS 40 HE1 LYS 40 10.359 19.844 16.885 1097 HE3 LYS 40 HE2 LYS 40 9.891 19.425 18.548 1098 HZ1 LYS 40 HZ1 LYS 40 11.871 20.756 18.491 1099 HZ2 LYS 40 HZ2 LYS 40 12.211 19.259 19.091 1100 HZ3 LYS 40 HZ3 LYS 40 12.646 19.648 17.548 1101 H GLU 41 H GLU 41 9.384 13.280 15.232 1102 HA GLU 41 HA GLU 41 7.716 11.574 16.981 1103 HB2 GLU 41 HB1 GLU 41 7.716 11.767 13.963 1104 HB3 GLU 41 HB2 GLU 41 6.485 11.015 15.005 1105 HG2 GLU 41 HG1 GLU 41 7.045 13.976 15.034 1106 HG3 GLU 41 HG2 GLU 41 5.908 13.224 13.894 1107 H LEU 42 H LEU 42 10.726 11.413 15.365 1108 HA LEU 42 HA LEU 42 10.760 8.458 15.554 1109 HB2 LEU 42 HB1 LEU 42 10.915 9.894 13.185 1110 HB3 LEU 42 HB2 LEU 42 12.627 9.614 13.586 1111 HG LEU 42 HG LEU 42 11.799 7.173 14.113 1112 HD11 LEU 42 HD11 LEU 42 9.933 6.423 12.671 1113 HD12 LEU 42 HD12 LEU 42 9.398 7.646 13.845 1114 HD13 LEU 42 HD13 LEU 42 9.671 8.101 12.145 1115 HD21 LEU 42 HD21 LEU 42 12.265 6.457 11.796 1116 HD22 LEU 42 HD22 LEU 42 12.056 8.133 11.244 1117 HD23 LEU 42 HD23 LEU 42 13.400 7.716 12.332 1118 H CYS 43 H CYS 43 13.342 7.922 15.249 1119 HA CYS 43 HA CYS 43 15.281 9.539 16.529 1120 HB2 CYS 43 HB1 CYS 43 13.728 8.830 18.495 1121 HB3 CYS 43 HB2 CYS 43 14.559 7.263 18.352 1122 HG CYS 43 HG CYS 43 15.667 8.687 20.248 1123 H LEU 44 H LEU 44 16.275 6.668 17.569 1124 HA LEU 44 HA LEU 44 16.981 4.683 16.899 1125 HB2 LEU 44 HB1 LEU 44 15.710 5.351 14.263 1126 HB3 LEU 44 HB2 LEU 44 16.603 3.838 14.554 1127 HG LEU 44 HG LEU 44 15.031 3.680 16.668 1128 HD11 LEU 44 HD11 LEU 44 12.718 4.468 16.241 1129 HD12 LEU 44 HD12 LEU 44 13.848 5.829 16.395 1130 HD13 LEU 44 HD13 LEU 44 13.283 5.315 14.787 1131 HD21 LEU 44 HD21 LEU 44 13.496 2.330 15.264 1132 HD22 LEU 44 HD22 LEU 44 14.103 3.157 13.810 1133 HD23 LEU 44 HD23 LEU 44 15.188 2.113 14.757 1134 H GLY 45 H GLY 45 18.145 7.483 15.980 1135 HA2 GLY 45 HA2 GLY 45 20.302 6.221 15.119 1136 H GLU 46 H GLU 46 19.720 7.025 17.886 1137 HA GLU 46 HA GLU 46 22.387 6.938 18.908 1138 HB2 GLU 46 HB1 GLU 46 21.402 6.480 21.008 1139 HB3 GLU 46 HB2 GLU 46 20.336 7.620 20.155 1140 HG2 GLU 46 HG1 GLU 46 19.878 4.664 20.645 1141 HG3 GLU 46 HG2 GLU 46 18.954 6.035 21.298 1142 H MET 47 H MET 47 20.268 4.327 17.675 1143 HA MET 47 HA MET 47 22.349 2.347 18.147 1144 HB2 MET 47 HB1 MET 47 19.956 2.361 16.293 1145 HB3 MET 47 HB2 MET 47 21.065 0.986 16.506 1146 HG2 MET 47 HG1 MET 47 20.442 0.794 18.849 1147 HG3 MET 47 HG2 MET 47 19.431 2.245 18.736 1148 HE1 MET 47 HE1 MET 47 16.350 1.337 16.959 1149 HE2 MET 47 HE2 MET 47 17.150 2.345 18.196 1150 HE3 MET 47 HE3 MET 47 17.747 2.356 16.519 1151 H LYS 48 H LYS 48 21.184 4.124 15.206 1152 HA LYS 48 HA LYS 48 23.774 3.494 13.893 1153 HB2 LYS 48 HB1 LYS 48 20.920 3.381 13.029 1154 HB3 LYS 48 HB2 LYS 48 22.119 3.874 11.810 1155 HG2 LYS 48 HG1 LYS 48 22.078 1.570 11.575 1156 HG3 LYS 48 HG2 LYS 48 23.484 1.847 12.631 1157 HD2 LYS 48 HD1 LYS 48 22.347 -0.127 13.320 1158 HD3 LYS 48 HD2 LYS 48 22.156 1.132 14.562 1159 HE2 LYS 48 HE1 LYS 48 20.022 0.437 14.610 1160 HE3 LYS 48 HE2 LYS 48 19.842 1.441 13.156 1161 HZ1 LYS 48 HZ1 LYS 48 18.963 -0.759 12.829 1162 HZ2 LYS 48 HZ2 LYS 48 20.252 -0.510 11.831 1163 HZ3 LYS 48 HZ3 LYS 48 20.420 -1.444 13.182 1164 H GLU 49 H GLU 49 25.034 5.162 14.071 1165 HA GLU 49 HA GLU 49 24.106 7.896 14.310 1166 HB2 GLU 49 HB1 GLU 49 26.156 6.423 15.332 1167 HB3 GLU 49 HB2 GLU 49 27.004 7.301 14.037 1168 HG2 GLU 49 HG1 GLU 49 25.384 8.611 16.246 1169 HG3 GLU 49 HG2 GLU 49 27.150 8.411 16.260 1170 H SER 50 H SER 50 24.653 9.680 13.025 1171 HA SER 50 HA SER 50 25.438 11.032 11.477 1172 HB2 SER 50 HB1 SER 50 27.363 8.782 11.285 1173 HB3 SER 50 HB2 SER 50 27.371 9.972 9.962 1174 HG SER 50 HG SER 50 28.786 10.540 11.679 1175 H SER 51 H SER 51 25.288 7.854 9.701 1176 HA SER 51 HA SER 51 24.620 9.226 7.256 1177 HB2 SER 51 HB1 SER 51 25.860 7.060 7.359 1178 HB3 SER 51 HB2 SER 51 24.347 6.263 7.855 1179 HG SER 51 HG SER 51 24.690 6.185 5.582 1180 H ILE 52 H ILE 52 22.666 8.619 9.909 1181 HA ILE 52 HA ILE 52 20.157 8.458 8.452 1182 HB ILE 52 HB ILE 52 19.113 8.855 10.625 1183 HG12 ILE 52 HG13 ILE 52 20.838 8.654 12.652 1184 HG13 ILE 52 HG12 ILE 52 21.855 9.590 11.529 1185 HG21 ILE 52 HG21 ILE 52 19.871 6.753 11.676 1186 HG22 ILE 52 HG22 ILE 52 19.763 6.600 9.908 1187 HG23 ILE 52 HG23 ILE 52 21.350 6.796 10.688 1188 HD11 ILE 52 HD11 ILE 52 20.580 11.091 13.042 1189 HD12 ILE 52 HD12 ILE 52 20.079 11.306 11.351 1190 HD13 ILE 52 HD13 ILE 52 19.061 10.369 12.471 1191 H ASP 53 H ASP 53 22.358 11.040 9.290 1192 HA ASP 53 HA ASP 53 20.202 12.995 8.799 1193 HB2 ASP 53 HB1 ASP 53 21.907 12.902 10.968 1194 HB3 ASP 53 HB2 ASP 53 22.602 14.182 9.948 1195 H ASP 54 H ASP 54 22.881 11.673 7.200 1196 HA ASP 54 HA ASP 54 23.698 13.745 5.479 1197 HB2 ASP 54 HB1 ASP 54 24.738 11.587 5.388 1198 HB3 ASP 54 HB2 ASP 54 23.190 10.777 5.068 1199 H LEU 55 H LEU 55 20.959 11.450 4.950 1200 HA LEU 55 HA LEU 55 19.744 12.699 2.750 1201 HB2 LEU 55 HB1 LEU 55 18.457 11.243 5.090 1202 HB3 LEU 55 HB2 LEU 55 17.685 11.564 3.519 1203 HG LEU 55 HG LEU 55 20.127 9.821 3.965 1204 HD11 LEU 55 HD11 LEU 55 18.592 7.942 3.489 1205 HD12 LEU 55 HD12 LEU 55 18.073 8.855 4.926 1206 HD13 LEU 55 HD13 LEU 55 17.232 9.084 3.375 1207 HD21 LEU 55 HD21 LEU 55 19.806 9.120 1.617 1208 HD22 LEU 55 HD22 LEU 55 18.465 10.275 1.459 1209 HD23 LEU 55 HD23 LEU 55 20.120 10.866 1.737 1210 H MET 56 H MET 56 19.335 13.322 6.232 1211 HA MET 56 HA MET 56 17.277 15.295 6.041 1212 HB2 MET 56 HB1 MET 56 19.369 14.754 8.175 1213 HB3 MET 56 HB2 MET 56 17.889 15.720 8.389 1214 HG2 MET 56 HG1 MET 56 17.596 12.887 7.478 1215 HG3 MET 56 HG2 MET 56 18.062 13.174 9.163 1216 HE1 MET 56 HE1 MET 56 15.116 14.689 10.871 1217 HE2 MET 56 HE2 MET 56 16.539 13.624 10.989 1218 HE3 MET 56 HE3 MET 56 16.734 15.314 10.467 1219 H LYS 57 H LYS 57 20.768 15.510 5.593 1220 HA LYS 57 HA LYS 57 20.840 18.410 5.743 1221 HB2 LYS 57 HB1 LYS 57 22.730 16.317 5.789 1222 HB3 LYS 57 HB2 LYS 57 23.067 17.243 4.306 1223 HG2 LYS 57 HG1 LYS 57 22.899 18.349 7.131 1224 HG3 LYS 57 HG2 LYS 57 24.381 18.106 6.176 1225 HD2 LYS 57 HD1 LYS 57 23.589 19.792 4.538 1226 HD3 LYS 57 HD2 LYS 57 22.125 20.048 5.518 1227 HE2 LYS 57 HE1 LYS 57 23.814 20.473 7.479 1228 HE3 LYS 57 HE2 LYS 57 25.007 20.711 6.183 1229 HZ1 LYS 57 HZ1 LYS 57 24.008 22.775 6.862 1230 HZ2 LYS 57 HZ2 LYS 57 23.607 22.440 5.299 1231 HZ3 LYS 57 HZ3 LYS 57 22.500 22.219 6.502 1232 H SER 58 H SER 58 20.308 16.025 3.180 1233 HA SER 58 HA SER 58 20.349 17.874 0.985 1234 HB2 SER 58 HB1 SER 58 20.442 15.314 0.938 1235 HB3 SER 58 HB2 SER 58 18.676 15.354 1.160 1236 HG SER 58 HG SER 58 19.292 15.314 -1.052 1237 H LEU 59 H LEU 59 17.794 17.042 3.355 1238 HA LEU 59 HA LEU 59 15.746 18.680 2.183 1239 HB2 LEU 59 HB1 LEU 59 16.278 17.907 5.074 1240 HB3 LEU 59 HB2 LEU 59 14.781 18.655 4.467 1241 HG LEU 59 HG LEU 59 15.847 15.899 3.768 1242 HD11 LEU 59 HD11 LEU 59 13.836 15.139 5.000 1243 HD12 LEU 59 HD12 LEU 59 14.892 16.128 6.037 1244 HD13 LEU 59 HD13 LEU 59 13.410 16.832 5.348 1245 HD21 LEU 59 HD21 LEU 59 13.735 15.565 2.523 1246 HD22 LEU 59 HD22 LEU 59 13.288 17.257 2.834 1247 HD23 LEU 59 HD23 LEU 59 14.701 16.882 1.820 1248 H ASP 60 H ASP 60 18.093 19.317 4.796 1249 HA ASP 60 HA ASP 60 17.455 22.063 5.168 1250 HB2 ASP 60 HB1 ASP 60 18.412 20.560 6.859 1251 HB3 ASP 60 HB2 ASP 60 19.914 20.450 5.916 1252 H LYS 61 H LYS 61 19.279 20.636 2.628 1253 HA LYS 61 HA LYS 61 21.372 22.380 2.146 1254 HB2 LYS 61 HB1 LYS 61 20.229 20.203 0.937 1255 HB3 LYS 61 HB2 LYS 61 19.845 21.490 -0.233 1256 HG2 LYS 61 HG1 LYS 61 22.577 20.581 0.712 1257 HG3 LYS 61 HG2 LYS 61 21.888 20.466 -0.925 1258 HD2 LYS 61 HD1 LYS 61 22.602 23.051 0.503 1259 HD3 LYS 61 HD2 LYS 61 23.602 22.240 -0.726 1260 HE2 LYS 61 HE1 LYS 61 22.211 22.847 -2.464 1261 HE3 LYS 61 HE2 LYS 61 20.759 22.872 -1.440 1262 HZ1 LYS 61 HZ1 LYS 61 21.399 25.069 -2.126 1263 HZ2 LYS 61 HZ2 LYS 61 21.540 24.921 -0.489 1264 HZ3 LYS 61 HZ3 LYS 61 22.889 24.901 -1.441 1265 H ASN 62 H ASN 62 17.966 22.791 1.043 1266 HA ASN 62 HA ASN 62 18.532 25.704 0.708 1267 HB2 ASN 62 HB1 ASN 62 16.363 24.005 -0.557 1268 HB3 ASN 62 HB2 ASN 62 16.544 25.763 -0.749 1269 HD21 ASN 62 HD21 ASN 62 16.422 24.042 -2.952 1270 HD22 ASN 62 HD22 ASN 62 17.985 24.017 -3.751 1271 H SER 63 H SER 63 15.962 23.409 1.739 1272 HA SER 63 HA SER 63 15.070 23.051 3.742 1273 HB2 SER 63 HB1 SER 63 15.711 24.076 5.729 1274 HB3 SER 63 HB2 SER 63 17.155 24.088 4.687 1275 HG SER 63 HG SER 63 16.846 26.069 5.800 1276 H ASP 64 H ASP 64 14.243 25.524 1.841 1277 HA ASP 64 HA ASP 64 12.212 26.913 3.471 1278 HB2 ASP 64 HB1 ASP 64 12.351 28.490 1.536 1279 HB3 ASP 64 HB2 ASP 64 13.951 28.182 2.244 1280 H GLN 65 H GLN 65 12.711 25.055 0.576 1281 HA GLN 65 HA GLN 65 10.352 25.333 -0.866 1282 HB2 GLN 65 HB1 GLN 65 12.546 23.275 -0.562 1283 HB3 GLN 65 HB2 GLN 65 11.219 23.024 -1.720 1284 HG2 GLN 65 HG1 GLN 65 11.881 25.098 -2.900 1285 HG3 GLN 65 HG2 GLN 65 13.231 25.299 -1.761 1286 HE21 GLN 65 HE12 GLN 65 11.818 22.958 -4.106 1287 HE22 GLN 65 HE22 GLN 65 13.338 22.204 -4.529 1288 H GLU 66 H GLU 66 8.659 23.857 -1.318 1289 HA GLU 66 HA GLU 66 7.650 22.727 1.185 1290 HB2 GLU 66 HB1 GLU 66 6.358 23.387 -1.480 1291 HB3 GLU 66 HB2 GLU 66 5.488 22.627 -0.125 1292 HG2 GLU 66 HG1 GLU 66 5.835 24.566 1.275 1293 HG3 GLU 66 HG2 GLU 66 6.932 25.297 0.084 1294 H ILE 67 H ILE 67 7.316 20.672 1.635 1295 HA ILE 67 HA ILE 67 7.406 18.594 -0.476 1296 HB ILE 67 HB ILE 67 7.429 18.474 2.557 1297 HG12 ILE 67 HG13 ILE 67 9.649 17.129 1.696 1298 HG13 ILE 67 HG12 ILE 67 9.490 18.366 0.427 1299 HG21 ILE 67 HG21 ILE 67 7.677 16.017 2.365 1300 HG22 ILE 67 HG22 ILE 67 6.123 16.569 1.699 1301 HG23 ILE 67 HG23 ILE 67 7.458 16.136 0.605 1302 HD11 ILE 67 HD11 ILE 67 10.952 19.155 2.264 1303 HD12 ILE 67 HD12 ILE 67 9.471 20.133 2.152 1304 HD13 ILE 67 HD13 ILE 67 9.628 18.896 3.422 1305 H ASP 68 H ASP 68 5.706 17.385 -0.992 1306 HA ASP 68 HA ASP 68 2.992 18.156 -0.069 1307 HB2 ASP 68 HB1 ASP 68 2.300 17.679 -2.361 1308 HB3 ASP 68 HB2 ASP 68 3.629 18.859 -2.348 1309 H PHE 69 H PHE 69 4.356 16.183 1.369 1310 HA PHE 69 HA PHE 69 3.927 14.260 2.440 1311 HB2 PHE 69 HB1 PHE 69 1.492 14.809 1.525 1312 HB3 PHE 69 HB2 PHE 69 1.780 13.350 0.564 1313 HD1 PHE 69 HD1 PHE 69 2.394 11.158 1.867 1314 HD2 PHE 69 HD2 PHE 69 0.731 14.663 3.731 1315 HE1 PHE 69 HE1 PHE 69 1.592 9.768 3.761 1316 HE2 PHE 69 HE2 PHE 69 -0.066 13.274 5.625 1317 HZ PHE 69 HZ PHE 69 0.358 10.824 5.645 1318 H LYS 70 H LYS 70 4.608 14.192 -0.977 1319 HA LYS 70 HA LYS 70 4.903 11.325 -1.278 1320 HB2 LYS 70 HB1 LYS 70 5.492 13.822 -2.861 1321 HB3 LYS 70 HB2 LYS 70 6.168 12.264 -3.393 1322 HG2 LYS 70 HG1 LYS 70 4.129 11.432 -4.018 1323 HG3 LYS 70 HG2 LYS 70 3.256 12.314 -2.741 1324 HD2 LYS 70 HD1 LYS 70 2.720 13.117 -5.034 1325 HD3 LYS 70 HD2 LYS 70 3.401 14.379 -3.980 1326 HE2 LYS 70 HE1 LYS 70 5.383 12.946 -5.657 1327 HE3 LYS 70 HE2 LYS 70 4.191 13.909 -6.556 1328 HZ1 LYS 70 HZ1 LYS 70 6.123 15.195 -5.983 1329 HZ2 LYS 70 HZ2 LYS 70 4.795 15.796 -5.211 1330 HZ3 LYS 70 HZ3 LYS 70 5.901 14.902 -4.376 1331 H GLU 71 H GLU 71 7.267 14.064 -1.172 1332 HA GLU 71 HA GLU 71 9.551 12.450 -0.804 1333 HB2 GLU 71 HB1 GLU 71 9.215 15.182 0.443 1334 HB3 GLU 71 HB2 GLU 71 10.724 14.355 -0.014 1335 HG2 GLU 71 HG1 GLU 71 9.739 14.426 -2.433 1336 HG3 GLU 71 HG2 GLU 71 8.672 15.688 -1.780 1337 H TYR 72 H TYR 72 7.036 13.475 1.535 1338 HA TYR 72 HA TYR 72 8.517 12.829 3.892 1339 HB2 TYR 72 HB1 TYR 72 6.553 14.199 3.981 1340 HB3 TYR 72 HB2 TYR 72 5.552 12.905 3.301 1341 HD1 TYR 72 HD2 TYR 72 8.000 12.991 6.160 1342 HD2 TYR 72 HD1 TYR 72 3.984 12.173 4.847 1343 HE1 TYR 72 HE2 TYR 72 7.333 12.544 8.505 1344 HE2 TYR 72 HE1 TYR 72 3.319 11.667 7.192 1345 HH TYR 72 HH TYR 72 5.644 12.036 9.930 1346 H SER 73 H SER 73 6.297 10.798 1.897 1347 HA SER 73 HA SER 73 6.696 8.502 3.592 1348 HB2 SER 73 HB1 SER 73 5.421 7.320 1.815 1349 HB3 SER 73 HB2 SER 73 4.616 8.774 2.454 1350 HG SER 73 HG SER 73 4.524 8.639 0.167 1351 H VAL 74 H VAL 74 8.123 9.372 0.331 1352 HA VAL 74 HA VAL 74 9.615 6.921 0.306 1353 HB VAL 74 HB VAL 74 10.985 7.775 -1.455 1354 HG11 VAL 74 HG11 VAL 74 9.231 8.118 -3.145 1355 HG12 VAL 74 HG12 VAL 74 8.785 6.859 -1.972 1356 HG13 VAL 74 HG13 VAL 74 8.067 8.483 -1.852 1357 HG21 VAL 74 HG21 VAL 74 10.724 9.993 -2.482 1358 HG22 VAL 74 HG22 VAL 74 9.615 10.455 -1.177 1359 HG23 VAL 74 HG23 VAL 74 11.321 10.095 -0.814 1360 H PHE 75 H PHE 75 10.294 10.079 1.780 1361 HA PHE 75 HA PHE 75 13.076 9.447 2.295 1362 HB2 PHE 75 HB1 PHE 75 12.120 11.751 2.104 1363 HB3 PHE 75 HB2 PHE 75 11.295 11.483 3.649 1364 HD1 PHE 75 HD2 PHE 75 12.739 11.035 5.738 1365 HD2 PHE 75 HD1 PHE 75 14.356 12.439 2.001 1366 HE1 PHE 75 HE2 PHE 75 14.682 12.009 6.938 1367 HE2 PHE 75 HE1 PHE 75 16.254 13.483 3.213 1368 HZ PHE 75 HZ PHE 75 16.422 13.247 5.678 1369 H LEU 76 H LEU 76 10.018 9.264 4.317 1370 HA LEU 76 HA LEU 76 11.315 8.119 6.572 1371 HB2 LEU 76 HB1 LEU 76 8.527 7.810 5.448 1372 HB3 LEU 76 HB2 LEU 76 9.051 6.978 6.931 1373 HG LEU 76 HG LEU 76 9.106 9.991 6.547 1374 HD11 LEU 76 HD11 LEU 76 7.046 9.959 7.929 1375 HD12 LEU 76 HD12 LEU 76 6.816 9.054 6.412 1376 HD13 LEU 76 HD13 LEU 76 7.078 8.179 7.938 1377 HD21 LEU 76 HD21 LEU 76 9.325 10.065 9.008 1378 HD22 LEU 76 HD22 LEU 76 9.369 8.287 9.055 1379 HD23 LEU 76 HD23 LEU 76 10.682 9.190 8.263 1380 H THR 77 H THR 77 10.025 6.568 3.604 1381 HA THR 77 HA THR 77 10.627 3.870 4.238 1382 HB THR 77 HB THR 77 10.493 5.353 1.590 1383 HG1 THR 77 HG1 THR 77 8.414 4.400 1.642 1384 HG21 THR 77 HG21 THR 77 10.102 3.144 0.547 1385 HG22 THR 77 HG22 THR 77 11.714 3.229 1.290 1386 HG23 THR 77 HG23 THR 77 10.399 2.356 2.113 1387 H MET 78 H MET 78 12.573 6.293 2.457 1388 HA MET 78 HA MET 78 14.833 4.639 1.971 1389 HB2 MET 78 HB1 MET 78 14.245 6.636 0.678 1390 HB3 MET 78 HB2 MET 78 14.535 7.658 2.103 1391 HG2 MET 78 HG1 MET 78 16.865 7.215 2.071 1392 HG3 MET 78 HG2 MET 78 16.674 5.884 0.917 1393 HE1 MET 78 HE1 MET 78 15.964 10.331 -0.275 1394 HE2 MET 78 HE2 MET 78 14.792 9.341 0.622 1395 HE3 MET 78 HE3 MET 78 16.325 9.820 1.389 1396 H LEU 79 H LEU 79 14.151 6.984 4.590 1397 HA LEU 79 HA LEU 79 16.709 6.692 5.859 1398 HB2 LEU 79 HB1 LEU 79 15.339 8.702 6.065 1399 HB3 LEU 79 HB2 LEU 79 14.065 7.769 6.886 1400 HG LEU 79 HG LEU 79 15.524 7.355 8.776 1401 HD11 LEU 79 HD11 LEU 79 17.761 8.390 8.990 1402 HD12 LEU 79 HD12 LEU 79 17.701 7.242 7.636 1403 HD13 LEU 79 HD13 LEU 79 17.634 8.993 7.324 1404 HD21 LEU 79 HD21 LEU 79 15.726 9.675 9.627 1405 HD22 LEU 79 HD22 LEU 79 15.553 10.294 7.967 1406 HD23 LEU 79 HD23 LEU 79 14.200 9.441 8.746 1407 H CYS 80 H CYS 80 13.492 5.127 6.466 1408 HA CYS 80 HA CYS 80 14.375 3.542 8.659 1409 HB2 CYS 80 HB1 CYS 80 11.999 3.978 7.855 1410 HB3 CYS 80 HB2 CYS 80 12.297 2.764 6.586 1411 HG CYS 80 HG CYS 80 10.897 1.699 8.526 1412 H MET 81 H MET 81 14.391 2.788 5.093 1413 HA MET 81 HA MET 81 15.773 0.304 5.609 1414 HB2 MET 81 HB1 MET 81 15.672 -0.161 3.353 1415 HB3 MET 81 HB2 MET 81 14.175 0.725 3.726 1416 HG2 MET 81 HG1 MET 81 15.245 2.789 2.834 1417 HG3 MET 81 HG2 MET 81 16.643 1.813 2.352 1418 HE1 MET 81 HE1 MET 81 14.222 -0.747 0.061 1419 HE2 MET 81 HE2 MET 81 15.693 -0.770 1.058 1420 HE3 MET 81 HE3 MET 81 14.094 -0.672 1.833 1421 H ALA 82 H ALA 82 16.992 3.472 5.600 1422 HA ALA 82 HA ALA 82 19.639 2.865 4.685 1423 HB1 ALA 82 HB1 ALA 82 20.276 4.948 5.846 1424 HB2 ALA 82 HB2 ALA 82 18.803 5.166 4.873 1425 HB3 ALA 82 HB3 ALA 82 18.686 4.989 6.642 1426 H TYR 83 H TYR 83 17.946 1.724 7.460 1427 HA TYR 83 HA TYR 83 20.373 0.467 8.400 1428 HB2 TYR 83 HB1 TYR 83 20.263 1.351 10.699 1429 HB3 TYR 83 HB2 TYR 83 20.605 2.609 9.499 1430 HD1 TYR 83 HD2 TYR 83 17.963 1.194 11.715 1431 HD2 TYR 83 HD1 TYR 83 19.201 4.498 9.254 1432 HE1 TYR 83 HE2 TYR 83 16.039 2.527 12.543 1433 HE2 TYR 83 HE1 TYR 83 17.296 5.848 10.096 1434 HH TYR 83 HH TYR 83 14.862 4.495 12.363 1435 H ASN 84 H ASN 84 16.903 0.347 8.259 1436 HA ASN 84 HA ASN 84 16.467 -1.163 10.649 1437 HB2 ASN 84 HB1 ASN 84 14.688 0.071 9.434 1438 HB3 ASN 84 HB2 ASN 84 14.754 -1.161 8.155 1439 HD21 ASN 84 HD21 ASN 84 12.387 -0.590 9.578 1440 HD22 ASN 84 HD22 ASN 84 11.963 -1.982 10.560 1441 H ASP 85 H ASP 85 17.453 -2.826 11.051 1442 HA ASP 85 HA ASP 85 17.994 -5.123 9.281 1443 HB2 ASP 85 HB1 ASP 85 19.497 -5.609 11.381 1444 HB3 ASP 85 HB2 ASP 85 20.002 -4.376 10.205 1445 H PHE 86 H PHE 86 16.154 -4.041 12.081 1446 HA PHE 86 HA PHE 86 15.564 -6.542 13.285 1447 HB2 PHE 86 HB1 PHE 86 14.189 -3.848 13.213 1448 HB3 PHE 86 HB2 PHE 86 13.516 -5.213 14.119 1449 HD1 PHE 86 HD1 PHE 86 14.756 -6.175 16.051 1450 HD2 PHE 86 HD2 PHE 86 16.120 -2.622 14.034 1451 HE1 PHE 86 HE1 PHE 86 16.245 -5.657 17.972 1452 HE2 PHE 86 HE2 PHE 86 17.611 -2.109 15.951 1453 HZ PHE 86 HZ PHE 86 17.677 -3.622 17.920 1454 H PHE 87 H PHE 87 14.141 -4.987 10.402 1455 HA PHE 87 HA PHE 87 12.209 -7.178 10.191 1456 HB2 PHE 87 HB1 PHE 87 11.026 -5.971 8.756 1457 HB3 PHE 87 HB2 PHE 87 11.866 -4.659 9.600 1458 HD1 PHE 87 HD2 PHE 87 14.361 -4.243 8.307 1459 HD2 PHE 87 HD1 PHE 87 10.662 -5.556 6.541 1460 HE1 PHE 87 HE2 PHE 87 14.988 -3.147 6.168 1461 HE2 PHE 87 HE1 PHE 87 11.269 -4.425 4.417 1462 HZ PHE 87 HZ PHE 87 13.407 -3.166 4.252 1463 H LEU 88 H LEU 88 15.390 -7.189 9.671 1464 HA LEU 88 HA LEU 88 15.256 -8.751 7.172 1465 HB2 LEU 88 HB1 LEU 88 17.074 -6.736 8.167 1466 HB3 LEU 88 HB2 LEU 88 17.952 -8.225 7.748 1467 HG LEU 88 HG LEU 88 15.835 -7.026 5.954 1468 HD11 LEU 88 HD11 LEU 88 17.610 -5.975 4.604 1469 HD12 LEU 88 HD12 LEU 88 17.560 -5.313 6.252 1470 HD13 LEU 88 HD13 LEU 88 18.817 -6.492 5.801 1471 HD21 LEU 88 HD21 LEU 88 16.962 -8.332 4.176 1472 HD22 LEU 88 HD22 LEU 88 18.150 -8.910 5.364 1473 HD23 LEU 88 HD23 LEU 88 16.438 -9.374 5.516 1474 H GLU 89 H GLU 89 18.018 -9.723 8.412 1475 HA GLU 89 HA GLU 89 17.959 -11.745 10.168 1476 HB2 GLU 89 HB1 GLU 89 16.159 -12.484 7.967 1477 HB3 GLU 89 HB2 GLU 89 17.516 -13.622 8.157 1478 HG2 GLU 89 HG1 GLU 89 16.921 -14.032 10.473 1479 HG3 GLU 89 HG2 GLU 89 15.672 -12.768 10.422 1480 H ASP 90 H ASP 90 18.437 -11.074 6.682 1481 HA ASP 90 HA ASP 90 21.124 -12.328 6.832 1482 HB2 ASP 90 HB1 ASP 90 20.697 -13.511 4.809 1483 HB3 ASP 90 HB2 ASP 90 19.363 -13.834 5.935 1484 H ASN 91 H ASN 91 21.329 -9.816 7.244 1485 HA ASN 91 HA ASN 91 21.369 -7.961 5.151 1486 HB2 ASN 91 HB1 ASN 91 21.811 -7.496 7.538 1487 HB3 ASN 91 HB2 ASN 91 23.362 -8.354 7.421 1488 HD21 ASN 91 HD21 ASN 91 25.129 -7.333 6.357 1489 HD22 ASN 91 HD22 ASN 91 25.091 -5.640 5.898 1490 H LYS 92 H LYS 92 23.469 -10.703 5.615 1491 HA LYS 92 HA LYS 92 25.323 -11.545 4.698 1492 HB2 LYS 92 HB1 LYS 92 25.479 -9.197 2.805 1493 HB3 LYS 92 HB2 LYS 92 26.439 -10.695 2.740 1494 HG2 LYS 92 HG1 LYS 92 23.464 -10.389 2.248 1495 HG3 LYS 92 HG2 LYS 92 24.724 -10.781 1.055 1496 HD2 LYS 92 HD1 LYS 92 24.201 -12.925 1.382 1497 HD3 LYS 92 HD2 LYS 92 24.998 -12.777 2.966 1498 HE2 LYS 92 HE1 LYS 92 22.806 -13.838 3.172 1499 HE3 LYS 92 HE2 LYS 92 22.846 -12.278 4.021 1500 HZ1 LYS 92 HZ1 LYS 92 20.826 -12.560 2.777 1501 HZ2 LYS 92 HZ2 LYS 92 21.703 -11.309 2.160 1502 HZ3 LYS 92 HZ3 LYS 92 21.666 -12.758 1.372 Start of MODEL 25 1 HA MET 1 HA MET 1 12.388 5.781 24.693 2 HB2 MET 1 HB1 MET 1 13.046 7.227 22.192 3 HB3 MET 1 HB2 MET 1 11.317 7.084 22.594 4 HG2 MET 1 HG1 MET 1 11.652 8.165 24.717 5 HG3 MET 1 HG2 MET 1 13.412 8.130 24.520 6 HE1 MET 1 HE1 MET 1 14.232 10.877 21.978 7 HE2 MET 1 HE2 MET 1 14.807 9.889 23.339 8 HE3 MET 1 HE3 MET 1 14.271 9.105 21.835 9 H GLU 2 H GLU 2 12.015 4.982 21.133 10 HA GLU 2 HA GLU 2 10.147 4.202 20.160 11 HB2 GLU 2 HB1 GLU 2 9.953 2.261 21.699 12 HB3 GLU 2 HB2 GLU 2 9.018 3.277 22.822 13 HG2 GLU 2 HG1 GLU 2 7.334 3.707 21.109 14 HG3 GLU 2 HG2 GLU 2 8.301 2.847 19.890 15 H THR 3 H THR 3 8.568 5.435 19.443 16 HA THR 3 HA THR 3 6.965 7.168 21.243 17 HB THR 3 HB THR 3 7.075 9.007 19.794 18 HG1 THR 3 HG1 THR 3 8.012 8.801 17.722 19 HG21 THR 3 HG21 THR 3 9.451 9.585 19.466 20 HG22 THR 3 HG22 THR 3 9.169 8.852 21.058 21 HG23 THR 3 HG23 THR 3 9.896 7.890 19.749 22 HA PRO 4 HA PRO 4 3.634 5.246 19.256 23 HB2 PRO 4 HB1 PRO 4 1.675 7.091 18.696 24 HB3 PRO 4 HB2 PRO 4 2.155 6.600 20.354 25 HG2 PRO 4 HG1 PRO 4 3.112 9.006 18.793 26 HG3 PRO 4 HG2 PRO 4 2.487 8.968 20.473 27 HD2 PRO 4 HD1 PRO 4 5.157 8.941 19.959 28 HD3 PRO 4 HD2 PRO 4 4.477 7.921 21.263 29 H LEU 5 H LEU 5 5.220 7.571 17.098 30 HA LEU 5 HA LEU 5 3.746 6.621 14.799 31 HB2 LEU 5 HB1 LEU 5 4.919 8.805 14.816 32 HB3 LEU 5 HB2 LEU 5 6.468 7.930 14.756 33 HG LEU 5 HG LEU 5 4.484 7.068 12.750 34 HD11 LEU 5 HD11 LEU 5 4.765 8.978 11.209 35 HD12 LEU 5 HD12 LEU 5 3.963 9.459 12.718 36 HD13 LEU 5 HD13 LEU 5 5.684 9.839 12.461 37 HD21 LEU 5 HD21 LEU 5 6.392 7.122 11.185 38 HD22 LEU 5 HD22 LEU 5 7.377 7.914 12.430 39 HD23 LEU 5 HD23 LEU 5 6.788 6.252 12.680 40 H GLU 6 H GLU 6 6.515 5.272 16.586 41 HA GLU 6 HA GLU 6 7.298 3.365 14.645 42 HB2 GLU 6 HB1 GLU 6 8.469 3.726 16.774 43 HB3 GLU 6 HB2 GLU 6 7.085 3.031 17.652 44 HG2 GLU 6 HG1 GLU 6 9.125 1.533 17.287 45 HG3 GLU 6 HG2 GLU 6 7.533 0.860 16.880 46 H LYS 7 H LYS 7 4.395 3.432 16.791 47 HA LYS 7 HA LYS 7 3.543 0.811 16.084 48 HB2 LYS 7 HB1 LYS 7 1.767 3.130 16.834 49 HB3 LYS 7 HB2 LYS 7 1.415 1.392 16.990 50 HG2 LYS 7 HG1 LYS 7 3.398 3.041 18.573 51 HG3 LYS 7 HG2 LYS 7 1.926 2.232 19.161 52 HD2 LYS 7 HD1 LYS 7 3.014 0.015 18.590 53 HD3 LYS 7 HD2 LYS 7 4.511 0.909 18.237 54 HE2 LYS 7 HE1 LYS 7 4.284 1.990 20.521 55 HE3 LYS 7 HE2 LYS 7 2.956 0.855 20.852 56 HZ1 LYS 7 HZ1 LYS 7 5.034 0.076 21.738 57 HZ2 LYS 7 HZ2 LYS 7 4.504 -0.941 20.555 58 HZ3 LYS 7 HZ3 LYS 7 5.735 0.113 20.248 59 H ALA 8 H ALA 8 3.395 3.767 14.129 60 HA ALA 8 HA ALA 8 1.816 2.520 12.060 61 HB1 ALA 8 HB1 ALA 8 2.635 4.368 10.634 62 HB2 ALA 8 HB2 ALA 8 2.053 4.963 12.206 63 HB3 ALA 8 HB3 ALA 8 3.800 4.821 11.899 64 H LEU 9 H LEU 9 5.432 2.869 12.493 65 HA LEU 9 HA LEU 9 5.948 1.540 10.001 66 HB2 LEU 9 HB1 LEU 9 7.593 2.556 12.261 67 HB3 LEU 9 HB2 LEU 9 8.321 1.319 11.209 68 HG LEU 9 HG LEU 9 8.904 3.633 10.570 69 HD11 LEU 9 HD11 LEU 9 8.460 3.440 8.140 70 HD12 LEU 9 HD12 LEU 9 8.930 1.880 8.843 71 HD13 LEU 9 HD13 LEU 9 7.222 2.213 8.472 72 HD21 LEU 9 HD21 LEU 9 7.234 5.109 9.496 73 HD22 LEU 9 HD22 LEU 9 5.963 3.928 9.867 74 HD23 LEU 9 HD23 LEU 9 6.811 4.768 11.186 75 H THR 10 H THR 10 6.369 0.294 13.403 76 HA THR 10 HA THR 10 6.751 -2.386 13.050 77 HB THR 10 HB THR 10 4.897 -0.907 14.923 78 HG1 THR 10 HG1 THR 10 6.575 -1.553 16.372 79 HG21 THR 10 HG21 THR 10 4.776 -2.971 16.321 80 HG22 THR 10 HG22 THR 10 4.014 -3.228 14.737 81 HG23 THR 10 HG23 THR 10 5.647 -3.864 15.057 82 H THR 11 H THR 11 3.526 -0.768 12.684 83 HA THR 11 HA THR 11 2.154 -3.188 12.002 84 HB THR 11 HB THR 11 1.434 -0.280 11.546 85 HG1 THR 11 HG1 THR 11 0.175 -0.783 13.410 86 HG21 THR 11 HG21 THR 11 -0.910 -1.073 11.357 87 HG22 THR 11 HG22 THR 11 0.092 -1.723 10.043 88 HG23 THR 11 HG23 THR 11 -0.341 -2.754 11.428 89 H MET 12 H MET 12 3.425 -0.517 9.926 90 HA MET 12 HA MET 12 2.793 -1.666 7.443 91 HB2 MET 12 HB1 MET 12 5.056 0.159 8.287 92 HB3 MET 12 HB2 MET 12 4.794 -0.332 6.597 93 HG2 MET 12 HG1 MET 12 2.570 0.659 6.618 94 HG3 MET 12 HG2 MET 12 2.732 1.061 8.335 95 HE1 MET 12 HE1 MET 12 3.093 4.110 5.345 96 HE2 MET 12 HE2 MET 12 2.755 2.425 4.894 97 HE3 MET 12 HE3 MET 12 1.813 3.207 6.184 98 H VAL 13 H VAL 13 5.725 -2.321 9.491 99 HA VAL 13 HA VAL 13 6.822 -4.061 7.456 100 HB VAL 13 HB VAL 13 8.512 -4.750 9.014 101 HG11 VAL 13 HG11 VAL 13 9.671 -2.594 9.361 102 HG12 VAL 13 HG12 VAL 13 8.876 -2.670 7.777 103 HG13 VAL 13 HG13 VAL 13 8.137 -1.741 9.102 104 HG21 VAL 13 HG21 VAL 13 8.767 -3.826 11.284 105 HG22 VAL 13 HG22 VAL 13 7.195 -3.023 11.120 106 HG23 VAL 13 HG23 VAL 13 7.294 -4.802 11.123 107 H THR 14 H THR 14 4.750 -4.551 10.300 108 HA THR 14 HA THR 14 4.980 -7.415 10.379 109 HB THR 14 HB THR 14 2.828 -5.547 11.426 110 HG1 THR 14 HG1 THR 14 4.028 -5.944 13.352 111 HG21 THR 14 HG21 THR 14 2.235 -7.386 12.984 112 HG22 THR 14 HG22 THR 14 1.963 -7.865 11.295 113 HG23 THR 14 HG23 THR 14 3.402 -8.446 12.166 114 H THR 15 H THR 15 2.738 -5.195 8.720 115 HA THR 15 HA THR 15 1.181 -7.294 7.486 116 HB THR 15 HB THR 15 0.436 -5.359 5.967 117 HG1 THR 15 HG1 THR 15 0.955 -3.311 6.868 118 HG21 THR 15 HG21 THR 15 -0.960 -4.333 7.745 119 HG22 THR 15 HG22 THR 15 -0.886 -6.099 7.927 120 HG23 THR 15 HG23 THR 15 0.094 -5.054 8.981 121 H PHE 16 H PHE 16 3.846 -5.130 6.268 122 HA PHE 16 HA PHE 16 3.895 -6.235 3.662 123 HB2 PHE 16 HB1 PHE 16 4.926 -4.103 4.321 124 HB3 PHE 16 HB2 PHE 16 6.148 -4.987 5.252 125 HD1 PHE 16 HD2 PHE 16 4.934 -4.238 1.797 126 HD2 PHE 16 HD1 PHE 16 8.040 -6.015 4.192 127 HE1 PHE 16 HE2 PHE 16 6.451 -4.227 -0.167 128 HE2 PHE 16 HE1 PHE 16 9.516 -6.083 2.208 129 HZ PHE 16 HZ PHE 16 8.740 -5.196 0.021 130 H HIS 17 H HIS 17 6.034 -7.136 6.498 131 HA HIS 17 HA HIS 17 7.293 -9.250 5.065 132 HB2 HIS 17 HB1 HIS 17 8.142 -8.144 7.136 133 HB3 HIS 17 HB2 HIS 17 6.918 -9.033 8.062 134 HD1 HIS 17 HD1 HIS 17 7.379 -11.656 8.423 135 HD2 HIS 17 HD2 HIS 17 10.250 -9.583 6.166 136 HE1 HIS 17 HE1 HIS 17 9.375 -13.222 8.177 137 HE2 HIS 17 HE2 HIS 17 11.149 -11.981 6.803 138 H LYS 18 H LYS 18 4.023 -9.167 6.382 139 HA LYS 18 HA LYS 18 3.690 -12.009 6.561 140 HB2 LYS 18 HB1 LYS 18 2.176 -10.000 7.356 141 HB3 LYS 18 HB2 LYS 18 1.441 -10.181 5.746 142 HG2 LYS 18 HG1 LYS 18 1.052 -12.584 6.213 143 HG3 LYS 18 HG2 LYS 18 1.745 -12.368 7.838 144 HD2 LYS 18 HD1 LYS 18 -0.074 -10.749 8.371 145 HD3 LYS 18 HD2 LYS 18 -0.782 -11.043 6.765 146 HE2 LYS 18 HE1 LYS 18 -0.972 -13.461 7.290 147 HE3 LYS 18 HE2 LYS 18 -0.254 -13.174 8.890 148 HZ1 LYS 18 HZ1 LYS 18 -2.636 -13.315 8.995 149 HZ2 LYS 18 HZ2 LYS 18 -2.138 -11.801 9.417 150 HZ3 LYS 18 HZ3 LYS 18 -2.804 -12.067 7.931 151 H TYR 19 H TYR 19 3.877 -9.874 3.796 152 HA TYR 19 HA TYR 19 3.176 -12.108 1.959 153 HB2 TYR 19 HB1 TYR 19 3.103 -9.095 1.557 154 HB3 TYR 19 HB2 TYR 19 2.787 -10.289 0.285 155 HD1 TYR 19 HD2 TYR 19 1.494 -8.739 3.384 156 HD2 TYR 19 HD1 TYR 19 0.666 -11.490 0.177 157 HE1 TYR 19 HE2 TYR 19 -0.874 -8.877 4.131 158 HE2 TYR 19 HE1 TYR 19 -1.720 -11.584 0.877 159 HH TYR 19 HH TYR 19 -2.897 -9.835 3.804 160 H SER 20 H SER 20 5.719 -9.872 2.899 161 HA SER 20 HA SER 20 7.464 -10.572 0.639 162 HB2 SER 20 HB1 SER 20 7.472 -8.268 1.296 163 HB3 SER 20 HB2 SER 20 7.706 -8.689 3.010 164 HG SER 20 HG SER 20 9.643 -7.998 1.989 165 H GLY 21 H GLY 21 7.067 -11.558 4.040 166 HA2 GLY 21 HA2 GLY 21 9.291 -12.903 3.476 167 H ARG 22 H ARG 22 8.531 -13.606 1.812 168 HA ARG 22 HA ARG 22 7.040 -16.130 2.126 169 HB2 ARG 22 HB1 ARG 22 6.370 -14.024 0.717 170 HB3 ARG 22 HB2 ARG 22 7.575 -14.627 -0.447 171 HG2 ARG 22 HG1 ARG 22 5.535 -15.515 -1.215 172 HG3 ARG 22 HG2 ARG 22 6.288 -16.865 -0.331 173 HD2 ARG 22 HD1 ARG 22 4.934 -16.297 1.668 174 HD3 ARG 22 HD2 ARG 22 4.168 -14.971 0.767 175 HE ARG 22 HE ARG 22 3.050 -16.564 -0.615 176 HH11 ARG 22 HH12 ARG 22 4.943 -18.274 1.829 177 HH12 ARG 22 HH11 ARG 22 3.908 -19.677 1.786 178 HH21 ARG 22 HH22 ARG 22 1.679 -18.322 -0.522 179 HH22 ARG 22 HH21 ARG 22 2.085 -19.702 0.471 180 H GLU 23 H GLU 23 9.841 -14.797 0.467 181 HA GLU 23 HA GLU 23 11.761 -16.627 0.416 182 HB2 GLU 23 HB1 GLU 23 9.663 -17.841 -1.100 183 HB3 GLU 23 HB2 GLU 23 10.955 -17.374 -2.233 184 HG2 GLU 23 HG1 GLU 23 11.478 -18.889 0.351 185 HG3 GLU 23 HG2 GLU 23 11.176 -19.696 -1.203 186 H GLY 24 H GLY 24 13.276 -16.279 -1.633 187 HA2 GLY 24 HA2 GLY 24 14.193 -15.182 -2.723 188 H SER 25 H SER 25 12.584 -12.562 -1.400 189 HA SER 25 HA SER 25 15.148 -12.189 -0.138 190 HB2 SER 25 HB1 SER 25 14.319 -10.280 -2.284 191 HB3 SER 25 HB2 SER 25 15.074 -9.617 -0.813 192 HG SER 25 HG SER 25 16.613 -10.205 -2.417 193 H LYS 26 H LYS 26 15.012 -11.047 1.831 194 HA LYS 26 HA LYS 26 12.368 -11.577 2.907 195 HB2 LYS 26 HB1 LYS 26 15.025 -10.865 4.181 196 HB3 LYS 26 HB2 LYS 26 13.563 -11.315 5.089 197 HG2 LYS 26 HG1 LYS 26 13.631 -13.539 4.360 198 HG3 LYS 26 HG2 LYS 26 14.622 -13.147 2.935 199 HD2 LYS 26 HD1 LYS 26 15.630 -13.112 5.808 200 HD3 LYS 26 HD2 LYS 26 15.858 -14.456 4.664 201 HE2 LYS 26 HE1 LYS 26 17.068 -12.986 3.127 202 HE3 LYS 26 HE2 LYS 26 16.773 -11.593 4.189 203 HZ1 LYS 26 HZ1 LYS 26 18.985 -12.441 4.433 204 HZ2 LYS 26 HZ2 LYS 26 18.141 -12.636 5.832 205 HZ3 LYS 26 HZ3 LYS 26 18.415 -13.929 4.847 206 H LEU 27 H LEU 27 12.937 -9.061 1.345 207 HA LEU 27 HA LEU 27 11.203 -7.281 2.783 208 HB2 LEU 27 HB1 LEU 27 12.568 -5.405 2.993 209 HB3 LEU 27 HB2 LEU 27 13.488 -6.772 3.667 210 HG LEU 27 HG LEU 27 13.958 -5.356 1.027 211 HD11 LEU 27 HD11 LEU 27 16.106 -4.758 2.112 212 HD12 LEU 27 HD12 LEU 27 14.720 -4.188 3.072 213 HD13 LEU 27 HD13 LEU 27 15.615 -5.641 3.576 214 HD21 LEU 27 HD21 LEU 27 15.907 -6.839 0.713 215 HD22 LEU 27 HD22 LEU 27 15.436 -7.761 2.159 216 HD23 LEU 27 HD23 LEU 27 14.386 -7.759 0.722 217 H THR 28 H THR 28 11.859 -8.766 -0.038 218 HA THR 28 HA THR 28 10.398 -6.628 -1.497 219 HB THR 28 HB THR 28 11.134 -7.530 -3.600 220 HG1 THR 28 HG1 THR 28 12.675 -9.228 -3.619 221 HG21 THR 28 HG21 THR 28 13.559 -7.053 -3.514 222 HG22 THR 28 HG22 THR 28 12.632 -5.879 -2.557 223 HG23 THR 28 HG23 THR 28 13.516 -7.193 -1.744 224 H LEU 29 H LEU 29 8.961 -7.559 -3.246 225 HA LEU 29 HA LEU 29 7.950 -10.240 -3.114 226 HB2 LEU 29 HB1 LEU 29 5.755 -9.914 -2.359 227 HB3 LEU 29 HB2 LEU 29 6.823 -9.180 -1.138 228 HG LEU 29 HG LEU 29 5.062 -7.752 -3.148 229 HD11 LEU 29 HD11 LEU 29 3.940 -6.920 -1.087 230 HD12 LEU 29 HD12 LEU 29 3.937 -8.698 -1.145 231 HD13 LEU 29 HD13 LEU 29 5.092 -7.843 -0.094 232 HD21 LEU 29 HD21 LEU 29 5.753 -5.623 -2.090 233 HD22 LEU 29 HD22 LEU 29 6.922 -6.508 -1.089 234 HD23 LEU 29 HD23 LEU 29 7.130 -6.439 -2.855 235 H SER 30 H SER 30 6.056 -10.471 -4.884 236 HA SER 30 HA SER 30 6.844 -8.731 -7.076 237 HB2 SER 30 HB1 SER 30 5.867 -10.137 -8.531 238 HB3 SER 30 HB2 SER 30 5.973 -11.259 -7.152 239 HG SER 30 HG SER 30 3.892 -11.238 -8.125 240 H ARG 31 H ARG 31 5.369 -7.510 -8.426 241 HA ARG 31 HA ARG 31 3.907 -5.518 -7.140 242 HB2 ARG 31 HB1 ARG 31 4.759 -5.996 -9.664 243 HB3 ARG 31 HB2 ARG 31 3.024 -6.338 -9.870 244 HG2 ARG 31 HG1 ARG 31 3.139 -4.067 -10.350 245 HG3 ARG 31 HG2 ARG 31 2.691 -4.064 -8.627 246 HD2 ARG 31 HD1 ARG 31 5.355 -4.036 -8.333 247 HD3 ARG 31 HD2 ARG 31 5.272 -3.289 -9.943 248 HE ARG 31 HE ARG 31 3.452 -2.154 -7.959 249 HH11 ARG 31 HH12 ARG 31 6.555 -1.739 -9.562 250 HH12 ARG 31 HH11 ARG 31 6.753 -0.108 -8.975 251 HH21 ARG 31 HH22 ARG 31 3.807 -0.090 -7.150 252 HH22 ARG 31 HH21 ARG 31 5.225 0.810 -7.634 253 H LYS 32 H LYS 32 2.752 -8.744 -8.111 254 HA LYS 32 HA LYS 32 -0.045 -8.282 -7.942 255 HB2 LYS 32 HB1 LYS 32 1.561 -10.807 -7.399 256 HB3 LYS 32 HB2 LYS 32 -0.210 -10.743 -7.563 257 HG2 LYS 32 HG1 LYS 32 0.092 -9.751 -9.843 258 HG3 LYS 32 HG2 LYS 32 1.848 -9.988 -9.670 259 HD2 LYS 32 HD1 LYS 32 1.491 -12.420 -9.405 260 HD3 LYS 32 HD2 LYS 32 -0.264 -12.180 -9.586 261 HE2 LYS 32 HE1 LYS 32 0.534 -12.806 -11.752 262 HE3 LYS 32 HE2 LYS 32 0.249 -11.053 -11.820 263 HZ1 LYS 32 HZ1 LYS 32 2.331 -11.655 -12.823 264 HZ2 LYS 32 HZ2 LYS 32 2.592 -10.724 -11.487 265 HZ3 LYS 32 HZ3 LYS 32 2.858 -12.350 -11.423 266 H GLU 33 H GLU 33 2.202 -9.609 -5.419 267 HA GLU 33 HA GLU 33 0.209 -9.887 -3.443 268 HB2 GLU 33 HB1 GLU 33 3.210 -9.649 -3.288 269 HB3 GLU 33 HB2 GLU 33 2.200 -9.844 -1.836 270 HG2 GLU 33 HG1 GLU 33 2.777 -12.019 -2.234 271 HG3 GLU 33 HG2 GLU 33 1.251 -11.918 -3.139 272 H LEU 34 H LEU 34 2.372 -7.052 -4.107 273 HA LEU 34 HA LEU 34 1.584 -5.410 -1.968 274 HB2 LEU 34 HB1 LEU 34 3.316 -4.666 -3.403 275 HB3 LEU 34 HB2 LEU 34 2.298 -4.831 -4.853 276 HG LEU 34 HG LEU 34 0.919 -2.927 -4.096 277 HD11 LEU 34 HD11 LEU 34 1.671 -1.510 -2.206 278 HD12 LEU 34 HD12 LEU 34 1.274 -3.155 -1.662 279 HD13 LEU 34 HD13 LEU 34 2.974 -2.669 -1.864 280 HD21 LEU 34 HD21 LEU 34 2.572 -1.106 -4.441 281 HD22 LEU 34 HD22 LEU 34 3.891 -2.255 -4.128 282 HD23 LEU 34 HD23 LEU 34 2.856 -2.456 -5.562 283 H LYS 35 H LYS 35 -0.032 -5.711 -5.196 284 HA LYS 35 HA LYS 35 -2.192 -3.974 -4.450 285 HB2 LYS 35 HB1 LYS 35 -1.988 -3.909 -6.654 286 HB3 LYS 35 HB2 LYS 35 -1.244 -5.523 -6.734 287 HG2 LYS 35 HG1 LYS 35 -4.207 -5.276 -6.362 288 HG3 LYS 35 HG2 LYS 35 -3.487 -5.027 -7.971 289 HD2 LYS 35 HD1 LYS 35 -2.442 -7.257 -7.871 290 HD3 LYS 35 HD2 LYS 35 -3.088 -7.504 -6.233 291 HE2 LYS 35 HE1 LYS 35 -5.377 -7.325 -7.065 292 HE3 LYS 35 HE2 LYS 35 -4.785 -6.938 -8.696 293 HZ1 LYS 35 HZ1 LYS 35 -5.381 -9.240 -8.491 294 HZ2 LYS 35 HZ2 LYS 35 -3.763 -9.099 -8.768 295 HZ3 LYS 35 HZ3 LYS 35 -4.311 -9.458 -7.256 296 H GLU 36 H GLU 36 -1.651 -7.418 -4.010 297 HA GLU 36 HA GLU 36 -4.422 -8.095 -3.592 298 HB2 GLU 36 HB1 GLU 36 -2.353 -9.547 -4.338 299 HB3 GLU 36 HB2 GLU 36 -2.121 -9.751 -2.585 300 HG2 GLU 36 HG1 GLU 36 -3.468 -11.581 -3.516 301 HG3 GLU 36 HG2 GLU 36 -4.417 -10.604 -2.374 302 H LEU 37 H LEU 37 -1.617 -7.620 -1.419 303 HA LEU 37 HA LEU 37 -2.619 -7.943 1.110 304 HB2 LEU 37 HB1 LEU 37 -0.364 -7.509 0.944 305 HB3 LEU 37 HB2 LEU 37 -0.595 -6.169 -0.205 306 HG LEU 37 HG LEU 37 -1.252 -4.698 1.634 307 HD11 LEU 37 HD11 LEU 37 -0.867 -5.300 4.004 308 HD12 LEU 37 HD12 LEU 37 -2.142 -6.297 3.276 309 HD13 LEU 37 HD13 LEU 37 -0.510 -6.967 3.513 310 HD21 LEU 37 HD21 LEU 37 1.017 -4.495 2.629 311 HD22 LEU 37 HD22 LEU 37 1.397 -6.145 2.087 312 HD23 LEU 37 HD23 LEU 37 1.105 -4.858 0.892 313 H ILE 38 H ILE 38 -2.778 -4.935 -0.809 314 HA ILE 38 HA ILE 38 -4.193 -3.368 1.079 315 HB ILE 38 HB ILE 38 -3.843 -3.238 -1.920 316 HG12 ILE 38 HG13 ILE 38 -2.704 -1.497 0.301 317 HG13 ILE 38 HG12 ILE 38 -1.895 -2.960 -0.309 318 HG21 ILE 38 HG21 ILE 38 -4.688 -0.917 -1.871 319 HG22 ILE 38 HG22 ILE 38 -5.950 -2.081 -1.409 320 HG23 ILE 38 HG23 ILE 38 -5.125 -1.116 -0.160 321 HD11 ILE 38 HD11 ILE 38 -0.950 -0.921 -1.346 322 HD12 ILE 38 HD12 ILE 38 -1.754 -1.947 -2.552 323 HD13 ILE 38 HD13 ILE 38 -2.565 -0.484 -1.942 324 H LYS 39 H LYS 39 -5.518 -5.407 -1.643 325 HA LYS 39 HA LYS 39 -8.234 -4.955 -0.758 326 HB2 LYS 39 HB1 LYS 39 -6.817 -6.420 -2.902 327 HB3 LYS 39 HB2 LYS 39 -8.335 -7.178 -2.364 328 HG2 LYS 39 HG1 LYS 39 -8.873 -5.733 -4.192 329 HG3 LYS 39 HG2 LYS 39 -9.467 -4.949 -2.708 330 HD2 LYS 39 HD1 LYS 39 -7.443 -3.520 -2.689 331 HD3 LYS 39 HD2 LYS 39 -6.925 -4.270 -4.218 332 HE2 LYS 39 HE1 LYS 39 -9.540 -2.770 -3.875 333 HE3 LYS 39 HE2 LYS 39 -8.032 -2.010 -4.430 334 HZ1 LYS 39 HZ1 LYS 39 -9.446 -2.612 -6.256 335 HZ2 LYS 39 HZ2 LYS 39 -8.050 -3.485 -6.304 336 HZ3 LYS 39 HZ3 LYS 39 -9.449 -4.192 -5.789 337 H LYS 40 H LYS 40 -5.821 -6.917 0.695 338 HA LYS 40 HA LYS 40 -7.733 -8.957 1.610 339 HB2 LYS 40 HB1 LYS 40 -4.799 -8.508 2.209 340 HB3 LYS 40 HB2 LYS 40 -5.780 -9.785 2.966 341 HG2 LYS 40 HG1 LYS 40 -4.666 -9.587 0.216 342 HG3 LYS 40 HG2 LYS 40 -4.728 -10.965 1.340 343 HD2 LYS 40 HD1 LYS 40 -6.254 -11.722 -0.134 344 HD3 LYS 40 HD2 LYS 40 -7.353 -10.695 0.817 345 HE2 LYS 40 HE1 LYS 40 -7.241 -8.934 -0.796 346 HE3 LYS 40 HE2 LYS 40 -5.902 -9.721 -1.658 347 HZ1 LYS 40 HZ1 LYS 40 -7.980 -10.017 -2.789 348 HZ2 LYS 40 HZ2 LYS 40 -7.403 -11.470 -2.268 349 HZ3 LYS 40 HZ3 LYS 40 -8.648 -10.740 -1.468 350 H GLU 41 H GLU 41 -6.178 -6.080 2.734 351 HA GLU 41 HA GLU 41 -7.472 -6.390 5.373 352 HB2 GLU 41 HB1 GLU 41 -5.704 -5.332 6.463 353 HB3 GLU 41 HB2 GLU 41 -5.006 -6.566 5.385 354 HG2 GLU 41 HG1 GLU 41 -3.522 -4.822 5.147 355 HG3 GLU 41 HG2 GLU 41 -4.612 -4.561 3.769 356 H LEU 42 H LEU 42 -6.973 -4.022 2.726 357 HA LEU 42 HA LEU 42 -8.609 -2.099 4.199 358 HB2 LEU 42 HB1 LEU 42 -6.533 -1.675 2.512 359 HB3 LEU 42 HB2 LEU 42 -7.896 -1.502 1.382 360 HG LEU 42 HG LEU 42 -8.821 -0.005 3.440 361 HD11 LEU 42 HD11 LEU 42 -6.991 1.414 4.339 362 HD12 LEU 42 HD12 LEU 42 -6.774 -0.288 4.801 363 HD13 LEU 42 HD13 LEU 42 -5.801 0.410 3.483 364 HD21 LEU 42 HD21 LEU 42 -8.051 2.018 2.227 365 HD22 LEU 42 HD22 LEU 42 -6.874 1.025 1.338 366 HD23 LEU 42 HD23 LEU 42 -8.620 0.767 1.102 367 H CYS 43 H CYS 43 -10.558 -1.479 3.762 368 HA CYS 43 HA CYS 43 -12.103 -2.751 1.566 369 HB2 CYS 43 HB1 CYS 43 -12.745 -3.226 3.992 370 HB3 CYS 43 HB2 CYS 43 -13.262 -1.524 4.076 371 HG CYS 43 HG CYS 43 -15.340 -3.067 3.696 372 H LEU 44 H LEU 44 -13.626 -1.396 0.445 373 HA LEU 44 HA LEU 44 -12.741 1.390 0.035 374 HB2 LEU 44 HB1 LEU 44 -12.174 -0.985 -1.779 375 HB3 LEU 44 HB2 LEU 44 -12.192 0.685 -2.393 376 HG LEU 44 HG LEU 44 -10.431 -0.148 -0.077 377 HD11 LEU 44 HD11 LEU 44 -8.604 -0.464 -1.710 378 HD12 LEU 44 HD12 LEU 44 -9.925 -1.625 -1.985 379 HD13 LEU 44 HD13 LEU 44 -9.752 -0.204 -3.044 380 HD21 LEU 44 HD21 LEU 44 -9.112 1.821 -0.789 381 HD22 LEU 44 HD22 LEU 44 -10.262 2.111 -2.115 382 HD23 LEU 44 HD23 LEU 44 -10.794 2.269 -0.424 383 H GLY 45 H GLY 45 -15.222 -0.827 0.023 384 HA2 GLY 45 HA2 GLY 45 -16.431 0.731 -1.730 385 H GLU 46 H GLU 46 -16.746 0.405 1.086 386 HA GLU 46 HA GLU 46 -19.324 1.716 1.294 387 HB2 GLU 46 HB1 GLU 46 -18.792 1.928 3.587 388 HB3 GLU 46 HB2 GLU 46 -18.218 0.326 3.062 389 HG2 GLU 46 HG1 GLU 46 -16.331 2.658 3.297 390 HG3 GLU 46 HG2 GLU 46 -16.813 1.718 4.725 391 H MET 47 H MET 47 -17.576 3.158 -0.779 392 HA MET 47 HA MET 47 -16.185 5.248 0.645 393 HB2 MET 47 HB1 MET 47 -15.272 2.548 0.974 394 HB3 MET 47 HB2 MET 47 -14.069 3.413 -0.011 395 HG2 MET 47 HG1 MET 47 -15.158 4.683 2.484 396 HG3 MET 47 HG2 MET 47 -13.913 3.429 2.608 397 HE1 MET 47 HE1 MET 47 -10.823 4.880 0.935 398 HE2 MET 47 HE2 MET 47 -11.508 3.622 1.997 399 HE3 MET 47 HE3 MET 47 -12.025 3.729 0.297 400 H LYS 48 H LYS 48 -13.981 5.678 -0.595 401 HA LYS 48 HA LYS 48 -14.638 6.239 -3.384 402 HB2 LYS 48 HB1 LYS 48 -12.456 6.995 -1.424 403 HB3 LYS 48 HB2 LYS 48 -12.307 7.379 -3.157 404 HG2 LYS 48 HG1 LYS 48 -13.318 9.310 -2.518 405 HG3 LYS 48 HG2 LYS 48 -14.790 8.330 -2.720 406 HD2 LYS 48 HD1 LYS 48 -15.160 9.409 -0.685 407 HD3 LYS 48 HD2 LYS 48 -14.523 7.828 -0.174 408 HE2 LYS 48 HE1 LYS 48 -12.313 8.768 0.176 409 HE3 LYS 48 HE2 LYS 48 -12.822 10.329 -0.507 410 HZ1 LYS 48 HZ1 LYS 48 -12.751 10.384 1.881 411 HZ2 LYS 48 HZ2 LYS 48 -14.298 10.588 1.353 412 HZ3 LYS 48 HZ3 LYS 48 -13.826 9.140 1.986 413 H GLU 49 H GLU 49 -13.965 5.153 -5.108 414 HA GLU 49 HA GLU 49 -11.967 2.984 -4.862 415 HB2 GLU 49 HB1 GLU 49 -13.737 1.781 -6.462 416 HB3 GLU 49 HB2 GLU 49 -13.768 1.628 -4.690 417 HG2 GLU 49 HG1 GLU 49 -16.013 1.901 -5.708 418 HG3 GLU 49 HG2 GLU 49 -15.613 3.165 -4.523 419 H SER 50 H SER 50 -13.875 4.976 -7.173 420 HA SER 50 HA SER 50 -12.344 4.148 -9.497 421 HB2 SER 50 HB1 SER 50 -14.586 6.132 -9.025 422 HB3 SER 50 HB2 SER 50 -13.813 5.905 -10.612 423 HG SER 50 HG SER 50 -15.683 4.597 -10.340 424 H SER 51 H SER 51 -10.416 4.748 -8.316 425 HA SER 51 HA SER 51 -8.965 6.998 -9.159 426 HB2 SER 51 HB1 SER 51 -10.396 8.252 -7.548 427 HB3 SER 51 HB2 SER 51 -9.884 7.144 -6.252 428 HG SER 51 HG SER 51 -8.630 9.069 -6.325 429 H ILE 52 H ILE 52 -9.524 4.588 -6.529 430 HA ILE 52 HA ILE 52 -6.710 4.120 -6.108 431 HB ILE 52 HB ILE 52 -7.276 2.544 -4.551 432 HG12 ILE 52 HG13 ILE 52 -9.804 1.784 -4.291 433 HG13 ILE 52 HG12 ILE 52 -9.743 1.912 -6.065 434 HG21 ILE 52 HG21 ILE 52 -9.020 3.590 -3.147 435 HG22 ILE 52 HG22 ILE 52 -7.989 4.800 -3.935 436 HG23 ILE 52 HG23 ILE 52 -9.620 4.471 -4.565 437 HD11 ILE 52 HD11 ILE 52 -9.199 -0.386 -5.316 438 HD12 ILE 52 HD12 ILE 52 -7.806 0.382 -6.107 439 HD13 ILE 52 HD13 ILE 52 -7.866 0.257 -4.333 440 H ASP 53 H ASP 53 -9.150 2.681 -8.220 441 HA ASP 53 HA ASP 53 -7.465 0.334 -8.627 442 HB2 ASP 53 HB1 ASP 53 -10.213 0.733 -8.532 443 HB3 ASP 53 HB2 ASP 53 -9.877 0.361 -10.237 444 H ASP 54 H ASP 54 -7.859 3.374 -10.285 445 HA ASP 54 HA ASP 54 -6.569 2.570 -12.697 446 HB2 ASP 54 HB1 ASP 54 -7.463 4.867 -12.282 447 HB3 ASP 54 HB2 ASP 54 -6.149 5.145 -11.120 448 H LEU 55 H LEU 55 -5.266 3.379 -9.435 449 HA LEU 55 HA LEU 55 -2.522 3.078 -10.110 450 HB2 LEU 55 HB1 LEU 55 -3.742 2.496 -7.409 451 HB3 LEU 55 HB2 LEU 55 -2.073 2.999 -7.778 452 HG LEU 55 HG LEU 55 -4.564 4.712 -8.017 453 HD11 LEU 55 HD11 LEU 55 -3.568 5.935 -6.108 454 HD12 LEU 55 HD12 LEU 55 -3.876 4.232 -5.694 455 HD13 LEU 55 HD13 LEU 55 -2.221 4.774 -6.067 456 HD21 LEU 55 HD21 LEU 55 -3.002 6.572 -8.482 457 HD22 LEU 55 HD22 LEU 55 -1.639 5.428 -8.469 458 HD23 LEU 55 HD23 LEU 55 -2.891 5.308 -9.728 459 H MET 56 H MET 56 -4.923 0.694 -8.842 460 HA MET 56 HA MET 56 -3.142 -1.515 -8.732 461 HB2 MET 56 HB1 MET 56 -6.146 -1.510 -9.185 462 HB3 MET 56 HB2 MET 56 -5.166 -2.895 -8.648 463 HG2 MET 56 HG1 MET 56 -5.577 -0.282 -7.161 464 HG3 MET 56 HG2 MET 56 -6.299 -1.846 -6.753 465 HE1 MET 56 HE1 MET 56 -4.143 -2.966 -4.094 466 HE2 MET 56 HE2 MET 56 -5.607 -1.991 -4.385 467 HE3 MET 56 HE3 MET 56 -5.358 -3.510 -5.280 468 H LYS 57 H LYS 57 -5.382 -0.534 -11.384 469 HA LYS 57 HA LYS 57 -4.599 -2.369 -13.347 470 HB2 LYS 57 HB1 LYS 57 -6.492 -1.001 -13.618 471 HB3 LYS 57 HB2 LYS 57 -5.545 0.491 -13.409 472 HG2 LYS 57 HG1 LYS 57 -5.033 -1.312 -15.761 473 HG3 LYS 57 HG2 LYS 57 -6.418 -0.192 -15.768 474 HD2 LYS 57 HD1 LYS 57 -3.505 0.610 -15.399 475 HD3 LYS 57 HD2 LYS 57 -4.435 0.754 -16.910 476 HE2 LYS 57 HE1 LYS 57 -5.489 2.626 -16.223 477 HE3 LYS 57 HE2 LYS 57 -5.767 1.981 -14.591 478 HZ1 LYS 57 HZ1 LYS 57 -4.357 3.906 -14.556 479 HZ2 LYS 57 HZ2 LYS 57 -3.524 2.582 -14.040 480 HZ3 LYS 57 HZ3 LYS 57 -3.266 3.182 -15.555 481 H SER 58 H SER 58 -2.775 0.510 -12.240 482 HA SER 58 HA SER 58 -0.825 0.250 -14.354 483 HB2 SER 58 HB1 SER 58 -0.726 1.779 -11.735 484 HB3 SER 58 HB2 SER 58 0.483 1.897 -13.036 485 HG SER 58 HG SER 58 -1.134 3.532 -13.172 486 H LEU 59 H LEU 59 -1.262 -1.479 -11.363 487 HA LEU 59 HA LEU 59 1.578 -2.250 -11.166 488 HB2 LEU 59 HB1 LEU 59 -0.901 -2.994 -9.569 489 HB3 LEU 59 HB2 LEU 59 0.752 -3.541 -9.195 490 HG LEU 59 HG LEU 59 -0.599 -0.965 -8.649 491 HD11 LEU 59 HD11 LEU 59 0.760 -1.157 -6.585 492 HD12 LEU 59 HD12 LEU 59 -0.129 -2.661 -6.921 493 HD13 LEU 59 HD13 LEU 59 1.611 -2.556 -7.278 494 HD21 LEU 59 HD21 LEU 59 1.493 0.337 -8.461 495 HD22 LEU 59 HD22 LEU 59 2.387 -1.013 -9.190 496 HD23 LEU 59 HD23 LEU 59 1.163 -0.136 -10.140 497 H ASP 60 H ASP 60 -1.588 -3.807 -11.495 498 HA ASP 60 HA ASP 60 -0.469 -6.417 -12.043 499 HB2 ASP 60 HB1 ASP 60 -2.899 -5.291 -11.036 500 HB3 ASP 60 HB2 ASP 60 -3.292 -6.373 -12.390 501 H LYS 61 H LYS 61 -1.323 -3.764 -14.087 502 HA LYS 61 HA LYS 61 -1.493 -4.877 -16.603 503 HB2 LYS 61 HB1 LYS 61 -1.314 -2.614 -16.651 504 HB3 LYS 61 HB2 LYS 61 -0.121 -2.568 -15.328 505 HG2 LYS 61 HG1 LYS 61 0.709 -1.698 -17.508 506 HG3 LYS 61 HG2 LYS 61 1.672 -3.037 -16.837 507 HD2 LYS 61 HD1 LYS 61 1.218 -4.375 -18.627 508 HD3 LYS 61 HD2 LYS 61 -0.519 -3.989 -18.568 509 HE2 LYS 61 HE1 LYS 61 0.283 -3.099 -20.625 510 HE3 LYS 61 HE2 LYS 61 0.092 -1.715 -19.527 511 HZ1 LYS 61 HZ1 LYS 61 2.200 -1.659 -20.669 512 HZ2 LYS 61 HZ2 LYS 61 2.443 -1.853 -19.047 513 HZ3 LYS 61 HZ3 LYS 61 2.620 -3.137 -20.067 514 H ASN 62 H ASN 62 1.629 -4.552 -14.799 515 HA ASN 62 HA ASN 62 2.905 -6.303 -16.836 516 HB2 ASN 62 HB1 ASN 62 3.818 -4.170 -14.947 517 HB3 ASN 62 HB2 ASN 62 4.964 -5.465 -15.356 518 HD21 ASN 62 HD21 ASN 62 6.289 -3.773 -16.177 519 HD22 ASN 62 HD22 ASN 62 6.019 -3.143 -17.788 520 H SER 63 H SER 63 3.240 -5.801 -13.261 521 HA SER 63 HA SER 63 2.554 -7.063 -11.568 522 HB2 SER 63 HB1 SER 63 0.884 -8.620 -11.780 523 HB3 SER 63 HB2 SER 63 0.706 -7.638 -13.254 524 HG SER 63 HG SER 63 0.543 -9.888 -13.659 525 H ASP 64 H ASP 64 4.855 -8.368 -13.718 526 HA ASP 64 HA ASP 64 5.511 -10.652 -11.915 527 HB2 ASP 64 HB1 ASP 64 5.556 -10.407 -14.926 528 HB3 ASP 64 HB2 ASP 64 6.540 -11.619 -14.077 529 H GLN 65 H GLN 65 6.234 -8.372 -11.148 530 HA GLN 65 HA GLN 65 9.138 -8.023 -11.655 531 HB2 GLN 65 HB1 GLN 65 6.877 -5.983 -11.515 532 HB3 GLN 65 HB2 GLN 65 8.591 -5.550 -11.309 533 HG2 GLN 65 HG1 GLN 65 9.001 -6.548 -13.611 534 HG3 GLN 65 HG2 GLN 65 7.237 -6.652 -13.792 535 HE21 GLN 65 HE12 GLN 65 9.676 -4.176 -12.721 536 HE22 GLN 65 HE22 GLN 65 8.948 -2.863 -13.616 537 H GLU 66 H GLU 66 10.255 -7.782 -9.736 538 HA GLU 66 HA GLU 66 8.759 -7.836 -7.234 539 HB2 GLU 66 HB1 GLU 66 11.739 -7.738 -7.780 540 HB3 GLU 66 HB2 GLU 66 11.010 -7.821 -6.159 541 HG2 GLU 66 HG1 GLU 66 9.986 -10.009 -6.769 542 HG3 GLU 66 HG2 GLU 66 10.813 -9.930 -8.340 543 H ILE 67 H ILE 67 9.095 -6.399 -5.515 544 HA ILE 67 HA ILE 67 10.172 -3.718 -6.034 545 HB ILE 67 HB ILE 67 7.986 -2.951 -4.697 546 HG12 ILE 67 HG13 ILE 67 6.788 -5.047 -6.514 547 HG13 ILE 67 HG12 ILE 67 7.087 -5.347 -4.785 548 HG21 ILE 67 HG21 ILE 67 7.062 -2.181 -6.853 549 HG22 ILE 67 HG22 ILE 67 8.831 -1.998 -6.794 550 HG23 ILE 67 HG23 ILE 67 8.105 -3.340 -7.708 551 HD11 ILE 67 HD11 ILE 67 4.754 -4.645 -5.178 552 HD12 ILE 67 HD12 ILE 67 5.636 -3.448 -4.205 553 HD13 ILE 67 HD13 ILE 67 5.339 -3.147 -5.934 554 H ASP 68 H ASP 68 10.863 -2.648 -4.303 555 HA ASP 68 HA ASP 68 11.142 -3.919 -1.673 556 HB2 ASP 68 HB1 ASP 68 13.157 -3.036 -2.317 557 HB3 ASP 68 HB2 ASP 68 12.413 -1.721 -3.249 558 H PHE 69 H PHE 69 10.881 -2.557 0.236 559 HA PHE 69 HA PHE 69 8.299 -1.886 0.874 560 HB2 PHE 69 HB1 PHE 69 10.633 -2.200 2.168 561 HB3 PHE 69 HB2 PHE 69 10.550 -0.430 2.212 562 HD1 PHE 69 HD2 PHE 69 8.342 0.616 3.221 563 HD2 PHE 69 HD1 PHE 69 9.530 -3.485 3.750 564 HE1 PHE 69 HE2 PHE 69 7.008 0.510 5.315 565 HE2 PHE 69 HE1 PHE 69 8.133 -3.619 5.795 566 HZ PHE 69 HZ PHE 69 6.919 -1.612 6.613 567 H LYS 70 H LYS 70 10.542 0.252 -0.842 568 HA LYS 70 HA LYS 70 9.322 2.739 0.034 569 HB2 LYS 70 HB1 LYS 70 11.279 1.939 -2.150 570 HB3 LYS 70 HB2 LYS 70 10.785 3.623 -1.855 571 HG2 LYS 70 HG1 LYS 70 11.721 3.620 0.343 572 HG3 LYS 70 HG2 LYS 70 11.912 1.850 0.337 573 HD2 LYS 70 HD1 LYS 70 13.507 2.418 -1.754 574 HD3 LYS 70 HD2 LYS 70 13.650 3.966 -0.887 575 HE2 LYS 70 HE1 LYS 70 14.244 2.789 1.185 576 HE3 LYS 70 HE2 LYS 70 14.003 1.217 0.389 577 HZ1 LYS 70 HZ1 LYS 70 16.312 1.805 0.518 578 HZ2 LYS 70 HZ2 LYS 70 15.828 1.743 -1.056 579 HZ3 LYS 70 HZ3 LYS 70 16.051 3.201 -0.319 580 H GLU 71 H GLU 71 9.227 0.808 -2.986 581 HA GLU 71 HA GLU 71 7.259 2.289 -4.390 582 HB2 GLU 71 HB1 GLU 71 8.207 -0.579 -4.346 583 HB3 GLU 71 HB2 GLU 71 6.802 -0.119 -5.338 584 HG2 GLU 71 HG1 GLU 71 9.072 1.747 -5.598 585 HG3 GLU 71 HG2 GLU 71 9.469 0.090 -6.106 586 H TYR 72 H TYR 72 7.004 -0.270 -1.914 587 HA TYR 72 HA TYR 72 4.140 -0.400 -1.882 588 HB2 TYR 72 HB1 TYR 72 5.198 -2.199 -0.940 589 HB3 TYR 72 HB2 TYR 72 6.400 -1.202 -0.105 590 HD1 TYR 72 HD2 TYR 72 2.638 -1.632 0.018 591 HD2 TYR 72 HD1 TYR 72 6.317 -1.193 2.198 592 HE1 TYR 72 HE2 TYR 72 1.467 -2.279 2.104 593 HE2 TYR 72 HE1 TYR 72 5.129 -1.730 4.310 594 HH TYR 72 HH TYR 72 1.678 -2.760 4.329 595 H SER 73 H SER 73 6.445 1.625 -0.027 596 HA SER 73 HA SER 73 4.493 2.930 1.578 597 HB2 SER 73 HB1 SER 73 6.900 2.813 2.115 598 HB3 SER 73 HB2 SER 73 7.252 3.878 0.733 599 HG SER 73 HG SER 73 7.076 5.021 2.716 600 H VAL 74 H VAL 74 6.097 4.096 -1.508 601 HA VAL 74 HA VAL 74 4.523 6.456 -1.614 602 HB VAL 74 HB VAL 74 5.016 6.666 -3.969 603 HG11 VAL 74 HG11 VAL 74 7.462 6.880 -3.807 604 HG12 VAL 74 HG12 VAL 74 6.648 7.434 -2.328 605 HG13 VAL 74 HG13 VAL 74 7.448 5.844 -2.365 606 HG21 VAL 74 HG21 VAL 74 6.453 5.106 -5.213 607 HG22 VAL 74 HG22 VAL 74 6.412 3.988 -3.836 608 HG23 VAL 74 HG23 VAL 74 4.918 4.357 -4.731 609 H PHE 75 H PHE 75 3.803 3.113 -2.785 610 HA PHE 75 HA PHE 75 1.433 3.969 -4.171 611 HB2 PHE 75 HB1 PHE 75 2.706 1.791 -4.495 612 HB3 PHE 75 HB2 PHE 75 1.927 1.222 -3.009 613 HD1 PHE 75 HD1 PHE 75 -0.613 1.000 -2.935 614 HD2 PHE 75 HD2 PHE 75 1.489 2.071 -6.535 615 HE1 PHE 75 HE1 PHE 75 -2.571 0.291 -4.298 616 HE2 PHE 75 HE2 PHE 75 -0.461 1.363 -7.890 617 HZ PHE 75 HZ PHE 75 -2.469 0.422 -6.777 618 H LEU 76 H LEU 76 1.871 2.508 -0.836 619 HA LEU 76 HA LEU 76 -0.796 2.759 0.001 620 HB2 LEU 76 HB1 LEU 76 1.847 2.999 1.441 621 HB3 LEU 76 HB2 LEU 76 0.304 3.199 2.304 622 HG LEU 76 HG LEU 76 1.291 0.690 0.908 623 HD11 LEU 76 HD11 LEU 76 1.396 -0.128 3.251 624 HD12 LEU 76 HD12 LEU 76 2.419 1.314 3.033 625 HD13 LEU 76 HD13 LEU 76 0.838 1.461 3.835 626 HD21 LEU 76 HD21 LEU 76 -0.702 -0.422 1.862 627 HD22 LEU 76 HD22 LEU 76 -1.288 1.145 2.462 628 HD23 LEU 76 HD23 LEU 76 -1.164 0.851 0.711 629 H THR 77 H THR 77 1.787 5.230 -0.053 630 HA THR 77 HA THR 77 0.315 7.259 1.364 631 HB THR 77 HB THR 77 2.752 7.444 -0.441 632 HG1 THR 77 HG1 THR 77 3.804 7.451 1.605 633 HG21 THR 77 HG21 THR 77 3.207 9.544 0.793 634 HG22 THR 77 HG22 THR 77 1.661 9.638 -0.080 635 HG23 THR 77 HG23 THR 77 1.676 9.351 1.677 636 H MET 78 H MET 78 1.147 6.845 -2.101 637 HA MET 78 HA MET 78 -0.392 8.905 -3.224 638 HB2 MET 78 HB1 MET 78 1.300 7.633 -4.427 639 HB3 MET 78 HB2 MET 78 0.344 6.142 -4.257 640 HG2 MET 78 HG1 MET 78 -1.287 6.895 -5.795 641 HG3 MET 78 HG2 MET 78 -0.670 8.555 -5.758 642 HE1 MET 78 HE1 MET 78 1.730 5.049 -7.676 643 HE2 MET 78 HE2 MET 78 1.624 5.340 -5.925 644 HE3 MET 78 HE3 MET 78 0.185 4.816 -6.830 645 H LEU 79 H LEU 79 -1.355 5.586 -2.358 646 HA LEU 79 HA LEU 79 -4.021 5.694 -3.377 647 HB2 LEU 79 HB1 LEU 79 -2.882 3.614 -3.019 648 HB3 LEU 79 HB2 LEU 79 -2.593 4.001 -1.306 649 HG LEU 79 HG LEU 79 -4.948 3.761 -0.807 650 HD11 LEU 79 HD11 LEU 79 -6.563 3.007 -2.523 651 HD12 LEU 79 HD12 LEU 79 -5.876 4.593 -2.937 652 HD13 LEU 79 HD13 LEU 79 -5.296 3.127 -3.765 653 HD21 LEU 79 HD21 LEU 79 -5.196 1.340 -1.277 654 HD22 LEU 79 HD22 LEU 79 -3.915 1.450 -2.507 655 HD23 LEU 79 HD23 LEU 79 -3.530 1.733 -0.792 656 H CYS 80 H CYS 80 -2.716 6.150 -0.011 657 HA CYS 80 HA CYS 80 -5.175 6.796 1.216 658 HB2 CYS 80 HB1 CYS 80 -2.922 6.296 2.266 659 HB3 CYS 80 HB2 CYS 80 -2.438 7.961 1.857 660 HG CYS 80 HG CYS 80 -3.057 7.812 4.394 661 H MET 81 H MET 81 -2.840 8.950 -0.434 662 HA MET 81 HA MET 81 -4.646 11.224 -0.246 663 HB2 MET 81 HB1 MET 81 -1.814 10.791 -0.984 664 HB3 MET 81 HB2 MET 81 -2.641 12.153 -1.777 665 HG2 MET 81 HG1 MET 81 -1.521 12.808 0.321 666 HG3 MET 81 HG2 MET 81 -3.267 13.101 0.339 667 HE1 MET 81 HE1 MET 81 -0.904 10.160 2.978 668 HE2 MET 81 HE2 MET 81 -0.886 10.039 1.203 669 HE3 MET 81 HE3 MET 81 -0.229 11.487 2.004 670 H ALA 82 H ALA 82 -5.054 8.650 -2.150 671 HA ALA 82 HA ALA 82 -5.659 9.996 -4.664 672 HB1 ALA 82 HB1 ALA 82 -6.550 7.792 -5.351 673 HB2 ALA 82 HB2 ALA 82 -4.928 7.643 -4.637 674 HB3 ALA 82 HB3 ALA 82 -6.365 7.200 -3.686 675 H TYR 83 H TYR 83 -7.189 10.118 -1.703 676 HA TYR 83 HA TYR 83 -9.758 10.885 -2.730 677 HB2 TYR 83 HB1 TYR 83 -11.062 9.036 -1.720 678 HB3 TYR 83 HB2 TYR 83 -10.018 8.515 -3.055 679 HD1 TYR 83 HD1 TYR 83 -10.159 8.607 0.720 680 HD2 TYR 83 HD2 TYR 83 -8.645 6.663 -2.806 681 HE1 TYR 83 HE1 TYR 83 -9.194 6.812 2.134 682 HE2 TYR 83 HE2 TYR 83 -7.641 4.887 -1.396 683 HH TYR 83 HH TYR 83 -7.298 4.093 0.717 684 H ASN 84 H ASN 84 -7.538 11.354 -0.359 685 HA ASN 84 HA ASN 84 -9.194 11.226 1.972 686 HB2 ASN 84 HB1 ASN 84 -7.386 12.317 3.153 687 HB3 ASN 84 HB2 ASN 84 -6.811 10.972 2.145 688 HD21 ASN 84 HD21 ASN 84 -5.398 13.354 3.295 689 HD22 ASN 84 HD22 ASN 84 -4.617 14.115 1.921 690 H ASP 85 H ASP 85 -9.575 13.026 3.435 691 HA ASP 85 HA ASP 85 -10.377 15.603 2.432 692 HB2 ASP 85 HB1 ASP 85 -12.774 15.316 2.620 693 HB3 ASP 85 HB2 ASP 85 -12.122 14.196 1.405 694 H PHE 86 H PHE 86 -11.984 16.524 4.276 695 HA PHE 86 HA PHE 86 -12.398 17.144 6.388 696 HB2 PHE 86 HB1 PHE 86 -12.654 14.638 6.752 697 HB3 PHE 86 HB2 PHE 86 -11.017 14.664 7.428 698 HD1 PHE 86 HD2 PHE 86 -10.551 15.890 9.558 699 HD2 PHE 86 HD1 PHE 86 -14.542 15.478 7.993 700 HE1 PHE 86 HE2 PHE 86 -11.485 16.527 11.769 701 HE2 PHE 86 HE1 PHE 86 -15.476 16.087 10.214 702 HZ PHE 86 HZ PHE 86 -13.947 16.609 12.105 703 H PHE 87 H PHE 87 -9.057 15.957 5.926 704 HA PHE 87 HA PHE 87 -7.954 17.918 7.791 705 HB2 PHE 87 HB1 PHE 87 -6.171 16.498 5.900 706 HB3 PHE 87 HB2 PHE 87 -6.019 16.748 7.648 707 HD1 PHE 87 HD2 PHE 87 -7.838 15.291 9.074 708 HD2 PHE 87 HD1 PHE 87 -6.299 14.340 5.163 709 HE1 PHE 87 HE2 PHE 87 -8.364 12.891 9.445 710 HE2 PHE 87 HE1 PHE 87 -6.799 11.936 5.550 711 HZ PHE 87 HZ PHE 87 -7.841 11.212 7.690 712 H LEU 88 H LEU 88 -9.171 18.333 4.747 713 HA LEU 88 HA LEU 88 -6.795 19.246 3.312 714 HB2 LEU 88 HB1 LEU 88 -9.666 18.563 2.731 715 HB3 LEU 88 HB2 LEU 88 -8.731 19.490 1.534 716 HG LEU 88 HG LEU 88 -8.899 16.932 1.301 717 HD11 LEU 88 HD11 LEU 88 -6.633 16.830 0.314 718 HD12 LEU 88 HD12 LEU 88 -7.427 18.378 -0.038 719 HD13 LEU 88 HD13 LEU 88 -6.179 18.284 1.227 720 HD21 LEU 88 HD21 LEU 88 -7.106 15.588 2.358 721 HD22 LEU 88 HD22 LEU 88 -6.640 16.997 3.331 722 HD23 LEU 88 HD23 LEU 88 -8.233 16.236 3.562 723 H GLU 89 H GLU 89 -7.083 21.201 1.822 724 HA GLU 89 HA GLU 89 -8.121 23.541 3.310 725 HB2 GLU 89 HB1 GLU 89 -6.036 23.004 1.305 726 HB3 GLU 89 HB2 GLU 89 -7.025 24.433 0.921 727 HG2 GLU 89 HG1 GLU 89 -4.972 24.985 2.180 728 HG3 GLU 89 HG2 GLU 89 -6.457 25.463 3.028 729 H ASP 90 H ASP 90 -8.592 21.765 0.210 730 HA ASP 90 HA ASP 90 -11.241 22.948 -0.125 731 HB2 ASP 90 HB1 ASP 90 -10.597 23.760 -2.458 732 HB3 ASP 90 HB2 ASP 90 -10.040 24.726 -1.075 733 H ASN 91 H ASN 91 -8.693 20.968 -1.494 734 HA ASN 91 HA ASN 91 -10.065 18.578 -1.840 735 HB2 ASN 91 HB1 ASN 91 -11.093 20.064 -3.766 736 HB3 ASN 91 HB2 ASN 91 -9.570 19.663 -4.588 737 HD21 ASN 91 HD21 ASN 91 -9.168 16.982 -3.825 738 HD22 ASN 91 HD22 ASN 91 -10.490 15.997 -4.440 739 H LYS 92 H LYS 92 -7.261 20.667 -3.087 740 HA LYS 92 HA LYS 92 -5.818 18.538 -1.579 741 HB2 LYS 92 HB1 LYS 92 -3.734 19.555 -2.376 742 HB3 LYS 92 HB2 LYS 92 -4.765 18.873 -3.656 743 HG2 LYS 92 HG1 LYS 92 -3.842 20.816 -4.571 744 HG3 LYS 92 HG2 LYS 92 -5.509 21.255 -4.132 745 HD2 LYS 92 HD1 LYS 92 -3.612 21.826 -1.982 746 HD3 LYS 92 HD2 LYS 92 -3.192 22.663 -3.496 747 HE2 LYS 92 HE1 LYS 92 -4.757 24.187 -3.084 748 HE3 LYS 92 HE2 LYS 92 -6.002 22.920 -3.135 749 HZ1 LYS 92 HZ1 LYS 92 -6.060 24.139 -1.087 750 HZ2 LYS 92 HZ2 LYS 92 -5.650 22.570 -0.804 751 HZ3 LYS 92 HZ3 LYS 92 -4.495 23.747 -0.757 752 HA MET 1 HA MET 1 -11.563 2.641 7.577 753 HB2 MET 1 HB1 MET 1 -14.002 0.999 6.993 754 HB3 MET 1 HB2 MET 1 -13.848 1.783 8.583 755 HG2 MET 1 HG1 MET 1 -15.091 3.103 6.830 756 HG3 MET 1 HG2 MET 1 -13.754 3.944 7.630 757 HE1 MET 1 HE1 MET 1 -11.562 5.202 4.895 758 HE2 MET 1 HE2 MET 1 -12.581 5.665 6.275 759 HE3 MET 1 HE3 MET 1 -11.355 4.389 6.462 760 H GLU 2 H GLU 2 -10.564 2.305 9.435 761 HA GLU 2 HA GLU 2 -9.842 1.534 11.375 762 HB2 GLU 2 HB1 GLU 2 -12.381 1.275 11.604 763 HB3 GLU 2 HB2 GLU 2 -12.065 -0.474 11.523 764 HG2 GLU 2 HG1 GLU 2 -12.144 0.318 13.852 765 HG3 GLU 2 HG2 GLU 2 -10.535 -0.311 13.429 766 H THR 3 H THR 3 -9.391 -0.047 8.792 767 HA THR 3 HA THR 3 -8.271 -2.564 9.392 768 HB THR 3 HB THR 3 -7.767 -2.638 7.238 769 HG1 THR 3 HG1 THR 3 -6.469 -1.055 6.209 770 HG21 THR 3 HG21 THR 3 -8.750 -0.950 5.716 771 HG22 THR 3 HG22 THR 3 -9.858 -1.354 7.043 772 HG23 THR 3 HG23 THR 3 -8.930 0.165 7.084 773 HA PRO 4 HA PRO 4 -4.708 -1.597 11.738 774 HB2 PRO 4 HB1 PRO 4 -2.843 -3.468 10.967 775 HB3 PRO 4 HB2 PRO 4 -4.288 -3.842 11.962 776 HG2 PRO 4 HG1 PRO 4 -3.965 -4.164 8.973 777 HG3 PRO 4 HG2 PRO 4 -4.606 -5.362 10.145 778 HD2 PRO 4 HD1 PRO 4 -6.266 -3.784 8.671 779 HD3 PRO 4 HD2 PRO 4 -6.635 -4.140 10.386 780 H LEU 5 H LEU 5 -3.960 -2.080 8.208 781 HA LEU 5 HA LEU 5 -1.580 -0.447 8.351 782 HB2 LEU 5 HB1 LEU 5 -2.241 -2.286 6.708 783 HB3 LEU 5 HB2 LEU 5 -3.243 -1.049 5.912 784 HG LEU 5 HG LEU 5 -1.320 0.196 5.241 785 HD11 LEU 5 HD11 LEU 5 0.996 -0.501 5.776 786 HD12 LEU 5 HD12 LEU 5 0.099 -0.074 7.250 787 HD13 LEU 5 HD13 LEU 5 0.364 -1.784 6.833 788 HD21 LEU 5 HD21 LEU 5 -0.218 -1.542 3.844 789 HD22 LEU 5 HD22 LEU 5 -0.876 -2.814 4.903 790 HD23 LEU 5 HD23 LEU 5 -1.976 -1.814 3.925 791 H GLU 6 H GLU 6 -5.008 0.238 7.580 792 HA GLU 6 HA GLU 6 -4.754 2.966 6.928 793 HB2 GLU 6 HB1 GLU 6 -6.807 1.549 6.752 794 HB3 GLU 6 HB2 GLU 6 -6.976 1.658 8.521 795 HG2 GLU 6 HG1 GLU 6 -7.128 4.156 8.283 796 HG3 GLU 6 HG2 GLU 6 -7.143 3.938 6.519 797 H LYS 7 H LYS 7 -4.782 1.406 10.241 798 HA LYS 7 HA LYS 7 -4.712 3.949 11.569 799 HB2 LYS 7 HB1 LYS 7 -3.569 1.375 12.658 800 HB3 LYS 7 HB2 LYS 7 -4.110 2.805 13.568 801 HG2 LYS 7 HG1 LYS 7 -5.738 0.660 12.243 802 HG3 LYS 7 HG2 LYS 7 -5.750 1.206 13.937 803 HD2 LYS 7 HD1 LYS 7 -6.794 2.884 11.644 804 HD3 LYS 7 HD2 LYS 7 -7.804 1.756 12.579 805 HE2 LYS 7 HE1 LYS 7 -6.983 3.029 14.668 806 HE3 LYS 7 HE2 LYS 7 -6.397 4.268 13.537 807 HZ1 LYS 7 HZ1 LYS 7 -8.597 4.758 14.327 808 HZ2 LYS 7 HZ2 LYS 7 -8.630 4.474 12.703 809 HZ3 LYS 7 HZ3 LYS 7 -9.176 3.324 13.752 810 H ALA 8 H ALA 8 -2.146 1.928 10.136 811 HA ALA 8 HA ALA 8 0.033 3.477 11.157 812 HB1 ALA 8 HB1 ALA 8 1.353 2.373 9.402 813 HB2 ALA 8 HB2 ALA 8 0.326 1.214 10.277 814 HB3 ALA 8 HB3 ALA 8 -0.145 1.771 8.654 815 H LEU 9 H LEU 9 -1.708 3.690 7.944 816 HA LEU 9 HA LEU 9 -0.369 6.004 7.044 817 HB2 LEU 9 HB1 LEU 9 -3.081 4.829 6.518 818 HB3 LEU 9 HB2 LEU 9 -2.700 6.459 5.911 819 HG LEU 9 HG LEU 9 -2.388 4.887 4.154 820 HD11 LEU 9 HD11 LEU 9 -0.029 5.266 3.529 821 HD12 LEU 9 HD12 LEU 9 -0.764 6.721 4.233 822 HD13 LEU 9 HD13 LEU 9 0.336 5.718 5.208 823 HD21 LEU 9 HD21 LEU 9 -0.813 2.998 4.247 824 HD22 LEU 9 HD22 LEU 9 -0.471 3.374 5.949 825 HD23 LEU 9 HD23 LEU 9 -2.098 2.843 5.463 826 H THR 10 H THR 10 -3.413 5.750 8.944 827 HA THR 10 HA THR 10 -4.013 8.452 9.280 828 HB THR 10 HB THR 10 -4.409 6.204 11.288 829 HG1 THR 10 HG1 THR 10 -6.438 6.084 10.221 830 HG21 THR 10 HG21 THR 10 -6.341 7.550 12.062 831 HG22 THR 10 HG22 THR 10 -4.816 8.442 12.263 832 HG23 THR 10 HG23 THR 10 -5.905 8.831 10.908 833 H THR 11 H THR 11 -1.912 6.391 11.383 834 HA THR 11 HA THR 11 -1.314 8.461 13.259 835 HB THR 11 HB THR 11 0.232 5.956 12.520 836 HG1 THR 11 HG1 THR 11 -0.850 5.233 14.415 837 HG21 THR 11 HG21 THR 11 1.281 6.169 14.757 838 HG22 THR 11 HG22 THR 11 1.688 7.555 13.724 839 HG23 THR 11 HG23 THR 11 0.452 7.723 14.993 840 H MET 12 H MET 12 0.428 7.324 10.339 841 HA MET 12 HA MET 12 2.641 9.081 10.506 842 HB2 MET 12 HB1 MET 12 2.414 6.980 9.187 843 HB3 MET 12 HB2 MET 12 1.294 7.822 8.088 844 HG2 MET 12 HG1 MET 12 3.111 9.466 7.605 845 HG3 MET 12 HG2 MET 12 4.209 8.478 8.581 846 HE1 MET 12 HE1 MET 12 4.822 5.295 6.503 847 HE2 MET 12 HE2 MET 12 5.411 6.362 7.797 848 HE3 MET 12 HE3 MET 12 3.838 5.544 7.964 849 H VAL 13 H VAL 13 -0.440 9.486 8.625 850 HA VAL 13 HA VAL 13 0.292 12.070 7.678 851 HB VAL 13 HB VAL 13 -1.967 12.408 6.940 852 HG11 VAL 13 HG11 VAL 13 -2.114 10.543 5.337 853 HG12 VAL 13 HG12 VAL 13 -0.441 11.097 5.561 854 HG13 VAL 13 HG13 VAL 13 -0.996 9.598 6.345 855 HG21 VAL 13 HG21 VAL 13 -3.781 10.775 7.201 856 HG22 VAL 13 HG22 VAL 13 -2.754 9.826 8.294 857 HG23 VAL 13 HG23 VAL 13 -3.272 11.465 8.754 858 H THR 14 H THR 14 -1.381 11.066 10.674 859 HA THR 14 HA THR 14 -2.293 13.723 11.345 860 HB THR 14 HB THR 14 -1.779 11.340 13.160 861 HG1 THR 14 HG1 THR 14 -4.046 11.101 12.828 862 HG21 THR 14 HG21 THR 14 -3.442 12.425 14.656 863 HG22 THR 14 HG22 THR 14 -2.021 13.465 14.422 864 HG23 THR 14 HG23 THR 14 -3.531 13.809 13.543 865 H THR 15 H THR 15 0.568 11.796 12.232 866 HA THR 15 HA THR 15 1.765 13.663 14.011 867 HB THR 15 HB THR 15 3.084 11.528 12.300 868 HG1 THR 15 HG1 THR 15 2.661 10.248 14.179 869 HG21 THR 15 HG21 THR 15 4.673 11.371 14.200 870 HG22 THR 15 HG22 THR 15 4.677 13.002 13.497 871 HG23 THR 15 HG23 THR 15 3.811 12.690 15.020 872 H PHE 16 H PHE 16 1.973 13.302 10.495 873 HA PHE 16 HA PHE 16 3.851 15.421 9.989 874 HB2 PHE 16 HB1 PHE 16 3.394 13.589 8.463 875 HB3 PHE 16 HB2 PHE 16 1.686 14.050 8.366 876 HD1 PHE 16 HD2 PHE 16 0.960 15.923 6.984 877 HD2 PHE 16 HD1 PHE 16 5.101 14.764 7.150 878 HE1 PHE 16 HE2 PHE 16 1.378 17.101 4.844 879 HE2 PHE 16 HE1 PHE 16 5.501 15.883 4.969 880 HZ PHE 16 HZ PHE 16 3.634 17.045 3.801 881 H HIS 17 H HIS 17 0.238 15.316 9.809 882 HA HIS 17 HA HIS 17 -0.193 17.938 8.948 883 HB2 HIS 17 HB1 HIS 17 -1.816 15.850 10.329 884 HB3 HIS 17 HB2 HIS 17 -2.444 17.508 10.370 885 HD1 HIS 17 HD1 HIS 17 -1.492 14.826 7.734 886 HD2 HIS 17 HD2 HIS 17 -3.681 18.369 8.236 887 HE1 HIS 17 HE1 HIS 17 -2.817 15.172 5.580 888 HE2 HIS 17 HE2 HIS 17 -4.155 17.346 5.851 889 H LYS 18 H LYS 18 0.349 16.835 12.300 890 HA LYS 18 HA LYS 18 -0.173 19.010 13.879 891 HB2 LYS 18 HB1 LYS 18 0.847 16.838 14.484 892 HB3 LYS 18 HB2 LYS 18 2.375 17.358 13.730 893 HG2 LYS 18 HG1 LYS 18 1.128 18.686 16.147 894 HG3 LYS 18 HG2 LYS 18 2.356 17.401 16.223 895 HD2 LYS 18 HD1 LYS 18 3.513 19.253 14.523 896 HD3 LYS 18 HD2 LYS 18 2.654 20.278 15.696 897 HE2 LYS 18 HE1 LYS 18 3.824 19.208 17.550 898 HE3 LYS 18 HE2 LYS 18 4.611 18.069 16.435 899 HZ1 LYS 18 HZ1 LYS 18 6.047 19.897 16.998 900 HZ2 LYS 18 HZ2 LYS 18 5.686 19.937 15.388 901 HZ3 LYS 18 HZ3 LYS 18 4.957 20.994 16.422 902 H TYR 19 H TYR 19 2.538 18.801 11.543 903 HA TYR 19 HA TYR 19 3.485 21.511 12.213 904 HB2 TYR 19 HB1 TYR 19 4.462 19.332 10.329 905 HB3 TYR 19 HB2 TYR 19 5.268 20.895 10.551 906 HD1 TYR 19 HD1 TYR 19 4.346 17.710 12.255 907 HD2 TYR 19 HD2 TYR 19 6.776 21.264 12.386 908 HE1 TYR 19 HE1 TYR 19 5.649 16.748 14.136 909 HE2 TYR 19 HE2 TYR 19 8.171 20.247 14.177 910 HH TYR 19 HH TYR 19 8.461 18.445 15.563 911 H SER 20 H SER 20 1.733 19.813 9.630 912 HA SER 20 HA SER 20 2.396 21.505 7.471 913 HB2 SER 20 HB1 SER 20 -0.054 19.758 7.906 914 HB3 SER 20 HB2 SER 20 0.629 20.262 6.341 915 HG SER 20 HG SER 20 1.285 18.145 6.958 916 H GLY 21 H GLY 21 0.163 22.271 10.014 917 HA2 GLY 21 HA2 GLY 21 -0.692 24.038 8.236 918 H ARG 22 H ARG 22 0.837 24.696 7.402 919 HA ARG 22 HA ARG 22 1.636 27.349 8.476 920 HB2 ARG 22 HB1 ARG 22 2.903 25.319 6.711 921 HB3 ARG 22 HB2 ARG 22 3.126 27.017 6.227 922 HG2 ARG 22 HG1 ARG 22 5.022 26.417 7.485 923 HG3 ARG 22 HG2 ARG 22 4.025 27.460 8.526 924 HD2 ARG 22 HD1 ARG 22 4.026 24.444 8.750 925 HD3 ARG 22 HD2 ARG 22 5.165 25.481 9.635 926 HE ARG 22 HE ARG 22 2.333 26.168 9.919 927 HH11 ARG 22 HH12 ARG 22 5.071 24.507 11.420 928 HH12 ARG 22 HH11 ARG 22 4.271 24.410 12.968 929 HH21 ARG 22 HH22 ARG 22 1.348 25.970 11.851 930 HH22 ARG 22 HH21 ARG 22 2.177 25.234 13.208 931 H GLU 23 H GLU 23 1.190 26.097 5.139 932 HA GLU 23 HA GLU 23 -0.775 28.127 4.391 933 HB2 GLU 23 HB1 GLU 23 2.153 28.280 3.567 934 HB3 GLU 23 HB2 GLU 23 0.846 29.097 2.678 935 HG2 GLU 23 HG1 GLU 23 0.271 30.334 4.784 936 HG3 GLU 23 HG2 GLU 23 1.698 29.605 5.552 937 H GLY 24 H GLY 24 -1.471 27.813 2.147 938 HA2 GLY 24 HA2 GLY 24 -2.102 26.712 0.835 939 H SER 25 H SER 25 -0.791 24.289 2.400 940 HA SER 25 HA SER 25 -3.234 22.829 2.094 941 HB2 SER 25 HB1 SER 25 -2.300 22.231 -0.109 942 HB3 SER 25 HB2 SER 25 -0.775 21.725 0.659 943 HG SER 25 HG SER 25 -2.188 19.961 0.238 944 H LYS 26 H LYS 26 -3.431 21.523 3.912 945 HA LYS 26 HA LYS 26 -1.127 21.200 5.653 946 HB2 LYS 26 HB1 LYS 26 -3.999 20.280 5.898 947 HB3 LYS 26 HB2 LYS 26 -2.756 20.055 7.153 948 HG2 LYS 26 HG1 LYS 26 -2.390 22.489 7.240 949 HG3 LYS 26 HG2 LYS 26 -3.610 22.725 5.966 950 HD2 LYS 26 HD1 LYS 26 -4.066 21.776 8.801 951 HD3 LYS 26 HD2 LYS 26 -4.549 23.333 8.086 952 HE2 LYS 26 HE1 LYS 26 -5.692 20.589 7.481 953 HE3 LYS 26 HE2 LYS 26 -6.501 21.944 8.300 954 HZ1 LYS 26 HZ1 LYS 26 -7.185 21.747 6.020 955 HZ2 LYS 26 HZ2 LYS 26 -6.384 23.168 6.252 956 HZ3 LYS 26 HZ3 LYS 26 -5.633 21.912 5.493 957 H LEU 27 H LEU 27 -2.030 19.532 2.905 958 HA LEU 27 HA LEU 27 -0.670 17.055 3.610 959 HB2 LEU 27 HB1 LEU 27 -1.234 18.175 0.855 960 HB3 LEU 27 HB2 LEU 27 -0.882 16.488 1.295 961 HG LEU 27 HG LEU 27 -3.404 18.056 1.914 962 HD11 LEU 27 HD11 LEU 27 -4.445 16.371 0.423 963 HD12 LEU 27 HD12 LEU 27 -3.159 17.269 -0.418 964 HD13 LEU 27 HD13 LEU 27 -2.854 15.616 0.168 965 HD21 LEU 27 HD21 LEU 27 -4.301 15.965 2.882 966 HD22 LEU 27 HD22 LEU 27 -2.721 15.187 2.659 967 HD23 LEU 27 HD23 LEU 27 -2.891 16.547 3.794 968 H THR 28 H THR 28 0.464 20.214 3.172 969 HA THR 28 HA THR 28 3.178 19.189 2.538 970 HB THR 28 HB THR 28 3.726 21.265 1.412 971 HG1 THR 28 HG1 THR 28 2.035 22.722 0.888 972 HG21 THR 28 HG21 THR 28 2.369 21.002 -0.647 973 HG22 THR 28 HG22 THR 28 2.843 19.427 0.026 974 HG23 THR 28 HG23 THR 28 1.189 20.041 0.268 975 H LEU 29 H LEU 29 4.943 20.647 3.311 976 HA LEU 29 HA LEU 29 4.497 22.542 5.446 977 HB2 LEU 29 HB1 LEU 29 5.210 21.415 7.302 978 HB3 LEU 29 HB2 LEU 29 4.219 20.191 6.472 979 HG LEU 29 HG LEU 29 7.242 20.308 6.631 980 HD11 LEU 29 HD11 LEU 29 6.966 18.172 7.862 981 HD12 LEU 29 HD12 LEU 29 6.089 19.496 8.664 982 HD13 LEU 29 HD13 LEU 29 5.201 18.303 7.686 983 HD21 LEU 29 HD21 LEU 29 7.256 18.157 5.410 984 HD22 LEU 29 HD22 LEU 29 5.495 18.272 5.199 985 HD23 LEU 29 HD23 LEU 29 6.567 19.459 4.417 986 H SER 30 H SER 30 6.968 23.178 6.364 987 HA SER 30 HA SER 30 8.485 23.668 3.948 988 HB2 SER 30 HB1 SER 30 9.157 25.349 5.209 989 HB3 SER 30 HB2 SER 30 8.600 24.546 6.698 990 HG SER 30 HG SER 30 10.855 24.997 6.718 991 H ARG 31 H ARG 31 10.712 22.936 3.393 992 HA ARG 31 HA ARG 31 11.110 20.113 3.884 993 HB2 ARG 31 HB1 ARG 31 11.524 20.978 1.731 994 HB3 ARG 31 HB2 ARG 31 12.629 22.223 2.363 995 HG2 ARG 31 HG1 ARG 31 14.383 20.712 2.644 996 HG3 ARG 31 HG2 ARG 31 13.297 19.301 2.690 997 HD2 ARG 31 HD1 ARG 31 12.724 20.131 0.212 998 HD3 ARG 31 HD2 ARG 31 14.343 20.849 0.337 999 HE ARG 31 HE ARG 31 15.251 18.587 0.626 1000 HH11 ARG 31 HH12 ARG 31 12.082 18.890 -0.857 1001 HH12 ARG 31 HH11 ARG 31 12.078 17.260 -1.478 1002 HH21 ARG 31 HH22 ARG 31 15.116 16.377 -0.122 1003 HH22 ARG 31 HH21 ARG 31 13.745 15.877 -1.075 1004 H LYS 32 H LYS 32 12.501 22.994 5.399 1005 HA LYS 32 HA LYS 32 14.395 21.511 7.030 1006 HB2 LYS 32 HB1 LYS 32 13.925 24.217 6.366 1007 HB3 LYS 32 HB2 LYS 32 13.608 24.087 8.113 1008 HG2 LYS 32 HG1 LYS 32 15.811 22.896 8.367 1009 HG3 LYS 32 HG2 LYS 32 16.131 23.204 6.644 1010 HD2 LYS 32 HD1 LYS 32 15.838 25.661 7.100 1011 HD3 LYS 32 HD2 LYS 32 15.717 25.276 8.833 1012 HE2 LYS 32 HE1 LYS 32 17.966 25.833 8.636 1013 HE3 LYS 32 HE2 LYS 32 18.018 24.066 8.449 1014 HZ1 LYS 32 HZ1 LYS 32 19.338 25.175 6.798 1015 HZ2 LYS 32 HZ2 LYS 32 18.082 24.384 6.082 1016 HZ3 LYS 32 HZ3 LYS 32 18.033 26.024 6.255 1017 H GLU 33 H GLU 33 11.049 22.700 7.325 1018 HA GLU 33 HA GLU 33 10.609 21.810 10.000 1019 HB2 GLU 33 HB1 GLU 33 9.215 23.421 8.732 1020 HB3 GLU 33 HB2 GLU 33 8.656 22.084 7.699 1021 HG2 GLU 33 HG1 GLU 33 7.571 21.006 9.543 1022 HG3 GLU 33 HG2 GLU 33 8.325 22.111 10.713 1023 H LEU 34 H LEU 34 10.199 20.074 6.832 1024 HA LEU 34 HA LEU 34 9.428 17.562 7.851 1025 HB2 LEU 34 HB1 LEU 34 9.445 18.212 5.491 1026 HB3 LEU 34 HB2 LEU 34 11.223 18.262 5.510 1027 HG LEU 34 HG LEU 34 10.114 16.311 4.390 1028 HD11 LEU 34 HD11 LEU 34 11.766 14.653 5.089 1029 HD12 LEU 34 HD12 LEU 34 12.466 16.273 4.913 1030 HD13 LEU 34 HD13 LEU 34 12.113 15.622 6.532 1031 HD21 LEU 34 HD21 LEU 34 9.363 14.395 5.715 1032 HD22 LEU 34 HD22 LEU 34 9.565 15.352 7.196 1033 HD23 LEU 34 HD23 LEU 34 8.358 15.834 5.980 1034 H LYS 35 H LYS 35 12.802 18.872 7.407 1035 HA LYS 35 HA LYS 35 14.118 16.655 8.583 1036 HB2 LYS 35 HB1 LYS 35 15.111 18.620 7.285 1037 HB3 LYS 35 HB2 LYS 35 14.998 19.557 8.793 1038 HG2 LYS 35 HG1 LYS 35 16.210 16.983 9.333 1039 HG3 LYS 35 HG2 LYS 35 17.070 17.777 7.993 1040 HD2 LYS 35 HD1 LYS 35 16.468 19.209 10.605 1041 HD3 LYS 35 HD2 LYS 35 17.953 18.260 10.352 1042 HE2 LYS 35 HE1 LYS 35 18.563 19.614 8.432 1043 HE3 LYS 35 HE2 LYS 35 17.001 20.461 8.473 1044 HZ1 LYS 35 HZ1 LYS 35 18.753 21.782 9.405 1045 HZ2 LYS 35 HZ2 LYS 35 17.644 21.409 10.563 1046 HZ3 LYS 35 HZ3 LYS 35 19.092 20.623 10.526 1047 H GLU 36 H GLU 36 12.538 19.442 10.131 1048 HA GLU 36 HA GLU 36 13.532 18.900 12.776 1049 HB2 GLU 36 HB1 GLU 36 12.616 21.096 11.870 1050 HB3 GLU 36 HB2 GLU 36 10.994 20.375 12.001 1051 HG2 GLU 36 HG1 GLU 36 11.182 21.478 14.022 1052 HG3 GLU 36 HG2 GLU 36 11.707 19.835 14.447 1053 H LEU 37 H LEU 37 10.450 18.136 11.081 1054 HA LEU 37 HA LEU 37 8.996 16.890 13.056 1055 HB2 LEU 37 HB1 LEU 37 7.959 17.394 11.053 1056 HB3 LEU 37 HB2 LEU 37 9.224 16.607 10.078 1057 HG LEU 37 HG LEU 37 8.329 14.406 10.698 1058 HD11 LEU 37 HD11 LEU 37 6.094 14.185 11.741 1059 HD12 LEU 37 HD12 LEU 37 7.262 14.919 12.860 1060 HD13 LEU 37 HD13 LEU 37 6.062 15.936 12.026 1061 HD21 LEU 37 HD21 LEU 37 6.265 14.603 9.320 1062 HD22 LEU 37 HD22 LEU 37 6.260 16.362 9.582 1063 HD23 LEU 37 HD23 LEU 37 7.576 15.604 8.652 1064 H ILE 38 H ILE 38 11.220 15.183 10.814 1065 HA ILE 38 HA ILE 38 10.900 12.619 11.982 1066 HB ILE 38 HB ILE 38 12.843 11.977 10.582 1067 HG12 ILE 38 HG13 ILE 38 12.989 14.934 9.941 1068 HG13 ILE 38 HG12 ILE 38 14.196 13.981 10.835 1069 HG21 ILE 38 HG21 ILE 38 11.731 12.433 8.430 1070 HG22 ILE 38 HG22 ILE 38 10.557 11.993 9.693 1071 HG23 ILE 38 HG23 ILE 38 10.744 13.694 9.206 1072 HD11 ILE 38 HD11 ILE 38 14.915 14.368 8.501 1073 HD12 ILE 38 HD12 ILE 38 14.636 12.642 8.817 1074 HD13 ILE 38 HD13 ILE 38 13.427 13.593 7.921 1075 H LYS 39 H LYS 39 12.731 15.196 13.295 1076 HA LYS 39 HA LYS 39 14.274 13.286 14.960 1077 HB2 LYS 39 HB1 LYS 39 14.655 16.127 14.032 1078 HB3 LYS 39 HB2 LYS 39 15.472 15.557 15.508 1079 HG2 LYS 39 HG1 LYS 39 15.643 14.070 12.867 1080 HG3 LYS 39 HG2 LYS 39 16.777 15.371 13.304 1081 HD2 LYS 39 HD1 LYS 39 17.760 14.103 15.029 1082 HD3 LYS 39 HD2 LYS 39 16.375 12.991 15.132 1083 HE2 LYS 39 HE1 LYS 39 16.945 11.928 13.070 1084 HE3 LYS 39 HE2 LYS 39 18.087 13.217 12.634 1085 HZ1 LYS 39 HZ1 LYS 39 19.211 11.250 13.386 1086 HZ2 LYS 39 HZ2 LYS 39 19.488 12.495 14.430 1087 HZ3 LYS 39 HZ3 LYS 39 18.427 11.299 14.836 1088 H LYS 40 H LYS 40 11.380 15.046 15.083 1089 HA LYS 40 HA LYS 40 11.447 15.081 18.058 1090 HB2 LYS 40 HB1 LYS 40 9.987 16.679 15.968 1091 HB3 LYS 40 HB2 LYS 40 9.233 16.445 17.564 1092 HG2 LYS 40 HG1 LYS 40 10.419 18.562 17.485 1093 HG3 LYS 40 HG2 LYS 40 11.202 17.454 18.636 1094 HD2 LYS 40 HD1 LYS 40 13.110 17.354 17.459 1095 HD3 LYS 40 HD2 LYS 40 12.270 17.379 15.890 1096 HE2 LYS 40 HE1 LYS 40 13.296 19.328 15.705 1097 HE3 LYS 40 HE2 LYS 40 11.867 19.890 16.599 1098 HZ1 LYS 40 HZ1 LYS 40 13.867 20.878 17.408 1099 HZ2 LYS 40 HZ2 LYS 40 13.182 19.924 18.555 1100 HZ3 LYS 40 HZ3 LYS 40 14.509 19.402 17.725 1101 H GLU 41 H GLU 41 9.657 13.768 15.211 1102 HA GLU 41 HA GLU 41 7.559 12.809 16.956 1103 HB2 GLU 41 HB1 GLU 41 6.540 11.726 15.080 1104 HB3 GLU 41 HB2 GLU 41 6.851 13.463 14.845 1105 HG2 GLU 41 HG1 GLU 41 7.042 12.188 12.785 1106 HG3 GLU 41 HG2 GLU 41 8.571 12.974 13.232 1107 H LEU 42 H LEU 42 10.325 11.149 15.366 1108 HA LEU 42 HA LEU 42 9.776 8.883 17.194 1109 HB2 LEU 42 HB1 LEU 42 10.218 8.906 14.379 1110 HB3 LEU 42 HB2 LEU 42 11.632 8.143 15.147 1111 HG LEU 42 HG LEU 42 8.751 7.281 15.600 1112 HD11 LEU 42 HD11 LEU 42 9.337 5.355 14.144 1113 HD12 LEU 42 HD12 LEU 42 9.480 6.892 13.259 1114 HD13 LEU 42 HD13 LEU 42 10.942 6.066 13.851 1115 HD21 LEU 42 HD21 LEU 42 9.806 5.265 16.588 1116 HD22 LEU 42 HD22 LEU 42 11.414 5.968 16.302 1117 HD23 LEU 42 HD23 LEU 42 10.298 6.736 17.458 1118 H CYS 43 H CYS 43 11.482 7.790 17.973 1119 HA CYS 43 HA CYS 43 13.687 9.294 19.059 1120 HB2 CYS 43 HB1 CYS 43 14.017 7.239 20.321 1121 HB3 CYS 43 HB2 CYS 43 12.313 7.759 20.342 1122 HG CYS 43 HG CYS 43 12.444 5.144 20.287 1123 H LEU 44 H LEU 44 14.165 9.602 16.595 1124 HA LEU 44 HA LEU 44 16.118 7.621 15.609 1125 HB2 LEU 44 HB1 LEU 44 14.679 10.025 14.453 1126 HB3 LEU 44 HB2 LEU 44 16.019 9.222 13.601 1127 HG LEU 44 HG LEU 44 13.681 7.614 14.656 1128 HD11 LEU 44 HD11 LEU 44 12.542 7.868 12.486 1129 HD12 LEU 44 HD12 LEU 44 12.695 9.429 13.327 1130 HD13 LEU 44 HD13 LEU 44 13.781 9.037 11.971 1131 HD21 LEU 44 HD21 LEU 44 14.303 6.082 12.823 1132 HD22 LEU 44 HD22 LEU 44 15.580 7.211 12.312 1133 HD23 LEU 44 HD23 LEU 44 15.685 6.405 13.896 1134 H GLY 45 H GLY 45 16.099 10.362 17.602 1135 HA2 GLY 45 HA2 GLY 45 18.605 10.681 16.834 1136 H GLU 46 H GLU 46 17.721 8.919 19.395 1137 HA GLU 46 HA GLU 46 20.534 8.478 19.986 1138 HB2 GLU 46 HB1 GLU 46 19.845 6.970 21.657 1139 HB3 GLU 46 HB2 GLU 46 18.747 8.369 21.702 1140 HG2 GLU 46 HG1 GLU 46 17.846 5.987 20.158 1141 HG3 GLU 46 HG2 GLU 46 17.917 5.831 21.926 1142 H MET 47 H MET 47 19.246 7.733 17.178 1143 HA MET 47 HA MET 47 20.422 5.011 17.090 1144 HB2 MET 47 HB1 MET 47 17.793 5.808 15.797 1145 HB3 MET 47 HB2 MET 47 18.605 4.234 15.627 1146 HG2 MET 47 HG1 MET 47 18.490 4.210 18.241 1147 HG3 MET 47 HG2 MET 47 17.221 5.424 18.013 1148 HE1 MET 47 HE1 MET 47 14.893 3.142 15.519 1149 HE2 MET 47 HE2 MET 47 15.227 4.819 16.004 1150 HE3 MET 47 HE3 MET 47 16.398 3.933 14.999 1151 H LYS 48 H LYS 48 19.257 7.690 14.871 1152 HA LYS 48 HA LYS 48 21.158 6.572 12.875 1153 HB2 LYS 48 HB1 LYS 48 18.179 7.010 12.617 1154 HB3 LYS 48 HB2 LYS 48 19.246 6.893 11.197 1155 HG2 LYS 48 HG1 LYS 48 18.870 4.764 13.313 1156 HG3 LYS 48 HG2 LYS 48 18.103 4.783 11.707 1157 HD2 LYS 48 HD1 LYS 48 21.069 4.504 12.285 1158 HD3 LYS 48 HD2 LYS 48 19.960 3.212 11.764 1159 HE2 LYS 48 HE1 LYS 48 19.551 4.553 9.650 1160 HE3 LYS 48 HE2 LYS 48 20.860 5.638 10.165 1161 HZ1 LYS 48 HZ1 LYS 48 21.641 3.957 8.653 1162 HZ2 LYS 48 HZ2 LYS 48 22.343 3.758 10.131 1163 HZ3 LYS 48 HZ3 LYS 48 21.128 2.752 9.654 1164 H GLU 49 H GLU 49 22.425 7.975 12.187 1165 HA GLU 49 HA GLU 49 21.537 10.295 10.680 1166 HB2 GLU 49 HB1 GLU 49 23.607 10.636 12.883 1167 HB3 GLU 49 HB2 GLU 49 23.361 11.781 11.543 1168 HG2 GLU 49 HG1 GLU 49 20.882 11.767 12.254 1169 HG3 GLU 49 HG2 GLU 49 21.457 11.013 13.758 1170 H SER 50 H SER 50 24.484 8.452 11.868 1171 HA SER 50 HA SER 50 25.841 8.391 9.413 1172 HB2 SER 50 HB1 SER 50 25.571 6.335 11.615 1173 HB3 SER 50 HB2 SER 50 26.564 6.033 10.168 1174 HG SER 50 HG SER 50 27.768 6.961 11.896 1175 H SER 51 H SER 51 25.310 7.797 7.486 1176 HA SER 51 HA SER 51 24.590 6.718 5.678 1177 HB2 SER 51 HB1 SER 51 24.014 4.552 5.647 1178 HB3 SER 51 HB2 SER 51 24.451 4.618 7.372 1179 HG SER 51 HG SER 51 22.402 3.620 7.012 1180 H ILE 52 H ILE 52 22.651 8.493 7.683 1181 HA ILE 52 HA ILE 52 20.733 8.765 5.459 1182 HB ILE 52 HB ILE 52 18.829 9.038 6.917 1183 HG12 ILE 52 HG13 ILE 52 19.220 8.009 9.341 1184 HG13 ILE 52 HG12 ILE 52 20.823 8.749 9.113 1185 HG21 ILE 52 HG21 ILE 52 18.560 6.658 7.551 1186 HG22 ILE 52 HG22 ILE 52 19.346 6.826 5.964 1187 HG23 ILE 52 HG23 ILE 52 20.316 6.424 7.402 1188 HD11 ILE 52 HD11 ILE 52 19.285 10.298 10.291 1189 HD12 ILE 52 HD12 ILE 52 19.756 10.937 8.702 1190 HD13 ILE 52 HD13 ILE 52 18.151 10.198 8.927 1191 H ASP 53 H ASP 53 22.791 10.383 7.701 1192 HA ASP 53 HA ASP 53 21.855 13.032 7.497 1193 HB2 ASP 53 HB1 ASP 53 23.725 12.268 8.918 1194 HB3 ASP 53 HB2 ASP 53 24.713 12.003 7.464 1195 H ASP 54 H ASP 54 23.551 11.041 5.107 1196 HA ASP 54 HA ASP 54 23.697 12.494 2.811 1197 HB2 ASP 54 HB1 ASP 54 24.070 10.109 2.997 1198 HB3 ASP 54 HB2 ASP 54 22.385 9.824 3.486 1199 H LEU 55 H LEU 55 20.578 11.018 3.829 1200 HA LEU 55 HA LEU 55 18.884 12.517 2.141 1201 HB2 LEU 55 HB1 LEU 55 18.121 11.400 4.848 1202 HB3 LEU 55 HB2 LEU 55 17.091 11.621 3.413 1203 HG LEU 55 HG LEU 55 19.332 9.590 3.637 1204 HD11 LEU 55 HD11 LEU 55 17.501 7.937 3.904 1205 HD12 LEU 55 HD12 LEU 55 17.490 9.129 5.226 1206 HD13 LEU 55 HD13 LEU 55 16.308 9.259 3.902 1207 HD21 LEU 55 HD21 LEU 55 18.313 8.611 1.612 1208 HD22 LEU 55 HD22 LEU 55 17.122 9.932 1.574 1209 HD23 LEU 55 HD23 LEU 55 18.850 10.281 1.323 1210 H MET 56 H MET 56 19.986 13.198 5.520 1211 HA MET 56 HA MET 56 18.258 15.399 5.999 1212 HB2 MET 56 HB1 MET 56 21.060 14.944 7.078 1213 HB3 MET 56 HB2 MET 56 19.840 16.050 7.753 1214 HG2 MET 56 HG1 MET 56 19.515 13.042 7.544 1215 HG3 MET 56 HG2 MET 56 20.083 13.894 8.991 1216 HE1 MET 56 HE1 MET 56 17.113 15.162 10.753 1217 HE2 MET 56 HE2 MET 56 18.645 14.265 10.874 1218 HE3 MET 56 HE3 MET 56 18.614 15.878 10.121 1219 H LYS 57 H LYS 57 21.466 15.268 4.392 1220 HA LYS 57 HA LYS 57 21.662 18.103 3.998 1221 HB2 LYS 57 HB1 LYS 57 23.103 15.687 3.048 1222 HB3 LYS 57 HB2 LYS 57 23.175 17.109 1.980 1223 HG2 LYS 57 HG1 LYS 57 25.063 17.238 3.446 1224 HG3 LYS 57 HG2 LYS 57 23.894 18.466 3.987 1225 HD2 LYS 57 HD1 LYS 57 23.092 16.767 5.709 1226 HD3 LYS 57 HD2 LYS 57 24.511 15.786 5.271 1227 HE2 LYS 57 HE1 LYS 57 25.970 17.768 5.791 1228 HE3 LYS 57 HE2 LYS 57 24.526 18.632 6.361 1229 HZ1 LYS 57 HZ1 LYS 57 25.706 17.593 8.156 1230 HZ2 LYS 57 HZ2 LYS 57 24.215 16.909 7.987 1231 HZ3 LYS 57 HZ3 LYS 57 25.556 16.106 7.458 1232 H SER 58 H SER 58 20.198 15.466 2.012 1233 HA SER 58 HA SER 58 19.370 17.113 -0.131 1234 HB2 SER 58 HB1 SER 58 19.155 14.691 -0.204 1235 HB3 SER 58 HB2 SER 58 17.920 14.739 1.079 1236 HG SER 58 HG SER 58 17.008 14.630 -1.032 1237 H LEU 59 H LEU 59 18.155 17.090 3.190 1238 HA LEU 59 HA LEU 59 15.857 18.762 2.485 1239 HB2 LEU 59 HB1 LEU 59 16.965 18.094 5.223 1240 HB3 LEU 59 HB2 LEU 59 15.362 18.763 4.840 1241 HG LEU 59 HG LEU 59 16.393 15.989 4.165 1242 HD11 LEU 59 HD11 LEU 59 14.649 15.272 5.752 1243 HD12 LEU 59 HD12 LEU 59 15.824 16.363 6.526 1244 HD13 LEU 59 HD13 LEU 59 14.221 16.974 6.054 1245 HD21 LEU 59 HD21 LEU 59 14.148 15.512 3.266 1246 HD22 LEU 59 HD22 LEU 59 13.689 17.212 3.514 1247 HD23 LEU 59 HD23 LEU 59 14.962 16.795 2.342 1248 H ASP 60 H ASP 60 18.874 19.243 4.441 1249 HA ASP 60 HA ASP 60 18.201 21.976 4.908 1250 HB2 ASP 60 HB1 ASP 60 19.765 20.266 6.205 1251 HB3 ASP 60 HB2 ASP 60 21.023 21.091 5.259 1252 H LYS 61 H LYS 61 20.083 20.495 2.274 1253 HA LYS 61 HA LYS 61 21.246 22.588 0.995 1254 HB2 LYS 61 HB1 LYS 61 19.655 20.175 0.211 1255 HB3 LYS 61 HB2 LYS 61 19.941 21.374 -1.073 1256 HG2 LYS 61 HG1 LYS 61 22.254 20.608 0.654 1257 HG3 LYS 61 HG2 LYS 61 21.676 19.409 -0.527 1258 HD2 LYS 61 HD1 LYS 61 23.547 20.947 -1.260 1259 HD3 LYS 61 HD2 LYS 61 22.144 20.780 -2.344 1260 HE2 LYS 61 HE1 LYS 61 22.296 23.143 -0.508 1261 HE3 LYS 61 HE2 LYS 61 23.322 23.098 -1.958 1262 HZ1 LYS 61 HZ1 LYS 61 21.250 24.226 -2.371 1263 HZ2 LYS 61 HZ2 LYS 61 21.341 22.853 -3.277 1264 HZ3 LYS 61 HZ3 LYS 61 20.387 22.894 -1.932 1265 H ASN 62 H ASN 62 17.667 22.153 1.151 1266 HA ASN 62 HA ASN 62 17.423 24.602 -0.538 1267 HB2 ASN 62 HB1 ASN 62 15.857 22.015 -0.725 1268 HB3 ASN 62 HB2 ASN 62 15.434 23.512 -1.583 1269 HD21 ASN 62 HD21 ASN 62 15.500 21.724 -3.287 1270 HD22 ASN 62 HD22 ASN 62 17.008 21.565 -4.163 1271 H SER 63 H SER 63 15.727 22.470 1.805 1272 HA SER 63 HA SER 63 14.893 22.912 3.786 1273 HB2 SER 63 HB1 SER 63 16.230 25.585 3.362 1274 HB3 SER 63 HB2 SER 63 15.462 25.105 4.895 1275 HG SER 63 HG SER 63 17.713 24.652 4.849 1276 H ASP 64 H ASP 64 13.937 25.874 1.807 1277 HA ASP 64 HA ASP 64 11.454 25.807 3.413 1278 HB2 ASP 64 HB1 ASP 64 13.424 28.086 3.464 1279 HB3 ASP 64 HB2 ASP 64 11.733 28.235 3.987 1280 H GLN 65 H GLN 65 12.650 25.774 0.337 1281 HA GLN 65 HA GLN 65 10.061 26.213 -0.683 1282 HB2 GLN 65 HB1 GLN 65 10.380 23.957 -1.737 1283 HB3 GLN 65 HB2 GLN 65 11.745 25.073 -1.981 1284 HG2 GLN 65 HG1 GLN 65 13.153 23.847 -0.548 1285 HG3 GLN 65 HG2 GLN 65 11.796 22.966 0.184 1286 HE21 GLN 65 HE12 GLN 65 10.516 21.535 -1.521 1287 HE22 GLN 65 HE22 GLN 65 11.538 20.606 -2.593 1288 H GLU 66 H GLU 66 8.275 24.794 -0.724 1289 HA GLU 66 HA GLU 66 7.464 23.404 1.625 1290 HB2 GLU 66 HB1 GLU 66 6.267 22.847 -1.071 1291 HB3 GLU 66 HB2 GLU 66 5.480 22.980 0.518 1292 HG2 GLU 66 HG1 GLU 66 4.695 24.878 -0.519 1293 HG3 GLU 66 HG2 GLU 66 6.135 25.523 0.297 1294 H ILE 67 H ILE 67 6.936 21.160 1.790 1295 HA ILE 67 HA ILE 67 8.101 19.317 -0.212 1296 HB ILE 67 HB ILE 67 8.676 19.434 2.631 1297 HG12 ILE 67 HG13 ILE 67 9.652 17.781 0.270 1298 HG13 ILE 67 HG12 ILE 67 10.321 19.327 0.844 1299 HG21 ILE 67 HG21 ILE 67 8.554 17.023 3.176 1300 HG22 ILE 67 HG22 ILE 67 6.940 17.714 2.923 1301 HG23 ILE 67 HG23 ILE 67 7.697 16.727 1.650 1302 HD11 ILE 67 HD11 ILE 67 11.767 17.428 1.509 1303 HD12 ILE 67 HD12 ILE 67 11.064 18.232 2.925 1304 HD13 ILE 67 HD13 ILE 67 10.392 16.686 2.352 1305 H ASP 68 H ASP 68 6.895 17.743 -0.905 1306 HA ASP 68 HA ASP 68 4.060 17.484 -0.182 1307 HB2 ASP 68 HB1 ASP 68 4.656 17.609 -2.506 1308 HB3 ASP 68 HB2 ASP 68 5.910 16.365 -2.313 1309 H PHE 69 H PHE 69 3.243 15.950 0.943 1310 HA PHE 69 HA PHE 69 4.228 14.373 2.865 1311 HB2 PHE 69 HB1 PHE 69 2.059 13.174 2.654 1312 HB3 PHE 69 HB2 PHE 69 1.893 14.930 2.478 1313 HD1 PHE 69 HD1 PHE 69 1.230 15.923 0.290 1314 HD2 PHE 69 HD2 PHE 69 1.696 11.679 0.769 1315 HE1 PHE 69 HE1 PHE 69 0.075 15.552 -1.873 1316 HE2 PHE 69 HE2 PHE 69 0.558 11.301 -1.403 1317 HZ PHE 69 HZ PHE 69 -0.265 13.239 -2.726 1318 H LYS 70 H LYS 70 4.525 13.340 -0.536 1319 HA LYS 70 HA LYS 70 4.923 10.540 0.090 1320 HB2 LYS 70 HB1 LYS 70 5.435 12.339 -2.271 1321 HB3 LYS 70 HB2 LYS 70 6.104 10.690 -2.243 1322 HG2 LYS 70 HG1 LYS 70 3.991 9.688 -2.298 1323 HG3 LYS 70 HG2 LYS 70 3.176 11.136 -1.657 1324 HD2 LYS 70 HD1 LYS 70 4.476 11.068 -4.418 1325 HD3 LYS 70 HD2 LYS 70 2.766 10.657 -4.142 1326 HE2 LYS 70 HE1 LYS 70 2.457 12.808 -2.960 1327 HE3 LYS 70 HE2 LYS 70 4.155 13.221 -3.290 1328 HZ1 LYS 70 HZ1 LYS 70 2.663 14.364 -4.741 1329 HZ2 LYS 70 HZ2 LYS 70 3.615 13.327 -5.587 1330 HZ3 LYS 70 HZ3 LYS 70 2.041 12.943 -5.281 1331 H GLU 71 H GLU 71 7.137 13.355 -0.392 1332 HA GLU 71 HA GLU 71 9.550 11.922 -0.091 1333 HB2 GLU 71 HB1 GLU 71 8.910 14.754 0.784 1334 HB3 GLU 71 HB2 GLU 71 10.541 14.046 0.727 1335 HG2 GLU 71 HG1 GLU 71 9.741 13.458 -1.783 1336 HG3 GLU 71 HG2 GLU 71 8.737 14.898 -1.506 1337 H TYR 72 H TYR 72 7.093 12.823 2.316 1338 HA TYR 72 HA TYR 72 8.851 12.373 4.579 1339 HB2 TYR 72 HB1 TYR 72 7.006 13.874 4.831 1340 HB3 TYR 72 HB2 TYR 72 5.848 12.634 4.323 1341 HD1 TYR 72 HD2 TYR 72 8.602 12.809 6.915 1342 HD2 TYR 72 HD1 TYR 72 4.507 11.817 6.028 1343 HE1 TYR 72 HE2 TYR 72 8.207 12.327 9.317 1344 HE2 TYR 72 HE1 TYR 72 4.111 11.317 8.430 1345 HH TYR 72 HH TYR 72 6.647 11.852 10.919 1346 H SER 73 H SER 73 6.194 10.436 3.108 1347 HA SER 73 HA SER 73 6.475 8.216 4.849 1348 HB2 SER 73 HB1 SER 73 5.168 6.991 3.235 1349 HB3 SER 73 HB2 SER 73 4.515 8.635 3.425 1350 HG SER 73 HG SER 73 4.647 7.979 1.234 1351 H VAL 74 H VAL 74 8.067 8.872 1.637 1352 HA VAL 74 HA VAL 74 9.536 6.424 1.807 1353 HB VAL 74 HB VAL 74 10.939 7.108 0.043 1354 HG11 VAL 74 HG11 VAL 74 9.258 7.448 -1.713 1355 HG12 VAL 74 HG12 VAL 74 8.713 6.287 -0.485 1356 HG13 VAL 74 HG13 VAL 74 8.081 7.950 -0.480 1357 HG21 VAL 74 HG21 VAL 74 10.865 9.276 -1.096 1358 HG22 VAL 74 HG22 VAL 74 9.758 9.881 0.151 1359 HG23 VAL 74 HG23 VAL 74 11.421 9.418 0.583 1360 H PHE 75 H PHE 75 10.260 9.689 3.135 1361 HA PHE 75 HA PHE 75 12.992 9.070 3.749 1362 HB2 PHE 75 HB1 PHE 75 11.582 11.317 3.902 1363 HB3 PHE 75 HB2 PHE 75 11.351 10.783 5.575 1364 HD1 PHE 75 HD1 PHE 75 13.729 9.989 6.742 1365 HD2 PHE 75 HD2 PHE 75 13.250 12.765 3.485 1366 HE1 PHE 75 HE1 PHE 75 15.893 11.064 7.333 1367 HE2 PHE 75 HE2 PHE 75 15.379 13.862 4.103 1368 HZ PHE 75 HZ PHE 75 16.692 13.042 6.047 1369 H LEU 76 H LEU 76 9.995 8.853 5.830 1370 HA LEU 76 HA LEU 76 11.167 7.533 8.014 1371 HB2 LEU 76 HB1 LEU 76 8.401 7.383 6.780 1372 HB3 LEU 76 HB2 LEU 76 8.824 6.529 8.283 1373 HG LEU 76 HG LEU 76 8.922 9.546 7.887 1374 HD11 LEU 76 HD11 LEU 76 6.895 9.510 9.319 1375 HD12 LEU 76 HD12 LEU 76 6.633 8.587 7.818 1376 HD13 LEU 76 HD13 LEU 76 6.943 7.729 9.346 1377 HD21 LEU 76 HD21 LEU 76 9.183 9.631 10.349 1378 HD22 LEU 76 HD22 LEU 76 9.235 7.855 10.405 1379 HD23 LEU 76 HD23 LEU 76 10.534 8.758 9.590 1380 H THR 77 H THR 77 9.882 6.150 4.961 1381 HA THR 77 HA THR 77 10.207 3.401 5.660 1382 HB THR 77 HB THR 77 10.077 4.808 2.973 1383 HG1 THR 77 HG1 THR 77 7.921 4.067 3.179 1384 HG21 THR 77 HG21 THR 77 9.452 2.601 2.064 1385 HG22 THR 77 HG22 THR 77 11.101 2.580 2.733 1386 HG23 THR 77 HG23 THR 77 9.756 1.862 3.654 1387 H MET 78 H MET 78 12.291 5.571 3.692 1388 HA MET 78 HA MET 78 14.489 3.868 3.281 1389 HB2 MET 78 HB1 MET 78 13.945 6.180 2.320 1390 HB3 MET 78 HB2 MET 78 14.604 6.853 3.831 1391 HG2 MET 78 HG1 MET 78 16.497 6.956 2.604 1392 HG3 MET 78 HG2 MET 78 16.657 5.277 3.145 1393 HE1 MET 78 HE1 MET 78 15.722 6.915 -1.008 1394 HE2 MET 78 HE2 MET 78 14.776 7.388 0.426 1395 HE3 MET 78 HE3 MET 78 16.520 7.740 0.357 1396 H LEU 79 H LEU 79 13.697 5.971 6.052 1397 HA LEU 79 HA LEU 79 16.184 5.562 7.432 1398 HB2 LEU 79 HB1 LEU 79 14.763 7.582 7.467 1399 HB3 LEU 79 HB2 LEU 79 13.508 6.660 8.330 1400 HG LEU 79 HG LEU 79 14.774 6.567 10.308 1401 HD11 LEU 79 HD11 LEU 79 17.125 7.341 10.498 1402 HD12 LEU 79 HD12 LEU 79 16.987 5.984 9.359 1403 HD13 LEU 79 HD13 LEU 79 17.158 7.646 8.748 1404 HD21 LEU 79 HD21 LEU 79 15.304 8.974 10.704 1405 HD22 LEU 79 HD22 LEU 79 15.328 9.256 8.946 1406 HD23 LEU 79 HD23 LEU 79 13.807 8.804 9.755 1407 H CYS 80 H CYS 80 12.934 4.070 7.737 1408 HA CYS 80 HA CYS 80 13.605 2.348 9.914 1409 HB2 CYS 80 HB1 CYS 80 11.312 2.925 9.183 1410 HB3 CYS 80 HB2 CYS 80 11.567 1.998 7.684 1411 HG CYS 80 HG CYS 80 10.072 0.626 9.337 1412 H MET 81 H MET 81 13.777 1.791 6.317 1413 HA MET 81 HA MET 81 14.903 -0.813 6.759 1414 HB2 MET 81 HB1 MET 81 15.156 -1.054 4.424 1415 HB3 MET 81 HB2 MET 81 13.557 -0.386 4.830 1416 HG2 MET 81 HG1 MET 81 14.115 0.750 2.931 1417 HG3 MET 81 HG2 MET 81 14.560 1.881 4.222 1418 HE1 MET 81 HE1 MET 81 17.779 -0.599 1.980 1419 HE2 MET 81 HE2 MET 81 16.796 -1.207 3.333 1420 HE3 MET 81 HE3 MET 81 16.035 -0.871 1.759 1421 H ALA 82 H ALA 82 16.360 2.311 6.741 1422 HA ALA 82 HA ALA 82 19.056 1.453 6.553 1423 HB1 ALA 82 HB1 ALA 82 19.587 3.631 7.566 1424 HB2 ALA 82 HB2 ALA 82 18.370 3.775 6.279 1425 HB3 ALA 82 HB3 ALA 82 17.874 3.848 7.987 1426 H TYR 83 H TYR 83 16.940 0.333 8.857 1427 HA TYR 83 HA TYR 83 19.240 -0.801 10.257 1428 HB2 TYR 83 HB1 TYR 83 18.207 -0.516 12.485 1429 HB3 TYR 83 HB2 TYR 83 18.739 0.992 11.723 1430 HD1 TYR 83 HD1 TYR 83 15.714 -1.060 12.529 1431 HD2 TYR 83 HD2 TYR 83 17.255 2.797 11.404 1432 HE1 TYR 83 HE1 TYR 83 13.460 -0.068 12.869 1433 HE2 TYR 83 HE2 TYR 83 15.039 3.823 11.839 1434 HH TYR 83 HH TYR 83 12.846 3.447 12.355 1435 H ASN 84 H ASN 84 16.805 -1.598 8.367 1436 HA ASN 84 HA ASN 84 15.857 -3.890 9.942 1437 HB2 ASN 84 HB1 ASN 84 15.004 -2.806 7.269 1438 HB3 ASN 84 HB2 ASN 84 14.456 -4.382 7.882 1439 HD21 ASN 84 HD21 ASN 84 12.819 -2.040 7.276 1440 HD22 ASN 84 HD22 ASN 84 12.002 -1.617 8.769 1441 H ASP 85 H ASP 85 18.718 -3.613 8.827 1442 HA ASP 85 HA ASP 85 19.286 -5.995 7.478 1443 HB2 ASP 85 HB1 ASP 85 21.385 -5.953 8.941 1444 HB3 ASP 85 HB2 ASP 85 21.060 -4.523 7.937 1445 H PHE 86 H PHE 86 17.826 -5.626 10.610 1446 HA PHE 86 HA PHE 86 18.117 -8.238 11.639 1447 HB2 PHE 86 HB1 PHE 86 16.074 -6.033 11.895 1448 HB3 PHE 86 HB2 PHE 86 15.828 -7.590 12.702 1449 HD1 PHE 86 HD1 PHE 86 18.267 -4.742 12.410 1450 HD2 PHE 86 HD2 PHE 86 16.852 -8.045 14.781 1451 HE1 PHE 86 HE1 PHE 86 19.744 -4.036 14.272 1452 HE2 PHE 86 HE2 PHE 86 18.315 -7.324 16.654 1453 HZ PHE 86 HZ PHE 86 19.767 -5.322 16.399 1454 H PHE 87 H PHE 87 16.138 -7.236 8.837 1455 HA PHE 87 HA PHE 87 14.852 -9.873 8.755 1456 HB2 PHE 87 HB1 PHE 87 15.029 -7.566 6.797 1457 HB3 PHE 87 HB2 PHE 87 14.254 -9.107 6.392 1458 HD1 PHE 87 HD2 PHE 87 12.672 -9.746 8.789 1459 HD2 PHE 87 HD1 PHE 87 13.347 -5.990 6.799 1460 HE1 PHE 87 HE2 PHE 87 10.497 -8.905 9.636 1461 HE2 PHE 87 HE1 PHE 87 11.154 -5.160 7.617 1462 HZ PHE 87 HZ PHE 87 9.740 -6.610 9.066 1463 H LEU 88 H LEU 88 18.015 -8.801 8.070 1464 HA LEU 88 HA LEU 88 18.208 -10.339 5.564 1465 HB2 LEU 88 HB1 LEU 88 19.858 -7.995 6.508 1466 HB3 LEU 88 HB2 LEU 88 20.083 -8.877 4.978 1467 HG LEU 88 HG LEU 88 17.754 -7.140 5.829 1468 HD11 LEU 88 HD11 LEU 88 18.307 -5.926 3.727 1469 HD12 LEU 88 HD12 LEU 88 19.719 -6.025 4.804 1470 HD13 LEU 88 HD13 LEU 88 19.595 -7.105 3.394 1471 HD21 LEU 88 HD21 LEU 88 16.612 -7.684 3.693 1472 HD22 LEU 88 HD22 LEU 88 17.870 -8.883 3.336 1473 HD23 LEU 88 HD23 LEU 88 16.776 -9.121 4.720 1474 H GLU 89 H GLU 89 21.199 -9.565 7.004 1475 HA GLU 89 HA GLU 89 22.506 -11.764 7.684 1476 HB2 GLU 89 HB1 GLU 89 21.020 -12.392 5.208 1477 HB3 GLU 89 HB2 GLU 89 22.765 -12.729 5.113 1478 HG2 GLU 89 HG1 GLU 89 22.638 -14.246 6.986 1479 HG3 GLU 89 HG2 GLU 89 20.947 -13.797 7.299 1480 H ASP 90 H ASP 90 22.118 -9.036 5.808 1481 HA ASP 90 HA ASP 90 23.392 -7.401 4.967 1482 HB2 ASP 90 HB1 ASP 90 25.151 -7.857 6.601 1483 HB3 ASP 90 HB2 ASP 90 25.819 -9.124 5.549 1484 H ASN 91 H ASN 91 24.817 -10.524 3.989 1485 HA ASN 91 HA ASN 91 25.065 -9.844 1.215 1486 HB2 ASN 91 HB1 ASN 91 26.462 -11.472 2.451 1487 HB3 ASN 91 HB2 ASN 91 25.043 -12.520 2.670 1488 HD21 ASN 91 HD21 ASN 91 26.524 -10.767 -0.122 1489 HD22 ASN 91 HD22 ASN 91 26.552 -12.165 -1.183 1490 H LYS 92 H LYS 92 22.354 -11.131 3.086 1491 HA LYS 92 HA LYS 92 20.832 -11.809 0.634 1492 HB2 LYS 92 HB1 LYS 92 21.486 -13.651 2.960 1493 HB3 LYS 92 HB2 LYS 92 20.181 -13.980 1.797 1494 HG2 LYS 92 HG1 LYS 92 21.645 -14.468 0.078 1495 HG3 LYS 92 HG2 LYS 92 22.943 -13.448 0.744 1496 HD2 LYS 92 HD1 LYS 92 23.665 -15.693 1.039 1497 HD3 LYS 92 HD2 LYS 92 23.121 -15.141 2.641 1498 HE2 LYS 92 HE1 LYS 92 21.186 -16.570 0.831 1499 HE3 LYS 92 HE2 LYS 92 22.409 -17.508 1.717 1500 HZ1 LYS 92 HZ1 LYS 92 20.360 -17.345 2.934 1501 HZ2 LYS 92 HZ2 LYS 92 21.568 -16.570 3.746 1502 HZ3 LYS 92 HZ3 LYS 92 20.433 -15.699 2.924 Start of MODEL 26 1 HA MET 1 HA MET 1 12.730 4.448 22.364 2 HB2 MET 1 HB1 MET 1 14.223 6.489 22.389 3 HB3 MET 1 HB2 MET 1 12.861 7.403 21.701 4 HG2 MET 1 HG1 MET 1 12.879 7.742 24.082 5 HG3 MET 1 HG2 MET 1 11.479 6.741 23.664 6 HE1 MET 1 HE1 MET 1 11.850 4.885 26.908 7 HE2 MET 1 HE2 MET 1 11.606 6.598 26.497 8 HE3 MET 1 HE3 MET 1 10.775 5.332 25.563 9 H GLU 2 H GLU 2 10.353 4.163 22.713 10 HA GLU 2 HA GLU 2 9.713 3.998 19.860 11 HB2 GLU 2 HB1 GLU 2 8.831 2.389 22.256 12 HB3 GLU 2 HB2 GLU 2 8.227 2.108 20.605 13 HG2 GLU 2 HG1 GLU 2 10.081 0.587 21.058 14 HG3 GLU 2 HG2 GLU 2 10.573 1.772 19.828 15 H THR 3 H THR 3 9.021 6.063 19.580 16 HA THR 3 HA THR 3 6.824 7.364 20.722 17 HB THR 3 HB THR 3 7.208 9.013 19.299 18 HG1 THR 3 HG1 THR 3 7.418 8.733 17.043 19 HG21 THR 3 HG21 THR 3 9.412 9.155 18.212 20 HG22 THR 3 HG22 THR 3 9.515 8.456 19.836 21 HG23 THR 3 HG23 THR 3 9.604 7.404 18.403 22 HA PRO 4 HA PRO 4 3.183 5.532 19.064 23 HB2 PRO 4 HB1 PRO 4 1.587 7.639 18.261 24 HB3 PRO 4 HB2 PRO 4 1.854 7.144 19.965 25 HG2 PRO 4 HG1 PRO 4 3.246 9.333 18.427 26 HG3 PRO 4 HG2 PRO 4 2.572 9.406 20.087 27 HD2 PRO 4 HD1 PRO 4 5.230 8.993 19.626 28 HD3 PRO 4 HD2 PRO 4 4.383 8.139 20.954 29 H LEU 5 H LEU 5 4.684 8.005 16.897 30 HA LEU 5 HA LEU 5 3.682 6.798 14.486 31 HB2 LEU 5 HB1 LEU 5 4.443 9.125 14.602 32 HB3 LEU 5 HB2 LEU 5 6.103 8.565 14.924 33 HG LEU 5 HG LEU 5 5.612 9.326 12.617 34 HD11 LEU 5 HD11 LEU 5 6.909 7.646 11.398 35 HD12 LEU 5 HD12 LEU 5 7.582 8.001 12.999 36 HD13 LEU 5 HD13 LEU 5 6.654 6.505 12.730 37 HD21 LEU 5 HD21 LEU 5 4.435 7.919 11.002 38 HD22 LEU 5 HD22 LEU 5 3.997 6.805 12.313 39 HD23 LEU 5 HD23 LEU 5 3.383 8.476 12.316 40 H GLU 6 H GLU 6 6.795 6.543 16.215 41 HA GLU 6 HA GLU 6 8.167 4.816 14.504 42 HB2 GLU 6 HB1 GLU 6 8.980 6.108 16.474 43 HB3 GLU 6 HB2 GLU 6 8.196 4.911 17.534 44 HG2 GLU 6 HG1 GLU 6 9.789 3.308 17.135 45 HG3 GLU 6 HG2 GLU 6 10.166 3.921 15.511 46 H LYS 7 H LYS 7 5.511 4.003 16.789 47 HA LYS 7 HA LYS 7 5.969 1.162 16.251 48 HB2 LYS 7 HB1 LYS 7 4.223 0.691 17.819 49 HB3 LYS 7 HB2 LYS 7 5.459 1.785 18.483 50 HG2 LYS 7 HG1 LYS 7 3.350 2.443 19.329 51 HG3 LYS 7 HG2 LYS 7 3.886 3.672 18.159 52 HD2 LYS 7 HD1 LYS 7 1.501 3.284 17.950 53 HD3 LYS 7 HD2 LYS 7 2.349 2.738 16.481 54 HE2 LYS 7 HE1 LYS 7 0.637 1.125 17.031 55 HE3 LYS 7 HE2 LYS 7 2.225 0.393 17.345 56 HZ1 LYS 7 HZ1 LYS 7 0.680 -0.039 19.119 57 HZ2 LYS 7 HZ2 LYS 7 1.925 0.894 19.668 58 HZ3 LYS 7 HZ3 LYS 7 0.450 1.574 19.375 59 H ALA 8 H ALA 8 4.314 3.594 14.686 60 HA ALA 8 HA ALA 8 2.264 1.893 13.424 61 HB1 ALA 8 HB1 ALA 8 1.444 4.064 12.594 62 HB2 ALA 8 HB2 ALA 8 1.649 4.087 14.363 63 HB3 ALA 8 HB3 ALA 8 2.853 4.879 13.319 64 H LEU 9 H LEU 9 5.010 4.089 12.332 65 HA LEU 9 HA LEU 9 5.454 2.905 9.833 66 HB2 LEU 9 HB1 LEU 9 7.094 4.195 11.931 67 HB3 LEU 9 HB2 LEU 9 7.989 3.124 10.828 68 HG LEU 9 HG LEU 9 7.865 5.615 10.253 69 HD11 LEU 9 HD11 LEU 9 7.725 5.168 7.816 70 HD12 LEU 9 HD12 LEU 9 8.641 3.898 8.658 71 HD13 LEU 9 HD13 LEU 9 6.960 3.599 8.155 72 HD21 LEU 9 HD21 LEU 9 5.887 6.370 8.977 73 HD22 LEU 9 HD22 LEU 9 5.076 4.832 9.337 74 HD23 LEU 9 HD23 LEU 9 5.465 5.965 10.654 75 H THR 10 H THR 10 6.268 1.555 13.113 76 HA THR 10 HA THR 10 7.409 -0.851 12.127 77 HB THR 10 HB THR 10 5.949 -0.356 14.731 78 HG1 THR 10 HG1 THR 10 8.150 -0.339 15.417 79 HG21 THR 10 HG21 THR 10 7.104 -2.410 15.531 80 HG22 THR 10 HG22 THR 10 5.982 -2.789 14.207 81 HG23 THR 10 HG23 THR 10 7.731 -2.689 13.891 82 H THR 11 H THR 11 3.920 -0.129 12.883 83 HA THR 11 HA THR 11 2.921 -2.651 12.135 84 HB THR 11 HB THR 11 1.558 0.022 11.694 85 HG1 THR 11 HG1 THR 11 0.655 -0.504 13.749 86 HG21 THR 11 HG21 THR 11 -0.522 -1.322 11.934 87 HG22 THR 11 HG22 THR 11 0.446 -1.889 10.554 88 HG23 THR 11 HG23 THR 11 0.457 -2.799 12.083 89 H MET 12 H MET 12 3.676 0.185 9.990 90 HA MET 12 HA MET 12 2.621 -0.984 7.647 91 HB2 MET 12 HB1 MET 12 3.625 1.454 8.183 92 HB3 MET 12 HB2 MET 12 5.036 0.751 7.358 93 HG2 MET 12 HG1 MET 12 3.240 -0.075 5.621 94 HG3 MET 12 HG2 MET 12 2.244 1.212 6.320 95 HE1 MET 12 HE1 MET 12 3.143 4.216 4.386 96 HE2 MET 12 HE2 MET 12 1.884 2.979 4.603 97 HE3 MET 12 HE3 MET 12 2.624 3.754 6.024 98 H VAL 13 H VAL 13 6.031 -1.119 8.900 99 HA VAL 13 HA VAL 13 6.911 -2.723 6.681 100 HB VAL 13 HB VAL 13 8.948 -3.224 7.985 101 HG11 VAL 13 HG11 VAL 13 9.867 -0.929 7.935 102 HG12 VAL 13 HG12 VAL 13 8.832 -1.253 6.528 103 HG13 VAL 13 HG13 VAL 13 8.215 -0.278 7.884 104 HG21 VAL 13 HG21 VAL 13 9.455 -2.043 10.092 105 HG22 VAL 13 HG22 VAL 13 7.795 -1.424 10.132 106 HG23 VAL 13 HG23 VAL 13 8.099 -3.172 10.276 107 H THR 14 H THR 14 5.700 -3.549 9.931 108 HA THR 14 HA THR 14 6.417 -6.316 9.887 109 HB THR 14 HB THR 14 4.120 -4.967 11.351 110 HG1 THR 14 HG1 THR 14 5.725 -4.871 13.003 111 HG21 THR 14 HG21 THR 14 4.420 -6.813 12.988 112 HG22 THR 14 HG22 THR 14 3.991 -7.448 11.383 113 HG23 THR 14 HG23 THR 14 5.676 -7.522 11.949 114 H THR 15 H THR 15 3.513 -4.545 8.811 115 HA THR 15 HA THR 15 1.930 -6.797 8.099 116 HB THR 15 HB THR 15 1.845 -3.959 7.029 117 HG1 THR 15 HG1 THR 15 0.267 -3.784 8.696 118 HG21 THR 15 HG21 THR 15 -0.547 -4.452 6.601 119 HG22 THR 15 HG22 THR 15 0.506 -5.537 5.667 120 HG23 THR 15 HG23 THR 15 -0.295 -6.126 7.143 121 H PHE 16 H PHE 16 4.261 -4.866 6.130 122 HA PHE 16 HA PHE 16 3.905 -6.393 3.725 123 HB2 PHE 16 HB1 PHE 16 4.865 -4.152 3.865 124 HB3 PHE 16 HB2 PHE 16 6.181 -4.750 4.888 125 HD1 PHE 16 HD1 PHE 16 7.881 -6.381 3.848 126 HD2 PHE 16 HD2 PHE 16 5.096 -4.046 1.537 127 HE1 PHE 16 HE1 PHE 16 9.362 -6.573 1.865 128 HE2 PHE 16 HE2 PHE 16 6.616 -4.175 -0.423 129 HZ PHE 16 HZ PHE 16 8.768 -5.406 -0.248 130 H HIS 17 H HIS 17 6.244 -6.738 6.469 131 HA HIS 17 HA HIS 17 7.693 -8.916 5.367 132 HB2 HIS 17 HB1 HIS 17 7.235 -7.932 8.186 133 HB3 HIS 17 HB2 HIS 17 8.238 -9.352 7.842 134 HD1 HIS 17 HD1 HIS 17 9.190 -6.363 9.018 135 HD2 HIS 17 HD2 HIS 17 9.805 -8.113 5.250 136 HE1 HIS 17 HE1 HIS 17 11.336 -5.345 8.087 137 HE2 HIS 17 HE2 HIS 17 11.779 -6.458 5.821 138 H LYS 18 H LYS 18 4.651 -8.862 7.189 139 HA LYS 18 HA LYS 18 4.298 -11.623 7.694 140 HB2 LYS 18 HB1 LYS 18 3.064 -9.734 8.658 141 HB3 LYS 18 HB2 LYS 18 2.331 -9.401 7.069 142 HG2 LYS 18 HG1 LYS 18 1.164 -11.605 7.199 143 HG3 LYS 18 HG2 LYS 18 1.817 -11.815 8.842 144 HD2 LYS 18 HD1 LYS 18 0.768 -9.659 9.520 145 HD3 LYS 18 HD2 LYS 18 0.089 -9.485 7.884 146 HE2 LYS 18 HE1 LYS 18 -1.111 -11.681 8.237 147 HE3 LYS 18 HE2 LYS 18 -0.559 -11.647 9.925 148 HZ1 LYS 18 HZ1 LYS 18 -2.745 -10.719 9.686 149 HZ2 LYS 18 HZ2 LYS 18 -1.690 -9.554 10.186 150 HZ3 LYS 18 HZ3 LYS 18 -2.202 -9.586 8.618 151 H TYR 19 H TYR 19 4.248 -9.966 4.612 152 HA TYR 19 HA TYR 19 2.911 -12.287 3.341 153 HB2 TYR 19 HB1 TYR 19 3.162 -9.388 2.542 154 HB3 TYR 19 HB2 TYR 19 2.726 -10.637 1.365 155 HD1 TYR 19 HD1 TYR 19 1.747 -9.356 4.756 156 HD2 TYR 19 HD2 TYR 19 0.461 -11.243 1.126 157 HE1 TYR 19 HE1 TYR 19 -0.565 -9.400 5.626 158 HE2 TYR 19 HE2 TYR 19 -1.874 -11.293 1.970 159 HH TYR 19 HH TYR 19 -3.255 -10.898 3.768 160 H SER 20 H SER 20 5.904 -10.284 3.090 161 HA SER 20 HA SER 20 6.998 -11.941 0.975 162 HB2 SER 20 HB1 SER 20 9.077 -10.699 1.466 163 HB3 SER 20 HB2 SER 20 7.672 -9.622 1.266 164 HG SER 20 HG SER 20 8.976 -9.061 3.071 165 H GLY 21 H GLY 21 7.205 -11.970 4.535 166 HA2 GLY 21 HA2 GLY 21 8.775 -14.052 4.107 167 H ARG 22 H ARG 22 6.177 -14.464 3.662 168 HA ARG 22 HA ARG 22 5.838 -17.187 4.449 169 HB2 ARG 22 HB1 ARG 22 5.074 -15.476 2.065 170 HB3 ARG 22 HB2 ARG 22 4.710 -17.218 2.085 171 HG2 ARG 22 HG1 ARG 22 3.171 -17.017 3.814 172 HG3 ARG 22 HG2 ARG 22 3.851 -15.472 4.377 173 HD2 ARG 22 HD1 ARG 22 1.530 -15.648 3.060 174 HD3 ARG 22 HD2 ARG 22 2.605 -14.238 2.941 175 HE ARG 22 HE ARG 22 3.188 -16.179 0.913 176 HH11 ARG 22 HH12 ARG 22 0.578 -13.884 1.629 177 HH12 ARG 22 HH11 ARG 22 0.358 -13.481 -0.053 178 HH21 ARG 22 HH22 ARG 22 2.982 -15.498 -1.154 179 HH22 ARG 22 HH21 ARG 22 1.706 -14.388 -1.605 180 H GLU 23 H GLU 23 8.066 -15.664 2.111 181 HA GLU 23 HA GLU 23 8.640 -18.277 0.849 182 HB2 GLU 23 HB1 GLU 23 7.305 -15.907 -0.465 183 HB3 GLU 23 HB2 GLU 23 8.261 -17.070 -1.415 184 HG2 GLU 23 HG1 GLU 23 6.714 -18.751 -1.181 185 HG3 GLU 23 HG2 GLU 23 6.194 -18.201 0.427 186 H GLY 24 H GLY 24 9.590 -15.536 -1.026 187 HA2 GLY 24 HA2 GLY 24 11.803 -15.485 0.323 188 H SER 25 H SER 25 13.954 -14.253 -0.652 189 HA SER 25 HA SER 25 14.725 -12.230 -1.269 190 HB2 SER 25 HB1 SER 25 11.964 -11.575 -2.323 191 HB3 SER 25 HB2 SER 25 13.533 -10.932 -2.871 192 HG SER 25 HG SER 25 12.710 -12.573 -4.258 193 H LYS 26 H LYS 26 13.740 -12.190 1.591 194 HA LYS 26 HA LYS 26 11.148 -11.299 1.705 195 HB2 LYS 26 HB1 LYS 26 12.363 -12.797 3.168 196 HB3 LYS 26 HB2 LYS 26 13.340 -11.444 3.786 197 HG2 LYS 26 HG1 LYS 26 10.384 -11.319 4.159 198 HG3 LYS 26 HG2 LYS 26 11.306 -12.485 5.138 199 HD2 LYS 26 HD1 LYS 26 11.834 -9.502 4.977 200 HD3 LYS 26 HD2 LYS 26 10.960 -10.328 6.289 201 HE2 LYS 26 HE1 LYS 26 13.875 -10.745 5.570 202 HE3 LYS 26 HE2 LYS 26 13.268 -9.750 6.911 203 HZ1 LYS 26 HZ1 LYS 26 13.970 -11.910 7.653 204 HZ2 LYS 26 HZ2 LYS 26 12.348 -11.729 7.877 205 HZ3 LYS 26 HZ3 LYS 26 12.911 -12.654 6.632 206 H LEU 27 H LEU 27 13.780 -8.922 1.656 207 HA LEU 27 HA LEU 27 12.025 -6.837 2.675 208 HB2 LEU 27 HB1 LEU 27 14.601 -6.627 1.097 209 HB3 LEU 27 HB2 LEU 27 13.772 -5.297 1.941 210 HG LEU 27 HG LEU 27 15.190 -7.687 3.145 211 HD11 LEU 27 HD11 LEU 27 16.556 -5.919 4.217 212 HD12 LEU 27 HD12 LEU 27 16.573 -5.764 2.446 213 HD13 LEU 27 HD13 LEU 27 15.563 -4.674 3.426 214 HD21 LEU 27 HD21 LEU 27 14.567 -6.855 5.391 215 HD22 LEU 27 HD22 LEU 27 13.542 -5.614 4.642 216 HD23 LEU 27 HD23 LEU 27 13.135 -7.337 4.458 217 H THR 28 H THR 28 12.174 -8.487 -0.327 218 HA THR 28 HA THR 28 10.346 -6.475 -1.526 219 HB THR 28 HB THR 28 10.865 -7.542 -3.703 220 HG1 THR 28 HG1 THR 28 12.614 -9.021 -3.689 221 HG21 THR 28 HG21 THR 28 13.202 -6.764 -3.980 222 HG22 THR 28 HG22 THR 28 12.243 -5.599 -3.044 223 HG23 THR 28 HG23 THR 28 13.379 -6.689 -2.214 224 H LEU 29 H LEU 29 8.699 -7.502 -2.983 225 HA LEU 29 HA LEU 29 8.173 -10.302 -3.051 226 HB2 LEU 29 HB1 LEU 29 6.112 -10.561 -2.061 227 HB3 LEU 29 HB2 LEU 29 7.102 -9.684 -0.870 228 HG LEU 29 HG LEU 29 4.841 -8.582 -2.551 229 HD11 LEU 29 HD11 LEU 29 3.770 -8.279 -0.328 230 HD12 LEU 29 HD12 LEU 29 4.200 -9.983 -0.609 231 HD13 LEU 29 HD13 LEU 29 5.209 -8.974 0.456 232 HD21 LEU 29 HD21 LEU 29 5.114 -6.457 -1.323 233 HD22 LEU 29 HD22 LEU 29 6.564 -7.109 -0.532 234 HD23 LEU 29 HD23 LEU 29 6.554 -6.836 -2.291 235 H SER 30 H SER 30 5.470 -10.155 -4.264 236 HA SER 30 HA SER 30 6.353 -8.809 -6.746 237 HB2 SER 30 HB1 SER 30 4.736 -10.194 -7.893 238 HB3 SER 30 HB2 SER 30 5.685 -11.208 -6.779 239 HG SER 30 HG SER 30 3.426 -11.660 -6.690 240 H ARG 31 H ARG 31 4.831 -7.580 -8.185 241 HA ARG 31 HA ARG 31 3.404 -5.526 -6.915 242 HB2 ARG 31 HB1 ARG 31 2.469 -6.619 -9.565 243 HB3 ARG 31 HB2 ARG 31 2.386 -4.948 -8.956 244 HG2 ARG 31 HG1 ARG 31 4.775 -6.398 -10.074 245 HG3 ARG 31 HG2 ARG 31 3.894 -5.017 -10.771 246 HD2 ARG 31 HD1 ARG 31 5.643 -5.034 -8.302 247 HD3 ARG 31 HD2 ARG 31 5.977 -4.246 -9.860 248 HE ARG 31 HE ARG 31 3.598 -3.356 -8.357 249 HH11 ARG 31 HH12 ARG 31 6.715 -2.453 -9.740 250 HH12 ARG 31 HH11 ARG 31 6.672 -0.848 -9.072 251 HH21 ARG 31 HH22 ARG 31 3.780 -1.286 -7.299 252 HH22 ARG 31 HH21 ARG 31 5.078 -0.214 -7.745 253 H LYS 32 H LYS 32 2.268 -8.709 -7.951 254 HA LYS 32 HA LYS 32 -0.543 -8.276 -7.694 255 HB2 LYS 32 HB1 LYS 32 0.791 -9.995 -9.032 256 HB3 LYS 32 HB2 LYS 32 0.960 -10.896 -7.507 257 HG2 LYS 32 HG1 LYS 32 -1.313 -11.421 -7.409 258 HG3 LYS 32 HG2 LYS 32 -1.778 -10.065 -8.465 259 HD2 LYS 32 HD1 LYS 32 -1.998 -12.214 -9.650 260 HD3 LYS 32 HD2 LYS 32 -0.734 -11.204 -10.394 261 HE2 LYS 32 HE1 LYS 32 0.943 -12.510 -8.961 262 HE3 LYS 32 HE2 LYS 32 -0.386 -13.638 -8.613 263 HZ1 LYS 32 HZ1 LYS 32 0.942 -14.372 -10.457 264 HZ2 LYS 32 HZ2 LYS 32 -0.589 -14.024 -10.963 265 HZ3 LYS 32 HZ3 LYS 32 0.645 -12.979 -11.286 266 H GLU 33 H GLU 33 1.881 -9.569 -5.345 267 HA GLU 33 HA GLU 33 -0.141 -10.027 -3.321 268 HB2 GLU 33 HB1 GLU 33 2.192 -11.115 -3.561 269 HB3 GLU 33 HB2 GLU 33 2.804 -9.642 -2.775 270 HG2 GLU 33 HG1 GLU 33 2.457 -11.239 -1.034 271 HG3 GLU 33 HG2 GLU 33 1.122 -10.070 -0.917 272 H LEU 34 H LEU 34 2.122 -7.265 -4.009 273 HA LEU 34 HA LEU 34 1.393 -5.591 -1.872 274 HB2 LEU 34 HB1 LEU 34 3.074 -4.739 -3.180 275 HB3 LEU 34 HB2 LEU 34 2.250 -5.146 -4.704 276 HG LEU 34 HG LEU 34 0.713 -3.248 -4.367 277 HD11 LEU 34 HD11 LEU 34 1.196 -1.521 -2.662 278 HD12 LEU 34 HD12 LEU 34 0.792 -3.078 -1.909 279 HD13 LEU 34 HD13 LEU 34 2.488 -2.545 -2.001 280 HD21 LEU 34 HD21 LEU 34 2.345 -1.428 -4.811 281 HD22 LEU 34 HD22 LEU 34 3.652 -2.457 -4.184 282 HD23 LEU 34 HD23 LEU 34 2.791 -2.918 -5.673 283 H LYS 35 H LYS 35 -0.269 -5.867 -5.076 284 HA LYS 35 HA LYS 35 -2.457 -4.208 -4.590 285 HB2 LYS 35 HB1 LYS 35 -2.105 -5.010 -6.784 286 HB3 LYS 35 HB2 LYS 35 -2.079 -6.710 -6.256 287 HG2 LYS 35 HG1 LYS 35 -4.475 -6.631 -5.788 288 HG3 LYS 35 HG2 LYS 35 -4.524 -4.905 -6.220 289 HD2 LYS 35 HD1 LYS 35 -3.768 -7.114 -8.164 290 HD3 LYS 35 HD2 LYS 35 -5.416 -6.468 -7.983 291 HE2 LYS 35 HE1 LYS 35 -4.422 -4.164 -8.454 292 HE3 LYS 35 HE2 LYS 35 -2.928 -5.004 -8.922 293 HZ1 LYS 35 HZ1 LYS 35 -4.310 -4.531 -10.814 294 HZ2 LYS 35 HZ2 LYS 35 -4.178 -6.160 -10.601 295 HZ3 LYS 35 HZ3 LYS 35 -5.565 -5.379 -10.167 296 H GLU 36 H GLU 36 -2.088 -7.662 -3.682 297 HA GLU 36 HA GLU 36 -4.818 -7.924 -2.824 298 HB2 GLU 36 HB1 GLU 36 -3.267 -9.718 -3.715 299 HB3 GLU 36 HB2 GLU 36 -2.448 -9.682 -2.136 300 HG2 GLU 36 HG1 GLU 36 -4.049 -11.492 -2.172 301 HG3 GLU 36 HG2 GLU 36 -4.591 -10.239 -1.035 302 H LEU 37 H LEU 37 -1.743 -7.136 -1.112 303 HA LEU 37 HA LEU 37 -2.743 -7.259 1.517 304 HB2 LEU 37 HB1 LEU 37 -0.380 -6.344 0.189 305 HB3 LEU 37 HB2 LEU 37 -0.912 -5.070 1.311 306 HG LEU 37 HG LEU 37 -0.474 -7.981 2.056 307 HD11 LEU 37 HD11 LEU 37 1.555 -7.191 3.249 308 HD12 LEU 37 HD12 LEU 37 1.664 -6.868 1.504 309 HD13 LEU 37 HD13 LEU 37 1.270 -5.549 2.632 310 HD21 LEU 37 HD21 LEU 37 -0.653 -7.172 4.394 311 HD22 LEU 37 HD22 LEU 37 -0.970 -5.529 3.794 312 HD23 LEU 37 HD23 LEU 37 -2.138 -6.833 3.478 313 H ILE 38 H ILE 38 -3.021 -4.613 -0.883 314 HA ILE 38 HA ILE 38 -4.242 -2.669 0.783 315 HB ILE 38 HB ILE 38 -4.912 -2.970 -2.136 316 HG12 ILE 38 HG13 ILE 38 -2.550 -3.168 -2.227 317 HG13 ILE 38 HG12 ILE 38 -3.007 -1.529 -2.747 318 HG21 ILE 38 HG21 ILE 38 -4.994 -0.486 -2.125 319 HG22 ILE 38 HG22 ILE 38 -6.072 -1.182 -0.900 320 HG23 ILE 38 HG23 ILE 38 -4.505 -0.489 -0.419 321 HD11 ILE 38 HD11 ILE 38 -0.957 -1.484 -1.363 322 HD12 ILE 38 HD12 ILE 38 -2.298 -0.637 -0.568 323 HD13 ILE 38 HD13 ILE 38 -1.841 -2.276 -0.045 324 H LYS 39 H LYS 39 -5.608 -5.579 -0.617 325 HA LYS 39 HA LYS 39 -8.308 -4.751 0.274 326 HB2 LYS 39 HB1 LYS 39 -7.177 -6.702 -1.710 327 HB3 LYS 39 HB2 LYS 39 -8.788 -7.006 -1.016 328 HG2 LYS 39 HG1 LYS 39 -7.911 -4.577 -2.604 329 HG3 LYS 39 HG2 LYS 39 -8.998 -5.878 -3.147 330 HD2 LYS 39 HD1 LYS 39 -9.541 -3.684 -1.136 331 HD3 LYS 39 HD2 LYS 39 -10.383 -4.022 -2.666 332 HE2 LYS 39 HE1 LYS 39 -11.126 -6.225 -1.619 333 HE3 LYS 39 HE2 LYS 39 -10.514 -5.595 -0.075 334 HZ1 LYS 39 HZ1 LYS 39 -12.852 -5.180 -0.342 335 HZ2 LYS 39 HZ2 LYS 39 -12.023 -3.754 -0.302 336 HZ3 LYS 39 HZ3 LYS 39 -12.590 -4.339 -1.737 337 H LYS 40 H LYS 40 -5.697 -7.010 1.178 338 HA LYS 40 HA LYS 40 -7.397 -8.599 2.897 339 HB2 LYS 40 HB1 LYS 40 -4.398 -8.181 2.882 340 HB3 LYS 40 HB2 LYS 40 -5.257 -9.318 3.949 341 HG2 LYS 40 HG1 LYS 40 -4.612 -9.506 1.055 342 HG3 LYS 40 HG2 LYS 40 -4.436 -10.705 2.357 343 HD2 LYS 40 HD1 LYS 40 -7.020 -10.832 2.312 344 HD3 LYS 40 HD2 LYS 40 -6.888 -10.014 0.737 345 HE2 LYS 40 HE1 LYS 40 -5.054 -11.807 0.220 346 HE3 LYS 40 HE2 LYS 40 -5.752 -12.698 1.591 347 HZ1 LYS 40 HZ1 LYS 40 -6.702 -13.381 -0.490 348 HZ2 LYS 40 HZ2 LYS 40 -7.853 -12.672 0.454 349 HZ3 LYS 40 HZ3 LYS 40 -7.204 -11.846 -0.817 350 H GLU 41 H GLU 41 -5.047 -5.923 3.472 351 HA GLU 41 HA GLU 41 -5.977 -5.815 6.283 352 HB2 GLU 41 HB1 GLU 41 -3.045 -5.773 5.522 353 HB3 GLU 41 HB2 GLU 41 -3.748 -5.812 7.156 354 HG2 GLU 41 HG1 GLU 41 -4.939 -7.987 6.220 355 HG3 GLU 41 HG2 GLU 41 -3.574 -7.978 5.085 356 H LEU 42 H LEU 42 -4.842 -3.787 3.493 357 HA LEU 42 HA LEU 42 -6.489 -1.955 5.154 358 HB2 LEU 42 HB1 LEU 42 -4.708 -1.530 2.967 359 HB3 LEU 42 HB2 LEU 42 -6.347 -1.077 2.434 360 HG LEU 42 HG LEU 42 -5.085 -0.118 5.031 361 HD11 LEU 42 HD11 LEU 42 -4.669 2.028 3.869 362 HD12 LEU 42 HD12 LEU 42 -3.778 0.694 3.100 363 HD13 LEU 42 HD13 LEU 42 -5.267 1.319 2.351 364 HD21 LEU 42 HD21 LEU 42 -6.856 1.614 4.974 365 HD22 LEU 42 HD22 LEU 42 -7.493 0.908 3.472 366 HD23 LEU 42 HD23 LEU 42 -7.553 -0.021 4.988 367 H CYS 43 H CYS 43 -8.602 -1.464 4.566 368 HA CYS 43 HA CYS 43 -10.186 -2.202 2.446 369 HB2 CYS 43 HB1 CYS 43 -9.793 -4.598 3.213 370 HB3 CYS 43 HB2 CYS 43 -10.683 -4.187 4.701 371 HG CYS 43 HG CYS 43 -12.252 -5.488 3.055 372 H LEU 44 H LEU 44 -11.761 -0.660 2.647 373 HA LEU 44 HA LEU 44 -13.025 -0.086 5.214 374 HB2 LEU 44 HB1 LEU 44 -12.303 2.142 5.465 375 HB3 LEU 44 HB2 LEU 44 -10.838 1.169 5.191 376 HG LEU 44 HG LEU 44 -12.193 3.009 3.198 377 HD11 LEU 44 HD11 LEU 44 -10.128 4.357 3.473 378 HD12 LEU 44 HD12 LEU 44 -10.972 4.146 5.025 379 HD13 LEU 44 HD13 LEU 44 -9.523 3.179 4.662 380 HD21 LEU 44 HD21 LEU 44 -10.256 2.607 1.707 381 HD22 LEU 44 HD22 LEU 44 -9.629 1.407 2.856 382 HD23 LEU 44 HD23 LEU 44 -11.166 1.112 2.007 383 H GLY 45 H GLY 45 -13.626 -0.801 2.211 384 HA2 GLY 45 HA2 GLY 45 -14.376 -0.259 0.690 385 H GLU 46 H GLU 46 -13.752 -0.281 -0.987 386 HA GLU 46 HA GLU 46 -11.912 1.739 -1.825 387 HB2 GLU 46 HB1 GLU 46 -12.183 0.509 -4.059 388 HB3 GLU 46 HB2 GLU 46 -11.553 -0.413 -2.673 389 HG2 GLU 46 HG1 GLU 46 -14.504 -0.492 -3.039 390 HG3 GLU 46 HG2 GLU 46 -13.550 -1.283 -4.314 391 H MET 47 H MET 47 -13.421 3.525 -1.263 392 HA MET 47 HA MET 47 -15.839 4.073 -2.654 393 HB2 MET 47 HB1 MET 47 -13.945 5.698 -0.928 394 HB3 MET 47 HB2 MET 47 -15.455 6.377 -1.581 395 HG2 MET 47 HG1 MET 47 -16.775 4.691 -0.470 396 HG3 MET 47 HG2 MET 47 -15.323 3.797 0.014 397 HE1 MET 47 HE1 MET 47 -14.019 5.327 3.069 398 HE2 MET 47 HE2 MET 47 -14.412 3.829 2.186 399 HE3 MET 47 HE3 MET 47 -13.374 5.061 1.428 400 H LYS 48 H LYS 48 -12.715 4.332 -3.869 401 HA LYS 48 HA LYS 48 -13.506 6.422 -5.809 402 HB2 LYS 48 HB1 LYS 48 -10.746 5.641 -4.851 403 HB3 LYS 48 HB2 LYS 48 -11.126 6.909 -6.040 404 HG2 LYS 48 HG1 LYS 48 -11.576 6.885 -3.071 405 HG3 LYS 48 HG2 LYS 48 -10.630 8.026 -4.056 406 HD2 LYS 48 HD1 LYS 48 -13.580 7.944 -3.529 407 HD3 LYS 48 HD2 LYS 48 -12.428 9.290 -3.365 408 HE2 LYS 48 HE1 LYS 48 -12.973 10.043 -5.394 409 HE3 LYS 48 HE2 LYS 48 -12.532 8.484 -6.123 410 HZ1 LYS 48 HZ1 LYS 48 -14.816 9.052 -6.552 411 HZ2 LYS 48 HZ2 LYS 48 -14.735 7.696 -5.617 412 HZ3 LYS 48 HZ3 LYS 48 -15.145 9.143 -4.940 413 H GLU 49 H GLU 49 -13.153 6.223 -7.853 414 HA GLU 49 HA GLU 49 -12.358 3.667 -9.097 415 HB2 GLU 49 HB1 GLU 49 -13.388 5.243 -11.097 416 HB3 GLU 49 HB2 GLU 49 -14.254 3.964 -10.215 417 HG2 GLU 49 HG1 GLU 49 -15.524 6.100 -10.557 418 HG3 GLU 49 HG2 GLU 49 -15.415 5.539 -8.875 419 H SER 50 H SER 50 -12.162 7.184 -10.032 420 HA SER 50 HA SER 50 -10.009 6.763 -11.786 421 HB2 SER 50 HB1 SER 50 -11.542 8.687 -11.862 422 HB3 SER 50 HB2 SER 50 -10.834 9.313 -10.353 423 HG SER 50 HG SER 50 -9.914 10.272 -12.232 424 H SER 51 H SER 51 -7.881 7.199 -11.764 425 HA SER 51 HA SER 51 -5.748 7.302 -11.113 426 HB2 SER 51 HB1 SER 51 -6.619 8.252 -8.369 427 HB3 SER 51 HB2 SER 51 -5.012 8.412 -9.115 428 HG SER 51 HG SER 51 -6.267 10.328 -9.291 429 H ILE 52 H ILE 52 -7.678 5.939 -8.296 430 HA ILE 52 HA ILE 52 -5.694 3.951 -7.817 431 HB ILE 52 HB ILE 52 -7.152 4.358 -6.056 432 HG12 ILE 52 HG13 ILE 52 -7.791 1.624 -7.208 433 HG13 ILE 52 HG12 ILE 52 -6.330 2.063 -6.294 434 HG21 ILE 52 HG21 ILE 52 -9.573 3.927 -6.035 435 HG22 ILE 52 HG22 ILE 52 -9.130 5.166 -7.229 436 HG23 ILE 52 HG23 ILE 52 -9.506 3.509 -7.761 437 HD11 ILE 52 HD11 ILE 52 -7.922 0.806 -4.878 438 HD12 ILE 52 HD12 ILE 52 -7.701 2.465 -4.292 439 HD13 ILE 52 HD13 ILE 52 -9.164 2.028 -5.207 440 H ASP 53 H ASP 53 -8.450 3.947 -10.100 441 HA ASP 53 HA ASP 53 -8.323 1.302 -10.978 442 HB2 ASP 53 HB1 ASP 53 -10.048 2.902 -11.657 443 HB3 ASP 53 HB2 ASP 53 -8.853 3.805 -12.612 444 H ASP 54 H ASP 54 -6.450 4.062 -12.547 445 HA ASP 54 HA ASP 54 -4.934 2.275 -14.159 446 HB2 ASP 54 HB1 ASP 54 -5.093 4.779 -14.531 447 HB3 ASP 54 HB2 ASP 54 -3.888 4.963 -13.238 448 H LEU 55 H LEU 55 -4.187 3.620 -10.853 449 HA LEU 55 HA LEU 55 -1.543 2.596 -10.752 450 HB2 LEU 55 HB1 LEU 55 -3.570 3.189 -8.576 451 HB3 LEU 55 HB2 LEU 55 -1.869 2.769 -8.259 452 HG LEU 55 HG LEU 55 -2.717 5.082 -10.029 453 HD11 LEU 55 HD11 LEU 55 -2.282 6.543 -8.081 454 HD12 LEU 55 HD12 LEU 55 -3.605 5.400 -7.750 455 HD13 LEU 55 HD13 LEU 55 -1.985 5.109 -7.072 456 HD21 LEU 55 HD21 LEU 55 -0.414 5.898 -9.642 457 HD22 LEU 55 HD22 LEU 55 -0.074 4.461 -8.652 458 HD23 LEU 55 HD23 LEU 55 -0.414 4.286 -10.391 459 H MET 56 H MET 56 -4.625 1.110 -9.664 460 HA MET 56 HA MET 56 -3.509 -1.432 -9.022 461 HB2 MET 56 HB1 MET 56 -6.309 -0.519 -9.724 462 HB3 MET 56 HB2 MET 56 -5.924 -2.210 -9.324 463 HG2 MET 56 HG1 MET 56 -5.280 0.161 -7.548 464 HG3 MET 56 HG2 MET 56 -6.740 -0.831 -7.391 465 HE1 MET 56 HE1 MET 56 -5.482 -2.466 -4.424 466 HE2 MET 56 HE2 MET 56 -5.856 -0.781 -4.883 467 HE3 MET 56 HE3 MET 56 -6.879 -2.111 -5.479 468 H LYS 57 H LYS 57 -4.766 -0.165 -12.156 469 HA LYS 57 HA LYS 57 -4.347 -2.625 -13.563 470 HB2 LYS 57 HB1 LYS 57 -5.099 0.152 -14.219 471 HB3 LYS 57 HB2 LYS 57 -4.191 -0.681 -15.504 472 HG2 LYS 57 HG1 LYS 57 -6.627 -1.872 -14.122 473 HG3 LYS 57 HG2 LYS 57 -6.706 -0.953 -15.644 474 HD2 LYS 57 HD1 LYS 57 -5.321 -2.556 -16.791 475 HD3 LYS 57 HD2 LYS 57 -4.875 -3.361 -15.266 476 HE2 LYS 57 HE1 LYS 57 -7.410 -3.827 -14.989 477 HE3 LYS 57 HE2 LYS 57 -7.550 -3.389 -16.706 478 HZ1 LYS 57 HZ1 LYS 57 -7.286 -5.747 -16.410 479 HZ2 LYS 57 HZ2 LYS 57 -5.986 -5.128 -17.213 480 HZ3 LYS 57 HZ3 LYS 57 -5.855 -5.536 -15.620 481 H SER 58 H SER 58 -2.226 -0.237 -12.514 482 HA SER 58 HA SER 58 -0.022 -0.846 -14.313 483 HB2 SER 58 HB1 SER 58 -0.553 1.317 -12.305 484 HB3 SER 58 HB2 SER 58 1.110 0.982 -12.843 485 HG SER 58 HG SER 58 0.016 2.481 -14.214 486 H LEU 59 H LEU 59 -0.861 -1.488 -10.866 487 HA LEU 59 HA LEU 59 1.420 -3.184 -10.444 488 HB2 LEU 59 HB1 LEU 59 -1.424 -3.359 -9.381 489 HB3 LEU 59 HB2 LEU 59 -0.039 -4.296 -8.769 490 HG LEU 59 HG LEU 59 -0.443 -1.296 -8.596 491 HD11 LEU 59 HD11 LEU 59 -0.498 -1.738 -6.158 492 HD12 LEU 59 HD12 LEU 59 -1.771 -2.647 -7.008 493 HD13 LEU 59 HD13 LEU 59 -0.291 -3.478 -6.472 494 HD21 LEU 59 HD21 LEU 59 1.659 -1.226 -7.298 495 HD22 LEU 59 HD22 LEU 59 1.907 -2.957 -7.616 496 HD23 LEU 59 HD23 LEU 59 1.941 -1.789 -8.960 497 H ASP 60 H ASP 60 -1.664 -3.624 -12.141 498 HA ASP 60 HA ASP 60 -1.513 -6.435 -12.649 499 HB2 ASP 60 HB1 ASP 60 -3.220 -4.244 -13.101 500 HB3 ASP 60 HB2 ASP 60 -2.773 -4.804 -14.729 501 H LYS 61 H LYS 61 0.142 -3.708 -14.121 502 HA LYS 61 HA LYS 61 0.137 -4.444 -16.844 503 HB2 LYS 61 HB1 LYS 61 0.731 -2.263 -15.427 504 HB3 LYS 61 HB2 LYS 61 2.389 -2.871 -15.638 505 HG2 LYS 61 HG1 LYS 61 2.123 -1.312 -17.345 506 HG3 LYS 61 HG2 LYS 61 1.886 -2.884 -18.145 507 HD2 LYS 61 HD1 LYS 61 0.298 -1.230 -18.969 508 HD3 LYS 61 HD2 LYS 61 -0.534 -2.555 -18.119 509 HE2 LYS 61 HE1 LYS 61 -1.624 -0.479 -17.584 510 HE3 LYS 61 HE2 LYS 61 -0.785 -1.076 -16.137 511 HZ1 LYS 61 HZ1 LYS 61 -0.502 1.279 -16.419 512 HZ2 LYS 61 HZ2 LYS 61 0.947 0.510 -16.563 513 HZ3 LYS 61 HZ3 LYS 61 0.168 1.065 -17.907 514 H ASN 62 H ASN 62 2.158 -5.627 -14.290 515 HA ASN 62 HA ASN 62 3.525 -7.568 -15.856 516 HB2 ASN 62 HB1 ASN 62 5.858 -6.644 -15.407 517 HB3 ASN 62 HB2 ASN 62 4.922 -5.938 -16.744 518 HD21 ASN 62 HD21 ASN 62 5.752 -5.376 -13.282 519 HD22 ASN 62 HD22 ASN 62 5.702 -3.623 -13.393 520 H SER 63 H SER 63 2.223 -8.571 -14.025 521 HA SER 63 HA SER 63 2.464 -7.200 -11.513 522 HB2 SER 63 HB1 SER 63 0.431 -8.403 -12.804 523 HB3 SER 63 HB2 SER 63 0.867 -9.711 -11.678 524 HG SER 63 HG SER 63 -0.675 -8.257 -10.796 525 H ASP 64 H ASP 64 4.381 -9.731 -12.566 526 HA ASP 64 HA ASP 64 4.473 -11.086 -9.909 527 HB2 ASP 64 HB1 ASP 64 4.665 -12.128 -12.743 528 HB3 ASP 64 HB2 ASP 64 5.276 -13.063 -11.362 529 H GLN 65 H GLN 65 6.187 -9.101 -12.013 530 HA GLN 65 HA GLN 65 8.858 -9.544 -11.201 531 HB2 GLN 65 HB1 GLN 65 7.101 -7.194 -11.906 532 HB3 GLN 65 HB2 GLN 65 8.723 -6.888 -11.239 533 HG2 GLN 65 HG1 GLN 65 9.732 -8.176 -13.069 534 HG3 GLN 65 HG2 GLN 65 8.119 -8.535 -13.722 535 HE21 GLN 65 HE12 GLN 65 9.554 -5.422 -12.481 536 HE22 GLN 65 HE22 GLN 65 9.234 -4.536 -13.954 537 H GLU 66 H GLU 66 10.045 -8.795 -9.433 538 HA GLU 66 HA GLU 66 8.563 -8.414 -6.991 539 HB2 GLU 66 HB1 GLU 66 11.531 -8.429 -7.537 540 HB3 GLU 66 HB2 GLU 66 10.827 -8.133 -5.928 541 HG2 GLU 66 HG1 GLU 66 9.664 -10.386 -6.160 542 HG3 GLU 66 HG2 GLU 66 10.675 -10.665 -7.595 543 H ILE 67 H ILE 67 8.942 -6.813 -5.487 544 HA ILE 67 HA ILE 67 9.777 -4.097 -6.237 545 HB ILE 67 HB ILE 67 7.723 -3.447 -4.682 546 HG12 ILE 67 HG13 ILE 67 6.554 -5.865 -6.073 547 HG13 ILE 67 HG12 ILE 67 6.971 -5.792 -4.345 548 HG21 ILE 67 HG21 ILE 67 6.431 -2.914 -6.682 549 HG22 ILE 67 HG22 ILE 67 8.167 -2.593 -6.908 550 HG23 ILE 67 HG23 ILE 67 7.428 -4.046 -7.624 551 HD11 ILE 67 HD11 ILE 67 4.565 -5.404 -4.697 552 HD12 ILE 67 HD12 ILE 67 5.365 -3.964 -4.033 553 HD13 ILE 67 HD13 ILE 67 4.948 -4.035 -5.762 554 H ASP 68 H ASP 68 10.528 -2.946 -4.546 555 HA ASP 68 HA ASP 68 10.879 -4.078 -1.885 556 HB2 ASP 68 HB1 ASP 68 12.160 -1.959 -1.566 557 HB3 ASP 68 HB2 ASP 68 12.710 -2.921 -2.955 558 H PHE 69 H PHE 69 10.381 -2.872 0.035 559 HA PHE 69 HA PHE 69 7.717 -2.246 0.494 560 HB2 PHE 69 HB1 PHE 69 9.093 -2.953 2.244 561 HB3 PHE 69 HB2 PHE 69 10.316 -1.713 1.918 562 HD1 PHE 69 HD1 PHE 69 6.855 -2.209 3.318 563 HD2 PHE 69 HD2 PHE 69 10.370 0.264 3.128 564 HE1 PHE 69 HE1 PHE 69 5.946 -0.756 5.121 565 HE2 PHE 69 HE2 PHE 69 9.426 1.756 4.874 566 HZ PHE 69 HZ PHE 69 7.178 1.282 5.828 567 H LYS 70 H LYS 70 10.112 -0.013 -0.793 568 HA LYS 70 HA LYS 70 8.888 2.493 -0.403 569 HB2 LYS 70 HB1 LYS 70 11.089 1.927 -1.439 570 HB3 LYS 70 HB2 LYS 70 10.227 1.278 -2.854 571 HG2 LYS 70 HG1 LYS 70 9.358 3.980 -2.424 572 HG3 LYS 70 HG2 LYS 70 11.138 3.943 -2.392 573 HD2 LYS 70 HD1 LYS 70 9.413 2.703 -4.575 574 HD3 LYS 70 HD2 LYS 70 10.189 4.301 -4.683 575 HE2 LYS 70 HE1 LYS 70 12.103 3.362 -5.386 576 HE3 LYS 70 HE2 LYS 70 12.175 2.350 -3.927 577 HZ1 LYS 70 HZ1 LYS 70 12.146 1.034 -5.919 578 HZ2 LYS 70 HZ2 LYS 70 10.780 0.759 -5.037 579 HZ3 LYS 70 HZ3 LYS 70 10.713 1.697 -6.393 580 H GLU 71 H GLU 71 8.216 -0.013 -2.857 581 HA GLU 71 HA GLU 71 6.540 1.647 -4.516 582 HB2 GLU 71 HB1 GLU 71 6.961 -1.363 -4.310 583 HB3 GLU 71 HB2 GLU 71 6.091 -0.547 -5.632 584 HG2 GLU 71 HG1 GLU 71 8.894 0.325 -4.946 585 HG3 GLU 71 HG2 GLU 71 8.653 -1.168 -5.879 586 H TYR 72 H TYR 72 6.066 -0.666 -1.940 587 HA TYR 72 HA TYR 72 3.204 -0.545 -1.746 588 HB2 TYR 72 HB1 TYR 72 4.406 -2.376 -0.896 589 HB3 TYR 72 HB2 TYR 72 5.544 -1.337 -0.024 590 HD1 TYR 72 HD2 TYR 72 2.107 -2.785 0.051 591 HD2 TYR 72 HD1 TYR 72 5.099 -0.592 2.235 592 HE1 TYR 72 HE2 TYR 72 1.044 -3.466 2.188 593 HE2 TYR 72 HE1 TYR 72 4.150 -1.436 4.366 594 HH TYR 72 HH TYR 72 1.348 -3.648 4.471 595 H SER 73 H SER 73 5.815 1.338 -0.024 596 HA SER 73 HA SER 73 3.976 2.761 1.612 597 HB2 SER 73 HB1 SER 73 5.805 4.137 2.266 598 HB3 SER 73 HB2 SER 73 6.416 2.477 2.062 599 HG SER 73 HG SER 73 7.797 4.053 1.138 600 H VAL 74 H VAL 74 5.441 3.709 -1.570 601 HA VAL 74 HA VAL 74 4.110 6.235 -1.615 602 HB VAL 74 HB VAL 74 4.570 6.382 -3.970 603 HG11 VAL 74 HG11 VAL 74 7.027 6.287 -3.859 604 HG12 VAL 74 HG12 VAL 74 6.322 6.933 -2.362 605 HG13 VAL 74 HG13 VAL 74 6.917 5.257 -2.415 606 HG21 VAL 74 HG21 VAL 74 5.736 4.641 -5.259 607 HG22 VAL 74 HG22 VAL 74 5.584 3.531 -3.882 608 HG23 VAL 74 HG23 VAL 74 4.129 4.110 -4.727 609 H PHE 75 H PHE 75 2.972 2.995 -2.616 610 HA PHE 75 HA PHE 75 0.683 3.996 -4.081 611 HB2 PHE 75 HB1 PHE 75 1.907 1.726 -4.215 612 HB3 PHE 75 HB2 PHE 75 0.982 1.283 -2.769 613 HD1 PHE 75 HD1 PHE 75 -1.606 1.280 -2.934 614 HD2 PHE 75 HD2 PHE 75 1.020 1.503 -6.337 615 HE1 PHE 75 HE1 PHE 75 -3.473 0.590 -4.426 616 HE2 PHE 75 HE2 PHE 75 -0.829 0.783 -7.816 617 HZ PHE 75 HZ PHE 75 -3.098 0.392 -6.878 618 H LEU 76 H LEU 76 1.142 2.694 -0.755 619 HA LEU 76 HA LEU 76 -1.494 3.019 0.211 620 HB2 LEU 76 HB1 LEU 76 1.250 3.150 1.508 621 HB3 LEU 76 HB2 LEU 76 -0.263 3.214 2.444 622 HG LEU 76 HG LEU 76 0.468 0.912 0.602 623 HD11 LEU 76 HD11 LEU 76 1.138 -0.281 2.674 624 HD12 LEU 76 HD12 LEU 76 2.150 1.160 2.408 625 HD13 LEU 76 HD13 LEU 76 0.848 1.199 3.620 626 HD21 LEU 76 HD21 LEU 76 -1.251 -0.298 1.909 627 HD22 LEU 76 HD22 LEU 76 -1.561 1.173 2.861 628 HD23 LEU 76 HD23 LEU 76 -1.938 1.141 1.121 629 H THR 77 H THR 77 1.282 5.273 0.268 630 HA THR 77 HA THR 77 0.087 7.564 1.386 631 HB THR 77 HB THR 77 2.241 7.190 -0.715 632 HG1 THR 77 HG1 THR 77 3.526 7.573 1.129 633 HG21 THR 77 HG21 THR 77 3.003 9.480 -0.209 634 HG22 THR 77 HG22 THR 77 1.373 9.476 -0.918 635 HG23 THR 77 HG23 THR 77 1.582 9.716 0.833 636 H MET 78 H MET 78 0.347 6.622 -2.064 637 HA MET 78 HA MET 78 -0.939 8.914 -3.109 638 HB2 MET 78 HB1 MET 78 0.654 7.445 -4.264 639 HB3 MET 78 HB2 MET 78 -0.548 6.133 -4.251 640 HG2 MET 78 HG1 MET 78 -1.844 7.104 -5.861 641 HG3 MET 78 HG2 MET 78 -1.311 8.747 -5.461 642 HE1 MET 78 HE1 MET 78 1.817 5.988 -7.512 643 HE2 MET 78 HE2 MET 78 1.579 6.196 -5.765 644 HE3 MET 78 HE3 MET 78 0.374 5.309 -6.729 645 H LEU 79 H LEU 79 -2.338 5.736 -2.169 646 HA LEU 79 HA LEU 79 -4.989 6.470 -3.021 647 HB2 LEU 79 HB1 LEU 79 -3.674 4.197 -1.709 648 HB3 LEU 79 HB2 LEU 79 -5.342 4.482 -1.157 649 HG LEU 79 HG LEU 79 -6.207 4.292 -3.373 650 HD11 LEU 79 HD11 LEU 79 -4.856 3.889 -5.401 651 HD12 LEU 79 HD12 LEU 79 -4.485 5.463 -4.667 652 HD13 LEU 79 HD13 LEU 79 -3.372 4.093 -4.447 653 HD21 LEU 79 HD21 LEU 79 -5.564 1.969 -3.905 654 HD22 LEU 79 HD22 LEU 79 -4.111 2.138 -2.891 655 HD23 LEU 79 HD23 LEU 79 -5.727 2.214 -2.149 656 H CYS 80 H CYS 80 -3.258 7.032 0.083 657 HA CYS 80 HA CYS 80 -5.615 8.122 1.345 658 HB2 CYS 80 HB1 CYS 80 -3.475 7.378 2.468 659 HB3 CYS 80 HB2 CYS 80 -2.715 8.865 1.848 660 HG CYS 80 HG CYS 80 -3.331 9.166 4.373 661 H MET 81 H MET 81 -2.955 9.664 -0.547 662 HA MET 81 HA MET 81 -3.890 12.321 -0.554 663 HB2 MET 81 HB1 MET 81 -2.317 10.735 -2.619 664 HB3 MET 81 HB2 MET 81 -2.493 12.507 -2.628 665 HG2 MET 81 HG1 MET 81 -1.373 12.681 -0.481 666 HG3 MET 81 HG2 MET 81 -1.323 10.917 -0.317 667 HE1 MET 81 HE1 MET 81 1.182 13.599 -3.043 668 HE2 MET 81 HE2 MET 81 -0.598 13.532 -3.136 669 HE3 MET 81 HE3 MET 81 0.193 14.099 -1.645 670 H ALA 82 H ALA 82 -4.880 9.560 -2.497 671 HA ALA 82 HA ALA 82 -6.303 10.853 -4.541 672 HB1 ALA 82 HB1 ALA 82 -7.363 8.647 -4.871 673 HB2 ALA 82 HB2 ALA 82 -5.614 8.497 -4.594 674 HB3 ALA 82 HB3 ALA 82 -6.757 8.123 -3.283 675 H TYR 83 H TYR 83 -7.177 10.820 -1.189 676 HA TYR 83 HA TYR 83 -9.632 12.152 -1.679 677 HB2 TYR 83 HB1 TYR 83 -11.238 10.514 -0.816 678 HB3 TYR 83 HB2 TYR 83 -10.488 10.034 -2.348 679 HD1 TYR 83 HD2 TYR 83 -10.814 9.271 1.245 680 HD2 TYR 83 HD1 TYR 83 -9.007 8.079 -2.480 681 HE1 TYR 83 HE2 TYR 83 -10.377 7.012 2.184 682 HE2 TYR 83 HE1 TYR 83 -8.682 5.782 -1.591 683 HH TYR 83 HH TYR 83 -9.620 4.897 1.762 684 H ASN 84 H ASN 84 -7.174 12.138 0.230 685 HA ASN 84 HA ASN 84 -8.300 11.949 2.866 686 HB2 ASN 84 HB1 ASN 84 -6.172 12.725 3.689 687 HB3 ASN 84 HB2 ASN 84 -5.993 11.416 2.502 688 HD21 ASN 84 HD21 ASN 84 -3.804 12.838 3.218 689 HD22 ASN 84 HD22 ASN 84 -3.288 13.871 1.899 690 H ASP 85 H ASP 85 -9.847 13.678 1.337 691 HA ASP 85 HA ASP 85 -9.331 16.409 2.247 692 HB2 ASP 85 HB1 ASP 85 -11.469 15.237 0.432 693 HB3 ASP 85 HB2 ASP 85 -11.164 16.966 0.705 694 H PHE 86 H PHE 86 -10.844 13.732 3.613 695 HA PHE 86 HA PHE 86 -12.694 15.022 5.345 696 HB2 PHE 86 HB1 PHE 86 -10.870 12.616 5.617 697 HB3 PHE 86 HB2 PHE 86 -12.003 13.099 6.891 698 HD1 PHE 86 HD2 PHE 86 -11.694 11.704 3.467 699 HD2 PHE 86 HD1 PHE 86 -14.408 12.846 6.611 700 HE1 PHE 86 HE2 PHE 86 -13.538 10.495 2.321 701 HE2 PHE 86 HE1 PHE 86 -16.246 11.620 5.476 702 HZ PHE 86 HZ PHE 86 -15.809 10.433 3.332 703 H PHE 87 H PHE 87 -9.463 15.826 4.954 704 HA PHE 87 HA PHE 87 -9.331 17.072 7.649 705 HB2 PHE 87 HB1 PHE 87 -7.097 16.703 5.629 706 HB3 PHE 87 HB2 PHE 87 -6.949 17.195 7.326 707 HD1 PHE 87 HD1 PHE 87 -8.458 15.228 8.842 708 HD2 PHE 87 HD2 PHE 87 -6.044 14.671 5.323 709 HE1 PHE 87 HE1 PHE 87 -8.171 12.830 9.416 710 HE2 PHE 87 HE2 PHE 87 -5.729 12.279 5.914 711 HZ PHE 87 HZ PHE 87 -6.819 11.347 7.948 712 H LEU 88 H LEU 88 -10.411 17.860 4.631 713 HA LEU 88 HA LEU 88 -9.252 20.591 4.499 714 HB2 LEU 88 HB1 LEU 88 -10.057 18.497 2.523 715 HB3 LEU 88 HB2 LEU 88 -10.386 20.187 2.070 716 HG LEU 88 HG LEU 88 -8.242 19.165 1.226 717 HD11 LEU 88 HD11 LEU 88 -6.976 21.266 1.549 718 HD12 LEU 88 HD12 LEU 88 -8.696 21.582 1.240 719 HD13 LEU 88 HD13 LEU 88 -8.053 21.701 2.895 720 HD21 LEU 88 HD21 LEU 88 -6.256 19.179 2.692 721 HD22 LEU 88 HD22 LEU 88 -7.294 19.563 4.079 722 HD23 LEU 88 HD23 LEU 88 -7.468 18.003 3.238 723 H GLU 89 H GLU 89 -10.556 22.196 3.514 724 HA GLU 89 HA GLU 89 -13.350 22.307 4.460 725 HB2 GLU 89 HB1 GLU 89 -11.411 24.455 3.499 726 HB3 GLU 89 HB2 GLU 89 -13.043 24.746 4.148 727 HG2 GLU 89 HG1 GLU 89 -11.679 25.270 5.939 728 HG3 GLU 89 HG2 GLU 89 -12.164 23.596 6.289 729 H ASP 90 H ASP 90 -11.430 22.182 1.536 730 HA ASP 90 HA ASP 90 -13.689 22.219 -0.263 731 HB2 ASP 90 HB1 ASP 90 -13.150 24.691 0.370 732 HB3 ASP 90 HB2 ASP 90 -11.749 24.485 -0.702 733 H ASN 91 H ASN 91 -11.998 22.955 -2.603 734 HA ASN 91 HA ASN 91 -11.201 20.192 -3.048 735 HB2 ASN 91 HB1 ASN 91 -12.823 21.622 -4.404 736 HB3 ASN 91 HB2 ASN 91 -11.392 22.455 -5.049 737 HD21 ASN 91 HD21 ASN 91 -9.727 20.994 -6.136 738 HD22 ASN 91 HD22 ASN 91 -10.344 19.642 -7.077 739 H LYS 92 H LYS 92 -9.310 20.936 -1.484 740 HA LYS 92 HA LYS 92 -7.161 20.354 -1.225 741 HB2 LYS 92 HB1 LYS 92 -6.703 20.859 -4.166 742 HB3 LYS 92 HB2 LYS 92 -5.472 20.288 -3.013 743 HG2 LYS 92 HG1 LYS 92 -8.022 18.768 -3.623 744 HG3 LYS 92 HG2 LYS 92 -6.493 18.523 -4.500 745 HD2 LYS 92 HD1 LYS 92 -5.391 17.942 -2.335 746 HD3 LYS 92 HD2 LYS 92 -6.967 18.095 -1.524 747 HE2 LYS 92 HE1 LYS 92 -7.811 16.340 -3.221 748 HE3 LYS 92 HE2 LYS 92 -6.097 16.047 -3.589 749 HZ1 LYS 92 HZ1 LYS 92 -6.923 14.530 -1.938 750 HZ2 LYS 92 HZ2 LYS 92 -5.761 15.500 -1.285 751 HZ3 LYS 92 HZ3 LYS 92 -7.352 15.771 -0.944 752 HA MET 1 HA MET 1 -10.477 3.120 10.966 753 HB2 MET 1 HB1 MET 1 -9.346 3.649 13.714 754 HB3 MET 1 HB2 MET 1 -8.347 3.235 12.299 755 HG2 MET 1 HG1 MET 1 -8.294 5.597 12.508 756 HG3 MET 1 HG2 MET 1 -9.337 5.224 11.126 757 HE1 MET 1 HE1 MET 1 -10.751 8.570 12.725 758 HE2 MET 1 HE2 MET 1 -9.055 8.036 12.760 759 HE3 MET 1 HE3 MET 1 -10.022 7.833 11.279 760 H GLU 2 H GLU 2 -9.939 1.071 10.259 761 HA GLU 2 HA GLU 2 -10.927 -0.885 12.267 762 HB2 GLU 2 HB1 GLU 2 -11.169 -0.602 9.273 763 HB3 GLU 2 HB2 GLU 2 -11.450 -2.176 10.055 764 HG2 GLU 2 HG1 GLU 2 -13.498 -0.705 9.619 765 HG3 GLU 2 HG2 GLU 2 -13.318 -1.381 11.252 766 H THR 3 H THR 3 -8.519 -0.587 9.650 767 HA THR 3 HA THR 3 -7.780 -3.409 10.189 768 HB THR 3 HB THR 3 -7.173 -3.695 7.980 769 HG1 THR 3 HG1 THR 3 -6.905 -1.932 6.560 770 HG21 THR 3 HG21 THR 3 -9.064 -2.934 6.593 771 HG22 THR 3 HG22 THR 3 -9.606 -3.522 8.178 772 HG23 THR 3 HG23 THR 3 -9.514 -1.773 7.859 773 HA PRO 4 HA PRO 4 -4.068 -2.245 11.860 774 HB2 PRO 4 HB1 PRO 4 -2.148 -4.089 11.166 775 HB3 PRO 4 HB2 PRO 4 -3.534 -4.440 12.249 776 HG2 PRO 4 HG1 PRO 4 -3.307 -5.001 9.289 777 HG3 PRO 4 HG2 PRO 4 -3.869 -6.112 10.579 778 HD2 PRO 4 HD1 PRO 4 -5.620 -4.709 9.011 779 HD3 PRO 4 HD2 PRO 4 -5.949 -4.972 10.751 780 H LEU 5 H LEU 5 -3.653 -2.779 8.301 781 HA LEU 5 HA LEU 5 -1.332 -1.097 8.153 782 HB2 LEU 5 HB1 LEU 5 -2.107 -2.832 6.503 783 HB3 LEU 5 HB2 LEU 5 -3.339 -1.663 5.968 784 HG LEU 5 HG LEU 5 -1.694 -0.179 5.103 785 HD11 LEU 5 HD11 LEU 5 0.749 -0.570 5.254 786 HD12 LEU 5 HD12 LEU 5 0.031 -0.345 6.864 787 HD13 LEU 5 HD13 LEU 5 0.455 -1.978 6.298 788 HD21 LEU 5 HD21 LEU 5 -0.600 -1.657 3.436 789 HD22 LEU 5 HD22 LEU 5 -0.931 -3.069 4.471 790 HD23 LEU 5 HD23 LEU 5 -2.280 -2.165 3.740 791 H GLU 6 H GLU 6 -4.858 -0.351 7.939 792 HA GLU 6 HA GLU 6 -4.527 2.359 7.186 793 HB2 GLU 6 HB1 GLU 6 -6.733 2.605 7.449 794 HB3 GLU 6 HB2 GLU 6 -6.649 0.827 7.408 795 HG2 GLU 6 HG1 GLU 6 -8.062 1.027 9.128 796 HG3 GLU 6 HG2 GLU 6 -6.553 1.193 10.050 797 H LYS 7 H LYS 7 -4.295 0.835 10.425 798 HA LYS 7 HA LYS 7 -4.142 3.240 11.915 799 HB2 LYS 7 HB1 LYS 7 -3.634 0.375 12.353 800 HB3 LYS 7 HB2 LYS 7 -2.634 1.444 13.365 801 HG2 LYS 7 HG1 LYS 7 -4.662 0.836 14.554 802 HG3 LYS 7 HG2 LYS 7 -4.680 2.575 14.171 803 HD2 LYS 7 HD1 LYS 7 -6.864 1.887 13.754 804 HD3 LYS 7 HD2 LYS 7 -6.113 1.925 12.142 805 HE2 LYS 7 HE1 LYS 7 -7.017 -0.101 11.875 806 HE3 LYS 7 HE2 LYS 7 -5.680 -0.671 12.896 807 HZ1 LYS 7 HZ1 LYS 7 -7.787 -1.510 13.640 808 HZ2 LYS 7 HZ2 LYS 7 -7.135 -0.515 14.778 809 HZ3 LYS 7 HZ3 LYS 7 -8.377 0.015 13.831 810 H ALA 8 H ALA 8 -1.627 1.635 9.986 811 HA ALA 8 HA ALA 8 0.572 3.166 10.968 812 HB1 ALA 8 HB1 ALA 8 1.692 2.485 8.884 813 HB2 ALA 8 HB2 ALA 8 0.859 1.116 9.659 814 HB3 ALA 8 HB3 ALA 8 0.137 1.908 8.238 815 H LEU 9 H LEU 9 -1.464 3.686 8.024 816 HA LEU 9 HA LEU 9 -0.347 6.209 7.370 817 HB2 LEU 9 HB1 LEU 9 -2.971 4.881 6.679 818 HB3 LEU 9 HB2 LEU 9 -2.494 6.468 6.030 819 HG LEU 9 HG LEU 9 -2.126 4.837 4.368 820 HD11 LEU 9 HD11 LEU 9 0.285 5.080 3.884 821 HD12 LEU 9 HD12 LEU 9 -0.420 6.588 4.503 822 HD13 LEU 9 HD13 LEU 9 0.565 5.561 5.571 823 HD21 LEU 9 HD21 LEU 9 -0.649 2.872 4.586 824 HD22 LEU 9 HD22 LEU 9 -0.399 3.263 6.300 825 HD23 LEU 9 HD23 LEU 9 -2.017 2.801 5.716 826 H THR 10 H THR 10 -3.211 5.397 9.380 827 HA THR 10 HA THR 10 -4.227 7.995 9.809 828 HB THR 10 HB THR 10 -4.284 5.419 11.398 829 HG1 THR 10 HG1 THR 10 -6.393 5.500 10.471 830 HG21 THR 10 HG21 THR 10 -6.194 6.357 12.664 831 HG22 THR 10 HG22 THR 10 -4.700 7.260 12.996 832 HG23 THR 10 HG23 THR 10 -5.923 7.936 11.893 833 H THR 11 H THR 11 -1.679 6.231 11.663 834 HA THR 11 HA THR 11 -1.179 8.326 13.542 835 HB THR 11 HB THR 11 0.855 6.346 12.493 836 HG1 THR 11 HG1 THR 11 0.046 5.047 14.229 837 HG21 THR 11 HG21 THR 11 1.769 6.455 14.808 838 HG22 THR 11 HG22 THR 11 1.775 8.056 14.042 839 HG23 THR 11 HG23 THR 11 0.521 7.642 15.234 840 H MET 12 H MET 12 0.418 7.526 10.440 841 HA MET 12 HA MET 12 2.276 9.605 10.324 842 HB2 MET 12 HB1 MET 12 0.776 8.142 8.129 843 HB3 MET 12 HB2 MET 12 2.112 9.273 7.813 844 HG2 MET 12 HG1 MET 12 3.655 7.879 9.047 845 HG3 MET 12 HG2 MET 12 2.343 6.804 9.558 846 HE1 MET 12 HE1 MET 12 4.867 6.563 5.809 847 HE2 MET 12 HE2 MET 12 4.453 8.146 6.504 848 HE3 MET 12 HE3 MET 12 5.302 6.934 7.492 849 H VAL 13 H VAL 13 -1.089 9.675 8.907 850 HA VAL 13 HA VAL 13 -0.809 12.323 7.916 851 HB VAL 13 HB VAL 13 -3.244 12.487 7.820 852 HG11 VAL 13 HG11 VAL 13 -3.615 10.715 6.144 853 HG12 VAL 13 HG12 VAL 13 -2.014 11.460 5.974 854 HG13 VAL 13 HG13 VAL 13 -2.177 9.861 6.740 855 HG21 VAL 13 HG21 VAL 13 -4.720 10.589 8.365 856 HG22 VAL 13 HG22 VAL 13 -3.332 9.723 9.054 857 HG23 VAL 13 HG23 VAL 13 -3.905 11.233 9.806 858 H THR 14 H THR 14 -1.785 11.141 11.137 859 HA THR 14 HA THR 14 -2.807 13.685 12.042 860 HB THR 14 HB THR 14 -1.879 11.249 13.601 861 HG1 THR 14 HG1 THR 14 -4.146 10.821 13.542 862 HG21 THR 14 HG21 THR 14 -3.403 12.087 15.374 863 HG22 THR 14 HG22 THR 14 -2.110 13.257 15.038 864 HG23 THR 14 HG23 THR 14 -3.746 13.527 14.390 865 H THR 15 H THR 15 0.399 12.046 12.347 866 HA THR 15 HA THR 15 1.585 14.223 13.804 867 HB THR 15 HB THR 15 3.765 13.102 12.826 868 HG1 THR 15 HG1 THR 15 3.348 10.883 12.426 869 HG21 THR 15 HG21 THR 15 3.652 11.444 14.669 870 HG22 THR 15 HG22 THR 15 3.011 13.021 15.184 871 HG23 THR 15 HG23 THR 15 1.896 11.693 14.779 872 H PHE 16 H PHE 16 1.524 13.424 10.287 873 HA PHE 16 HA PHE 16 3.241 15.491 9.397 874 HB2 PHE 16 HB1 PHE 16 2.550 13.541 8.084 875 HB3 PHE 16 HB2 PHE 16 0.872 14.110 8.081 876 HD1 PHE 16 HD2 PHE 16 0.262 16.193 6.774 877 HD2 PHE 16 HD1 PHE 16 4.119 14.298 6.466 878 HE1 PHE 16 HE2 PHE 16 0.681 17.390 4.640 879 HE2 PHE 16 HE1 PHE 16 4.486 15.415 4.276 880 HZ PHE 16 HZ PHE 16 2.778 16.973 3.371 881 H HIS 17 H HIS 17 -0.347 15.502 9.798 882 HA HIS 17 HA HIS 17 -0.697 18.092 8.671 883 HB2 HIS 17 HB1 HIS 17 -2.429 16.325 10.392 884 HB3 HIS 17 HB2 HIS 17 -2.954 17.947 9.903 885 HD1 HIS 17 HD1 HIS 17 -3.475 14.607 8.808 886 HD2 HIS 17 HD2 HIS 17 -2.400 18.172 6.877 887 HE1 HIS 17 HE1 HIS 17 -3.784 14.192 6.315 888 HE2 HIS 17 HE2 HIS 17 -3.148 16.358 5.110 889 H LYS 18 H LYS 18 0.261 17.166 11.940 890 HA LYS 18 HA LYS 18 -0.384 19.528 13.358 891 HB2 LYS 18 HB1 LYS 18 0.429 17.254 14.142 892 HB3 LYS 18 HB2 LYS 18 2.067 17.779 13.685 893 HG2 LYS 18 HG1 LYS 18 0.362 19.150 15.771 894 HG3 LYS 18 HG2 LYS 18 1.551 17.872 16.123 895 HD2 LYS 18 HD1 LYS 18 3.169 19.556 14.820 896 HD3 LYS 18 HD2 LYS 18 1.969 20.740 15.395 897 HE2 LYS 18 HE1 LYS 18 3.663 20.691 17.055 898 HE3 LYS 18 HE2 LYS 18 2.315 19.747 17.725 899 HZ1 LYS 18 HZ1 LYS 18 4.413 18.649 18.039 900 HZ2 LYS 18 HZ2 LYS 18 3.452 17.758 17.038 901 HZ3 LYS 18 HZ3 LYS 18 4.703 18.633 16.416 902 H TYR 19 H TYR 19 2.222 18.974 10.998 903 HA TYR 19 HA TYR 19 3.477 21.553 11.784 904 HB2 TYR 19 HB1 TYR 19 4.693 19.282 10.199 905 HB3 TYR 19 HB2 TYR 19 5.520 20.735 10.784 906 HD1 TYR 19 HD1 TYR 19 3.928 17.576 11.741 907 HD2 TYR 19 HD2 TYR 19 6.309 20.862 13.142 908 HE1 TYR 19 HE1 TYR 19 4.490 16.268 13.767 909 HE2 TYR 19 HE2 TYR 19 6.871 19.568 15.198 910 HH TYR 19 HH TYR 19 6.598 17.564 16.330 911 H SER 20 H SER 20 2.391 19.711 8.869 912 HA SER 20 HA SER 20 2.300 21.763 6.977 913 HB2 SER 20 HB1 SER 20 1.496 19.414 6.728 914 HB3 SER 20 HB2 SER 20 0.086 19.813 7.740 915 HG SER 20 HG SER 20 -0.371 19.910 5.501 916 H GLY 21 H GLY 21 0.057 21.273 9.758 917 HA2 GLY 21 HA2 GLY 21 -0.763 23.688 9.056 918 H ARG 22 H ARG 22 1.505 23.734 10.259 919 HA ARG 22 HA ARG 22 0.996 26.281 11.680 920 HB2 ARG 22 HB1 ARG 22 3.392 24.527 11.159 921 HB3 ARG 22 HB2 ARG 22 3.635 26.244 11.558 922 HG2 ARG 22 HG1 ARG 22 2.948 25.979 13.725 923 HG3 ARG 22 HG2 ARG 22 1.732 24.750 13.300 924 HD2 ARG 22 HD1 ARG 22 3.642 23.885 14.678 925 HD3 ARG 22 HD2 ARG 22 3.403 23.040 13.133 926 HE ARG 22 HE ARG 22 5.438 23.750 12.408 927 HH11 ARG 22 HH12 ARG 22 4.734 25.913 15.087 928 HH12 ARG 22 HH11 ARG 22 6.406 26.385 15.254 929 HH21 ARG 22 HH22 ARG 22 7.551 24.232 12.766 930 HH22 ARG 22 HH21 ARG 22 7.983 25.442 13.953 931 H GLU 23 H GLU 23 1.328 25.266 8.458 932 HA GLU 23 HA GLU 23 2.598 27.813 7.597 933 HB2 GLU 23 HB1 GLU 23 3.111 25.055 6.415 934 HB3 GLU 23 HB2 GLU 23 3.875 26.585 5.925 935 HG2 GLU 23 HG1 GLU 23 4.629 26.764 8.400 936 HG3 GLU 23 HG2 GLU 23 4.209 25.040 8.508 937 H GLY 24 H GLY 24 2.329 27.177 4.762 938 HA2 GLY 24 HA2 GLY 24 -0.320 26.988 4.837 939 H SER 25 H SER 25 -1.314 26.563 2.106 940 HA SER 25 HA SER 25 -1.497 24.787 0.691 941 HB2 SER 25 HB1 SER 25 1.424 24.372 1.414 942 HB3 SER 25 HB2 SER 25 0.613 23.899 -0.100 943 HG SER 25 HG SER 25 1.760 25.887 -0.288 944 H LYS 26 H LYS 26 -2.946 23.670 2.536 945 HA LYS 26 HA LYS 26 -1.403 22.446 4.608 946 HB2 LYS 26 HB1 LYS 26 -3.604 22.131 5.690 947 HB3 LYS 26 HB2 LYS 26 -3.343 23.783 5.081 948 HG2 LYS 26 HG1 LYS 26 -4.756 23.344 3.147 949 HG3 LYS 26 HG2 LYS 26 -4.924 21.634 3.612 950 HD2 LYS 26 HD1 LYS 26 -5.857 23.932 5.363 951 HD3 LYS 26 HD2 LYS 26 -6.903 23.123 4.172 952 HE2 LYS 26 HE1 LYS 26 -6.306 20.924 5.333 953 HE3 LYS 26 HE2 LYS 26 -5.574 21.904 6.622 954 HZ1 LYS 26 HZ1 LYS 26 -7.834 21.325 7.121 955 HZ2 LYS 26 HZ2 LYS 26 -7.696 22.959 6.937 956 HZ3 LYS 26 HZ3 LYS 26 -8.375 22.050 5.741 957 H LEU 27 H LEU 27 -1.638 20.874 1.870 958 HA LEU 27 HA LEU 27 -1.622 18.275 3.317 959 HB2 LEU 27 HB1 LEU 27 -2.218 18.894 0.411 960 HB3 LEU 27 HB2 LEU 27 -1.921 17.252 1.031 961 HG LEU 27 HG LEU 27 -4.143 19.110 1.958 962 HD11 LEU 27 HD11 LEU 27 -5.633 17.567 0.717 963 HD12 LEU 27 HD12 LEU 27 -4.442 18.323 -0.367 964 HD13 LEU 27 HD13 LEU 27 -4.215 16.642 0.170 965 HD21 LEU 27 HD21 LEU 27 -5.076 17.111 3.090 966 HD22 LEU 27 HD22 LEU 27 -3.664 16.166 2.572 967 HD23 LEU 27 HD23 LEU 27 -3.463 17.514 3.717 968 H THR 28 H THR 28 0.394 20.610 1.840 969 HA THR 28 HA THR 28 2.692 18.728 1.832 970 HB THR 28 HB THR 28 3.923 20.421 0.695 971 HG1 THR 28 HG1 THR 28 3.007 22.493 0.355 972 HG21 THR 28 HG21 THR 28 2.611 20.927 -1.340 973 HG22 THR 28 HG22 THR 28 2.364 19.252 -0.806 974 HG23 THR 28 HG23 THR 28 1.122 20.486 -0.480 975 H LEU 29 H LEU 29 4.753 20.014 2.772 976 HA LEU 29 HA LEU 29 4.252 22.160 4.648 977 HB2 LEU 29 HB1 LEU 29 4.919 21.234 6.651 978 HB3 LEU 29 HB2 LEU 29 3.849 19.992 5.959 979 HG LEU 29 HG LEU 29 6.878 19.918 6.064 980 HD11 LEU 29 HD11 LEU 29 6.508 18.060 7.662 981 HD12 LEU 29 HD12 LEU 29 5.755 19.565 8.237 982 HD13 LEU 29 HD13 LEU 29 4.751 18.286 7.515 983 HD21 LEU 29 HD21 LEU 29 6.722 17.594 5.239 984 HD22 LEU 29 HD22 LEU 29 4.966 17.788 5.048 985 HD23 LEU 29 HD23 LEU 29 6.083 18.751 4.052 986 H SER 30 H SER 30 6.557 22.986 5.526 987 HA SER 30 HA SER 30 8.326 22.930 3.234 988 HB2 SER 30 HB1 SER 30 9.840 24.296 4.663 989 HB3 SER 30 HB2 SER 30 8.180 24.931 4.561 990 HG SER 30 HG SER 30 8.993 24.910 6.704 991 H ARG 31 H ARG 31 10.431 21.958 2.943 992 HA ARG 31 HA ARG 31 11.052 19.541 4.235 993 HB2 ARG 31 HB1 ARG 31 13.479 21.002 3.519 994 HB3 ARG 31 HB2 ARG 31 12.887 19.409 2.995 995 HG2 ARG 31 HG1 ARG 31 11.360 20.725 1.396 996 HG3 ARG 31 HG2 ARG 31 12.425 22.107 1.746 997 HD2 ARG 31 HD1 ARG 31 13.255 21.068 -0.243 998 HD3 ARG 31 HD2 ARG 31 14.382 20.669 1.071 999 HE ARG 31 HE ARG 31 13.812 18.444 0.920 1000 HH11 ARG 31 HH12 ARG 31 11.840 20.148 -1.511 1001 HH12 ARG 31 HH11 ARG 31 11.276 18.656 -2.205 1002 HH21 ARG 31 HH22 ARG 31 12.957 16.619 0.033 1003 HH22 ARG 31 HH21 ARG 31 11.894 16.708 -1.350 1004 H LYS 32 H LYS 32 11.589 22.761 5.281 1005 HA LYS 32 HA LYS 32 13.392 22.426 7.461 1006 HB2 LYS 32 HB1 LYS 32 12.947 24.419 6.136 1007 HB3 LYS 32 HB2 LYS 32 11.263 24.435 6.709 1008 HG2 LYS 32 HG1 LYS 32 13.483 24.678 8.693 1009 HG3 LYS 32 HG2 LYS 32 13.055 26.076 7.677 1010 HD2 LYS 32 HD1 LYS 32 11.201 24.565 9.541 1011 HD3 LYS 32 HD2 LYS 32 11.901 26.177 9.821 1012 HE2 LYS 32 HE1 LYS 32 10.622 27.131 8.017 1013 HE3 LYS 32 HE2 LYS 32 10.085 25.527 7.472 1014 HZ1 LYS 32 HZ1 LYS 32 8.392 26.658 8.709 1015 HZ2 LYS 32 HZ2 LYS 32 8.878 25.306 9.517 1016 HZ3 LYS 32 HZ3 LYS 32 9.378 26.795 10.024 1017 H GLU 33 H GLU 33 9.732 22.630 7.441 1018 HA GLU 33 HA GLU 33 9.476 21.741 10.137 1019 HB2 GLU 33 HB1 GLU 33 7.613 21.580 7.755 1020 HB3 GLU 33 HB2 GLU 33 7.166 20.974 9.368 1021 HG2 GLU 33 HG1 GLU 33 7.867 23.827 8.628 1022 HG3 GLU 33 HG2 GLU 33 6.252 23.191 9.011 1023 H LEU 34 H LEU 34 9.648 19.841 7.046 1024 HA LEU 34 HA LEU 34 9.013 17.314 8.092 1025 HB2 LEU 34 HB1 LEU 34 9.238 17.744 5.703 1026 HB3 LEU 34 HB2 LEU 34 10.977 18.072 5.896 1027 HG LEU 34 HG LEU 34 11.284 15.719 6.674 1028 HD11 LEU 34 HD11 LEU 34 9.505 14.049 6.252 1029 HD12 LEU 34 HD12 LEU 34 8.986 15.261 7.441 1030 HD13 LEU 34 HD13 LEU 34 8.405 15.356 5.761 1031 HD21 LEU 34 HD21 LEU 34 11.059 14.640 4.455 1032 HD22 LEU 34 HD22 LEU 34 9.986 15.956 3.932 1033 HD23 LEU 34 HD23 LEU 34 11.693 16.295 4.310 1034 H LYS 35 H LYS 35 12.202 18.948 8.007 1035 HA LYS 35 HA LYS 35 13.800 16.880 9.097 1036 HB2 LYS 35 HB1 LYS 35 14.528 18.954 7.890 1037 HB3 LYS 35 HB2 LYS 35 14.062 19.910 9.318 1038 HG2 LYS 35 HG1 LYS 35 15.723 18.359 10.596 1039 HG3 LYS 35 HG2 LYS 35 16.360 17.988 8.975 1040 HD2 LYS 35 HD1 LYS 35 16.096 20.796 10.096 1041 HD3 LYS 35 HD2 LYS 35 17.578 19.816 10.203 1042 HE2 LYS 35 HE1 LYS 35 17.755 19.768 7.762 1043 HE3 LYS 35 HE2 LYS 35 16.229 20.668 7.611 1044 HZ1 LYS 35 HZ1 LYS 35 18.133 22.109 7.412 1045 HZ2 LYS 35 HZ2 LYS 35 17.269 22.500 8.762 1046 HZ3 LYS 35 HZ3 LYS 35 18.685 21.666 8.902 1047 H GLU 36 H GLU 36 11.746 19.376 10.694 1048 HA GLU 36 HA GLU 36 12.435 18.451 13.329 1049 HB2 GLU 36 HB1 GLU 36 11.516 20.701 13.061 1050 HB3 GLU 36 HB2 GLU 36 10.010 20.043 12.382 1051 HG2 GLU 36 HG1 GLU 36 9.362 19.065 14.369 1052 HG3 GLU 36 HG2 GLU 36 11.034 18.891 14.946 1053 H LEU 37 H LEU 37 9.540 17.855 11.281 1054 HA LEU 37 HA LEU 37 7.984 16.283 12.911 1055 HB2 LEU 37 HB1 LEU 37 7.202 17.126 10.837 1056 HB3 LEU 37 HB2 LEU 37 8.495 16.308 9.930 1057 HG LEU 37 HG LEU 37 7.410 14.132 10.378 1058 HD11 LEU 37 HD11 LEU 37 5.074 14.063 11.205 1059 HD12 LEU 37 HD12 LEU 37 6.175 14.692 12.447 1060 HD13 LEU 37 HD13 LEU 37 5.141 15.810 11.523 1061 HD21 LEU 37 HD21 LEU 37 5.481 14.492 8.842 1062 HD22 LEU 37 HD22 LEU 37 5.566 16.242 9.152 1063 HD23 LEU 37 HD23 LEU 37 6.901 15.420 8.309 1064 H ILE 38 H ILE 38 10.425 15.021 10.580 1065 HA ILE 38 HA ILE 38 10.101 12.323 11.290 1066 HB ILE 38 HB ILE 38 12.248 11.931 10.125 1067 HG12 ILE 38 HG13 ILE 38 12.782 14.268 8.760 1068 HG13 ILE 38 HG12 ILE 38 12.563 14.829 10.434 1069 HG21 ILE 38 HG21 ILE 38 11.373 12.611 7.911 1070 HG22 ILE 38 HG22 ILE 38 10.078 11.989 8.959 1071 HG23 ILE 38 HG23 ILE 38 10.253 13.741 8.703 1072 HD11 ILE 38 HD11 ILE 38 14.927 14.299 9.975 1073 HD12 ILE 38 HD12 ILE 38 14.246 13.208 11.200 1074 HD13 ILE 38 HD13 ILE 38 14.465 12.644 9.526 1075 H LYS 39 H LYS 39 12.038 14.747 13.055 1076 HA LYS 39 HA LYS 39 13.317 12.600 14.617 1077 HB2 LYS 39 HB1 LYS 39 13.525 15.624 14.568 1078 HB3 LYS 39 HB2 LYS 39 14.454 14.579 15.668 1079 HG2 LYS 39 HG1 LYS 39 14.638 14.660 12.650 1080 HG3 LYS 39 HG2 LYS 39 15.817 15.317 13.809 1081 HD2 LYS 39 HD1 LYS 39 15.176 12.365 13.533 1082 HD3 LYS 39 HD2 LYS 39 16.506 13.186 12.683 1083 HE2 LYS 39 HE1 LYS 39 17.362 13.904 14.972 1084 HE3 LYS 39 HE2 LYS 39 16.166 12.793 15.675 1085 HZ1 LYS 39 HZ1 LYS 39 18.312 11.764 15.455 1086 HZ2 LYS 39 HZ2 LYS 39 17.218 11.008 14.482 1087 HZ3 LYS 39 HZ3 LYS 39 18.328 12.038 13.829 1088 H LYS 40 H LYS 40 10.453 14.687 14.939 1089 HA LYS 40 HA LYS 40 10.158 13.952 17.769 1090 HB2 LYS 40 HB1 LYS 40 7.966 14.904 15.914 1091 HB3 LYS 40 HB2 LYS 40 8.010 14.971 17.691 1092 HG2 LYS 40 HG1 LYS 40 9.658 16.582 15.751 1093 HG3 LYS 40 HG2 LYS 40 8.315 17.159 16.767 1094 HD2 LYS 40 HD1 LYS 40 9.669 17.029 18.761 1095 HD3 LYS 40 HD2 LYS 40 10.967 16.171 17.897 1096 HE2 LYS 40 HE1 LYS 40 11.454 17.992 16.524 1097 HE3 LYS 40 HE2 LYS 40 9.839 18.702 16.732 1098 HZ1 LYS 40 HZ1 LYS 40 11.537 20.067 17.680 1099 HZ2 LYS 40 HZ2 LYS 40 10.530 19.498 18.844 1100 HZ3 LYS 40 HZ3 LYS 40 12.029 18.839 18.652 1101 H GLU 41 H GLU 41 9.213 12.807 14.641 1102 HA GLU 41 HA GLU 41 7.316 10.789 15.442 1103 HB2 GLU 41 HB1 GLU 41 8.823 11.495 12.917 1104 HB3 GLU 41 HB2 GLU 41 7.857 10.004 13.025 1105 HG2 GLU 41 HG1 GLU 41 5.886 11.497 13.674 1106 HG3 GLU 41 HG2 GLU 41 6.893 12.872 13.175 1107 H LEU 42 H LEU 42 10.781 10.723 14.339 1108 HA LEU 42 HA LEU 42 10.852 7.868 15.162 1109 HB2 LEU 42 HB1 LEU 42 10.815 8.541 12.621 1110 HB3 LEU 42 HB2 LEU 42 12.527 8.942 12.903 1111 HG LEU 42 HG LEU 42 12.745 6.612 13.942 1112 HD11 LEU 42 HD11 LEU 42 11.108 4.900 13.187 1113 HD12 LEU 42 HD12 LEU 42 10.333 6.121 14.220 1114 HD13 LEU 42 HD13 LEU 42 10.115 6.181 12.455 1115 HD21 LEU 42 HD21 LEU 42 13.005 5.530 11.724 1116 HD22 LEU 42 HD22 LEU 42 12.033 6.821 10.984 1117 HD23 LEU 42 HD23 LEU 42 13.617 7.198 11.700 1118 H CYS 43 H CYS 43 11.984 7.622 16.836 1119 HA CYS 43 HA CYS 43 14.254 9.391 17.520 1120 HB2 CYS 43 HB1 CYS 43 12.235 9.050 19.058 1121 HB3 CYS 43 HB2 CYS 43 12.830 7.387 19.295 1122 HG CYS 43 HG CYS 43 13.610 8.905 21.287 1123 H LEU 44 H LEU 44 15.748 8.585 16.187 1124 HA LEU 44 HA LEU 44 16.925 6.022 17.016 1125 HB2 LEU 44 HB1 LEU 44 17.552 5.592 14.623 1126 HB3 LEU 44 HB2 LEU 44 15.853 5.335 15.091 1127 HG LEU 44 HG LEU 44 15.091 7.074 13.823 1128 HD11 LEU 44 HD11 LEU 44 16.384 8.857 12.694 1129 HD12 LEU 44 HD12 LEU 44 16.572 8.921 14.453 1130 HD13 LEU 44 HD13 LEU 44 17.866 8.236 13.442 1131 HD21 LEU 44 HD21 LEU 44 16.056 6.693 11.573 1132 HD22 LEU 44 HD22 LEU 44 17.508 5.994 12.324 1133 HD23 LEU 44 HD23 LEU 44 15.935 5.179 12.496 1134 H GLY 45 H GLY 45 17.472 9.055 17.351 1135 HA2 GLY 45 HA2 GLY 45 19.935 8.652 16.466 1136 H GLU 46 H GLU 46 18.900 7.765 19.168 1137 HA GLU 46 HA GLU 46 21.325 6.803 20.252 1138 HB2 GLU 46 HB1 GLU 46 19.899 5.164 21.352 1139 HB3 GLU 46 HB2 GLU 46 19.165 6.785 21.404 1140 HG2 GLU 46 HG1 GLU 46 18.308 4.949 19.206 1141 HG3 GLU 46 HG2 GLU 46 17.763 4.573 20.855 1142 H MET 47 H MET 47 20.373 6.248 17.102 1143 HA MET 47 HA MET 47 21.987 3.767 17.031 1144 HB2 MET 47 HB1 MET 47 19.375 4.245 15.585 1145 HB3 MET 47 HB2 MET 47 20.515 2.935 15.190 1146 HG2 MET 47 HG1 MET 47 20.192 1.986 17.439 1147 HG3 MET 47 HG2 MET 47 19.048 3.283 17.824 1148 HE1 MET 47 HE1 MET 47 16.024 2.691 15.615 1149 HE2 MET 47 HE2 MET 47 16.706 3.498 17.051 1150 HE3 MET 47 HE3 MET 47 17.367 3.850 15.437 1151 H LYS 48 H LYS 48 20.362 5.946 14.671 1152 HA LYS 48 HA LYS 48 22.875 6.215 13.094 1153 HB2 LYS 48 HB1 LYS 48 19.922 6.022 12.404 1154 HB3 LYS 48 HB2 LYS 48 21.096 6.718 11.261 1155 HG2 LYS 48 HG1 LYS 48 20.780 4.531 10.561 1156 HG3 LYS 48 HG2 LYS 48 22.344 4.538 11.408 1157 HD2 LYS 48 HD1 LYS 48 21.005 2.485 11.783 1158 HD3 LYS 48 HD2 LYS 48 21.399 3.358 13.282 1159 HE2 LYS 48 HE1 LYS 48 19.192 4.209 13.498 1160 HE3 LYS 48 HE2 LYS 48 18.784 3.813 11.814 1161 HZ1 LYS 48 HZ1 LYS 48 17.780 2.285 13.354 1162 HZ2 LYS 48 HZ2 LYS 48 18.872 1.498 12.405 1163 HZ3 LYS 48 HZ3 LYS 48 19.250 1.864 13.967 1164 H GLU 49 H GLU 49 23.689 8.285 13.241 1165 HA GLU 49 HA GLU 49 21.819 10.395 12.277 1166 HB2 GLU 49 HB1 GLU 49 24.101 10.883 14.223 1167 HB3 GLU 49 HB2 GLU 49 23.096 12.129 13.444 1168 HG2 GLU 49 HG1 GLU 49 21.973 10.038 15.304 1169 HG3 GLU 49 HG2 GLU 49 22.621 11.591 15.874 1170 H SER 50 H SER 50 25.294 9.653 12.902 1171 HA SER 50 HA SER 50 26.546 10.550 10.618 1172 HB2 SER 50 HB1 SER 50 27.004 7.807 11.850 1173 HB3 SER 50 HB2 SER 50 28.199 8.859 11.054 1174 HG SER 50 HG SER 50 28.337 8.936 13.353 1175 H SER 51 H SER 51 26.191 10.260 8.515 1176 HA SER 51 HA SER 51 25.903 9.325 6.502 1177 HB2 SER 51 HB1 SER 51 26.940 7.221 7.459 1178 HB3 SER 51 HB2 SER 51 25.283 6.614 7.690 1179 HG SER 51 HG SER 51 26.177 6.003 5.661 1180 H ILE 52 H ILE 52 23.336 9.323 8.841 1181 HA ILE 52 HA ILE 52 21.517 9.370 6.500 1182 HB ILE 52 HB ILE 52 19.622 9.230 7.923 1183 HG12 ILE 52 HG13 ILE 52 19.857 8.462 10.312 1184 HG13 ILE 52 HG12 ILE 52 21.501 9.144 10.278 1185 HG21 ILE 52 HG21 ILE 52 19.963 6.873 8.639 1186 HG22 ILE 52 HG22 ILE 52 20.734 7.197 7.070 1187 HG23 ILE 52 HG23 ILE 52 21.722 7.109 8.549 1188 HD11 ILE 52 HD11 ILE 52 19.903 10.723 11.320 1189 HD12 ILE 52 HD12 ILE 52 20.567 11.374 9.807 1190 HD13 ILE 52 HD13 ILE 52 18.923 10.693 9.839 1191 H ASP 53 H ASP 53 23.089 11.419 8.739 1192 HA ASP 53 HA ASP 53 21.801 13.873 8.457 1193 HB2 ASP 53 HB1 ASP 53 23.647 13.449 9.954 1194 HB3 ASP 53 HB2 ASP 53 24.730 13.083 8.594 1195 H ASP 54 H ASP 54 23.484 12.085 5.906 1196 HA ASP 54 HA ASP 54 23.760 14.244 4.053 1197 HB2 ASP 54 HB1 ASP 54 24.864 12.072 3.763 1198 HB3 ASP 54 HB2 ASP 54 23.286 11.272 3.593 1199 H LEU 55 H LEU 55 21.033 11.960 4.653 1200 HA LEU 55 HA LEU 55 19.238 13.096 2.747 1201 HB2 LEU 55 HB1 LEU 55 18.563 11.741 5.373 1202 HB3 LEU 55 HB2 LEU 55 17.495 11.944 3.964 1203 HG LEU 55 HG LEU 55 19.960 10.192 4.126 1204 HD11 LEU 55 HD11 LEU 55 18.327 8.338 3.959 1205 HD12 LEU 55 HD12 LEU 55 18.019 9.344 5.393 1206 HD13 LEU 55 HD13 LEU 55 16.993 9.516 3.948 1207 HD21 LEU 55 HD21 LEU 55 19.322 9.362 1.887 1208 HD22 LEU 55 HD22 LEU 55 18.000 10.548 1.829 1209 HD23 LEU 55 HD23 LEU 55 19.693 11.100 1.856 1210 H MET 56 H MET 56 19.880 13.831 6.216 1211 HA MET 56 HA MET 56 18.006 15.916 6.526 1212 HB2 MET 56 HB1 MET 56 20.768 15.672 7.764 1213 HB3 MET 56 HB2 MET 56 19.466 16.749 8.324 1214 HG2 MET 56 HG1 MET 56 19.323 13.714 8.225 1215 HG3 MET 56 HG2 MET 56 19.654 14.676 9.676 1216 HE1 MET 56 HE1 MET 56 16.395 15.922 10.930 1217 HE2 MET 56 HE2 MET 56 17.955 15.162 11.330 1218 HE3 MET 56 HE3 MET 56 17.918 16.690 10.417 1219 H LYS 57 H LYS 57 21.316 16.020 5.169 1220 HA LYS 57 HA LYS 57 21.526 18.808 4.725 1221 HB2 LYS 57 HB1 LYS 57 23.169 16.626 4.439 1222 HB3 LYS 57 HB2 LYS 57 22.804 16.991 2.736 1223 HG2 LYS 57 HG1 LYS 57 24.812 18.190 3.383 1224 HG3 LYS 57 HG2 LYS 57 23.493 19.364 3.155 1225 HD2 LYS 57 HD1 LYS 57 24.344 20.093 5.171 1226 HD3 LYS 57 HD2 LYS 57 23.107 18.946 5.740 1227 HE2 LYS 57 HE1 LYS 57 25.914 17.968 5.297 1228 HE3 LYS 57 HE2 LYS 57 25.551 18.928 6.747 1229 HZ1 LYS 57 HZ1 LYS 57 25.307 16.590 7.149 1230 HZ2 LYS 57 HZ2 LYS 57 23.850 17.346 7.295 1231 HZ3 LYS 57 HZ3 LYS 57 24.185 16.453 5.949 1232 H SER 58 H SER 58 20.383 16.221 2.696 1233 HA SER 58 HA SER 58 19.765 17.709 0.368 1234 HB2 SER 58 HB1 SER 58 18.736 15.074 1.451 1235 HB3 SER 58 HB2 SER 58 18.281 15.719 -0.143 1236 HG SER 58 HG SER 58 20.118 14.336 -0.236 1237 H LEU 59 H LEU 59 17.802 17.222 3.353 1238 HA LEU 59 HA LEU 59 15.579 18.763 2.262 1239 HB2 LEU 59 HB1 LEU 59 16.284 18.133 5.145 1240 HB3 LEU 59 HB2 LEU 59 14.735 18.778 4.551 1241 HG LEU 59 HG LEU 59 15.882 16.014 4.099 1242 HD11 LEU 59 HD11 LEU 59 13.885 15.324 5.392 1243 HD12 LEU 59 HD12 LEU 59 14.898 16.455 6.321 1244 HD13 LEU 59 HD13 LEU 59 13.399 17.029 5.551 1245 HD21 LEU 59 HD21 LEU 59 13.812 15.464 2.871 1246 HD22 LEU 59 HD22 LEU 59 13.301 17.163 2.979 1247 HD23 LEU 59 HD23 LEU 59 14.748 16.725 2.039 1248 H ASP 60 H ASP 60 18.190 19.409 4.588 1249 HA ASP 60 HA ASP 60 17.757 21.997 5.405 1250 HB2 ASP 60 HB1 ASP 60 19.441 20.396 6.236 1251 HB3 ASP 60 HB2 ASP 60 20.345 20.541 4.713 1252 H LYS 61 H LYS 61 19.488 21.011 2.400 1253 HA LYS 61 HA LYS 61 20.521 23.573 1.830 1254 HB2 LYS 61 HB1 LYS 61 19.998 21.048 0.264 1255 HB3 LYS 61 HB2 LYS 61 20.603 22.505 -0.560 1256 HG2 LYS 61 HG1 LYS 61 22.011 21.680 1.936 1257 HG3 LYS 61 HG2 LYS 61 22.226 20.640 0.508 1258 HD2 LYS 61 HD1 LYS 61 23.978 22.376 0.703 1259 HD3 LYS 61 HD2 LYS 61 23.032 22.508 -0.799 1260 HE2 LYS 61 HE1 LYS 61 22.240 24.182 1.558 1261 HE3 LYS 61 HE2 LYS 61 23.689 24.636 0.634 1262 HZ1 LYS 61 HZ1 LYS 61 21.738 25.776 -0.156 1263 HZ2 LYS 61 HZ2 LYS 61 22.321 24.772 -1.322 1264 HZ3 LYS 61 HZ3 LYS 61 20.976 24.349 -0.466 1265 H ASN 62 H ASN 62 17.275 22.385 1.347 1266 HA ASN 62 HA ASN 62 16.693 24.689 -0.454 1267 HB2 ASN 62 HB1 ASN 62 15.457 21.917 -0.367 1268 HB3 ASN 62 HB2 ASN 62 14.891 23.252 -1.393 1269 HD21 ASN 62 HD21 ASN 62 15.324 21.124 -2.794 1270 HD22 ASN 62 HD22 ASN 62 16.858 21.149 -3.644 1271 H SER 63 H SER 63 15.572 22.745 2.248 1272 HA SER 63 HA SER 63 14.241 22.995 3.956 1273 HB2 SER 63 HB1 SER 63 15.572 25.677 3.806 1274 HB3 SER 63 HB2 SER 63 14.499 25.245 5.158 1275 HG SER 63 HG SER 63 16.704 24.693 5.559 1276 H ASP 64 H ASP 64 13.317 25.977 2.045 1277 HA ASP 64 HA ASP 64 10.844 25.891 3.703 1278 HB2 ASP 64 HB1 ASP 64 12.612 28.202 2.899 1279 HB3 ASP 64 HB2 ASP 64 10.940 28.440 3.449 1280 H GLN 65 H GLN 65 11.823 25.120 0.775 1281 HA GLN 65 HA GLN 65 9.288 25.772 -0.506 1282 HB2 GLN 65 HB1 GLN 65 10.092 23.752 -1.960 1283 HB3 GLN 65 HB2 GLN 65 10.849 25.354 -2.120 1284 HG2 GLN 65 HG1 GLN 65 12.843 24.645 -1.151 1285 HG3 GLN 65 HG2 GLN 65 12.086 23.238 -0.374 1286 HE21 GLN 65 HE12 GLN 65 12.499 24.560 -3.744 1287 HE22 GLN 65 HE22 GLN 65 12.882 23.011 -4.456 1288 H GLU 66 H GLU 66 7.841 24.110 -1.193 1289 HA GLU 66 HA GLU 66 6.991 22.557 1.071 1290 HB2 GLU 66 HB1 GLU 66 5.775 22.874 -1.684 1291 HB3 GLU 66 HB2 GLU 66 4.995 22.098 -0.284 1292 HG2 GLU 66 HG1 GLU 66 5.107 24.265 0.938 1293 HG3 GLU 66 HG2 GLU 66 5.802 25.022 -0.512 1294 H ILE 67 H ILE 67 6.628 20.550 1.310 1295 HA ILE 67 HA ILE 67 7.546 18.412 -0.554 1296 HB ILE 67 HB ILE 67 7.869 18.940 2.370 1297 HG12 ILE 67 HG13 ILE 67 9.540 17.793 0.120 1298 HG13 ILE 67 HG12 ILE 67 9.691 19.382 0.907 1299 HG21 ILE 67 HG21 ILE 67 8.383 16.618 3.017 1300 HG22 ILE 67 HG22 ILE 67 6.681 16.830 2.573 1301 HG23 ILE 67 HG23 ILE 67 7.815 16.067 1.432 1302 HD11 ILE 67 HD11 ILE 67 11.461 17.840 1.665 1303 HD12 ILE 67 HD12 ILE 67 10.371 18.283 2.998 1304 HD13 ILE 67 HD13 ILE 67 10.219 16.692 2.213 1305 H ASP 68 H ASP 68 5.767 17.517 -1.407 1306 HA ASP 68 HA ASP 68 3.223 17.369 0.050 1307 HB2 ASP 68 HB1 ASP 68 3.522 17.750 -2.447 1308 HB3 ASP 68 HB2 ASP 68 3.986 16.039 -2.559 1309 H PHE 69 H PHE 69 2.146 15.234 0.401 1310 HA PHE 69 HA PHE 69 3.511 13.841 2.365 1311 HB2 PHE 69 HB1 PHE 69 0.980 14.092 1.641 1312 HB3 PHE 69 HB2 PHE 69 1.274 12.538 0.841 1313 HD1 PHE 69 HD2 PHE 69 2.106 10.557 2.326 1314 HD2 PHE 69 HD1 PHE 69 0.466 14.206 3.911 1315 HE1 PHE 69 HE2 PHE 69 1.528 9.377 4.434 1316 HE2 PHE 69 HE1 PHE 69 -0.057 13.042 6.037 1317 HZ PHE 69 HZ PHE 69 0.457 10.625 6.303 1318 H LYS 70 H LYS 70 3.564 13.121 -1.066 1319 HA LYS 70 HA LYS 70 4.453 10.441 -1.153 1320 HB2 LYS 70 HB1 LYS 70 3.636 11.968 -2.984 1321 HB3 LYS 70 HB2 LYS 70 5.165 12.872 -2.857 1322 HG2 LYS 70 HG1 LYS 70 6.027 10.266 -3.246 1323 HG3 LYS 70 HG2 LYS 70 4.565 10.355 -4.259 1324 HD2 LYS 70 HD1 LYS 70 6.382 11.025 -5.666 1325 HD3 LYS 70 HD2 LYS 70 5.527 12.524 -5.225 1326 HE2 LYS 70 HE1 LYS 70 7.176 12.894 -3.395 1327 HE3 LYS 70 HE2 LYS 70 8.046 11.431 -3.903 1328 HZ1 LYS 70 HZ1 LYS 70 9.065 13.411 -4.754 1329 HZ2 LYS 70 HZ2 LYS 70 8.484 12.492 -5.992 1330 HZ3 LYS 70 HZ3 LYS 70 7.677 13.851 -5.521 1331 H GLU 71 H GLU 71 6.273 13.500 -1.068 1332 HA GLU 71 HA GLU 71 8.927 12.526 -1.116 1333 HB2 GLU 71 HB1 GLU 71 7.681 14.998 0.154 1334 HB3 GLU 71 HB2 GLU 71 9.428 14.754 -0.081 1335 HG2 GLU 71 HG1 GLU 71 7.605 14.650 -2.461 1336 HG3 GLU 71 HG2 GLU 71 8.027 16.223 -1.752 1337 H TYR 72 H TYR 72 6.649 13.246 1.534 1338 HA TYR 72 HA TYR 72 8.469 12.825 3.703 1339 HB2 TYR 72 HB1 TYR 72 6.664 14.121 4.247 1340 HB3 TYR 72 HB2 TYR 72 5.531 13.147 3.296 1341 HD1 TYR 72 HD1 TYR 72 7.403 13.262 6.534 1342 HD2 TYR 72 HD2 TYR 72 4.201 11.465 4.292 1343 HE1 TYR 72 HE1 TYR 72 6.477 12.318 8.630 1344 HE2 TYR 72 HE2 TYR 72 3.296 10.472 6.382 1345 HH TYR 72 HH TYR 72 3.486 10.320 8.663 1346 H SER 73 H SER 73 6.051 10.628 2.157 1347 HA SER 73 HA SER 73 6.700 8.461 3.921 1348 HB2 SER 73 HB1 SER 73 5.309 7.098 2.496 1349 HB3 SER 73 HB2 SER 73 4.529 8.668 2.800 1350 HG SER 73 HG SER 73 4.409 8.023 0.607 1351 H VAL 74 H VAL 74 7.961 9.295 0.587 1352 HA VAL 74 HA VAL 74 9.551 6.921 0.503 1353 HB VAL 74 HB VAL 74 10.934 7.904 -1.187 1354 HG11 VAL 74 HG11 VAL 74 9.220 8.141 -2.937 1355 HG12 VAL 74 HG12 VAL 74 8.834 6.834 -1.800 1356 HG13 VAL 74 HG13 VAL 74 7.988 8.397 -1.685 1357 HG21 VAL 74 HG21 VAL 74 10.556 10.106 -2.207 1358 HG22 VAL 74 HG22 VAL 74 9.384 10.480 -0.932 1359 HG23 VAL 74 HG23 VAL 74 11.098 10.230 -0.525 1360 H PHE 75 H PHE 75 10.233 10.159 1.924 1361 HA PHE 75 HA PHE 75 12.980 9.629 2.511 1362 HB2 PHE 75 HB1 PHE 75 11.789 11.863 2.555 1363 HB3 PHE 75 HB2 PHE 75 11.049 11.366 4.085 1364 HD1 PHE 75 HD1 PHE 75 12.602 10.905 6.115 1365 HD2 PHE 75 HD2 PHE 75 14.002 12.685 2.449 1366 HE1 PHE 75 HE1 PHE 75 14.569 11.842 7.309 1367 HE2 PHE 75 HE2 PHE 75 15.918 13.683 3.664 1368 HZ PHE 75 HZ PHE 75 16.211 13.258 6.095 1369 H LEU 76 H LEU 76 9.996 9.238 4.553 1370 HA LEU 76 HA LEU 76 11.325 8.075 6.770 1371 HB2 LEU 76 HB1 LEU 76 8.498 8.027 5.729 1372 HB3 LEU 76 HB2 LEU 76 8.960 7.001 7.108 1373 HG LEU 76 HG LEU 76 9.250 10.028 7.010 1374 HD11 LEU 76 HD11 LEU 76 7.312 9.981 8.564 1375 HD12 LEU 76 HD12 LEU 76 6.892 9.245 6.998 1376 HD13 LEU 76 HD13 LEU 76 7.228 8.209 8.405 1377 HD21 LEU 76 HD21 LEU 76 9.635 9.825 9.458 1378 HD22 LEU 76 HD22 LEU 76 9.544 8.055 9.322 1379 HD23 LEU 76 HD23 LEU 76 10.876 8.941 8.541 1380 H THR 77 H THR 77 9.957 6.552 3.818 1381 HA THR 77 HA THR 77 10.383 3.840 4.620 1382 HB THR 77 HB THR 77 10.139 5.102 1.876 1383 HG1 THR 77 HG1 THR 77 8.014 4.290 2.133 1384 HG21 THR 77 HG21 THR 77 9.560 2.840 1.055 1385 HG22 THR 77 HG22 THR 77 11.221 2.895 1.683 1386 HG23 THR 77 HG23 THR 77 9.921 2.171 2.660 1387 H MET 78 H MET 78 12.311 6.005 2.518 1388 HA MET 78 HA MET 78 14.569 4.430 2.074 1389 HB2 MET 78 HB1 MET 78 14.180 6.489 0.907 1390 HB3 MET 78 HB2 MET 78 14.168 7.419 2.425 1391 HG2 MET 78 HG1 MET 78 16.506 7.184 2.701 1392 HG3 MET 78 HG2 MET 78 16.610 5.939 1.446 1393 HE1 MET 78 HE1 MET 78 15.591 10.366 0.396 1394 HE2 MET 78 HE2 MET 78 14.416 9.191 1.024 1395 HE3 MET 78 HE3 MET 78 15.727 9.788 2.070 1396 H LEU 79 H LEU 79 13.993 6.705 4.816 1397 HA LEU 79 HA LEU 79 16.532 6.206 6.041 1398 HB2 LEU 79 HB1 LEU 79 15.268 8.278 6.314 1399 HB3 LEU 79 HB2 LEU 79 13.960 7.390 7.130 1400 HG LEU 79 HG LEU 79 15.281 6.992 9.044 1401 HD11 LEU 79 HD11 LEU 79 17.664 7.631 9.280 1402 HD12 LEU 79 HD12 LEU 79 17.438 6.430 7.991 1403 HD13 LEU 79 HD13 LEU 79 17.688 8.144 7.581 1404 HD21 LEU 79 HD21 LEU 79 15.871 9.288 9.766 1405 HD22 LEU 79 HD22 LEU 79 15.850 9.823 8.070 1406 HD23 LEU 79 HD23 LEU 79 14.348 9.270 8.849 1407 H CYS 80 H CYS 80 13.202 4.943 6.801 1408 HA CYS 80 HA CYS 80 14.035 3.376 9.015 1409 HB2 CYS 80 HB1 CYS 80 11.691 4.000 8.382 1410 HB3 CYS 80 HB2 CYS 80 11.774 2.803 7.067 1411 HG CYS 80 HG CYS 80 10.398 1.828 9.070 1412 H MET 81 H MET 81 13.859 2.534 5.526 1413 HA MET 81 HA MET 81 14.776 -0.152 5.932 1414 HB2 MET 81 HB1 MET 81 13.399 0.970 3.975 1415 HB3 MET 81 HB2 MET 81 15.018 1.176 3.267 1416 HG2 MET 81 HG1 MET 81 15.351 -1.336 3.912 1417 HG3 MET 81 HG2 MET 81 13.583 -1.375 4.027 1418 HE1 MET 81 HE1 MET 81 16.192 -0.813 0.316 1419 HE2 MET 81 HE2 MET 81 16.254 0.301 1.705 1420 HE3 MET 81 HE3 MET 81 16.702 -1.410 1.916 1421 H ALA 82 H ALA 82 16.528 2.813 5.860 1422 HA ALA 82 HA ALA 82 19.033 1.935 4.880 1423 HB1 ALA 82 HB1 ALA 82 19.917 3.970 5.967 1424 HB2 ALA 82 HB2 ALA 82 18.400 4.296 5.102 1425 HB3 ALA 82 HB3 ALA 82 18.397 4.141 6.875 1426 H TYR 83 H TYR 83 17.651 0.376 7.301 1427 HA TYR 83 HA TYR 83 20.105 -0.622 8.424 1428 HB2 TYR 83 HB1 TYR 83 19.485 -0.073 10.794 1429 HB3 TYR 83 HB2 TYR 83 20.007 1.299 9.803 1430 HD1 TYR 83 HD1 TYR 83 17.077 -0.342 11.395 1431 HD2 TYR 83 HD2 TYR 83 18.564 3.173 9.400 1432 HE1 TYR 83 HE1 TYR 83 15.017 0.885 12.039 1433 HE2 TYR 83 HE2 TYR 83 16.552 4.443 10.128 1434 HH TYR 83 HH TYR 83 14.492 4.313 11.148 1435 H ASN 84 H ASN 84 17.373 -1.455 7.110 1436 HA ASN 84 HA ASN 84 16.472 -3.386 9.157 1437 HB2 ASN 84 HB1 ASN 84 15.102 -2.234 6.734 1438 HB3 ASN 84 HB2 ASN 84 14.446 -3.604 7.657 1439 HD21 ASN 84 HD21 ASN 84 13.016 -1.202 7.422 1440 HD22 ASN 84 HD22 ASN 84 12.939 -0.427 8.996 1441 H ASP 85 H ASP 85 18.653 -3.515 6.673 1442 HA ASP 85 HA ASP 85 18.830 -6.220 6.179 1443 HB2 ASP 85 HB1 ASP 85 21.289 -5.843 6.836 1444 HB3 ASP 85 HB2 ASP 85 20.622 -4.731 5.621 1445 H PHE 86 H PHE 86 18.756 -4.683 9.373 1446 HA PHE 86 HA PHE 86 19.676 -6.745 11.032 1447 HB2 PHE 86 HB1 PHE 86 18.986 -4.260 11.411 1448 HB3 PHE 86 HB2 PHE 86 17.367 -4.921 11.706 1449 HD1 PHE 86 HD1 PHE 86 20.813 -4.645 12.965 1450 HD2 PHE 86 HD2 PHE 86 16.886 -6.239 13.736 1451 HE1 PHE 86 HE1 PHE 86 21.439 -5.029 15.336 1452 HE2 PHE 86 HE2 PHE 86 17.521 -6.644 16.104 1453 HZ PHE 86 HZ PHE 86 19.792 -6.031 16.911 1454 H PHE 87 H PHE 87 16.806 -6.809 9.090 1455 HA PHE 87 HA PHE 87 15.683 -9.070 10.655 1456 HB2 PHE 87 HB1 PHE 87 14.416 -7.488 8.396 1457 HB3 PHE 87 HB2 PHE 87 13.616 -8.647 9.470 1458 HD1 PHE 87 HD1 PHE 87 14.354 -7.851 12.162 1459 HD2 PHE 87 HD2 PHE 87 13.540 -5.394 8.720 1460 HE1 PHE 87 HE1 PHE 87 13.692 -5.975 13.654 1461 HE2 PHE 87 HE2 PHE 87 12.875 -3.523 10.210 1462 HZ PHE 87 HZ PHE 87 12.964 -3.807 12.677 1463 H LEU 88 H LEU 88 17.792 -8.692 8.164 1464 HA LEU 88 HA LEU 88 16.715 -10.667 6.281 1465 HB2 LEU 88 HB1 LEU 88 17.954 -8.274 5.949 1466 HB3 LEU 88 HB2 LEU 88 19.337 -9.382 5.791 1467 HG LEU 88 HG LEU 88 16.755 -9.499 4.215 1468 HD11 LEU 88 HD11 LEU 88 18.114 -8.800 2.272 1469 HD12 LEU 88 HD12 LEU 88 18.160 -7.591 3.575 1470 HD13 LEU 88 HD13 LEU 88 19.541 -8.685 3.323 1471 HD21 LEU 88 HD21 LEU 88 17.832 -11.208 2.788 1472 HD22 LEU 88 HD22 LEU 88 19.260 -11.175 3.841 1473 HD23 LEU 88 HD23 LEU 88 17.697 -11.750 4.472 1474 H GLU 89 H GLU 89 19.903 -11.005 5.918 1475 HA GLU 89 HA GLU 89 20.774 -12.627 8.080 1476 HB2 GLU 89 HB1 GLU 89 19.006 -14.065 6.631 1477 HB3 GLU 89 HB2 GLU 89 20.476 -14.381 5.678 1478 HG2 GLU 89 HG1 GLU 89 21.574 -14.914 7.985 1479 HG3 GLU 89 HG2 GLU 89 19.903 -15.049 8.573 1480 H ASP 90 H ASP 90 21.199 -11.343 4.870 1481 HA ASP 90 HA ASP 90 22.964 -10.609 3.694 1482 HB2 ASP 90 HB1 ASP 90 23.872 -10.105 6.030 1483 HB3 ASP 90 HB2 ASP 90 24.859 -11.572 5.841 1484 H ASN 91 H ASN 91 23.158 -13.841 4.977 1485 HA ASN 91 HA ASN 91 24.955 -14.942 3.003 1486 HB2 ASN 91 HB1 ASN 91 24.735 -15.660 5.370 1487 HB3 ASN 91 HB2 ASN 91 23.071 -16.189 5.045 1488 HD21 ASN 91 HD21 ASN 91 26.349 -16.665 3.607 1489 HD22 ASN 91 HD22 ASN 91 26.175 -18.400 3.402 1490 H LYS 92 H LYS 92 21.759 -13.971 2.585 1491 HA LYS 92 HA LYS 92 21.017 -16.232 0.796 1492 HB2 LYS 92 HB1 LYS 92 19.172 -14.689 2.655 1493 HB3 LYS 92 HB2 LYS 92 18.702 -16.010 1.559 1494 HG2 LYS 92 HG1 LYS 92 20.453 -16.224 4.023 1495 HG3 LYS 92 HG2 LYS 92 18.782 -16.809 3.837 1496 HD2 LYS 92 HD1 LYS 92 19.608 -18.342 2.015 1497 HD3 LYS 92 HD2 LYS 92 21.265 -17.849 2.433 1498 HE2 LYS 92 HE1 LYS 92 19.282 -19.188 4.315 1499 HE3 LYS 92 HE2 LYS 92 20.647 -19.988 3.506 1500 HZ1 LYS 92 HZ1 LYS 92 21.182 -19.367 5.746 1501 HZ2 LYS 92 HZ2 LYS 92 22.122 -18.525 4.684 1502 HZ3 LYS 92 HZ3 LYS 92 20.856 -17.782 5.434 Start of MODEL 27 1 HA MET 1 HA MET 1 11.434 0.802 20.971 2 HB2 MET 1 HB1 MET 1 12.651 2.553 19.376 3 HB3 MET 1 HB2 MET 1 11.313 3.593 19.921 4 HG2 MET 1 HG1 MET 1 13.307 2.170 21.697 5 HG3 MET 1 HG2 MET 1 13.348 3.887 21.257 6 HE1 MET 1 HE1 MET 1 10.838 5.617 23.507 7 HE2 MET 1 HE2 MET 1 12.395 5.728 22.657 8 HE3 MET 1 HE3 MET 1 10.905 5.379 21.747 9 H GLU 2 H GLU 2 9.936 3.576 21.442 10 HA GLU 2 HA GLU 2 7.210 2.974 20.487 11 HB2 GLU 2 HB1 GLU 2 7.324 2.066 22.789 12 HB3 GLU 2 HB2 GLU 2 7.891 3.648 23.374 13 HG2 GLU 2 HG1 GLU 2 5.536 3.384 23.881 14 HG3 GLU 2 HG2 GLU 2 5.746 4.660 22.661 15 H THR 3 H THR 3 7.203 4.664 19.088 16 HA THR 3 HA THR 3 7.097 7.370 20.239 17 HB THR 3 HB THR 3 8.684 8.365 19.072 18 HG1 THR 3 HG1 THR 3 9.117 7.919 16.863 19 HG21 THR 3 HG21 THR 3 10.674 7.081 18.348 20 HG22 THR 3 HG22 THR 3 10.054 6.505 19.906 21 HG23 THR 3 HG23 THR 3 9.719 5.590 18.416 22 HA PRO 4 HA PRO 4 3.335 7.273 18.136 23 HB2 PRO 4 HB1 PRO 4 2.938 9.825 17.109 24 HB3 PRO 4 HB2 PRO 4 2.774 9.365 18.836 25 HG2 PRO 4 HG1 PRO 4 5.159 10.606 17.464 26 HG3 PRO 4 HG2 PRO 4 4.413 11.080 19.025 27 HD2 PRO 4 HD1 PRO 4 6.626 9.507 18.947 28 HD3 PRO 4 HD2 PRO 4 5.316 9.158 20.115 29 H LEU 5 H LEU 5 5.744 8.981 16.020 30 HA LEU 5 HA LEU 5 4.428 8.066 13.612 31 HB2 LEU 5 HB1 LEU 5 5.772 10.183 14.005 32 HB3 LEU 5 HB2 LEU 5 7.225 9.160 13.882 33 HG LEU 5 HG LEU 5 5.178 9.124 11.672 34 HD11 LEU 5 HD11 LEU 5 6.395 11.017 10.611 35 HD12 LEU 5 HD12 LEU 5 5.673 11.513 12.160 36 HD13 LEU 5 HD13 LEU 5 7.417 11.168 12.060 37 HD21 LEU 5 HD21 LEU 5 7.173 8.723 10.251 38 HD22 LEU 5 HD22 LEU 5 8.215 8.878 11.681 39 HD23 LEU 5 HD23 LEU 5 7.067 7.524 11.557 40 H GLU 6 H GLU 6 7.168 6.791 15.562 41 HA GLU 6 HA GLU 6 8.018 4.800 13.759 42 HB2 GLU 6 HB1 GLU 6 9.086 5.442 15.953 43 HB3 GLU 6 HB2 GLU 6 7.826 4.489 16.771 44 HG2 GLU 6 HG1 GLU 6 8.560 2.494 15.434 45 HG3 GLU 6 HG2 GLU 6 9.902 3.469 14.798 46 H LYS 7 H LYS 7 5.083 4.846 15.857 47 HA LYS 7 HA LYS 7 4.418 2.115 15.500 48 HB2 LYS 7 HB1 LYS 7 2.390 4.338 15.710 49 HB3 LYS 7 HB2 LYS 7 2.207 2.629 16.173 50 HG2 LYS 7 HG1 LYS 7 3.633 4.856 17.593 51 HG3 LYS 7 HG2 LYS 7 2.364 3.758 18.190 52 HD2 LYS 7 HD1 LYS 7 5.190 2.855 17.568 53 HD3 LYS 7 HD2 LYS 7 4.674 3.435 19.170 54 HE2 LYS 7 HE1 LYS 7 3.300 1.131 17.752 55 HE3 LYS 7 HE2 LYS 7 4.704 0.901 18.819 56 HZ1 LYS 7 HZ1 LYS 7 2.642 0.642 19.996 57 HZ2 LYS 7 HZ2 LYS 7 3.462 1.951 20.574 58 HZ3 LYS 7 HZ3 LYS 7 2.160 2.166 19.586 59 H ALA 8 H ALA 8 3.888 4.904 13.294 60 HA ALA 8 HA ALA 8 2.163 3.552 11.481 61 HB1 ALA 8 HB1 ALA 8 2.839 5.284 9.864 62 HB2 ALA 8 HB2 ALA 8 2.487 5.987 11.459 63 HB3 ALA 8 HB3 ALA 8 4.174 5.765 10.938 64 H LEU 9 H LEU 9 5.762 3.960 11.361 65 HA LEU 9 HA LEU 9 6.199 2.264 9.141 66 HB2 LEU 9 HB1 LEU 9 7.889 3.188 11.456 67 HB3 LEU 9 HB2 LEU 9 8.518 1.983 10.306 68 HG LEU 9 HG LEU 9 9.233 4.314 9.855 69 HD11 LEU 9 HD11 LEU 9 8.836 4.265 7.414 70 HD12 LEU 9 HD12 LEU 9 9.217 2.650 8.050 71 HD13 LEU 9 HD13 LEU 9 7.533 3.082 7.657 72 HD21 LEU 9 HD21 LEU 9 7.667 5.937 8.849 73 HD22 LEU 9 HD22 LEU 9 6.326 4.808 9.134 74 HD23 LEU 9 HD23 LEU 9 7.201 5.519 10.511 75 H THR 10 H THR 10 6.107 1.505 12.661 76 HA THR 10 HA THR 10 6.691 -1.230 12.565 77 HB THR 10 HB THR 10 4.738 0.186 14.409 78 HG1 THR 10 HG1 THR 10 6.637 0.338 15.697 79 HG21 THR 10 HG21 THR 10 5.349 -1.606 16.013 80 HG22 THR 10 HG22 THR 10 4.599 -2.285 14.550 81 HG23 THR 10 HG23 THR 10 6.363 -2.370 14.767 82 H THR 11 H THR 11 3.405 0.304 12.288 83 HA THR 11 HA THR 11 2.006 -2.093 11.724 84 HB THR 11 HB THR 11 1.483 0.777 10.911 85 HG1 THR 11 HG1 THR 11 -0.031 0.508 12.629 86 HG21 THR 11 HG21 THR 11 -0.871 0.095 10.501 87 HG22 THR 11 HG22 THR 11 0.237 -0.714 9.372 88 HG23 THR 11 HG23 THR 11 -0.419 -1.601 10.771 89 H MET 12 H MET 12 3.635 0.191 9.417 90 HA MET 12 HA MET 12 2.891 -1.192 7.068 91 HB2 MET 12 HB1 MET 12 5.342 0.494 7.644 92 HB3 MET 12 HB2 MET 12 4.924 -0.132 6.032 93 HG2 MET 12 HG1 MET 12 2.835 1.131 6.056 94 HG3 MET 12 HG2 MET 12 3.173 1.704 7.696 95 HE1 MET 12 HE1 MET 12 3.569 4.563 4.715 96 HE2 MET 12 HE2 MET 12 2.773 2.995 4.441 97 HE3 MET 12 HE3 MET 12 2.409 3.935 5.909 98 H VAL 13 H VAL 13 5.833 -1.677 9.135 99 HA VAL 13 HA VAL 13 6.913 -3.600 7.268 100 HB VAL 13 HB VAL 13 8.659 -4.032 8.878 101 HG11 VAL 13 HG11 VAL 13 9.643 -1.761 8.923 102 HG12 VAL 13 HG12 VAL 13 8.829 -2.091 7.379 103 HG13 VAL 13 HG13 VAL 13 8.039 -1.065 8.602 104 HG21 VAL 13 HG21 VAL 13 8.853 -2.848 11.029 105 HG22 VAL 13 HG22 VAL 13 7.227 -2.176 10.795 106 HG23 VAL 13 HG23 VAL 13 7.449 -3.931 10.994 107 H THR 14 H THR 14 4.969 -3.856 10.233 108 HA THR 14 HA THR 14 5.181 -6.690 10.554 109 HB THR 14 HB THR 14 2.884 -4.882 11.381 110 HG1 THR 14 HG1 THR 14 4.116 -4.782 13.326 111 HG21 THR 14 HG21 THR 14 2.591 -6.535 13.211 112 HG22 THR 14 HG22 THR 14 2.401 -7.302 11.618 113 HG23 THR 14 HG23 THR 14 3.914 -7.510 12.533 114 H THR 15 H THR 15 2.848 -4.634 8.772 115 HA THR 15 HA THR 15 1.282 -6.854 7.818 116 HB THR 15 HB THR 15 0.364 -5.114 6.199 117 HG1 THR 15 HG1 THR 15 0.894 -2.972 6.810 118 HG21 THR 15 HG21 THR 15 -0.903 -3.950 7.982 119 HG22 THR 15 HG22 THR 15 -0.746 -5.687 8.332 120 HG23 THR 15 HG23 THR 15 0.284 -4.509 9.183 121 H PHE 16 H PHE 16 4.127 -5.140 6.483 122 HA PHE 16 HA PHE 16 3.893 -6.268 3.850 123 HB2 PHE 16 HB1 PHE 16 5.198 -4.248 4.474 124 HB3 PHE 16 HB2 PHE 16 6.334 -5.280 5.361 125 HD1 PHE 16 HD1 PHE 16 7.889 -6.791 4.139 126 HD2 PHE 16 HD2 PHE 16 5.232 -4.119 2.054 127 HE1 PHE 16 HE1 PHE 16 9.271 -7.008 2.085 128 HE2 PHE 16 HE2 PHE 16 6.699 -4.218 0.052 129 HZ PHE 16 HZ PHE 16 8.716 -5.668 0.066 130 H HIS 17 H HIS 17 5.724 -7.356 6.794 131 HA HIS 17 HA HIS 17 6.824 -9.637 5.430 132 HB2 HIS 17 HB1 HIS 17 7.698 -8.441 7.506 133 HB3 HIS 17 HB2 HIS 17 6.492 -9.371 8.412 134 HD1 HIS 17 HD1 HIS 17 7.109 -11.915 8.897 135 HD2 HIS 17 HD2 HIS 17 9.677 -9.927 6.235 136 HE1 HIS 17 HE1 HIS 17 9.156 -13.411 8.608 137 HE2 HIS 17 HE2 HIS 17 10.762 -12.205 7.007 138 H LYS 18 H LYS 18 3.666 -9.102 6.820 139 HA LYS 18 HA LYS 18 2.763 -11.777 7.118 140 HB2 LYS 18 HB1 LYS 18 1.783 -9.355 7.568 141 HB3 LYS 18 HB2 LYS 18 1.056 -9.603 5.961 142 HG2 LYS 18 HG1 LYS 18 0.646 -11.522 8.251 143 HG3 LYS 18 HG2 LYS 18 -0.383 -10.094 7.989 144 HD2 LYS 18 HD1 LYS 18 -0.705 -11.084 5.591 145 HD3 LYS 18 HD2 LYS 18 -0.138 -12.600 6.334 146 HE2 LYS 18 HE1 LYS 18 -2.535 -12.610 6.442 147 HE3 LYS 18 HE2 LYS 18 -1.935 -12.310 8.086 148 HZ1 LYS 18 HZ1 LYS 18 -3.757 -10.868 7.528 149 HZ2 LYS 18 HZ2 LYS 18 -2.386 -9.984 7.757 150 HZ3 LYS 18 HZ3 LYS 18 -2.942 -10.263 6.231 151 H TYR 19 H TYR 19 3.721 -10.066 4.255 152 HA TYR 19 HA TYR 19 2.598 -12.186 2.518 153 HB2 TYR 19 HB1 TYR 19 2.748 -9.205 2.027 154 HB3 TYR 19 HB2 TYR 19 2.369 -10.394 0.768 155 HD1 TYR 19 HD2 TYR 19 0.304 -11.870 1.046 156 HD2 TYR 19 HD1 TYR 19 1.155 -8.552 3.641 157 HE1 TYR 19 HE2 TYR 19 -2.039 -11.929 1.866 158 HE2 TYR 19 HE1 TYR 19 -1.202 -8.547 4.417 159 HH TYR 19 HH TYR 19 -3.571 -11.021 3.266 160 H SER 20 H SER 20 5.480 -10.071 3.024 161 HA SER 20 HA SER 20 6.925 -11.505 0.926 162 HB2 SER 20 HB1 SER 20 8.866 -10.307 1.616 163 HB3 SER 20 HB2 SER 20 7.499 -9.167 1.681 164 HG SER 20 HG SER 20 8.882 -9.004 3.509 165 H GLY 21 H GLY 21 6.293 -12.065 4.351 166 HA2 GLY 21 HA2 GLY 21 8.454 -13.592 4.207 167 H ARG 22 H ARG 22 7.225 -14.746 2.999 168 HA ARG 22 HA ARG 22 6.532 -17.232 4.386 169 HB2 ARG 22 HB1 ARG 22 6.324 -16.288 1.517 170 HB3 ARG 22 HB2 ARG 22 6.005 -17.973 1.995 171 HG2 ARG 22 HG1 ARG 22 3.894 -16.946 1.862 172 HG3 ARG 22 HG2 ARG 22 4.264 -17.051 3.599 173 HD2 ARG 22 HD1 ARG 22 4.767 -14.707 3.712 174 HD3 ARG 22 HD2 ARG 22 4.706 -14.547 1.945 175 HE ARG 22 HE ARG 22 2.463 -14.612 3.810 176 HH11 ARG 22 HH12 ARG 22 3.320 -15.103 0.413 177 HH12 ARG 22 HH11 ARG 22 1.713 -14.735 -0.148 178 HH21 ARG 22 HH22 ARG 22 0.426 -14.079 2.973 179 HH22 ARG 22 HH21 ARG 22 0.126 -14.173 1.258 180 H GLU 23 H GLU 23 9.173 -15.959 2.341 181 HA GLU 23 HA GLU 23 10.724 -18.420 2.712 182 HB2 GLU 23 HB1 GLU 23 9.938 -17.434 -0.052 183 HB3 GLU 23 HB2 GLU 23 11.153 -18.690 0.287 184 HG2 GLU 23 HG1 GLU 23 9.344 -20.103 1.266 185 HG3 GLU 23 HG2 GLU 23 8.163 -18.869 0.774 186 H GLY 24 H GLY 24 12.519 -17.573 0.416 187 HA2 GLY 24 HA2 GLY 24 13.210 -15.280 1.549 188 H SER 25 H SER 25 14.863 -13.838 -0.489 189 HA SER 25 HA SER 25 14.400 -11.751 -1.194 190 HB2 SER 25 HB1 SER 25 11.893 -13.080 -2.218 191 HB3 SER 25 HB2 SER 25 12.270 -11.366 -2.517 192 HG SER 25 HG SER 25 12.996 -12.744 -4.209 193 H LYS 26 H LYS 26 13.833 -12.205 1.653 194 HA LYS 26 HA LYS 26 11.168 -11.575 2.335 195 HB2 LYS 26 HB1 LYS 26 12.079 -11.280 4.642 196 HB3 LYS 26 HB2 LYS 26 12.579 -12.785 3.835 197 HG2 LYS 26 HG1 LYS 26 14.775 -11.832 3.342 198 HG3 LYS 26 HG2 LYS 26 14.283 -10.272 4.044 199 HD2 LYS 26 HD1 LYS 26 14.303 -12.843 5.653 200 HD3 LYS 26 HD2 LYS 26 15.736 -11.797 5.505 201 HE2 LYS 26 HE1 LYS 26 14.165 -9.882 6.280 202 HE3 LYS 26 HE2 LYS 26 13.063 -11.179 6.792 203 HZ1 LYS 26 HZ1 LYS 26 14.494 -10.471 8.576 204 HZ2 LYS 26 HZ2 LYS 26 14.820 -12.036 8.175 205 HZ3 LYS 26 HZ3 LYS 26 15.843 -10.832 7.700 206 H LEU 27 H LEU 27 13.609 -9.323 1.392 207 HA LEU 27 HA LEU 27 12.403 -6.984 2.602 208 HB2 LEU 27 HB1 LEU 27 14.158 -5.774 1.625 209 HB3 LEU 27 HB2 LEU 27 14.849 -7.333 2.136 210 HG LEU 27 HG LEU 27 14.118 -6.611 -0.717 211 HD11 LEU 27 HD11 LEU 27 16.562 -6.353 -1.060 212 HD12 LEU 27 HD12 LEU 27 15.955 -5.206 0.157 213 HD13 LEU 27 HD13 LEU 27 16.833 -6.667 0.669 214 HD21 LEU 27 HD21 LEU 27 15.485 -8.574 -1.357 215 HD22 LEU 27 HD22 LEU 27 15.756 -8.938 0.359 216 HD23 LEU 27 HD23 LEU 27 14.117 -9.045 -0.328 217 H THR 28 H THR 28 11.630 -8.790 -0.177 218 HA THR 28 HA THR 28 10.035 -6.589 -1.378 219 HB THR 28 HB THR 28 10.483 -7.906 -3.568 220 HG1 THR 28 HG1 THR 28 12.545 -8.900 -3.573 221 HG21 THR 28 HG21 THR 28 12.546 -6.625 -4.053 222 HG22 THR 28 HG22 THR 28 11.360 -5.636 -3.178 223 HG23 THR 28 HG23 THR 28 12.756 -6.325 -2.315 224 H LEU 29 H LEU 29 8.335 -7.637 -2.935 225 HA LEU 29 HA LEU 29 7.626 -10.408 -2.495 226 HB2 LEU 29 HB1 LEU 29 5.547 -10.237 -1.510 227 HB3 LEU 29 HB2 LEU 29 6.556 -9.114 -0.565 228 HG LEU 29 HG LEU 29 4.550 -8.331 -2.708 229 HD11 LEU 29 HD11 LEU 29 3.213 -7.506 -0.792 230 HD12 LEU 29 HD12 LEU 29 3.520 -9.253 -0.659 231 HD13 LEU 29 HD13 LEU 29 4.455 -8.107 0.332 232 HD21 LEU 29 HD21 LEU 29 4.862 -6.013 -1.914 233 HD22 LEU 29 HD22 LEU 29 6.125 -6.571 -0.796 234 HD23 LEU 29 HD23 LEU 29 6.375 -6.691 -2.554 235 H SER 30 H SER 30 5.630 -11.026 -3.937 236 HA SER 30 HA SER 30 6.201 -9.820 -6.489 237 HB2 SER 30 HB1 SER 30 4.754 -11.402 -7.499 238 HB3 SER 30 HB2 SER 30 5.679 -12.229 -6.224 239 HG SER 30 HG SER 30 3.451 -12.800 -6.220 240 H ARG 31 H ARG 31 4.892 -8.753 -7.940 241 HA ARG 31 HA ARG 31 3.426 -6.558 -7.031 242 HB2 ARG 31 HB1 ARG 31 4.690 -6.758 -9.101 243 HB3 ARG 31 HB2 ARG 31 3.530 -7.964 -9.713 244 HG2 ARG 31 HG1 ARG 31 1.817 -6.319 -9.948 245 HG3 ARG 31 HG2 ARG 31 2.772 -5.103 -9.064 246 HD2 ARG 31 HD1 ARG 31 4.561 -5.605 -10.973 247 HD3 ARG 31 HD2 ARG 31 3.130 -6.159 -11.870 248 HE ARG 31 HE ARG 31 2.223 -3.928 -11.755 249 HH11 ARG 31 HH12 ARG 31 5.703 -4.118 -11.259 250 HH12 ARG 31 HH11 ARG 31 5.899 -2.384 -11.246 251 HH21 ARG 31 HH22 ARG 31 2.494 -1.710 -11.481 252 HH22 ARG 31 HH21 ARG 31 4.106 -1.042 -11.369 253 H LYS 32 H LYS 32 2.163 -9.805 -7.927 254 HA LYS 32 HA LYS 32 -0.581 -8.987 -7.479 255 HB2 LYS 32 HB1 LYS 32 -0.042 -10.777 -9.006 256 HB3 LYS 32 HB2 LYS 32 0.728 -11.709 -7.698 257 HG2 LYS 32 HG1 LYS 32 -2.137 -10.909 -7.345 258 HG3 LYS 32 HG2 LYS 32 -1.771 -12.195 -8.520 259 HD2 LYS 32 HD1 LYS 32 -1.278 -13.703 -6.899 260 HD3 LYS 32 HD2 LYS 32 -0.402 -12.506 -5.917 261 HE2 LYS 32 HE1 LYS 32 -2.634 -11.560 -5.214 262 HE3 LYS 32 HE2 LYS 32 -3.415 -12.913 -6.059 263 HZ1 LYS 32 HZ1 LYS 32 -3.182 -13.343 -3.719 264 HZ2 LYS 32 HZ2 LYS 32 -2.273 -14.410 -4.586 265 HZ3 LYS 32 HZ3 LYS 32 -1.547 -13.155 -3.802 266 H GLU 33 H GLU 33 1.935 -10.342 -5.269 267 HA GLU 33 HA GLU 33 -0.102 -10.838 -3.252 268 HB2 GLU 33 HB1 GLU 33 2.129 -12.080 -3.558 269 HB3 GLU 33 HB2 GLU 33 2.847 -10.715 -2.670 270 HG2 GLU 33 HG1 GLU 33 2.351 -12.353 -1.031 271 HG3 GLU 33 HG2 GLU 33 1.087 -11.114 -0.879 272 H LEU 34 H LEU 34 2.160 -8.130 -3.905 273 HA LEU 34 HA LEU 34 1.487 -6.408 -1.797 274 HB2 LEU 34 HB1 LEU 34 3.164 -5.908 -3.445 275 HB3 LEU 34 HB2 LEU 34 1.967 -5.966 -4.760 276 HG LEU 34 HG LEU 34 0.908 -3.922 -3.885 277 HD11 LEU 34 HD11 LEU 34 2.027 -2.545 -2.159 278 HD12 LEU 34 HD12 LEU 34 1.494 -4.107 -1.498 279 HD13 LEU 34 HD13 LEU 34 3.210 -3.846 -1.898 280 HD21 LEU 34 HD21 LEU 34 2.739 -2.385 -4.542 281 HD22 LEU 34 HD22 LEU 34 3.920 -3.695 -4.316 282 HD23 LEU 34 HD23 LEU 34 2.690 -3.816 -5.598 283 H LYS 35 H LYS 35 -0.441 -7.113 -4.787 284 HA LYS 35 HA LYS 35 -2.571 -5.335 -4.114 285 HB2 LYS 35 HB1 LYS 35 -2.347 -6.159 -6.356 286 HB3 LYS 35 HB2 LYS 35 -2.448 -7.850 -5.808 287 HG2 LYS 35 HG1 LYS 35 -4.768 -7.520 -5.107 288 HG3 LYS 35 HG2 LYS 35 -4.679 -5.796 -5.541 289 HD2 LYS 35 HD1 LYS 35 -4.176 -7.997 -7.565 290 HD3 LYS 35 HD2 LYS 35 -5.807 -7.368 -7.232 291 HE2 LYS 35 HE1 LYS 35 -4.933 -5.054 -7.725 292 HE3 LYS 35 HE2 LYS 35 -3.399 -5.795 -8.228 293 HZ1 LYS 35 HZ1 LYS 35 -4.828 -5.362 -10.087 294 HZ2 LYS 35 HZ2 LYS 35 -4.600 -6.985 -9.912 295 HZ3 LYS 35 HZ3 LYS 35 -6.025 -6.297 -9.445 296 H GLU 36 H GLU 36 -1.996 -8.772 -3.255 297 HA GLU 36 HA GLU 36 -4.469 -9.275 -1.959 298 HB2 GLU 36 HB1 GLU 36 -2.502 -10.830 -2.721 299 HB3 GLU 36 HB2 GLU 36 -1.842 -10.493 -1.103 300 HG2 GLU 36 HG1 GLU 36 -3.057 -12.517 -0.888 301 HG3 GLU 36 HG2 GLU 36 -4.098 -11.261 -0.181 302 H LEU 37 H LEU 37 -1.334 -8.143 -0.690 303 HA LEU 37 HA LEU 37 -1.924 -7.741 2.003 304 HB2 LEU 37 HB1 LEU 37 0.274 -7.653 1.266 305 HB3 LEU 37 HB2 LEU 37 -0.106 -6.509 -0.043 306 HG LEU 37 HG LEU 37 -0.106 -4.672 1.428 307 HD11 LEU 37 HD11 LEU 37 0.345 -4.748 3.847 308 HD12 LEU 37 HD12 LEU 37 -1.176 -5.563 3.433 309 HD13 LEU 37 HD13 LEU 37 0.281 -6.520 3.792 310 HD21 LEU 37 HD21 LEU 37 2.237 -4.775 2.238 311 HD22 LEU 37 HD22 LEU 37 2.201 -6.550 2.109 312 HD23 LEU 37 HD23 LEU 37 2.070 -5.548 0.644 313 H ILE 38 H ILE 38 -2.313 -5.339 -0.670 314 HA ILE 38 HA ILE 38 -3.537 -3.421 1.082 315 HB ILE 38 HB ILE 38 -3.345 -3.606 -1.932 316 HG12 ILE 38 HG13 ILE 38 -1.921 -1.851 0.115 317 HG13 ILE 38 HG12 ILE 38 -1.249 -3.352 -0.565 318 HG21 ILE 38 HG21 ILE 38 -4.030 -1.222 -1.983 319 HG22 ILE 38 HG22 ILE 38 -5.329 -2.251 -1.334 320 HG23 ILE 38 HG23 ILE 38 -4.331 -1.273 -0.231 321 HD11 ILE 38 HD11 ILE 38 -0.312 -1.361 -1.700 322 HD12 ILE 38 HD12 ILE 38 -1.281 -2.347 -2.816 323 HD13 ILE 38 HD13 ILE 38 -1.955 -0.846 -2.137 324 H LYS 39 H LYS 39 -5.013 -6.001 -0.978 325 HA LYS 39 HA LYS 39 -7.660 -5.017 -0.367 326 HB2 LYS 39 HB1 LYS 39 -6.485 -7.115 -2.023 327 HB3 LYS 39 HB2 LYS 39 -7.981 -7.643 -1.218 328 HG2 LYS 39 HG1 LYS 39 -7.744 -5.024 -2.740 329 HG3 LYS 39 HG2 LYS 39 -8.283 -6.543 -3.494 330 HD2 LYS 39 HD1 LYS 39 -10.206 -6.664 -1.984 331 HD3 LYS 39 HD2 LYS 39 -9.633 -5.239 -1.085 332 HE2 LYS 39 HE1 LYS 39 -9.881 -3.839 -3.077 333 HE3 LYS 39 HE2 LYS 39 -10.343 -5.254 -4.048 334 HZ1 LYS 39 HZ1 LYS 39 -12.248 -3.990 -3.357 335 HZ2 LYS 39 HZ2 LYS 39 -12.282 -5.486 -2.668 336 HZ3 LYS 39 HZ3 LYS 39 -11.852 -4.174 -1.768 337 H LYS 40 H LYS 40 -5.525 -6.987 1.549 338 HA LYS 40 HA LYS 40 -7.839 -7.914 3.164 339 HB2 LYS 40 HB1 LYS 40 -5.047 -8.881 2.702 340 HB3 LYS 40 HB2 LYS 40 -5.774 -9.178 4.300 341 HG2 LYS 40 HG1 LYS 40 -6.047 -11.102 2.875 342 HG3 LYS 40 HG2 LYS 40 -7.626 -10.366 3.244 343 HD2 LYS 40 HD1 LYS 40 -7.807 -9.476 1.009 344 HD3 LYS 40 HD2 LYS 40 -6.137 -9.959 0.624 345 HE2 LYS 40 HE1 LYS 40 -6.713 -12.324 0.988 346 HE3 LYS 40 HE2 LYS 40 -8.368 -11.869 1.447 347 HZ1 LYS 40 HZ1 LYS 40 -8.248 -12.613 -0.816 348 HZ2 LYS 40 HZ2 LYS 40 -8.681 -11.024 -0.763 349 HZ3 LYS 40 HZ3 LYS 40 -7.146 -11.446 -1.190 350 H GLU 41 H GLU 41 -4.671 -6.145 3.562 351 HA GLU 41 HA GLU 41 -5.367 -5.712 6.382 352 HB2 GLU 41 HB1 GLU 41 -3.006 -4.439 5.045 353 HB3 GLU 41 HB2 GLU 41 -3.232 -4.911 6.747 354 HG2 GLU 41 HG1 GLU 41 -2.646 -6.711 4.402 355 HG3 GLU 41 HG2 GLU 41 -1.552 -6.268 5.731 356 H LEU 42 H LEU 42 -5.662 -3.936 3.376 357 HA LEU 42 HA LEU 42 -6.934 -1.669 4.832 358 HB2 LEU 42 HB1 LEU 42 -5.133 -1.855 2.651 359 HB3 LEU 42 HB2 LEU 42 -6.713 -1.463 1.932 360 HG LEU 42 HG LEU 42 -5.400 0.500 2.261 361 HD11 LEU 42 HD11 LEU 42 -6.956 1.926 3.531 362 HD12 LEU 42 HD12 LEU 42 -7.810 0.772 2.490 363 HD13 LEU 42 HD13 LEU 42 -7.689 0.475 4.242 364 HD21 LEU 42 HD21 LEU 42 -4.729 1.339 4.474 365 HD22 LEU 42 HD22 LEU 42 -5.368 -0.140 5.217 366 HD23 LEU 42 HD23 LEU 42 -3.983 -0.230 4.103 367 H CYS 43 H CYS 43 -8.833 -0.825 3.423 368 HA CYS 43 HA CYS 43 -10.225 -2.643 1.624 369 HB2 CYS 43 HB1 CYS 43 -11.235 -3.530 3.522 370 HB3 CYS 43 HB2 CYS 43 -11.246 -1.967 4.374 371 HG CYS 43 HG CYS 43 -13.700 -2.722 3.872 372 H LEU 44 H LEU 44 -11.417 -1.422 0.105 373 HA LEU 44 HA LEU 44 -11.636 1.342 0.003 374 HB2 LEU 44 HB1 LEU 44 -9.512 1.882 -1.340 375 HB3 LEU 44 HB2 LEU 44 -9.462 1.855 0.439 376 HG LEU 44 HG LEU 44 -8.325 -0.262 0.419 377 HD11 LEU 44 HD11 LEU 44 -7.494 -1.314 -1.663 378 HD12 LEU 44 HD12 LEU 44 -9.268 -1.280 -1.615 379 HD13 LEU 44 HD13 LEU 44 -8.382 -0.108 -2.617 380 HD21 LEU 44 HD21 LEU 44 -6.181 0.495 -0.577 381 HD22 LEU 44 HD22 LEU 44 -7.054 1.737 -1.502 382 HD23 LEU 44 HD23 LEU 44 -7.001 1.820 0.275 383 H GLY 45 H GLY 45 -11.225 -1.665 -1.797 384 HA2 GLY 45 HA2 GLY 45 -12.459 -0.120 -3.586 385 H GLU 46 H GLU 46 -13.716 0.151 -2.000 386 HA GLU 46 HA GLU 46 -16.392 -0.492 -2.656 387 HB2 GLU 46 HB1 GLU 46 -16.883 -1.935 -0.673 388 HB3 GLU 46 HB2 GLU 46 -15.930 -2.720 -1.956 389 HG2 GLU 46 HG1 GLU 46 -14.412 -1.452 0.277 390 HG3 GLU 46 HG2 GLU 46 -15.338 -2.919 0.662 391 H MET 47 H MET 47 -14.510 1.691 -1.816 392 HA MET 47 HA MET 47 -16.316 3.391 -0.573 393 HB2 MET 47 HB1 MET 47 -15.195 3.924 1.575 394 HB3 MET 47 HB2 MET 47 -16.062 2.369 1.538 395 HG2 MET 47 HG1 MET 47 -14.241 1.304 2.212 396 HG3 MET 47 HG2 MET 47 -13.344 1.894 0.801 397 HE1 MET 47 HE1 MET 47 -10.760 4.141 2.117 398 HE2 MET 47 HE2 MET 47 -11.066 2.597 1.286 399 HE3 MET 47 HE3 MET 47 -11.897 4.077 0.750 400 H LYS 48 H LYS 48 -15.510 5.563 -0.415 401 HA LYS 48 HA LYS 48 -14.711 7.269 -1.574 402 HB2 LYS 48 HB1 LYS 48 -12.152 5.860 -0.875 403 HB3 LYS 48 HB2 LYS 48 -12.249 7.530 -1.482 404 HG2 LYS 48 HG1 LYS 48 -13.695 6.635 1.025 405 HG3 LYS 48 HG2 LYS 48 -12.008 7.202 1.049 406 HD2 LYS 48 HD1 LYS 48 -14.297 8.856 -0.088 407 HD3 LYS 48 HD2 LYS 48 -13.768 8.959 1.609 408 HE2 LYS 48 HE1 LYS 48 -11.758 9.957 1.073 409 HE3 LYS 48 HE2 LYS 48 -11.665 9.166 -0.516 410 HZ1 LYS 48 HZ1 LYS 48 -12.033 11.513 -0.712 411 HZ2 LYS 48 HZ2 LYS 48 -13.331 10.682 -1.298 412 HZ3 LYS 48 HZ3 LYS 48 -13.417 11.416 0.177 413 H GLU 49 H GLU 49 -12.438 7.527 -3.371 414 HA GLU 49 HA GLU 49 -14.276 7.118 -5.608 415 HB2 GLU 49 HB1 GLU 49 -11.852 8.910 -5.269 416 HB3 GLU 49 HB2 GLU 49 -12.907 8.882 -6.701 417 HG2 GLU 49 HG1 GLU 49 -13.701 10.713 -5.470 418 HG3 GLU 49 HG2 GLU 49 -14.830 9.408 -5.047 419 H SER 50 H SER 50 -13.205 7.015 -7.870 420 HA SER 50 HA SER 50 -12.144 4.370 -8.065 421 HB2 SER 50 HB1 SER 50 -12.282 4.831 -10.520 422 HB3 SER 50 HB2 SER 50 -13.781 5.199 -9.634 423 HG SER 50 HG SER 50 -13.178 6.872 -11.097 424 H SER 51 H SER 51 -10.264 7.027 -7.336 425 HA SER 51 HA SER 51 -7.903 6.458 -8.819 426 HB2 SER 51 HB1 SER 51 -6.893 7.266 -6.459 427 HB3 SER 51 HB2 SER 51 -7.618 8.380 -7.642 428 HG SER 51 HG SER 51 -8.421 8.701 -5.511 429 H ILE 52 H ILE 52 -9.545 4.539 -6.441 430 HA ILE 52 HA ILE 52 -7.401 2.730 -5.880 431 HB ILE 52 HB ILE 52 -9.121 1.172 -5.161 432 HG12 ILE 52 HG13 ILE 52 -11.539 2.155 -5.026 433 HG13 ILE 52 HG12 ILE 52 -11.055 3.039 -6.493 434 HG21 ILE 52 HG21 ILE 52 -10.006 2.580 -3.332 435 HG22 ILE 52 HG22 ILE 52 -8.306 2.962 -3.689 436 HG23 ILE 52 HG23 ILE 52 -9.601 4.039 -4.265 437 HD11 ILE 52 HD11 ILE 52 -12.244 0.941 -7.069 438 HD12 ILE 52 HD12 ILE 52 -10.554 0.901 -7.620 439 HD13 ILE 52 HD13 ILE 52 -11.036 0.015 -6.152 440 H ASP 53 H ASP 53 -9.154 3.194 -8.853 441 HA ASP 53 HA ASP 53 -8.792 0.448 -9.768 442 HB2 ASP 53 HB1 ASP 53 -10.643 1.651 -10.711 443 HB3 ASP 53 HB2 ASP 53 -9.605 3.019 -11.172 444 H ASP 54 H ASP 54 -7.263 3.639 -10.605 445 HA ASP 54 HA ASP 54 -5.862 2.467 -12.766 446 HB2 ASP 54 HB1 ASP 54 -6.529 4.947 -12.347 447 HB3 ASP 54 HB2 ASP 54 -4.936 5.057 -11.569 448 H LEU 55 H LEU 55 -4.923 2.696 -9.391 449 HA LEU 55 HA LEU 55 -2.181 1.893 -9.964 450 HB2 LEU 55 HB1 LEU 55 -3.679 1.831 -7.344 451 HB3 LEU 55 HB2 LEU 55 -1.917 1.765 -7.586 452 HG LEU 55 HG LEU 55 -3.765 4.132 -7.974 453 HD11 LEU 55 HD11 LEU 55 -2.304 5.107 -6.218 454 HD12 LEU 55 HD12 LEU 55 -3.051 3.590 -5.663 455 HD13 LEU 55 HD13 LEU 55 -1.348 3.606 -6.181 456 HD21 LEU 55 HD21 LEU 55 -1.773 5.452 -8.632 457 HD22 LEU 55 HD22 LEU 55 -0.791 3.970 -8.616 458 HD23 LEU 55 HD23 LEU 55 -2.105 4.158 -9.804 459 H MET 56 H MET 56 -5.139 0.160 -8.807 460 HA MET 56 HA MET 56 -3.940 -2.380 -8.383 461 HB2 MET 56 HB1 MET 56 -6.762 -1.448 -9.010 462 HB3 MET 56 HB2 MET 56 -6.370 -3.155 -8.688 463 HG2 MET 56 HG1 MET 56 -5.800 -0.865 -6.788 464 HG3 MET 56 HG2 MET 56 -7.237 -1.900 -6.710 465 HE1 MET 56 HE1 MET 56 -3.622 -2.397 -4.351 466 HE2 MET 56 HE2 MET 56 -3.638 -1.305 -5.759 467 HE3 MET 56 HE3 MET 56 -4.897 -1.162 -4.509 468 H LYS 57 H LYS 57 -5.647 -1.091 -11.231 469 HA LYS 57 HA LYS 57 -5.090 -3.247 -13.033 470 HB2 LYS 57 HB1 LYS 57 -6.086 -1.781 -14.653 471 HB3 LYS 57 HB2 LYS 57 -6.987 -1.661 -13.123 472 HG2 LYS 57 HG1 LYS 57 -6.752 0.569 -13.375 473 HG3 LYS 57 HG2 LYS 57 -5.078 0.308 -12.832 474 HD2 LYS 57 HD1 LYS 57 -4.695 1.460 -14.803 475 HD3 LYS 57 HD2 LYS 57 -4.691 -0.210 -15.414 476 HE2 LYS 57 HE1 LYS 57 -6.137 1.072 -16.861 477 HE3 LYS 57 HE2 LYS 57 -7.176 0.041 -15.853 478 HZ1 LYS 57 HZ1 LYS 57 -8.004 2.288 -15.975 479 HZ2 LYS 57 HZ2 LYS 57 -7.562 1.934 -14.426 480 HZ3 LYS 57 HZ3 LYS 57 -6.597 2.890 -15.361 481 H SER 58 H SER 58 -2.990 -0.827 -11.795 482 HA SER 58 HA SER 58 -1.022 -1.320 -13.939 483 HB2 SER 58 HB1 SER 58 -1.546 0.971 -12.839 484 HB3 SER 58 HB2 SER 58 -0.543 0.371 -11.496 485 HG SER 58 HG SER 58 0.663 1.562 -13.044 486 H LEU 59 H LEU 59 -1.933 -2.916 -11.050 487 HA LEU 59 HA LEU 59 0.775 -3.989 -10.563 488 HB2 LEU 59 HB1 LEU 59 -1.924 -4.614 -9.327 489 HB3 LEU 59 HB2 LEU 59 -0.395 -5.399 -8.866 490 HG LEU 59 HG LEU 59 -1.019 -2.432 -8.607 491 HD11 LEU 59 HD11 LEU 59 -1.059 -2.892 -6.170 492 HD12 LEU 59 HD12 LEU 59 -2.293 -3.845 -7.025 493 HD13 LEU 59 HD13 LEU 59 -0.781 -4.619 -6.495 494 HD21 LEU 59 HD21 LEU 59 1.072 -2.290 -7.278 495 HD22 LEU 59 HD22 LEU 59 1.389 -4.007 -7.603 496 HD23 LEU 59 HD23 LEU 59 1.398 -2.830 -8.939 497 H ASP 60 H ASP 60 -2.388 -5.072 -11.723 498 HA ASP 60 HA ASP 60 -1.678 -7.566 -12.827 499 HB2 ASP 60 HB1 ASP 60 -3.840 -5.512 -13.296 500 HB3 ASP 60 HB2 ASP 60 -3.786 -7.028 -14.220 501 H LYS 61 H LYS 61 -0.561 -4.512 -13.892 502 HA LYS 61 HA LYS 61 -0.006 -4.978 -16.588 503 HB2 LYS 61 HB1 LYS 61 0.478 -2.925 -15.358 504 HB3 LYS 61 HB2 LYS 61 1.682 -3.776 -14.362 505 HG2 LYS 61 HG1 LYS 61 2.764 -2.379 -16.045 506 HG3 LYS 61 HG2 LYS 61 3.100 -4.103 -16.338 507 HD2 LYS 61 HD1 LYS 61 2.664 -3.230 -18.472 508 HD3 LYS 61 HD2 LYS 61 1.139 -4.017 -18.001 509 HE2 LYS 61 HE1 LYS 61 0.523 -1.942 -18.977 510 HE3 LYS 61 HE2 LYS 61 0.348 -1.721 -17.223 511 HZ1 LYS 61 HZ1 LYS 61 1.450 0.140 -18.249 512 HZ2 LYS 61 HZ2 LYS 61 2.479 -0.627 -17.214 513 HZ3 LYS 61 HZ3 LYS 61 2.642 -0.833 -18.842 514 H ASN 62 H ASN 62 1.325 -6.740 -13.779 515 HA ASN 62 HA ASN 62 2.607 -8.569 -15.668 516 HB2 ASN 62 HB1 ASN 62 4.156 -6.873 -13.713 517 HB3 ASN 62 HB2 ASN 62 4.749 -8.486 -14.160 518 HD21 ASN 62 HD21 ASN 62 4.564 -8.828 -16.710 519 HD22 ASN 62 HD22 ASN 62 5.303 -7.540 -17.642 520 H SER 63 H SER 63 1.739 -7.927 -12.259 521 HA SER 63 HA SER 63 1.354 -9.209 -10.484 522 HB2 SER 63 HB1 SER 63 -0.318 -10.473 -11.167 523 HB3 SER 63 HB2 SER 63 0.494 -10.902 -12.692 524 HG SER 63 HG SER 63 0.078 -12.723 -11.360 525 H ASP 64 H ASP 64 3.675 -10.945 -12.567 526 HA ASP 64 HA ASP 64 4.581 -12.614 -10.321 527 HB2 ASP 64 HB1 ASP 64 4.909 -12.731 -13.343 528 HB3 ASP 64 HB2 ASP 64 5.563 -13.939 -12.216 529 H GLN 65 H GLN 65 5.410 -9.956 -10.174 530 HA GLN 65 HA GLN 65 8.275 -9.812 -11.055 531 HB2 GLN 65 HB1 GLN 65 6.224 -8.476 -12.127 532 HB3 GLN 65 HB2 GLN 65 6.327 -7.532 -10.622 533 HG2 GLN 65 HG1 GLN 65 8.506 -6.736 -11.170 534 HG3 GLN 65 HG2 GLN 65 8.661 -7.884 -12.517 535 HE21 GLN 65 HE12 GLN 65 8.268 -6.948 -14.523 536 HE22 GLN 65 HE22 GLN 65 7.127 -5.656 -14.821 537 H GLU 66 H GLU 66 9.703 -9.046 -9.273 538 HA GLU 66 HA GLU 66 8.278 -8.748 -6.739 539 HB2 GLU 66 HB1 GLU 66 11.243 -8.700 -7.303 540 HB3 GLU 66 HB2 GLU 66 10.515 -8.524 -5.689 541 HG2 GLU 66 HG1 GLU 66 9.334 -10.824 -6.384 542 HG3 GLU 66 HG2 GLU 66 10.765 -10.955 -7.426 543 H ILE 67 H ILE 67 8.274 -7.076 -5.373 544 HA ILE 67 HA ILE 67 9.044 -4.345 -6.206 545 HB ILE 67 HB ILE 67 6.249 -5.192 -5.322 546 HG12 ILE 67 HG13 ILE 67 7.338 -4.146 -7.961 547 HG13 ILE 67 HG12 ILE 67 6.594 -5.734 -7.649 548 HG21 ILE 67 HG21 ILE 67 5.643 -2.806 -5.597 549 HG22 ILE 67 HG22 ILE 67 6.900 -3.014 -4.357 550 HG23 ILE 67 HG23 ILE 67 7.337 -2.421 -5.977 551 HD11 ILE 67 HD11 ILE 67 5.042 -4.248 -8.873 552 HD12 ILE 67 HD12 ILE 67 4.425 -4.641 -7.257 553 HD13 ILE 67 HD13 ILE 67 5.167 -3.053 -7.568 554 H ASP 68 H ASP 68 9.226 -2.906 -4.342 555 HA ASP 68 HA ASP 68 10.080 -4.469 -1.973 556 HB2 ASP 68 HB1 ASP 68 12.053 -3.281 -1.947 557 HB3 ASP 68 HB2 ASP 68 11.705 -3.275 -3.689 558 H PHE 69 H PHE 69 10.672 -2.901 -0.103 559 HA PHE 69 HA PHE 69 8.444 -1.844 1.196 560 HB2 PHE 69 HB1 PHE 69 10.684 -2.616 2.041 561 HB3 PHE 69 HB2 PHE 69 11.364 -1.078 1.482 562 HD1 PHE 69 HD2 PHE 69 8.082 -0.643 3.019 563 HD2 PHE 69 HD1 PHE 69 12.278 -1.148 3.829 564 HE1 PHE 69 HE2 PHE 69 7.772 0.376 5.263 565 HE2 PHE 69 HE1 PHE 69 11.962 -0.171 6.089 566 HZ PHE 69 HZ PHE 69 9.713 0.619 6.797 567 H LYS 70 H LYS 70 10.660 -0.060 -1.060 568 HA LYS 70 HA LYS 70 9.776 2.570 -0.212 569 HB2 LYS 70 HB1 LYS 70 11.970 1.958 -1.298 570 HB3 LYS 70 HB2 LYS 70 11.077 1.662 -2.809 571 HG2 LYS 70 HG1 LYS 70 10.514 4.305 -1.732 572 HG3 LYS 70 HG2 LYS 70 12.261 4.054 -1.967 573 HD2 LYS 70 HD1 LYS 70 11.572 5.019 -3.977 574 HD3 LYS 70 HD2 LYS 70 11.624 3.279 -4.350 575 HE2 LYS 70 HE1 LYS 70 9.173 3.152 -4.019 576 HE3 LYS 70 HE2 LYS 70 9.137 4.900 -3.696 577 HZ1 LYS 70 HZ1 LYS 70 8.541 4.400 -5.955 578 HZ2 LYS 70 HZ2 LYS 70 9.946 5.260 -5.914 579 HZ3 LYS 70 HZ3 LYS 70 9.978 3.639 -6.215 580 H GLU 71 H GLU 71 9.203 0.520 -3.055 581 HA GLU 71 HA GLU 71 7.234 2.142 -4.309 582 HB2 GLU 71 HB1 GLU 71 7.808 -0.831 -4.476 583 HB3 GLU 71 HB2 GLU 71 6.814 0.100 -5.622 584 HG2 GLU 71 HG1 GLU 71 9.736 0.684 -5.037 585 HG3 GLU 71 HG2 GLU 71 9.180 -0.351 -6.370 586 H TYR 72 H TYR 72 7.057 -0.380 -1.770 587 HA TYR 72 HA TYR 72 4.202 -0.501 -1.660 588 HB2 TYR 72 HB1 TYR 72 5.472 -2.209 -0.641 589 HB3 TYR 72 HB2 TYR 72 6.407 -1.053 0.321 590 HD1 TYR 72 HD1 TYR 72 2.698 -1.701 -0.105 591 HD2 TYR 72 HD2 TYR 72 6.038 -1.263 2.575 592 HE1 TYR 72 HE1 TYR 72 1.236 -2.302 1.814 593 HE2 TYR 72 HE2 TYR 72 4.595 -1.900 4.493 594 HH TYR 72 HH TYR 72 2.513 -2.647 5.143 595 H SER 73 H SER 73 6.544 1.590 0.144 596 HA SER 73 HA SER 73 4.494 2.858 1.679 597 HB2 SER 73 HB1 SER 73 6.142 4.131 2.653 598 HB3 SER 73 HB2 SER 73 7.036 2.680 2.143 599 HG SER 73 HG SER 73 8.145 4.627 1.644 600 H VAL 74 H VAL 74 6.105 3.862 -1.414 601 HA VAL 74 HA VAL 74 4.576 6.295 -1.480 602 HB VAL 74 HB VAL 74 5.276 6.666 -3.728 603 HG11 VAL 74 HG11 VAL 74 7.711 6.798 -3.357 604 HG12 VAL 74 HG12 VAL 74 6.796 7.249 -1.903 605 HG13 VAL 74 HG13 VAL 74 7.560 5.645 -2.014 606 HG21 VAL 74 HG21 VAL 74 6.774 5.169 -4.980 607 HG22 VAL 74 HG22 VAL 74 6.605 3.949 -3.701 608 HG23 VAL 74 HG23 VAL 74 5.193 4.424 -4.676 609 H PHE 75 H PHE 75 3.871 2.997 -2.680 610 HA PHE 75 HA PHE 75 1.655 3.812 -4.337 611 HB2 PHE 75 HB1 PHE 75 2.944 1.657 -4.420 612 HB3 PHE 75 HB2 PHE 75 2.142 1.181 -2.912 613 HD1 PHE 75 HD1 PHE 75 -0.492 1.115 -2.969 614 HD2 PHE 75 HD2 PHE 75 2.020 1.095 -6.465 615 HE1 PHE 75 HE1 PHE 75 -2.320 0.064 -4.279 616 HE2 PHE 75 HE2 PHE 75 0.210 -0.006 -7.758 617 HZ PHE 75 HZ PHE 75 -1.934 -0.595 -6.646 618 H LEU 76 H LEU 76 1.814 2.620 -0.892 619 HA LEU 76 HA LEU 76 -0.923 3.001 -0.276 620 HB2 LEU 76 HB1 LEU 76 1.598 3.236 1.390 621 HB3 LEU 76 HB2 LEU 76 -0.039 3.344 2.080 622 HG LEU 76 HG LEU 76 1.126 0.922 0.661 623 HD11 LEU 76 HD11 LEU 76 1.203 -0.007 2.959 624 HD12 LEU 76 HD12 LEU 76 2.198 1.464 2.832 625 HD13 LEU 76 HD13 LEU 76 0.598 1.539 3.608 626 HD21 LEU 76 HD21 LEU 76 -0.859 -0.274 1.531 627 HD22 LEU 76 HD22 LEU 76 -1.490 1.253 2.189 628 HD23 LEU 76 HD23 LEU 76 -1.331 1.039 0.429 629 H THR 77 H THR 77 1.838 5.273 -0.031 630 HA THR 77 HA THR 77 0.377 7.481 1.024 631 HB THR 77 HB THR 77 2.987 7.362 -0.527 632 HG1 THR 77 HG1 THR 77 3.756 7.506 1.640 633 HG21 THR 77 HG21 THR 77 3.452 9.552 0.535 634 HG22 THR 77 HG22 THR 77 2.033 9.650 -0.532 635 HG23 THR 77 HG23 THR 77 1.816 9.559 1.233 636 H MET 78 H MET 78 1.164 6.534 -2.329 637 HA MET 78 HA MET 78 0.054 8.810 -3.626 638 HB2 MET 78 HB1 MET 78 1.605 7.350 -4.747 639 HB3 MET 78 HB2 MET 78 0.522 5.954 -4.527 640 HG2 MET 78 HG1 MET 78 -1.012 6.749 -6.121 641 HG3 MET 78 HG2 MET 78 -0.311 8.377 -6.111 642 HE1 MET 78 HE1 MET 78 2.131 4.816 -7.864 643 HE2 MET 78 HE2 MET 78 2.061 5.256 -6.142 644 HE3 MET 78 HE3 MET 78 0.629 4.567 -6.946 645 H LEU 79 H LEU 79 -1.418 5.623 -2.721 646 HA LEU 79 HA LEU 79 -4.002 6.218 -3.759 647 HB2 LEU 79 HB1 LEU 79 -2.970 4.001 -2.869 648 HB3 LEU 79 HB2 LEU 79 -3.566 4.558 -1.287 649 HG LEU 79 HG LEU 79 -5.338 3.322 -1.855 650 HD11 LEU 79 HD11 LEU 79 -7.223 4.504 -2.924 651 HD12 LEU 79 HD12 LEU 79 -6.330 5.554 -1.809 652 HD13 LEU 79 HD13 LEU 79 -6.087 5.704 -3.567 653 HD21 LEU 79 HD21 LEU 79 -6.090 2.714 -4.132 654 HD22 LEU 79 HD22 LEU 79 -4.899 3.838 -4.814 655 HD23 LEU 79 HD23 LEU 79 -4.357 2.406 -3.907 656 H CYS 80 H CYS 80 -2.695 6.699 -0.388 657 HA CYS 80 HA CYS 80 -5.037 7.891 0.649 658 HB2 CYS 80 HB1 CYS 80 -3.025 6.960 1.870 659 HB3 CYS 80 HB2 CYS 80 -2.172 8.474 1.474 660 HG CYS 80 HG CYS 80 -2.993 8.538 3.961 661 H MET 81 H MET 81 -2.235 9.476 -0.926 662 HA MET 81 HA MET 81 -3.151 12.175 -0.794 663 HB2 MET 81 HB1 MET 81 -0.840 11.450 -1.136 664 HB3 MET 81 HB2 MET 81 -1.287 10.701 -2.686 665 HG2 MET 81 HG1 MET 81 -2.058 13.393 -2.908 666 HG3 MET 81 HG2 MET 81 -0.482 13.422 -2.100 667 HE1 MET 81 HE1 MET 81 -1.374 11.592 -6.251 668 HE2 MET 81 HE2 MET 81 -1.991 10.901 -4.730 669 HE3 MET 81 HE3 MET 81 -2.534 12.512 -5.262 670 H ALA 82 H ALA 82 -3.989 9.525 -2.970 671 HA ALA 82 HA ALA 82 -5.250 11.333 -4.886 672 HB1 ALA 82 HB1 ALA 82 -5.582 9.299 -6.241 673 HB2 ALA 82 HB2 ALA 82 -3.895 9.465 -5.703 674 HB3 ALA 82 HB3 ALA 82 -4.979 8.308 -4.894 675 H TYR 83 H TYR 83 -6.431 10.169 -1.959 676 HA TYR 83 HA TYR 83 -9.036 10.967 -2.915 677 HB2 TYR 83 HB1 TYR 83 -10.333 9.097 -2.212 678 HB3 TYR 83 HB2 TYR 83 -9.154 8.665 -3.462 679 HD1 TYR 83 HD2 TYR 83 -7.406 8.571 -0.330 680 HD2 TYR 83 HD1 TYR 83 -10.232 6.440 -2.782 681 HE1 TYR 83 HE2 TYR 83 -6.990 6.500 0.977 682 HE2 TYR 83 HE1 TYR 83 -9.872 4.390 -1.437 683 HH TYR 83 HH TYR 83 -7.521 4.280 1.261 684 H ASN 84 H ASN 84 -6.908 10.922 -0.193 685 HA ASN 84 HA ASN 84 -9.075 11.030 1.763 686 HB2 ASN 84 HB1 ASN 84 -6.957 9.844 2.198 687 HB3 ASN 84 HB2 ASN 84 -6.087 11.391 2.121 688 HD21 ASN 84 HD21 ASN 84 -5.452 10.479 4.351 689 HD22 ASN 84 HD22 ASN 84 -6.467 10.946 5.704 690 H ASP 85 H ASP 85 -10.292 12.804 1.576 691 HA ASP 85 HA ASP 85 -9.223 15.532 1.695 692 HB2 ASP 85 HB1 ASP 85 -11.635 16.113 1.574 693 HB3 ASP 85 HB2 ASP 85 -11.172 14.973 0.293 694 H PHE 86 H PHE 86 -9.855 13.141 4.089 695 HA PHE 86 HA PHE 86 -11.200 14.841 5.990 696 HB2 PHE 86 HB1 PHE 86 -10.203 12.049 5.917 697 HB3 PHE 86 HB2 PHE 86 -10.365 12.790 7.518 698 HD1 PHE 86 HD1 PHE 86 -12.378 12.647 4.314 699 HD2 PHE 86 HD2 PHE 86 -12.371 12.374 8.611 700 HE1 PHE 86 HE1 PHE 86 -14.834 12.303 4.295 701 HE2 PHE 86 HE2 PHE 86 -14.824 11.983 8.588 702 HZ PHE 86 HZ PHE 86 -16.063 11.963 6.430 703 H PHE 87 H PHE 87 -7.938 14.882 5.065 704 HA PHE 87 HA PHE 87 -7.456 16.549 7.458 705 HB2 PHE 87 HB1 PHE 87 -5.156 16.187 7.365 706 HB3 PHE 87 HB2 PHE 87 -5.969 14.614 7.293 707 HD1 PHE 87 HD2 PHE 87 -6.250 13.591 4.847 708 HD2 PHE 87 HD1 PHE 87 -3.427 16.654 5.933 709 HE1 PHE 87 HE2 PHE 87 -4.771 12.896 2.975 710 HE2 PHE 87 HE1 PHE 87 -1.954 15.948 4.072 711 HZ PHE 87 HZ PHE 87 -2.602 14.053 2.608 712 H LEU 88 H LEU 88 -8.807 17.131 4.792 713 HA LEU 88 HA LEU 88 -7.281 19.565 4.108 714 HB2 LEU 88 HB1 LEU 88 -9.207 17.904 2.493 715 HB3 LEU 88 HB2 LEU 88 -8.795 19.578 2.047 716 HG LEU 88 HG LEU 88 -6.377 18.870 2.222 717 HD11 LEU 88 HD11 LEU 88 -5.737 16.540 1.869 718 HD12 LEU 88 HD12 LEU 88 -6.562 16.790 3.418 719 HD13 LEU 88 HD13 LEU 88 -7.435 16.058 2.051 720 HD21 LEU 88 HD21 LEU 88 -6.293 18.079 -0.091 721 HD22 LEU 88 HD22 LEU 88 -8.029 17.706 -0.019 722 HD23 LEU 88 HD23 LEU 88 -7.472 19.389 0.132 723 H GLU 89 H GLU 89 -10.418 19.943 3.044 724 HA GLU 89 HA GLU 89 -11.511 21.558 5.093 725 HB2 GLU 89 HB1 GLU 89 -9.128 22.547 4.724 726 HB3 GLU 89 HB2 GLU 89 -9.774 23.151 3.180 727 HG2 GLU 89 HG1 GLU 89 -11.289 24.610 4.249 728 HG3 GLU 89 HG2 GLU 89 -11.174 23.746 5.797 729 H ASP 90 H ASP 90 -10.969 21.006 1.632 730 HA ASP 90 HA ASP 90 -11.908 21.713 -0.255 731 HB2 ASP 90 HB1 ASP 90 -13.772 20.335 0.614 732 HB3 ASP 90 HB2 ASP 90 -14.549 21.821 1.204 733 H ASN 91 H ASN 91 -10.721 23.821 1.373 734 HA ASN 91 HA ASN 91 -12.140 26.255 0.749 735 HB2 ASN 91 HB1 ASN 91 -10.085 25.688 2.331 736 HB3 ASN 91 HB2 ASN 91 -9.146 26.109 0.883 737 HD21 ASN 91 HD21 ASN 91 -9.632 27.438 3.620 738 HD22 ASN 91 HD22 ASN 91 -10.053 29.091 3.212 739 H LYS 92 H LYS 92 -9.595 24.444 -0.846 740 HA LYS 92 HA LYS 92 -8.952 24.060 -2.938 741 HB2 LYS 92 HB1 LYS 92 -10.920 26.117 -3.805 742 HB3 LYS 92 HB2 LYS 92 -9.586 25.652 -4.889 743 HG2 LYS 92 HG1 LYS 92 -11.398 24.250 -5.453 744 HG3 LYS 92 HG2 LYS 92 -10.265 23.248 -4.515 745 HD2 LYS 92 HD1 LYS 92 -12.465 22.638 -3.868 746 HD3 LYS 92 HD2 LYS 92 -11.758 23.570 -2.526 747 HE2 LYS 92 HE1 LYS 92 -12.984 25.587 -3.312 748 HE3 LYS 92 HE2 LYS 92 -13.727 24.614 -4.600 749 HZ1 LYS 92 HZ1 LYS 92 -15.149 24.788 -2.687 750 HZ2 LYS 92 HZ2 LYS 92 -14.687 23.218 -2.905 751 HZ3 LYS 92 HZ3 LYS 92 -13.998 24.122 -1.710 752 HA MET 1 HA MET 1 -12.210 2.713 5.716 753 HB2 MET 1 HB1 MET 1 -11.903 0.236 4.465 754 HB3 MET 1 HB2 MET 1 -11.961 -0.174 6.197 755 HG2 MET 1 HG1 MET 1 -14.024 1.417 4.654 756 HG3 MET 1 HG2 MET 1 -14.167 -0.280 5.143 757 HE1 MET 1 HE1 MET 1 -15.307 -0.283 8.720 758 HE2 MET 1 HE2 MET 1 -15.433 -1.043 7.117 759 HE3 MET 1 HE3 MET 1 -13.846 -0.887 7.906 760 H GLU 2 H GLU 2 -12.758 1.911 8.164 761 HA GLU 2 HA GLU 2 -10.378 1.609 9.739 762 HB2 GLU 2 HB1 GLU 2 -13.242 0.927 10.366 763 HB3 GLU 2 HB2 GLU 2 -11.903 0.576 11.484 764 HG2 GLU 2 HG1 GLU 2 -12.772 3.283 10.415 765 HG3 GLU 2 HG2 GLU 2 -12.837 2.710 12.095 766 H THR 3 H THR 3 -9.065 0.247 9.624 767 HA THR 3 HA THR 3 -9.090 -2.574 9.290 768 HB THR 3 HB THR 3 -7.714 -2.236 7.030 769 HG1 THR 3 HG1 THR 3 -8.892 -0.865 5.629 770 HG21 THR 3 HG21 THR 3 -9.674 -3.072 5.780 771 HG22 THR 3 HG22 THR 3 -9.527 -3.857 7.366 772 HG23 THR 3 HG23 THR 3 -10.730 -2.570 7.116 773 HA PRO 4 HA PRO 4 -5.513 -1.642 11.310 774 HB2 PRO 4 HB1 PRO 4 -3.717 -3.690 10.884 775 HB3 PRO 4 HB2 PRO 4 -5.278 -3.881 11.750 776 HG2 PRO 4 HG1 PRO 4 -4.707 -4.450 8.829 777 HG3 PRO 4 HG2 PRO 4 -5.515 -5.527 10.016 778 HD2 PRO 4 HD1 PRO 4 -6.968 -3.986 8.320 779 HD3 PRO 4 HD2 PRO 4 -7.470 -4.151 10.031 780 H LEU 5 H LEU 5 -4.431 -2.324 7.882 781 HA LEU 5 HA LEU 5 -1.903 -1.017 8.298 782 HB2 LEU 5 HB1 LEU 5 -2.183 -2.639 6.565 783 HB3 LEU 5 HB2 LEU 5 -3.467 -1.673 5.799 784 HG LEU 5 HG LEU 5 -1.867 0.012 5.120 785 HD11 LEU 5 HD11 LEU 5 0.573 -0.237 5.456 786 HD12 LEU 5 HD12 LEU 5 -0.280 -0.065 7.006 787 HD13 LEU 5 HD13 LEU 5 0.283 -1.667 6.471 788 HD21 LEU 5 HD21 LEU 5 -0.567 -1.387 3.538 789 HD22 LEU 5 HD22 LEU 5 -0.896 -2.825 4.536 790 HD23 LEU 5 HD23 LEU 5 -2.233 -1.991 3.708 791 H GLU 6 H GLU 6 -5.084 0.188 7.333 792 HA GLU 6 HA GLU 6 -4.576 2.790 6.505 793 HB2 GLU 6 HB1 GLU 6 -6.799 1.608 6.701 794 HB3 GLU 6 HB2 GLU 6 -6.742 1.904 8.455 795 HG2 GLU 6 HG1 GLU 6 -8.101 3.637 7.680 796 HG3 GLU 6 HG2 GLU 6 -6.506 4.412 7.788 797 H LYS 7 H LYS 7 -4.220 1.435 9.798 798 HA LYS 7 HA LYS 7 -4.243 3.977 11.115 799 HB2 LYS 7 HB1 LYS 7 -3.054 1.359 12.040 800 HB3 LYS 7 HB2 LYS 7 -3.473 2.762 13.054 801 HG2 LYS 7 HG1 LYS 7 -5.377 0.966 11.515 802 HG3 LYS 7 HG2 LYS 7 -5.186 1.071 13.281 803 HD2 LYS 7 HD1 LYS 7 -7.089 2.298 13.035 804 HD3 LYS 7 HD2 LYS 7 -5.880 3.593 12.866 805 HE2 LYS 7 HE1 LYS 7 -6.099 3.443 10.399 806 HE3 LYS 7 HE2 LYS 7 -7.350 2.198 10.600 807 HZ1 LYS 7 HZ1 LYS 7 -8.295 4.364 10.281 808 HZ2 LYS 7 HZ2 LYS 7 -8.664 3.802 11.785 809 HZ3 LYS 7 HZ3 LYS 7 -7.503 4.959 11.598 810 H ALA 8 H ALA 8 -1.590 2.202 9.500 811 HA ALA 8 HA ALA 8 0.502 3.951 10.313 812 HB1 ALA 8 HB1 ALA 8 1.633 3.177 8.257 813 HB2 ALA 8 HB2 ALA 8 0.880 1.822 9.130 814 HB3 ALA 8 HB3 ALA 8 0.101 2.488 7.673 815 H LEU 9 H LEU 9 -1.776 4.162 7.528 816 HA LEU 9 HA LEU 9 -0.798 6.643 6.525 817 HB2 LEU 9 HB1 LEU 9 -3.425 5.177 6.202 818 HB3 LEU 9 HB2 LEU 9 -3.076 6.724 5.394 819 HG LEU 9 HG LEU 9 -2.764 5.013 3.810 820 HD11 LEU 9 HD11 LEU 9 -0.392 5.244 3.166 821 HD12 LEU 9 HD12 LEU 9 -1.073 6.783 3.734 822 HD13 LEU 9 HD13 LEU 9 -0.012 5.830 4.800 823 HD21 LEU 9 HD21 LEU 9 -1.263 3.075 4.068 824 HD22 LEU 9 HD22 LEU 9 -0.909 3.579 5.734 825 HD23 LEU 9 HD23 LEU 9 -2.555 3.073 5.284 826 H THR 10 H THR 10 -3.513 5.878 8.764 827 HA THR 10 HA THR 10 -4.512 8.454 9.255 828 HB THR 10 HB THR 10 -4.167 6.232 11.300 829 HG1 THR 10 HG1 THR 10 -6.255 5.594 10.585 830 HG21 THR 10 HG21 THR 10 -6.231 7.189 12.291 831 HG22 THR 10 HG22 THR 10 -4.928 8.397 12.226 832 HG23 THR 10 HG23 THR 10 -6.248 8.441 11.030 833 H THR 11 H THR 11 -1.944 6.662 11.073 834 HA THR 11 HA THR 11 -1.213 8.827 12.756 835 HB THR 11 HB THR 11 0.332 6.397 11.812 836 HG1 THR 11 HG1 THR 11 -0.323 5.731 13.922 837 HG21 THR 11 HG21 THR 11 1.768 6.733 13.813 838 HG22 THR 11 HG22 THR 11 1.918 8.095 12.682 839 HG23 THR 11 HG23 THR 11 0.926 8.260 14.152 840 H MET 12 H MET 12 0.083 7.848 9.519 841 HA MET 12 HA MET 12 2.076 9.875 9.465 842 HB2 MET 12 HB1 MET 12 0.764 8.188 7.349 843 HB3 MET 12 HB2 MET 12 1.836 9.531 6.884 844 HG2 MET 12 HG1 MET 12 3.612 8.584 8.343 845 HG3 MET 12 HG2 MET 12 2.546 7.225 8.736 846 HE1 MET 12 HE1 MET 12 5.662 6.205 6.272 847 HE2 MET 12 HE2 MET 12 5.625 7.707 7.225 848 HE3 MET 12 HE3 MET 12 5.125 6.168 7.969 849 H VAL 13 H VAL 13 -1.371 10.009 8.307 850 HA VAL 13 HA VAL 13 -0.971 12.652 7.253 851 HB VAL 13 HB VAL 13 -3.375 12.914 7.111 852 HG11 VAL 13 HG11 VAL 13 -3.729 11.219 5.352 853 HG12 VAL 13 HG12 VAL 13 -2.093 11.909 5.289 854 HG13 VAL 13 HG13 VAL 13 -2.352 10.290 5.983 855 HG21 VAL 13 HG21 VAL 13 -4.963 11.084 7.514 856 HG22 VAL 13 HG22 VAL 13 -3.658 10.129 8.241 857 HG23 VAL 13 HG23 VAL 13 -4.192 11.645 9.009 858 H THR 14 H THR 14 -2.163 11.472 10.432 859 HA THR 14 HA THR 14 -2.734 14.012 11.563 860 HB THR 14 HB THR 14 -1.807 11.386 12.763 861 HG1 THR 14 HG1 THR 14 -4.043 11.387 13.307 862 HG21 THR 14 HG21 THR 14 -2.612 12.227 14.955 863 HG22 THR 14 HG22 THR 14 -1.240 13.188 14.364 864 HG23 THR 14 HG23 THR 14 -2.897 13.824 14.230 865 H THR 15 H THR 15 0.358 12.136 11.587 866 HA THR 15 HA THR 15 1.695 14.126 13.165 867 HB THR 15 HB THR 15 3.793 12.856 12.544 868 HG1 THR 15 HG1 THR 15 3.385 10.799 11.628 869 HG21 THR 15 HG21 THR 15 3.231 10.917 13.976 870 HG22 THR 15 HG22 THR 15 2.561 12.424 14.636 871 HG23 THR 15 HG23 THR 15 1.503 11.280 13.777 872 H PHE 16 H PHE 16 1.667 13.518 9.595 873 HA PHE 16 HA PHE 16 3.608 15.567 9.048 874 HB2 PHE 16 HB1 PHE 16 2.917 13.764 7.496 875 HB3 PHE 16 HB2 PHE 16 1.328 14.532 7.337 876 HD1 PHE 16 HD1 PHE 16 1.279 16.972 6.386 877 HD2 PHE 16 HD2 PHE 16 4.697 14.374 6.079 878 HE1 PHE 16 HE1 PHE 16 2.072 18.233 4.400 879 HE2 PHE 16 HE2 PHE 16 5.411 15.545 4.007 880 HZ PHE 16 HZ PHE 16 4.048 17.434 3.122 881 H HIS 17 H HIS 17 0.012 15.632 9.232 882 HA HIS 17 HA HIS 17 -0.395 18.316 8.458 883 HB2 HIS 17 HB1 HIS 17 -2.105 16.616 8.556 884 HB3 HIS 17 HB2 HIS 17 -1.910 16.467 10.313 885 HD1 HIS 17 HD1 HIS 17 -4.604 16.855 10.296 886 HD2 HIS 17 HD2 HIS 17 -2.192 20.096 9.144 887 HE1 HIS 17 HE1 HIS 17 -6.068 18.938 10.451 888 HE2 HIS 17 HE2 HIS 17 -4.618 20.935 9.767 889 H LYS 18 H LYS 18 0.319 16.989 11.700 890 HA LYS 18 HA LYS 18 0.137 19.241 13.323 891 HB2 LYS 18 HB1 LYS 18 0.622 16.741 13.795 892 HB3 LYS 18 HB2 LYS 18 2.331 17.164 13.538 893 HG2 LYS 18 HG1 LYS 18 1.561 19.067 15.362 894 HG3 LYS 18 HG2 LYS 18 0.565 17.676 15.851 895 HD2 LYS 18 HD1 LYS 18 2.325 16.802 16.918 896 HD3 LYS 18 HD2 LYS 18 3.200 16.696 15.371 897 HE2 LYS 18 HE1 LYS 18 3.234 19.010 17.341 898 HE3 LYS 18 HE2 LYS 18 4.559 17.876 16.998 899 HZ1 LYS 18 HZ1 LYS 18 4.873 19.970 15.889 900 HZ2 LYS 18 HZ2 LYS 18 4.664 18.767 14.784 901 HZ3 LYS 18 HZ3 LYS 18 3.434 19.820 15.101 902 H TYR 19 H TYR 19 2.346 18.950 10.706 903 HA TYR 19 HA TYR 19 4.022 21.156 11.769 904 HB2 TYR 19 HB1 TYR 19 4.800 18.720 10.149 905 HB3 TYR 19 HB2 TYR 19 5.842 20.145 10.299 906 HD1 TYR 19 HD1 TYR 19 4.216 17.397 12.220 907 HD2 TYR 19 HD2 TYR 19 7.224 20.457 12.238 908 HE1 TYR 19 HE1 TYR 19 5.223 16.401 14.252 909 HE2 TYR 19 HE2 TYR 19 8.196 19.520 14.309 910 HH TYR 19 HH TYR 19 7.980 17.960 15.969 911 H SER 20 H SER 20 1.716 20.436 9.387 912 HA SER 20 HA SER 20 2.732 22.632 7.639 913 HB2 SER 20 HB1 SER 20 1.053 21.739 5.978 914 HB3 SER 20 HB2 SER 20 2.413 20.651 6.345 915 HG SER 20 HG SER 20 0.386 19.565 6.316 916 H GLY 21 H GLY 21 -0.144 21.445 9.419 917 HA2 GLY 21 HA2 GLY 21 -1.052 23.873 8.908 918 H ARG 22 H ARG 22 0.940 23.969 10.387 919 HA ARG 22 HA ARG 22 0.176 26.115 12.186 920 HB2 ARG 22 HB1 ARG 22 2.816 26.477 11.881 921 HB3 ARG 22 HB2 ARG 22 2.100 25.296 13.005 922 HG2 ARG 22 HG1 ARG 22 2.599 23.471 11.552 923 HG3 ARG 22 HG2 ARG 22 3.014 24.563 10.208 924 HD2 ARG 22 HD1 ARG 22 4.573 24.450 12.819 925 HD3 ARG 22 HD2 ARG 22 4.992 23.490 11.384 926 HE ARG 22 HE ARG 22 4.762 26.061 10.448 927 HH11 ARG 22 HH12 ARG 22 6.831 24.668 12.946 928 HH12 ARG 22 HH11 ARG 22 8.089 25.844 12.669 929 HH21 ARG 22 HH22 ARG 22 6.372 27.498 10.138 930 HH22 ARG 22 HH21 ARG 22 7.830 27.422 11.100 931 H GLU 23 H GLU 23 0.964 25.842 8.752 932 HA GLU 23 HA GLU 23 0.612 28.785 8.510 933 HB2 GLU 23 HB1 GLU 23 2.490 26.929 7.049 934 HB3 GLU 23 HB2 GLU 23 1.912 28.426 6.277 935 HG2 GLU 23 HG1 GLU 23 3.846 29.220 7.174 936 HG3 GLU 23 HG2 GLU 23 2.769 29.499 8.559 937 H GLY 24 H GLY 24 -0.507 25.619 7.509 938 HA2 GLY 24 HA2 GLY 24 -2.255 25.339 6.887 939 H SER 25 H SER 25 -2.389 25.482 3.573 940 HA SER 25 HA SER 25 -1.876 23.781 2.138 941 HB2 SER 25 HB1 SER 25 0.561 23.677 1.807 942 HB3 SER 25 HB2 SER 25 -0.004 25.333 2.132 943 HG SER 25 HG SER 25 1.904 24.802 3.293 944 H LYS 26 H LYS 26 -3.126 21.833 3.391 945 HA LYS 26 HA LYS 26 -1.444 20.828 5.532 946 HB2 LYS 26 HB1 LYS 26 -4.250 20.202 4.627 947 HB3 LYS 26 HB2 LYS 26 -3.459 19.283 5.931 948 HG2 LYS 26 HG1 LYS 26 -3.004 21.361 7.158 949 HG3 LYS 26 HG2 LYS 26 -3.704 22.321 5.834 950 HD2 LYS 26 HD1 LYS 26 -5.468 20.302 7.141 951 HD3 LYS 26 HD2 LYS 26 -5.042 21.755 8.077 952 HE2 LYS 26 HE1 LYS 26 -5.810 23.149 6.129 953 HE3 LYS 26 HE2 LYS 26 -6.381 21.657 5.350 954 HZ1 LYS 26 HZ1 LYS 26 -8.135 22.772 6.525 955 HZ2 LYS 26 HZ2 LYS 26 -7.829 21.310 7.221 956 HZ3 LYS 26 HZ3 LYS 26 -7.300 22.694 7.944 957 H LEU 27 H LEU 27 -1.472 20.067 2.315 958 HA LEU 27 HA LEU 27 -0.507 17.311 2.543 959 HB2 LEU 27 HB1 LEU 27 -0.655 19.015 0.050 960 HB3 LEU 27 HB2 LEU 27 -0.701 17.241 0.191 961 HG LEU 27 HG LEU 27 -2.908 19.214 0.816 962 HD11 LEU 27 HD11 LEU 27 -4.077 17.987 -0.994 963 HD12 LEU 27 HD12 LEU 27 -2.534 18.663 -1.563 964 HD13 LEU 27 HD13 LEU 27 -2.662 16.928 -1.189 965 HD21 LEU 27 HD21 LEU 27 -4.359 17.297 1.391 966 HD22 LEU 27 HD22 LEU 27 -2.966 16.205 1.240 967 HD23 LEU 27 HD23 LEU 27 -2.993 17.444 2.518 968 H THR 28 H THR 28 0.931 20.491 2.569 969 HA THR 28 HA THR 28 3.542 19.374 1.770 970 HB THR 28 HB THR 28 4.057 21.447 0.483 971 HG1 THR 28 HG1 THR 28 2.258 22.628 -0.294 972 HG21 THR 28 HG21 THR 28 2.872 20.767 -1.579 973 HG22 THR 28 HG22 THR 28 3.476 19.359 -0.681 974 HG23 THR 28 HG23 THR 28 1.752 19.792 -0.604 975 H LEU 29 H LEU 29 5.396 20.359 2.599 976 HA LEU 29 HA LEU 29 5.206 22.791 4.151 977 HB2 LEU 29 HB1 LEU 29 5.595 22.084 6.295 978 HB3 LEU 29 HB2 LEU 29 4.466 20.847 5.691 979 HG LEU 29 HG LEU 29 7.478 20.494 5.892 980 HD11 LEU 29 HD11 LEU 29 6.959 19.059 7.845 981 HD12 LEU 29 HD12 LEU 29 6.412 20.730 8.113 982 HD13 LEU 29 HD13 LEU 29 5.235 19.467 7.684 983 HD21 LEU 29 HD21 LEU 29 6.982 18.091 5.566 984 HD22 LEU 29 HD22 LEU 29 5.257 18.476 5.386 985 HD23 LEU 29 HD23 LEU 29 6.430 19.057 4.180 986 H SER 30 H SER 30 7.238 23.474 5.176 987 HA SER 30 HA SER 30 9.370 23.442 3.308 988 HB2 SER 30 HB1 SER 30 9.399 24.295 6.227 989 HB3 SER 30 HB2 SER 30 10.548 24.797 4.964 990 HG SER 30 HG SER 30 8.904 26.359 5.346 991 H ARG 31 H ARG 31 11.229 22.297 3.110 992 HA ARG 31 HA ARG 31 11.795 19.846 4.171 993 HB2 ARG 31 HB1 ARG 31 14.242 21.436 3.886 994 HB3 ARG 31 HB2 ARG 31 13.740 19.928 3.086 995 HG2 ARG 31 HG1 ARG 31 12.602 22.480 2.072 996 HG3 ARG 31 HG2 ARG 31 14.322 22.145 1.769 997 HD2 ARG 31 HD1 ARG 31 12.077 20.242 1.046 998 HD3 ARG 31 HD2 ARG 31 12.758 21.445 -0.069 999 HE ARG 31 HE ARG 31 14.982 20.113 0.786 1000 HH11 ARG 31 HH12 ARG 31 12.001 19.022 -0.732 1001 HH12 ARG 31 HH11 ARG 31 12.723 17.564 -1.362 1002 HH21 ARG 31 HH22 ARG 31 15.844 18.140 0.013 1003 HH22 ARG 31 HH21 ARG 31 14.853 17.075 -0.951 1004 H LYS 32 H LYS 32 12.692 22.917 5.668 1005 HA LYS 32 HA LYS 32 14.475 21.935 7.691 1006 HB2 LYS 32 HB1 LYS 32 14.480 24.153 6.557 1007 HB3 LYS 32 HB2 LYS 32 12.959 24.550 7.393 1008 HG2 LYS 32 HG1 LYS 32 14.020 24.649 9.511 1009 HG3 LYS 32 HG2 LYS 32 15.479 23.822 8.911 1010 HD2 LYS 32 HD1 LYS 32 15.892 26.235 9.187 1011 HD3 LYS 32 HD2 LYS 32 15.994 25.765 7.473 1012 HE2 LYS 32 HE1 LYS 32 13.553 26.502 7.274 1013 HE3 LYS 32 HE2 LYS 32 13.740 27.230 8.883 1014 HZ1 LYS 32 HZ1 LYS 32 14.105 28.820 7.143 1015 HZ2 LYS 32 HZ2 LYS 32 15.493 28.583 7.998 1016 HZ3 LYS 32 HZ3 LYS 32 15.320 27.909 6.502 1017 H GLU 33 H GLU 33 11.001 22.288 7.557 1018 HA GLU 33 HA GLU 33 10.659 21.970 10.463 1019 HB2 GLU 33 HB1 GLU 33 9.236 23.467 9.053 1020 HB3 GLU 33 HB2 GLU 33 8.654 22.032 8.173 1021 HG2 GLU 33 HG1 GLU 33 6.995 22.601 9.774 1022 HG3 GLU 33 HG2 GLU 33 7.813 21.134 10.354 1023 H LEU 34 H LEU 34 10.231 20.045 7.431 1024 HA LEU 34 HA LEU 34 9.105 17.738 8.623 1025 HB2 LEU 34 HB1 LEU 34 9.135 18.191 6.204 1026 HB3 LEU 34 HB2 LEU 34 10.899 17.957 6.180 1027 HG LEU 34 HG LEU 34 10.619 15.626 6.860 1028 HD11 LEU 34 HD11 LEU 34 8.414 14.518 6.931 1029 HD12 LEU 34 HD12 LEU 34 8.550 15.784 8.167 1030 HD13 LEU 34 HD13 LEU 34 7.625 16.088 6.677 1031 HD21 LEU 34 HD21 LEU 34 9.622 14.736 4.783 1032 HD22 LEU 34 HD22 LEU 34 8.873 16.317 4.472 1033 HD23 LEU 34 HD23 LEU 34 10.646 16.153 4.461 1034 H LYS 35 H LYS 35 12.576 18.607 8.131 1035 HA LYS 35 HA LYS 35 13.657 16.219 9.154 1036 HB2 LYS 35 HB1 LYS 35 15.724 17.375 9.359 1037 HB3 LYS 35 HB2 LYS 35 14.891 17.942 7.892 1038 HG2 LYS 35 HG1 LYS 35 14.184 19.976 9.094 1039 HG3 LYS 35 HG2 LYS 35 15.053 19.412 10.541 1040 HD2 LYS 35 HD1 LYS 35 16.412 19.856 7.866 1041 HD3 LYS 35 HD2 LYS 35 16.261 21.130 9.100 1042 HE2 LYS 35 HE1 LYS 35 17.539 19.802 10.694 1043 HE3 LYS 35 HE2 LYS 35 17.589 18.430 9.566 1044 HZ1 LYS 35 HZ1 LYS 35 19.621 19.691 9.524 1045 HZ2 LYS 35 HZ2 LYS 35 18.861 19.795 8.064 1046 HZ3 LYS 35 HZ3 LYS 35 18.814 21.068 9.110 1047 H GLU 36 H GLU 36 12.213 18.893 10.948 1048 HA GLU 36 HA GLU 36 13.187 17.906 13.516 1049 HB2 GLU 36 HB1 GLU 36 12.859 20.315 12.878 1050 HB3 GLU 36 HB2 GLU 36 11.105 20.019 12.928 1051 HG2 GLU 36 HG1 GLU 36 11.760 21.048 14.984 1052 HG3 GLU 36 HG2 GLU 36 11.338 19.354 15.314 1053 H LEU 37 H LEU 37 10.040 17.763 11.719 1054 HA LEU 37 HA LEU 37 8.589 16.147 13.515 1055 HB2 LEU 37 HB1 LEU 37 7.470 17.025 11.725 1056 HB3 LEU 37 HB2 LEU 37 8.745 16.579 10.567 1057 HG LEU 37 HG LEU 37 7.948 14.347 10.438 1058 HD11 LEU 37 HD11 LEU 37 5.869 13.541 11.494 1059 HD12 LEU 37 HD12 LEU 37 7.108 13.930 12.701 1060 HD13 LEU 37 HD13 LEU 37 5.761 15.057 12.407 1061 HD21 LEU 37 HD21 LEU 37 5.713 14.798 9.426 1062 HD22 LEU 37 HD22 LEU 37 5.637 16.342 10.301 1063 HD23 LEU 37 HD23 LEU 37 6.867 16.094 9.038 1064 H ILE 38 H ILE 38 10.980 15.118 11.074 1065 HA ILE 38 HA ILE 38 11.132 12.360 11.609 1066 HB ILE 38 HB ILE 38 12.989 14.440 10.477 1067 HG12 ILE 38 HG13 ILE 38 11.799 12.045 9.072 1068 HG13 ILE 38 HG12 ILE 38 10.821 13.498 9.390 1069 HG21 ILE 38 HG21 ILE 38 14.529 12.710 9.611 1070 HG22 ILE 38 HG22 ILE 38 14.529 12.761 11.385 1071 HG23 ILE 38 HG23 ILE 38 13.644 11.477 10.528 1072 HD11 ILE 38 HD11 ILE 38 11.811 13.568 7.121 1073 HD12 ILE 38 HD12 ILE 38 12.453 14.871 8.145 1074 HD13 ILE 38 HD13 ILE 38 13.433 13.419 7.829 1075 H LYS 39 H LYS 39 12.133 14.904 13.686 1076 HA LYS 39 HA LYS 39 13.907 13.092 15.231 1077 HB2 LYS 39 HB1 LYS 39 13.837 16.004 14.610 1078 HB3 LYS 39 HB2 LYS 39 14.362 15.565 16.253 1079 HG2 LYS 39 HG1 LYS 39 15.579 14.573 13.661 1080 HG3 LYS 39 HG2 LYS 39 16.257 15.830 14.724 1081 HD2 LYS 39 HD1 LYS 39 15.978 12.865 15.285 1082 HD3 LYS 39 HD2 LYS 39 17.475 13.811 15.107 1083 HE2 LYS 39 HE1 LYS 39 16.918 15.051 17.186 1084 HE3 LYS 39 HE2 LYS 39 15.456 14.060 17.371 1085 HZ1 LYS 39 HZ1 LYS 39 17.267 13.221 18.680 1086 HZ2 LYS 39 HZ2 LYS 39 16.858 12.129 17.513 1087 HZ3 LYS 39 HZ3 LYS 39 18.217 13.048 17.341 1088 H LYS 40 H LYS 40 10.912 14.923 15.494 1089 HA LYS 40 HA LYS 40 10.891 14.687 18.446 1090 HB2 LYS 40 HB1 LYS 40 9.610 16.445 16.418 1091 HB3 LYS 40 HB2 LYS 40 8.624 16.046 17.845 1092 HG2 LYS 40 HG1 LYS 40 9.866 18.171 18.078 1093 HG3 LYS 40 HG2 LYS 40 10.288 16.971 19.322 1094 HD2 LYS 40 HD1 LYS 40 12.407 16.529 18.309 1095 HD3 LYS 40 HD2 LYS 40 11.959 17.400 16.824 1096 HE2 LYS 40 HE1 LYS 40 11.816 19.511 18.084 1097 HE3 LYS 40 HE2 LYS 40 12.202 18.653 19.592 1098 HZ1 LYS 40 HZ1 LYS 40 14.124 19.723 18.660 1099 HZ2 LYS 40 HZ2 LYS 40 14.326 18.087 18.649 1100 HZ3 LYS 40 HZ3 LYS 40 13.967 18.883 17.249 1101 H GLU 41 H GLU 41 8.675 13.969 15.649 1102 HA GLU 41 HA GLU 41 7.026 12.292 17.371 1103 HB2 GLU 41 HB1 GLU 41 6.961 12.291 14.357 1104 HB3 GLU 41 HB2 GLU 41 5.657 11.898 15.504 1105 HG2 GLU 41 HG1 GLU 41 6.781 14.635 14.886 1106 HG3 GLU 41 HG2 GLU 41 5.202 13.986 14.395 1107 H LEU 42 H LEU 42 9.790 11.830 15.235 1108 HA LEU 42 HA LEU 42 9.809 8.942 15.959 1109 HB2 LEU 42 HB1 LEU 42 9.648 9.259 13.564 1110 HB3 LEU 42 HB2 LEU 42 11.014 10.400 13.589 1111 HG LEU 42 HG LEU 42 12.552 8.631 14.174 1112 HD11 LEU 42 HD11 LEU 42 11.892 6.244 14.296 1113 HD12 LEU 42 HD12 LEU 42 11.104 7.200 15.567 1114 HD13 LEU 42 HD13 LEU 42 10.187 6.715 14.121 1115 HD21 LEU 42 HD21 LEU 42 12.404 7.271 12.103 1116 HD22 LEU 42 HD22 LEU 42 10.710 7.774 11.899 1117 HD23 LEU 42 HD23 LEU 42 12.018 8.977 11.782 1118 H CYS 43 H CYS 43 11.045 8.680 17.707 1119 HA CYS 43 HA CYS 43 13.373 10.327 18.246 1120 HB2 CYS 43 HB1 CYS 43 12.519 7.710 19.537 1121 HB3 CYS 43 HB2 CYS 43 13.614 8.942 20.212 1122 HG CYS 43 HG CYS 43 11.324 8.993 21.487 1123 H LEU 44 H LEU 44 15.361 8.675 19.037 1124 HA LEU 44 HA LEU 44 16.947 7.116 18.627 1125 HB2 LEU 44 HB1 LEU 44 15.302 6.186 16.253 1126 HB3 LEU 44 HB2 LEU 44 16.707 5.352 16.957 1127 HG LEU 44 HG LEU 44 14.571 5.881 18.904 1128 HD11 LEU 44 HD11 LEU 44 13.005 4.186 18.010 1129 HD12 LEU 44 HD12 LEU 44 13.167 5.567 16.899 1130 HD13 LEU 44 HD13 LEU 44 14.004 4.036 16.545 1131 HD21 LEU 44 HD21 LEU 44 14.947 3.507 19.464 1132 HD22 LEU 44 HD22 LEU 44 15.977 3.334 18.025 1133 HD23 LEU 44 HD23 LEU 44 16.479 4.400 19.359 1134 H GLY 45 H GLY 45 16.017 9.484 16.372 1135 HA2 GLY 45 HA2 GLY 45 18.383 9.160 15.244 1136 H GLU 46 H GLU 46 19.323 8.975 16.812 1137 HA GLU 46 HA GLU 46 21.464 10.942 16.793 1138 HB2 GLU 46 HB1 GLU 46 21.642 10.649 19.340 1139 HB3 GLU 46 HB2 GLU 46 20.450 11.797 18.685 1140 HG2 GLU 46 HG1 GLU 46 19.501 9.030 19.305 1141 HG3 GLU 46 HG2 GLU 46 19.884 10.097 20.675 1142 H MET 47 H MET 47 20.491 7.758 16.399 1143 HA MET 47 HA MET 47 23.223 6.842 16.510 1144 HB2 MET 47 HB1 MET 47 22.917 4.990 18.050 1145 HB3 MET 47 HB2 MET 47 22.723 6.585 18.815 1146 HG2 MET 47 HG1 MET 47 21.015 5.479 19.816 1147 HG3 MET 47 HG2 MET 47 20.162 6.103 18.395 1148 HE1 MET 47 HE1 MET 47 18.475 3.183 17.046 1149 HE2 MET 47 HE2 MET 47 18.234 4.628 18.061 1150 HE3 MET 47 HE3 MET 47 19.160 4.750 16.545 1151 H LYS 48 H LYS 48 20.363 6.721 14.882 1152 HA LYS 48 HA LYS 48 20.776 4.263 13.493 1153 HB2 LYS 48 HB1 LYS 48 19.734 6.964 12.650 1154 HB3 LYS 48 HB2 LYS 48 19.911 5.626 11.488 1155 HG2 LYS 48 HG1 LYS 48 17.803 5.158 12.032 1156 HG3 LYS 48 HG2 LYS 48 18.524 4.408 13.477 1157 HD2 LYS 48 HD1 LYS 48 17.411 5.809 14.818 1158 HD3 LYS 48 HD2 LYS 48 18.064 7.224 13.957 1159 HE2 LYS 48 HE1 LYS 48 16.315 6.830 12.174 1160 HE3 LYS 48 HE2 LYS 48 15.605 5.592 13.232 1161 HZ1 LYS 48 HZ1 LYS 48 14.467 7.684 13.427 1162 HZ2 LYS 48 HZ2 LYS 48 15.197 7.297 14.850 1163 HZ3 LYS 48 HZ3 LYS 48 15.856 8.448 13.870 1164 H GLU 49 H GLU 49 21.706 4.065 11.297 1165 HA GLU 49 HA GLU 49 24.443 4.521 10.999 1166 HB2 GLU 49 HB1 GLU 49 22.606 3.032 9.786 1167 HB3 GLU 49 HB2 GLU 49 22.612 4.376 8.619 1168 HG2 GLU 49 HG1 GLU 49 25.014 2.683 9.388 1169 HG3 GLU 49 HG2 GLU 49 24.058 2.524 7.898 1170 H SER 50 H SER 50 25.698 6.021 9.751 1171 HA SER 50 HA SER 50 25.066 8.736 9.994 1172 HB2 SER 50 HB1 SER 50 27.334 7.605 9.715 1173 HB3 SER 50 HB2 SER 50 26.989 7.533 7.970 1174 HG SER 50 HG SER 50 28.186 9.405 8.563 1175 H SER 51 H SER 51 24.105 6.572 7.380 1176 HA SER 51 HA SER 51 23.703 8.429 5.311 1177 HB2 SER 51 HB1 SER 51 22.114 5.939 6.034 1178 HB3 SER 51 HB2 SER 51 22.025 6.793 4.476 1179 HG SER 51 HG SER 51 23.482 5.017 4.436 1180 H ILE 52 H ILE 52 21.760 8.233 8.331 1181 HA ILE 52 HA ILE 52 19.691 9.853 7.109 1182 HB ILE 52 HB ILE 52 18.889 8.685 8.804 1183 HG12 ILE 52 HG13 ILE 52 18.308 11.150 8.982 1184 HG13 ILE 52 HG12 ILE 52 17.827 10.023 10.272 1185 HG21 ILE 52 HG21 ILE 52 19.688 8.379 11.100 1186 HG22 ILE 52 HG22 ILE 52 20.877 7.877 9.887 1187 HG23 ILE 52 HG23 ILE 52 21.066 9.430 10.737 1188 HD11 ILE 52 HD11 ILE 52 18.567 12.195 11.215 1189 HD12 ILE 52 HD12 ILE 52 19.648 10.874 11.693 1190 HD13 ILE 52 HD13 ILE 52 20.130 11.999 10.400 1191 H ASP 53 H ASP 53 22.834 10.671 8.471 1192 HA ASP 53 HA ASP 53 22.069 13.386 9.099 1193 HB2 ASP 53 HB1 ASP 53 23.945 11.979 10.146 1194 HB3 ASP 53 HB2 ASP 53 24.904 12.428 8.720 1195 H ASP 54 H ASP 54 23.660 11.869 6.212 1196 HA ASP 54 HA ASP 54 23.876 14.262 4.711 1197 HB2 ASP 54 HB1 ASP 54 24.734 12.100 3.864 1198 HB3 ASP 54 HB2 ASP 54 23.066 11.522 3.659 1199 H LEU 55 H LEU 55 21.025 12.087 5.196 1200 HA LEU 55 HA LEU 55 19.347 13.461 3.343 1201 HB2 LEU 55 HB1 LEU 55 18.660 11.673 5.684 1202 HB3 LEU 55 HB2 LEU 55 17.521 12.196 4.419 1203 HG LEU 55 HG LEU 55 20.045 10.597 3.894 1204 HD11 LEU 55 HD11 LEU 55 18.523 8.651 3.658 1205 HD12 LEU 55 HD12 LEU 55 18.445 9.334 5.299 1206 HD13 LEU 55 HD13 LEU 55 17.146 9.673 4.131 1207 HD21 LEU 55 HD21 LEU 55 19.004 10.126 1.696 1208 HD22 LEU 55 HD22 LEU 55 17.625 11.155 2.133 1209 HD23 LEU 55 HD23 LEU 55 19.241 11.870 1.938 1210 H MET 56 H MET 56 19.765 13.823 6.870 1211 HA MET 56 HA MET 56 17.952 15.966 7.276 1212 HB2 MET 56 HB1 MET 56 20.531 15.154 8.666 1213 HB3 MET 56 HB2 MET 56 19.449 16.431 9.268 1214 HG2 MET 56 HG1 MET 56 18.598 13.572 8.738 1215 HG3 MET 56 HG2 MET 56 19.125 14.174 10.319 1216 HE1 MET 56 HE1 MET 56 16.328 15.930 11.847 1217 HE2 MET 56 HE2 MET 56 17.671 14.774 12.044 1218 HE3 MET 56 HE3 MET 56 17.982 16.389 11.364 1219 H LYS 57 H LYS 57 21.328 16.016 6.041 1220 HA LYS 57 HA LYS 57 21.356 18.920 5.825 1221 HB2 LYS 57 HB1 LYS 57 23.228 16.822 5.671 1222 HB3 LYS 57 HB2 LYS 57 23.185 17.530 4.037 1223 HG2 LYS 57 HG1 LYS 57 23.819 18.941 6.645 1224 HG3 LYS 57 HG2 LYS 57 24.938 18.579 5.309 1225 HD2 LYS 57 HD1 LYS 57 24.558 20.677 4.598 1226 HD3 LYS 57 HD2 LYS 57 22.943 20.116 4.101 1227 HE2 LYS 57 HE1 LYS 57 22.116 20.661 6.413 1228 HE3 LYS 57 HE2 LYS 57 23.708 21.363 6.770 1229 HZ1 LYS 57 HZ1 LYS 57 22.119 23.034 6.156 1230 HZ2 LYS 57 HZ2 LYS 57 23.324 22.956 5.037 1231 HZ3 LYS 57 HZ3 LYS 57 21.846 22.304 4.705 1232 H SER 58 H SER 58 20.225 16.300 3.833 1233 HA SER 58 HA SER 58 20.258 17.753 1.331 1234 HB2 SER 58 HB1 SER 58 19.627 14.899 2.051 1235 HB3 SER 58 HB2 SER 58 19.361 15.555 0.417 1236 HG SER 58 HG SER 58 21.477 14.664 0.685 1237 H LEU 59 H LEU 59 17.708 16.930 3.682 1238 HA LEU 59 HA LEU 59 15.669 18.387 2.278 1239 HB2 LEU 59 HB1 LEU 59 16.315 17.944 5.219 1240 HB3 LEU 59 HB2 LEU 59 14.833 18.743 4.641 1241 HG LEU 59 HG LEU 59 15.687 15.881 4.091 1242 HD11 LEU 59 HD11 LEU 59 13.716 15.293 5.464 1243 HD12 LEU 59 HD12 LEU 59 14.879 16.275 6.384 1244 HD13 LEU 59 HD13 LEU 59 13.396 17.021 5.742 1245 HD21 LEU 59 HD21 LEU 59 13.505 15.599 2.973 1246 HD22 LEU 59 HD22 LEU 59 13.170 17.331 3.198 1247 HD23 LEU 59 HD23 LEU 59 14.510 16.812 2.146 1248 H ASP 60 H ASP 60 18.111 19.331 4.624 1249 HA ASP 60 HA ASP 60 17.557 22.135 4.760 1250 HB2 ASP 60 HB1 ASP 60 18.444 20.334 6.408 1251 HB3 ASP 60 HB2 ASP 60 20.023 20.654 5.660 1252 H LYS 61 H LYS 61 18.572 20.992 1.981 1253 HA LYS 61 HA LYS 61 21.076 22.401 1.593 1254 HB2 LYS 61 HB1 LYS 61 19.120 21.435 -0.514 1255 HB3 LYS 61 HB2 LYS 61 20.798 21.967 -0.785 1256 HG2 LYS 61 HG1 LYS 61 21.543 20.160 0.807 1257 HG3 LYS 61 HG2 LYS 61 19.863 19.573 0.840 1258 HD2 LYS 61 HD1 LYS 61 20.212 18.419 -1.047 1259 HD3 LYS 61 HD2 LYS 61 20.649 19.919 -1.899 1260 HE2 LYS 61 HE1 LYS 61 22.550 18.611 -2.186 1261 HE3 LYS 61 HE2 LYS 61 22.974 19.603 -0.773 1262 HZ1 LYS 61 HZ1 LYS 61 23.580 17.308 -0.461 1263 HZ2 LYS 61 HZ2 LYS 61 22.417 17.740 0.622 1264 HZ3 LYS 61 HZ3 LYS 61 22.025 16.820 -0.690 1265 H ASN 62 H ASN 62 17.772 23.018 0.391 1266 HA ASN 62 HA ASN 62 18.220 25.940 0.706 1267 HB2 ASN 62 HB1 ASN 62 16.612 24.564 -1.472 1268 HB3 ASN 62 HB2 ASN 62 16.867 26.312 -1.288 1269 HD21 ASN 62 HD21 ASN 62 19.266 26.984 -1.205 1270 HD22 ASN 62 HD22 ASN 62 20.368 26.142 -2.278 1271 H SER 63 H SER 63 16.262 23.268 1.700 1272 HA SER 63 HA SER 63 15.467 23.219 3.739 1273 HB2 SER 63 HB1 SER 63 15.915 25.082 5.319 1274 HB3 SER 63 HB2 SER 63 17.331 24.518 4.399 1275 HG SER 63 HG SER 63 17.220 26.804 4.551 1276 H ASP 64 H ASP 64 14.181 26.188 2.221 1277 HA ASP 64 HA ASP 64 11.910 26.122 4.132 1278 HB2 ASP 64 HB1 ASP 64 13.175 28.315 2.454 1279 HB3 ASP 64 HB2 ASP 64 11.674 28.527 3.381 1280 H GLN 65 H GLN 65 12.776 25.649 0.845 1281 HA GLN 65 HA GLN 65 10.435 25.757 -0.609 1282 HB2 GLN 65 HB1 GLN 65 11.662 23.275 -1.230 1283 HB3 GLN 65 HB2 GLN 65 11.810 24.823 -2.096 1284 HG2 GLN 65 HG1 GLN 65 13.859 25.340 -1.052 1285 HG3 GLN 65 HG2 GLN 65 13.633 24.102 0.202 1286 HE21 GLN 65 HE12 GLN 65 13.605 24.056 -3.462 1287 HE22 GLN 65 HE22 GLN 65 14.716 22.710 -3.568 1288 H GLU 66 H GLU 66 8.797 24.271 -1.124 1289 HA GLU 66 HA GLU 66 7.911 22.722 1.163 1290 HB2 GLU 66 HB1 GLU 66 6.690 23.314 -1.548 1291 HB3 GLU 66 HB2 GLU 66 5.889 22.328 -0.300 1292 HG2 GLU 66 HG1 GLU 66 5.831 24.227 1.224 1293 HG3 GLU 66 HG2 GLU 66 6.764 25.217 0.081 1294 H ILE 67 H ILE 67 7.384 20.600 1.275 1295 HA ILE 67 HA ILE 67 7.726 18.866 -1.079 1296 HB ILE 67 HB ILE 67 8.335 17.119 0.924 1297 HG12 ILE 67 HG13 ILE 67 9.806 19.660 1.647 1298 HG13 ILE 67 HG12 ILE 67 8.699 18.717 2.674 1299 HG21 ILE 67 HG21 ILE 67 10.543 17.115 -0.136 1300 HG22 ILE 67 HG22 ILE 67 9.238 17.295 -1.334 1301 HG23 ILE 67 HG23 ILE 67 10.203 18.710 -0.852 1302 HD11 ILE 67 HD11 ILE 67 11.058 18.268 3.262 1303 HD12 ILE 67 HD12 ILE 67 10.265 16.812 2.618 1304 HD13 ILE 67 HD13 ILE 67 11.373 17.753 1.590 1305 H ASP 68 H ASP 68 6.431 17.068 -1.147 1306 HA ASP 68 HA ASP 68 4.075 17.060 0.624 1307 HB2 ASP 68 HB1 ASP 68 2.866 16.771 -1.207 1308 HB3 ASP 68 HB2 ASP 68 4.350 16.989 -2.159 1309 H PHE 69 H PHE 69 3.030 14.841 0.700 1310 HA PHE 69 HA PHE 69 4.248 13.295 2.596 1311 HB2 PHE 69 HB1 PHE 69 1.993 12.963 0.659 1312 HB3 PHE 69 HB2 PHE 69 2.509 11.533 1.569 1313 HD1 PHE 69 HD2 PHE 69 1.489 15.117 2.064 1314 HD2 PHE 69 HD1 PHE 69 1.674 11.136 3.696 1315 HE1 PHE 69 HE2 PHE 69 0.170 15.856 4.033 1316 HE2 PHE 69 HE1 PHE 69 0.312 11.865 5.641 1317 HZ PHE 69 HZ PHE 69 -0.487 14.214 5.777 1318 H LYS 70 H LYS 70 4.959 12.962 -0.865 1319 HA LYS 70 HA LYS 70 5.597 10.123 -0.658 1320 HB2 LYS 70 HB1 LYS 70 5.933 12.235 -2.810 1321 HB3 LYS 70 HB2 LYS 70 6.422 10.536 -3.022 1322 HG2 LYS 70 HG1 LYS 70 4.102 9.810 -2.545 1323 HG3 LYS 70 HG2 LYS 70 3.613 11.510 -2.340 1324 HD2 LYS 70 HD1 LYS 70 4.822 10.409 -4.897 1325 HD3 LYS 70 HD2 LYS 70 3.070 10.468 -4.586 1326 HE2 LYS 70 HE1 LYS 70 4.913 12.885 -4.624 1327 HE3 LYS 70 HE2 LYS 70 3.888 12.364 -5.978 1328 HZ1 LYS 70 HZ1 LYS 70 2.854 14.093 -4.697 1329 HZ2 LYS 70 HZ2 LYS 70 1.978 12.703 -4.581 1330 HZ3 LYS 70 HZ3 LYS 70 2.930 13.186 -3.323 1331 H GLU 71 H GLU 71 7.606 13.107 -1.195 1332 HA GLU 71 HA GLU 71 10.147 11.977 -0.768 1333 HB2 GLU 71 HB1 GLU 71 8.962 14.673 -0.042 1334 HB3 GLU 71 HB2 GLU 71 10.663 14.270 0.294 1335 HG2 GLU 71 HG1 GLU 71 9.995 13.582 -2.448 1336 HG3 GLU 71 HG2 GLU 71 9.565 15.274 -2.121 1337 H TYR 72 H TYR 72 7.623 12.938 1.552 1338 HA TYR 72 HA TYR 72 9.106 12.382 3.924 1339 HB2 TYR 72 HB1 TYR 72 7.332 13.807 4.161 1340 HB3 TYR 72 HB2 TYR 72 6.253 12.816 3.166 1341 HD1 TYR 72 HD2 TYR 72 8.175 12.300 6.380 1342 HD2 TYR 72 HD1 TYR 72 4.423 11.969 4.295 1343 HE1 TYR 72 HE2 TYR 72 7.063 11.609 8.488 1344 HE2 TYR 72 HE1 TYR 72 3.282 11.391 6.424 1345 HH TYR 72 HH TYR 72 5.062 11.236 9.539 1346 H SER 73 H SER 73 6.815 10.201 2.073 1347 HA SER 73 HA SER 73 7.130 8.108 4.009 1348 HB2 SER 73 HB1 SER 73 5.789 6.779 2.656 1349 HB3 SER 73 HB2 SER 73 5.250 8.424 2.242 1350 HG SER 73 HG SER 73 5.580 7.101 0.386 1351 H VAL 74 H VAL 74 8.859 8.810 0.908 1352 HA VAL 74 HA VAL 74 10.356 6.371 1.033 1353 HB VAL 74 HB VAL 74 11.836 7.196 -0.631 1354 HG11 VAL 74 HG11 VAL 74 10.237 7.572 -2.464 1355 HG12 VAL 74 HG12 VAL 74 9.671 6.325 -1.333 1356 HG13 VAL 74 HG13 VAL 74 8.977 7.963 -1.274 1357 HG21 VAL 74 HG21 VAL 74 11.705 9.415 -1.686 1358 HG22 VAL 74 HG22 VAL 74 10.507 9.906 -0.474 1359 HG23 VAL 74 HG23 VAL 74 12.171 9.514 0.022 1360 H PHE 75 H PHE 75 10.984 9.654 2.359 1361 HA PHE 75 HA PHE 75 13.671 9.140 3.210 1362 HB2 PHE 75 HB1 PHE 75 12.426 11.340 3.031 1363 HB3 PHE 75 HB2 PHE 75 11.556 10.890 4.509 1364 HD1 PHE 75 HD1 PHE 75 13.222 10.238 6.577 1365 HD2 PHE 75 HD2 PHE 75 14.179 12.771 3.229 1366 HE1 PHE 75 HE1 PHE 75 15.050 11.288 7.889 1367 HE2 PHE 75 HE2 PHE 75 15.920 13.889 4.584 1368 HZ PHE 75 HZ PHE 75 16.386 13.143 6.905 1369 H LEU 76 H LEU 76 10.500 8.726 4.874 1370 HA LEU 76 HA LEU 76 11.613 7.725 7.314 1371 HB2 LEU 76 HB1 LEU 76 8.936 7.999 6.030 1372 HB3 LEU 76 HB2 LEU 76 9.078 6.832 7.366 1373 HG LEU 76 HG LEU 76 8.273 9.095 8.034 1374 HD11 LEU 76 HD11 LEU 76 9.714 9.215 10.048 1375 HD12 LEU 76 HD12 LEU 76 9.339 7.532 9.618 1376 HD13 LEU 76 HD13 LEU 76 10.935 8.218 9.226 1377 HD21 LEU 76 HD21 LEU 76 9.870 10.961 8.341 1378 HD22 LEU 76 HD22 LEU 76 11.114 10.022 7.497 1379 HD23 LEU 76 HD23 LEU 76 9.657 10.558 6.627 1380 H THR 77 H THR 77 10.416 6.093 4.375 1381 HA THR 77 HA THR 77 10.750 3.399 5.271 1382 HB THR 77 HB THR 77 10.825 4.611 2.487 1383 HG1 THR 77 HG1 THR 77 8.658 3.861 2.537 1384 HG21 THR 77 HG21 THR 77 10.252 2.334 1.709 1385 HG22 THR 77 HG22 THR 77 11.834 2.357 2.519 1386 HG23 THR 77 HG23 THR 77 10.404 1.730 3.375 1387 H MET 78 H MET 78 12.886 5.510 3.310 1388 HA MET 78 HA MET 78 15.168 3.908 3.145 1389 HB2 MET 78 HB1 MET 78 14.783 5.929 1.862 1390 HB3 MET 78 HB2 MET 78 14.844 6.917 3.342 1391 HG2 MET 78 HG1 MET 78 17.142 6.680 3.563 1392 HG3 MET 78 HG2 MET 78 17.196 5.238 2.534 1393 HE1 MET 78 HE1 MET 78 16.164 9.297 0.500 1394 HE2 MET 78 HE2 MET 78 14.996 8.166 1.214 1395 HE3 MET 78 HE3 MET 78 16.085 9.106 2.264 1396 H LEU 79 H LEU 79 14.265 6.186 5.804 1397 HA LEU 79 HA LEU 79 16.563 5.702 7.379 1398 HB2 LEU 79 HB1 LEU 79 14.084 7.093 7.684 1399 HB3 LEU 79 HB2 LEU 79 14.314 6.056 9.112 1400 HG LEU 79 HG LEU 79 15.272 8.187 9.583 1401 HD11 LEU 79 HD11 LEU 79 17.639 7.661 10.033 1402 HD12 LEU 79 HD12 LEU 79 16.572 6.294 10.428 1403 HD13 LEU 79 HD13 LEU 79 17.535 6.271 8.929 1404 HD21 LEU 79 HD21 LEU 79 16.974 9.253 8.149 1405 HD22 LEU 79 HD22 LEU 79 16.836 7.911 6.991 1406 HD23 LEU 79 HD23 LEU 79 15.449 8.990 7.272 1407 H CYS 80 H CYS 80 13.349 4.052 7.485 1408 HA CYS 80 HA CYS 80 13.960 2.280 9.588 1409 HB2 CYS 80 HB1 CYS 80 11.707 2.824 8.667 1410 HB3 CYS 80 HB2 CYS 80 12.089 1.845 7.228 1411 HG CYS 80 HG CYS 80 10.508 0.500 8.826 1412 H MET 81 H MET 81 14.366 1.726 6.022 1413 HA MET 81 HA MET 81 15.558 -0.853 6.422 1414 HB2 MET 81 HB1 MET 81 16.007 -0.879 4.097 1415 HB3 MET 81 HB2 MET 81 14.385 -0.206 4.385 1416 HG2 MET 81 HG1 MET 81 15.504 2.090 4.186 1417 HG3 MET 81 HG2 MET 81 16.893 1.220 3.513 1418 HE1 MET 81 HE1 MET 81 14.568 -0.689 0.630 1419 HE2 MET 81 HE2 MET 81 16.032 -0.919 1.614 1420 HE3 MET 81 HE3 MET 81 14.424 -1.058 2.365 1421 H ALA 82 H ALA 82 16.935 2.345 6.715 1422 HA ALA 82 HA ALA 82 19.652 1.363 6.630 1423 HB1 ALA 82 HB1 ALA 82 20.256 3.602 7.457 1424 HB2 ALA 82 HB2 ALA 82 19.128 3.685 6.085 1425 HB3 ALA 82 HB3 ALA 82 18.537 3.956 7.743 1426 H TYR 83 H TYR 83 17.366 0.469 8.837 1427 HA TYR 83 HA TYR 83 19.415 -0.361 10.682 1428 HB2 TYR 83 HB1 TYR 83 18.653 0.671 12.690 1429 HB3 TYR 83 HB2 TYR 83 19.024 1.908 11.478 1430 HD1 TYR 83 HD1 TYR 83 16.335 0.285 13.428 1431 HD2 TYR 83 HD2 TYR 83 17.323 3.442 10.683 1432 HE1 TYR 83 HE1 TYR 83 14.153 1.361 13.901 1433 HE2 TYR 83 HE2 TYR 83 15.198 4.595 11.242 1434 HH TYR 83 HH TYR 83 13.301 4.583 12.517 1435 H ASN 84 H ASN 84 17.223 -1.678 9.005 1436 HA ASN 84 HA ASN 84 15.868 -3.145 11.221 1437 HB2 ASN 84 HB1 ASN 84 14.375 -1.472 10.190 1438 HB3 ASN 84 HB2 ASN 84 14.645 -2.215 8.597 1439 HD21 ASN 84 HD21 ASN 84 12.068 -1.950 9.374 1440 HD22 ASN 84 HD22 ASN 84 11.389 -3.503 9.837 1441 H ASP 85 H ASP 85 16.527 -5.142 11.235 1442 HA ASP 85 HA ASP 85 17.727 -6.791 9.352 1443 HB2 ASP 85 HB1 ASP 85 15.944 -7.597 11.694 1444 HB3 ASP 85 HB2 ASP 85 17.220 -8.583 10.948 1445 H PHE 86 H PHE 86 14.510 -5.836 9.013 1446 HA PHE 86 HA PHE 86 13.636 -8.348 7.754 1447 HB2 PHE 86 HB1 PHE 86 12.315 -5.720 8.413 1448 HB3 PHE 86 HB2 PHE 86 11.561 -6.865 7.292 1449 HD1 PHE 86 HD1 PHE 86 13.111 -6.861 10.764 1450 HD2 PHE 86 HD2 PHE 86 10.058 -8.395 8.149 1451 HE1 PHE 86 HE1 PHE 86 12.156 -8.169 12.642 1452 HE2 PHE 86 HE2 PHE 86 9.121 -9.723 10.023 1453 HZ PHE 86 HZ PHE 86 10.164 -9.605 12.279 1454 H PHE 87 H PHE 87 15.222 -5.406 6.830 1455 HA PHE 87 HA PHE 87 14.528 -5.836 3.974 1456 HB2 PHE 87 HB1 PHE 87 14.957 -3.209 5.431 1457 HB3 PHE 87 HB2 PHE 87 14.670 -3.381 3.691 1458 HD1 PHE 87 HD1 PHE 87 12.476 -4.485 2.923 1459 HD2 PHE 87 HD2 PHE 87 13.153 -3.198 6.977 1460 HE1 PHE 87 HE1 PHE 87 10.043 -4.666 3.390 1461 HE2 PHE 87 HE2 PHE 87 10.728 -3.405 7.445 1462 HZ PHE 87 HZ PHE 87 9.163 -4.118 5.645 1463 H LEU 88 H LEU 88 17.032 -6.170 6.037 1464 HA LEU 88 HA LEU 88 19.379 -5.627 4.754 1465 HB2 LEU 88 HB1 LEU 88 20.221 -7.538 5.830 1466 HB3 LEU 88 HB2 LEU 88 18.932 -6.874 6.861 1467 HG LEU 88 HG LEU 88 18.756 -9.131 7.100 1468 HD11 LEU 88 HD11 LEU 88 16.621 -9.877 6.107 1469 HD12 LEU 88 HD12 LEU 88 16.552 -8.188 6.641 1470 HD13 LEU 88 HD13 LEU 88 16.740 -8.572 4.914 1471 HD21 LEU 88 HD21 LEU 88 18.699 -10.874 5.353 1472 HD22 LEU 88 HD22 LEU 88 18.918 -9.620 4.120 1473 HD23 LEU 88 HD23 LEU 88 20.203 -9.936 5.311 1474 H GLU 89 H GLU 89 20.761 -6.812 3.305 1475 HA GLU 89 HA GLU 89 19.409 -7.614 0.837 1476 HB2 GLU 89 HB1 GLU 89 21.433 -6.097 1.010 1477 HB3 GLU 89 HB2 GLU 89 22.376 -7.521 1.513 1478 HG2 GLU 89 HG1 GLU 89 21.742 -8.599 -0.684 1479 HG3 GLU 89 HG2 GLU 89 21.041 -7.041 -1.173 1480 H ASP 90 H ASP 90 21.551 -9.028 3.217 1481 HA ASP 90 HA ASP 90 21.165 -11.440 3.856 1482 HB2 ASP 90 HB1 ASP 90 20.507 -12.279 1.674 1483 HB3 ASP 90 HB2 ASP 90 22.087 -11.831 0.997 1484 H ASN 91 H ASN 91 23.692 -10.357 1.547 1485 HA ASN 91 HA ASN 91 25.864 -10.909 3.401 1486 HB2 ASN 91 HB1 ASN 91 25.991 -11.277 0.966 1487 HB3 ASN 91 HB2 ASN 91 25.746 -9.540 0.687 1488 HD21 ASN 91 HD21 ASN 91 27.910 -11.564 2.757 1489 HD22 ASN 91 HD22 ASN 91 29.385 -10.732 2.298 1490 H LYS 92 H LYS 92 23.820 -8.205 2.786 1491 HA LYS 92 HA LYS 92 25.450 -6.317 4.416 1492 HB2 LYS 92 HB1 LYS 92 23.678 -5.822 1.996 1493 HB3 LYS 92 HB2 LYS 92 24.218 -4.532 3.098 1494 HG2 LYS 92 HG1 LYS 92 25.479 -4.579 1.011 1495 HG3 LYS 92 HG2 LYS 92 26.506 -4.861 2.439 1496 HD2 LYS 92 HD1 LYS 92 26.991 -7.022 1.839 1497 HD3 LYS 92 HD2 LYS 92 25.480 -7.228 0.921 1498 HE2 LYS 92 HE1 LYS 92 27.570 -5.291 -0.055 1499 HE3 LYS 92 HE2 LYS 92 27.771 -7.033 -0.349 1500 HZ1 LYS 92 HZ1 LYS 92 26.591 -5.963 -2.130 1501 HZ2 LYS 92 HZ2 LYS 92 25.604 -7.046 -1.370 1502 HZ3 LYS 92 HZ3 LYS 92 25.417 -5.430 -1.099 Start of MODEL 28 1 HA MET 1 HA MET 1 11.011 0.258 21.106 2 HB2 MET 1 HB1 MET 1 11.234 1.873 18.563 3 HB3 MET 1 HB2 MET 1 12.186 2.209 20.027 4 HG2 MET 1 HG1 MET 1 13.106 -0.094 19.923 5 HG3 MET 1 HG2 MET 1 12.201 -0.371 18.425 6 HE1 MET 1 HE1 MET 1 16.055 2.136 18.979 7 HE2 MET 1 HE2 MET 1 14.636 2.408 20.012 8 HE3 MET 1 HE3 MET 1 15.459 0.830 20.025 9 H GLU 2 H GLU 2 10.145 3.343 19.654 10 HA GLU 2 HA GLU 2 9.646 4.222 22.434 11 HB2 GLU 2 HB1 GLU 2 11.755 4.715 21.156 12 HB3 GLU 2 HB2 GLU 2 10.773 5.662 20.011 13 HG2 GLU 2 HG1 GLU 2 10.179 7.225 21.827 14 HG3 GLU 2 HG2 GLU 2 11.177 6.286 22.958 15 H THR 3 H THR 3 8.868 5.749 19.213 16 HA THR 3 HA THR 3 6.730 7.226 20.599 17 HB THR 3 HB THR 3 6.941 8.695 18.568 18 HG1 THR 3 HG1 THR 3 8.669 8.188 17.174 19 HG21 THR 3 HG21 THR 3 9.188 9.570 19.080 20 HG22 THR 3 HG22 THR 3 8.294 9.170 20.564 21 HG23 THR 3 HG23 THR 3 9.565 8.076 19.970 22 HA PRO 4 HA PRO 4 3.265 5.774 18.244 23 HB2 PRO 4 HB1 PRO 4 2.171 8.103 17.095 24 HB3 PRO 4 HB2 PRO 4 1.858 7.443 18.733 25 HG2 PRO 4 HG1 PRO 4 3.786 9.600 17.930 26 HG3 PRO 4 HG2 PRO 4 2.727 9.530 19.377 27 HD2 PRO 4 HD1 PRO 4 5.368 8.929 19.531 28 HD3 PRO 4 HD2 PRO 4 4.165 7.962 20.437 29 H LEU 5 H LEU 5 5.182 8.128 16.198 30 HA LEU 5 HA LEU 5 4.285 6.859 13.770 31 HB2 LEU 5 HB1 LEU 5 4.966 9.201 13.927 32 HB3 LEU 5 HB2 LEU 5 6.640 8.688 14.247 33 HG LEU 5 HG LEU 5 6.983 7.988 12.040 34 HD11 LEU 5 HD11 LEU 5 5.234 7.832 10.272 35 HD12 LEU 5 HD12 LEU 5 4.889 6.724 11.615 36 HD13 LEU 5 HD13 LEU 5 3.998 8.259 11.472 37 HD21 LEU 5 HD21 LEU 5 6.306 9.952 10.661 38 HD22 LEU 5 HD22 LEU 5 5.089 10.383 11.882 39 HD23 LEU 5 HD23 LEU 5 6.821 10.461 12.283 40 H GLU 6 H GLU 6 7.171 6.243 15.863 41 HA GLU 6 HA GLU 6 8.213 4.165 14.268 42 HB2 GLU 6 HB1 GLU 6 9.354 4.910 16.269 43 HB3 GLU 6 HB2 GLU 6 8.008 4.352 17.289 44 HG2 GLU 6 HG1 GLU 6 9.184 2.330 15.457 45 HG3 GLU 6 HG2 GLU 6 10.243 2.891 16.770 46 H LYS 7 H LYS 7 5.372 4.000 16.578 47 HA LYS 7 HA LYS 7 4.936 1.236 16.123 48 HB2 LYS 7 HB1 LYS 7 2.630 3.135 16.489 49 HB3 LYS 7 HB2 LYS 7 2.752 1.418 16.945 50 HG2 LYS 7 HG1 LYS 7 3.915 3.823 18.300 51 HG3 LYS 7 HG2 LYS 7 2.770 2.616 18.932 52 HD2 LYS 7 HD1 LYS 7 4.520 0.960 19.144 53 HD3 LYS 7 HD2 LYS 7 5.677 1.986 18.261 54 HE2 LYS 7 HE1 LYS 7 4.923 3.820 20.025 55 HE3 LYS 7 HE2 LYS 7 4.429 2.409 20.988 56 HZ1 LYS 7 HZ1 LYS 7 6.651 3.103 21.501 57 HZ2 LYS 7 HZ2 LYS 7 6.666 1.600 20.828 58 HZ3 LYS 7 HZ3 LYS 7 7.124 2.908 19.935 59 H ALA 8 H ALA 8 4.003 4.065 14.128 60 HA ALA 8 HA ALA 8 2.270 2.611 12.386 61 HB1 ALA 8 HB1 ALA 8 2.497 4.560 10.900 62 HB2 ALA 8 HB2 ALA 8 2.217 5.051 12.586 63 HB3 ALA 8 HB3 ALA 8 3.851 5.155 11.887 64 H LEU 9 H LEU 9 5.782 3.446 12.074 65 HA LEU 9 HA LEU 9 6.158 2.006 9.635 66 HB2 LEU 9 HB1 LEU 9 7.901 3.211 11.733 67 HB3 LEU 9 HB2 LEU 9 8.631 1.984 10.669 68 HG LEU 9 HG LEU 9 9.044 4.280 9.911 69 HD11 LEU 9 HD11 LEU 9 8.412 3.990 7.537 70 HD12 LEU 9 HD12 LEU 9 8.997 2.472 8.250 71 HD13 LEU 9 HD13 LEU 9 7.253 2.729 8.007 72 HD21 LEU 9 HD21 LEU 9 7.247 5.677 8.960 73 HD22 LEU 9 HD22 LEU 9 6.047 4.471 9.475 74 HD23 LEU 9 HD23 LEU 9 6.990 5.366 10.690 75 H THR 10 H THR 10 6.639 1.002 13.073 76 HA THR 10 HA THR 10 7.494 -1.641 12.591 77 HB THR 10 HB THR 10 6.009 -0.371 14.902 78 HG1 THR 10 HG1 THR 10 8.162 -0.577 15.714 79 HG21 THR 10 HG21 THR 10 6.694 -2.348 16.234 80 HG22 THR 10 HG22 THR 10 5.564 -2.810 14.942 81 HG23 THR 10 HG23 THR 10 7.306 -3.127 14.758 82 H THR 11 H THR 11 4.131 -0.355 12.813 83 HA THR 11 HA THR 11 2.817 -2.845 12.340 84 HB THR 11 HB THR 11 1.941 -0.018 11.689 85 HG1 THR 11 HG1 THR 11 0.872 -0.280 13.709 86 HG21 THR 11 HG21 THR 11 -0.387 -0.875 11.844 87 HG22 THR 11 HG22 THR 11 0.502 -1.663 10.526 88 HG23 THR 11 HG23 THR 11 0.244 -2.520 12.064 89 H MET 12 H MET 12 3.971 -0.292 10.034 90 HA MET 12 HA MET 12 2.980 -1.527 7.693 91 HB2 MET 12 HB1 MET 12 5.327 0.311 8.176 92 HB3 MET 12 HB2 MET 12 4.970 -0.339 6.558 93 HG2 MET 12 HG1 MET 12 2.730 0.661 6.646 94 HG3 MET 12 HG2 MET 12 3.068 1.296 8.266 95 HE1 MET 12 HE1 MET 12 3.209 3.779 4.781 96 HE2 MET 12 HE2 MET 12 2.857 2.039 4.651 97 HE3 MET 12 HE3 MET 12 1.987 3.037 5.840 98 H VAL 13 H VAL 13 6.219 -1.980 9.280 99 HA VAL 13 HA VAL 13 7.010 -3.953 7.340 100 HB VAL 13 HB VAL 13 8.865 -4.551 8.812 101 HG11 VAL 13 HG11 VAL 13 10.081 -2.398 8.672 102 HG12 VAL 13 HG12 VAL 13 9.111 -2.697 7.215 103 HG13 VAL 13 HG13 VAL 13 8.536 -1.550 8.450 104 HG21 VAL 13 HG21 VAL 13 9.367 -3.271 10.861 105 HG22 VAL 13 HG22 VAL 13 7.802 -2.448 10.718 106 HG23 VAL 13 HG23 VAL 13 7.863 -4.202 11.016 107 H THR 14 H THR 14 5.363 -4.203 10.494 108 HA THR 14 HA THR 14 5.427 -7.028 10.758 109 HB THR 14 HB THR 14 3.339 -5.025 11.673 110 HG1 THR 14 HG1 THR 14 4.533 -5.285 13.627 111 HG21 THR 14 HG21 THR 14 2.726 -6.727 13.379 112 HG22 THR 14 HG22 THR 14 2.430 -7.333 11.735 113 HG23 THR 14 HG23 THR 14 3.867 -7.869 12.638 114 H THR 15 H THR 15 3.064 -4.915 8.997 115 HA THR 15 HA THR 15 1.459 -7.166 8.153 116 HB THR 15 HB THR 15 1.505 -4.421 6.870 117 HG1 THR 15 HG1 THR 15 -0.128 -3.970 8.437 118 HG21 THR 15 HG21 THR 15 -0.897 -4.943 6.483 119 HG22 THR 15 HG22 THR 15 0.147 -6.179 5.747 120 HG23 THR 15 HG23 THR 15 -0.680 -6.514 7.287 121 H PHE 16 H PHE 16 3.978 -5.184 6.491 122 HA PHE 16 HA PHE 16 3.913 -6.464 3.977 123 HB2 PHE 16 HB1 PHE 16 5.073 -4.349 4.513 124 HB3 PHE 16 HB2 PHE 16 6.259 -5.248 5.475 125 HD1 PHE 16 HD2 PHE 16 5.090 -4.487 2.035 126 HD2 PHE 16 HD1 PHE 16 8.090 -6.452 4.414 127 HE1 PHE 16 HE2 PHE 16 6.601 -4.564 0.067 128 HE2 PHE 16 HE1 PHE 16 9.600 -6.525 2.443 129 HZ PHE 16 HZ PHE 16 8.842 -5.630 0.247 130 H HIS 17 H HIS 17 5.710 -7.409 6.953 131 HA HIS 17 HA HIS 17 7.338 -9.392 5.762 132 HB2 HIS 17 HB1 HIS 17 7.687 -8.399 7.981 133 HB3 HIS 17 HB2 HIS 17 6.221 -9.196 8.579 134 HD1 HIS 17 HD1 HIS 17 6.689 -11.462 9.753 135 HD2 HIS 17 HD2 HIS 17 9.639 -10.298 6.993 136 HE1 HIS 17 HE1 HIS 17 8.537 -13.221 9.874 137 HE2 HIS 17 HE2 HIS 17 10.348 -12.535 8.195 138 H LYS 18 H LYS 18 3.908 -9.589 6.758 139 HA LYS 18 HA LYS 18 3.754 -12.454 6.619 140 HB2 LYS 18 HB1 LYS 18 1.623 -10.296 6.506 141 HB3 LYS 18 HB2 LYS 18 1.287 -12.039 6.639 142 HG2 LYS 18 HG1 LYS 18 2.542 -12.129 8.756 143 HG3 LYS 18 HG2 LYS 18 2.914 -10.396 8.618 144 HD2 LYS 18 HD1 LYS 18 1.112 -10.669 10.198 145 HD3 LYS 18 HD2 LYS 18 0.456 -9.920 8.723 146 HE2 LYS 18 HE1 LYS 18 -0.454 -12.055 7.985 147 HE3 LYS 18 HE2 LYS 18 0.318 -12.897 9.346 148 HZ1 LYS 18 HZ1 LYS 18 -2.000 -12.486 9.756 149 HZ2 LYS 18 HZ2 LYS 18 -1.076 -11.643 10.831 150 HZ3 LYS 18 HZ3 LYS 18 -1.793 -10.861 9.568 151 H TYR 19 H TYR 19 4.202 -10.280 4.093 152 HA TYR 19 HA TYR 19 3.171 -12.227 2.096 153 HB2 TYR 19 HB1 TYR 19 3.189 -9.197 2.044 154 HB3 TYR 19 HB2 TYR 19 2.889 -10.193 0.611 155 HD1 TYR 19 HD2 TYR 19 0.878 -11.695 0.526 156 HD2 TYR 19 HD1 TYR 19 1.522 -8.934 3.769 157 HE1 TYR 19 HE2 TYR 19 -1.518 -11.890 1.166 158 HE2 TYR 19 HE1 TYR 19 -0.899 -9.021 4.336 159 HH TYR 19 HH TYR 19 -3.152 -11.226 2.597 160 H SER 20 H SER 20 5.742 -9.779 2.761 161 HA SER 20 HA SER 20 7.380 -10.746 0.549 162 HB2 SER 20 HB1 SER 20 7.492 -8.413 1.189 163 HB3 SER 20 HB2 SER 20 7.892 -8.847 2.868 164 HG SER 20 HG SER 20 9.739 -8.285 1.632 165 H GLY 21 H GLY 21 7.344 -11.238 4.115 166 HA2 GLY 21 HA2 GLY 21 9.401 -12.793 3.500 167 H ARG 22 H ARG 22 7.165 -13.635 2.699 168 HA ARG 22 HA ARG 22 6.641 -16.233 3.722 169 HB2 ARG 22 HB1 ARG 22 6.127 -14.863 1.061 170 HB3 ARG 22 HB2 ARG 22 5.624 -16.540 1.381 171 HG2 ARG 22 HG1 ARG 22 4.224 -15.762 3.261 172 HG3 ARG 22 HG2 ARG 22 4.728 -14.085 2.943 173 HD2 ARG 22 HD1 ARG 22 3.706 -14.148 0.727 174 HD3 ARG 22 HD2 ARG 22 3.321 -15.872 0.914 175 HE ARG 22 HE ARG 22 2.172 -14.209 3.002 176 HH11 ARG 22 HH12 ARG 22 1.612 -15.206 -0.338 177 HH12 ARG 22 HH11 ARG 22 -0.122 -15.088 -0.189 178 HH21 ARG 22 HH22 ARG 22 -0.056 -14.152 3.166 179 HH22 ARG 22 HH21 ARG 22 -1.054 -14.498 1.771 180 H GLU 23 H GLU 23 8.541 -15.097 0.934 181 HA GLU 23 HA GLU 23 10.705 -16.662 0.844 182 HB2 GLU 23 HB1 GLU 23 8.438 -18.399 0.314 183 HB3 GLU 23 HB2 GLU 23 9.558 -18.355 -1.068 184 HG2 GLU 23 HG1 GLU 23 10.172 -19.124 1.809 185 HG3 GLU 23 HG2 GLU 23 10.287 -20.141 0.357 186 H GLY 24 H GLY 24 11.340 -17.207 -1.665 187 HA2 GLY 24 HA2 GLY 24 12.200 -16.311 -2.966 188 H SER 25 H SER 25 11.307 -13.808 -1.150 189 HA SER 25 HA SER 25 14.203 -13.693 -0.742 190 HB2 SER 25 HB1 SER 25 14.483 -11.383 -1.020 191 HB3 SER 25 HB2 SER 25 13.505 -11.870 -2.426 192 HG SER 25 HG SER 25 12.711 -9.972 -1.404 193 H LYS 26 H LYS 26 14.195 -11.642 1.305 194 HA LYS 26 HA LYS 26 11.614 -11.970 2.746 195 HB2 LYS 26 HB1 LYS 26 14.378 -12.343 3.746 196 HB3 LYS 26 HB2 LYS 26 13.314 -11.375 4.794 197 HG2 LYS 26 HG1 LYS 26 12.238 -13.200 5.507 198 HG3 LYS 26 HG2 LYS 26 11.911 -13.723 3.837 199 HD2 LYS 26 HD1 LYS 26 14.582 -14.235 5.136 200 HD3 LYS 26 HD2 LYS 26 13.192 -15.306 5.436 201 HE2 LYS 26 HE1 LYS 26 14.376 -14.704 2.699 202 HE3 LYS 26 HE2 LYS 26 14.721 -16.155 3.666 203 HZ1 LYS 26 HZ1 LYS 26 13.034 -16.563 2.023 204 HZ2 LYS 26 HZ2 LYS 26 12.399 -16.715 3.536 205 HZ3 LYS 26 HZ3 LYS 26 12.078 -15.369 2.638 206 H LEU 27 H LEU 27 13.122 -9.863 0.846 207 HA LEU 27 HA LEU 27 12.537 -7.462 2.499 208 HB2 LEU 27 HB1 LEU 27 14.257 -6.287 1.258 209 HB3 LEU 27 HB2 LEU 27 14.922 -7.777 1.971 210 HG LEU 27 HG LEU 27 13.969 -8.057 -0.815 211 HD11 LEU 27 HD11 LEU 27 15.927 -6.919 -1.818 212 HD12 LEU 27 HD12 LEU 27 14.894 -5.772 -0.936 213 HD13 LEU 27 HD13 LEU 27 16.414 -6.344 -0.206 214 HD21 LEU 27 HD21 LEU 27 16.100 -9.288 -1.073 215 HD22 LEU 27 HD22 LEU 27 16.597 -8.761 0.550 216 HD23 LEU 27 HD23 LEU 27 15.199 -9.845 0.354 217 H THR 28 H THR 28 11.573 -9.120 -0.324 218 HA THR 28 HA THR 28 10.167 -6.788 -1.517 219 HB THR 28 HB THR 28 10.783 -7.695 -3.760 220 HG1 THR 28 HG1 THR 28 12.482 -9.221 -3.794 221 HG21 THR 28 HG21 THR 28 13.107 -6.893 -3.897 222 HG22 THR 28 HG22 THR 28 12.090 -5.803 -2.933 223 HG23 THR 28 HG23 THR 28 13.214 -6.923 -2.125 224 H LEU 29 H LEU 29 8.758 -7.838 -3.482 225 HA LEU 29 HA LEU 29 7.852 -10.538 -3.081 226 HB2 LEU 29 HB1 LEU 29 5.581 -10.149 -2.451 227 HB3 LEU 29 HB2 LEU 29 6.698 -9.519 -1.215 228 HG LEU 29 HG LEU 29 5.072 -7.861 -3.163 229 HD11 LEU 29 HD11 LEU 29 3.807 -7.216 -1.106 230 HD12 LEU 29 HD12 LEU 29 3.738 -8.972 -1.370 231 HD13 LEU 29 HD13 LEU 29 4.837 -8.299 -0.142 232 HD21 LEU 29 HD21 LEU 29 5.735 -5.909 -1.774 233 HD22 LEU 29 HD22 LEU 29 6.768 -6.969 -0.793 234 HD23 LEU 29 HD23 LEU 29 7.153 -6.685 -2.508 235 H SER 30 H SER 30 5.917 -11.026 -4.676 236 HA SER 30 HA SER 30 6.511 -9.717 -7.217 237 HB2 SER 30 HB1 SER 30 4.973 -11.263 -8.177 238 HB3 SER 30 HB2 SER 30 5.833 -12.153 -6.896 239 HG SER 30 HG SER 30 3.553 -12.474 -6.828 240 H ARG 31 H ARG 31 4.806 -8.542 -8.571 241 HA ARG 31 HA ARG 31 3.699 -6.471 -6.954 242 HB2 ARG 31 HB1 ARG 31 2.653 -7.041 -9.698 243 HB3 ARG 31 HB2 ARG 31 2.802 -5.486 -8.844 244 HG2 ARG 31 HG1 ARG 31 5.039 -7.098 -10.030 245 HG3 ARG 31 HG2 ARG 31 4.268 -5.665 -10.750 246 HD2 ARG 31 HD1 ARG 31 5.603 -5.423 -8.096 247 HD3 ARG 31 HD2 ARG 31 6.595 -5.538 -9.566 248 HE ARG 31 HE ARG 31 5.160 -3.258 -8.599 249 HH11 ARG 31 HH12 ARG 31 5.339 -4.683 -11.811 250 HH12 ARG 31 HH11 ARG 31 5.688 -3.154 -12.574 251 HH21 ARG 31 HH22 ARG 31 5.972 -1.407 -9.565 252 HH22 ARG 31 HH21 ARG 31 6.043 -1.325 -11.313 253 H LYS 32 H LYS 32 2.155 -9.480 -8.223 254 HA LYS 32 HA LYS 32 -0.511 -8.598 -7.578 255 HB2 LYS 32 HB1 LYS 32 0.489 -11.444 -7.894 256 HB3 LYS 32 HB2 LYS 32 -1.214 -10.925 -7.855 257 HG2 LYS 32 HG1 LYS 32 -0.527 -9.367 -9.828 258 HG3 LYS 32 HG2 LYS 32 0.883 -10.445 -9.971 259 HD2 LYS 32 HD1 LYS 32 -0.754 -12.384 -10.198 260 HD3 LYS 32 HD2 LYS 32 -2.052 -11.173 -10.322 261 HE2 LYS 32 HE1 LYS 32 -0.464 -10.067 -12.111 262 HE3 LYS 32 HE2 LYS 32 0.278 -11.679 -12.180 263 HZ1 LYS 32 HZ1 LYS 32 -1.384 -11.392 -13.864 264 HZ2 LYS 32 HZ2 LYS 32 -1.845 -12.560 -12.798 265 HZ3 LYS 32 HZ3 LYS 32 -2.533 -11.063 -12.733 266 H GLU 33 H GLU 33 2.032 -10.148 -5.708 267 HA GLU 33 HA GLU 33 0.511 -10.840 -3.404 268 HB2 GLU 33 HB1 GLU 33 2.948 -11.424 -4.162 269 HB3 GLU 33 HB2 GLU 33 3.381 -9.921 -3.311 270 HG2 GLU 33 HG1 GLU 33 3.659 -11.510 -1.648 271 HG3 GLU 33 HG2 GLU 33 2.002 -10.947 -1.342 272 H LEU 34 H LEU 34 2.418 -7.789 -4.130 273 HA LEU 34 HA LEU 34 1.561 -6.358 -1.844 274 HB2 LEU 34 HB1 LEU 34 3.325 -5.476 -3.169 275 HB3 LEU 34 HB2 LEU 34 2.314 -5.462 -4.634 276 HG LEU 34 HG LEU 34 0.945 -3.657 -3.679 277 HD11 LEU 34 HD11 LEU 34 1.645 -2.478 -1.617 278 HD12 LEU 34 HD12 LEU 34 1.227 -4.173 -1.284 279 HD13 LEU 34 HD13 LEU 34 2.934 -3.677 -1.377 280 HD21 LEU 34 HD21 LEU 34 2.611 -1.823 -3.785 281 HD22 LEU 34 HD22 LEU 34 3.920 -3.009 -3.582 282 HD23 LEU 34 HD23 LEU 34 2.906 -3.039 -5.046 283 H LYS 35 H LYS 35 -0.003 -6.595 -5.073 284 HA LYS 35 HA LYS 35 -2.071 -4.725 -4.660 285 HB2 LYS 35 HB1 LYS 35 -1.303 -5.813 -6.787 286 HB3 LYS 35 HB2 LYS 35 -2.114 -7.309 -6.264 287 HG2 LYS 35 HG1 LYS 35 -4.240 -5.787 -6.074 288 HG3 LYS 35 HG2 LYS 35 -3.330 -4.685 -7.134 289 HD2 LYS 35 HD1 LYS 35 -4.545 -6.058 -8.631 290 HD3 LYS 35 HD2 LYS 35 -2.909 -6.758 -8.619 291 HE2 LYS 35 HE1 LYS 35 -3.610 -8.516 -7.088 292 HE3 LYS 35 HE2 LYS 35 -5.209 -7.765 -6.892 293 HZ1 LYS 35 HZ1 LYS 35 -5.264 -9.583 -8.439 294 HZ2 LYS 35 HZ2 LYS 35 -5.613 -8.172 -9.216 295 HZ3 LYS 35 HZ3 LYS 35 -4.128 -8.868 -9.398 296 H GLU 36 H GLU 36 -2.023 -8.240 -3.956 297 HA GLU 36 HA GLU 36 -4.697 -8.338 -2.872 298 HB2 GLU 36 HB1 GLU 36 -3.540 -10.227 -3.940 299 HB3 GLU 36 HB2 GLU 36 -2.332 -10.223 -2.634 300 HG2 GLU 36 HG1 GLU 36 -3.850 -12.015 -2.236 301 HG3 GLU 36 HG2 GLU 36 -4.156 -10.754 -1.022 302 H LEU 37 H LEU 37 -1.450 -7.886 -1.400 303 HA LEU 37 HA LEU 37 -2.030 -8.310 1.295 304 HB2 LEU 37 HB1 LEU 37 0.174 -8.037 1.011 305 HB3 LEU 37 HB2 LEU 37 -0.029 -6.868 -0.316 306 HG LEU 37 HG LEU 37 -0.322 -5.067 1.310 307 HD11 LEU 37 HD11 LEU 37 0.263 -5.343 3.697 308 HD12 LEU 37 HD12 LEU 37 -1.187 -6.272 3.269 309 HD13 LEU 37 HD13 LEU 37 0.379 -7.097 3.456 310 HD21 LEU 37 HD21 LEU 37 2.049 -5.007 2.054 311 HD22 LEU 37 HD22 LEU 37 2.183 -6.755 1.758 312 HD23 LEU 37 HD23 LEU 37 1.912 -5.638 0.398 313 H ILE 38 H ILE 38 -2.277 -5.209 -0.485 314 HA ILE 38 HA ILE 38 -3.298 -3.658 1.665 315 HB ILE 38 HB ILE 38 -3.502 -3.285 -1.346 316 HG12 ILE 38 HG13 ILE 38 -1.584 -2.132 0.725 317 HG13 ILE 38 HG12 ILE 38 -1.205 -3.447 -0.413 318 HG21 ILE 38 HG21 ILE 38 -3.934 -0.890 -0.853 319 HG22 ILE 38 HG22 ILE 38 -5.216 -1.926 -0.186 320 HG23 ILE 38 HG23 ILE 38 -3.965 -1.256 0.887 321 HD11 ILE 38 HD11 ILE 38 -0.257 -1.297 -1.186 322 HD12 ILE 38 HD12 ILE 38 -1.499 -1.897 -2.304 323 HD13 ILE 38 HD13 ILE 38 -1.882 -0.582 -1.167 324 H LYS 39 H LYS 39 -4.975 -5.758 -0.684 325 HA LYS 39 HA LYS 39 -7.596 -4.875 0.186 326 HB2 LYS 39 HB1 LYS 39 -6.457 -6.839 -1.764 327 HB3 LYS 39 HB2 LYS 39 -8.156 -7.021 -1.263 328 HG2 LYS 39 HG1 LYS 39 -6.890 -4.594 -2.558 329 HG3 LYS 39 HG2 LYS 39 -7.996 -5.757 -3.327 330 HD2 LYS 39 HD1 LYS 39 -8.626 -3.699 -1.203 331 HD3 LYS 39 HD2 LYS 39 -9.231 -3.778 -2.876 332 HE2 LYS 39 HE1 LYS 39 -11.084 -4.588 -1.840 333 HE3 LYS 39 HE2 LYS 39 -10.196 -6.123 -1.966 334 HZ1 LYS 39 HZ1 LYS 39 -11.069 -5.781 0.233 335 HZ2 LYS 39 HZ2 LYS 39 -9.422 -5.785 0.273 336 HZ3 LYS 39 HZ3 LYS 39 -10.245 -4.362 0.391 337 H LYS 40 H LYS 40 -5.382 -7.107 1.578 338 HA LYS 40 HA LYS 40 -7.540 -8.560 2.994 339 HB2 LYS 40 HB1 LYS 40 -4.716 -9.033 2.240 340 HB3 LYS 40 HB2 LYS 40 -5.145 -9.574 3.881 341 HG2 LYS 40 HG1 LYS 40 -5.384 -11.344 2.189 342 HG3 LYS 40 HG2 LYS 40 -6.911 -10.959 3.019 343 HD2 LYS 40 HD1 LYS 40 -7.733 -9.768 1.083 344 HD3 LYS 40 HD2 LYS 40 -6.160 -9.919 0.265 345 HE2 LYS 40 HE1 LYS 40 -6.365 -12.340 0.191 346 HE3 LYS 40 HE2 LYS 40 -7.832 -12.292 1.192 347 HZ1 LYS 40 HZ1 LYS 40 -8.347 -12.569 -1.125 348 HZ2 LYS 40 HZ2 LYS 40 -8.929 -11.124 -0.584 349 HZ3 LYS 40 HZ3 LYS 40 -7.567 -11.169 -1.514 350 H GLU 41 H GLU 41 -4.861 -6.264 3.590 351 HA GLU 41 HA GLU 41 -5.449 -6.202 6.450 352 HB2 GLU 41 HB1 GLU 41 -3.714 -4.549 6.594 353 HB3 GLU 41 HB2 GLU 41 -3.176 -5.934 5.614 354 HG2 GLU 41 HG1 GLU 41 -2.360 -4.247 4.328 355 HG3 GLU 41 HG2 GLU 41 -3.985 -4.376 3.620 356 H LEU 42 H LEU 42 -6.403 -4.321 3.605 357 HA LEU 42 HA LEU 42 -8.306 -2.838 5.318 358 HB2 LEU 42 HB1 LEU 42 -6.151 -1.786 3.645 359 HB3 LEU 42 HB2 LEU 42 -7.740 -1.142 3.162 360 HG LEU 42 HG LEU 42 -6.797 -1.150 6.044 361 HD11 LEU 42 HD11 LEU 42 -6.138 1.224 5.738 362 HD12 LEU 42 HD12 LEU 42 -5.165 0.147 4.710 363 HD13 LEU 42 HD13 LEU 42 -6.495 1.093 4.001 364 HD21 LEU 42 HD21 LEU 42 -8.491 0.652 6.284 365 HD22 LEU 42 HD22 LEU 42 -8.875 0.516 4.553 366 HD23 LEU 42 HD23 LEU 42 -9.225 -0.840 5.653 367 H CYS 43 H CYS 43 -10.142 -2.035 4.284 368 HA CYS 43 HA CYS 43 -11.244 -3.807 2.274 369 HB2 CYS 43 HB1 CYS 43 -12.449 -2.960 4.325 370 HB3 CYS 43 HB2 CYS 43 -12.596 -1.399 3.482 371 HG CYS 43 HG CYS 43 -14.811 -2.769 3.211 372 H LEU 44 H LEU 44 -11.250 -0.254 2.272 373 HA LEU 44 HA LEU 44 -10.719 1.274 0.801 374 HB2 LEU 44 HB1 LEU 44 -8.591 -0.748 0.410 375 HB3 LEU 44 HB2 LEU 44 -8.658 0.632 -0.712 376 HG LEU 44 HG LEU 44 -8.605 0.853 2.326 377 HD11 LEU 44 HD11 LEU 44 -6.245 1.488 1.895 378 HD12 LEU 44 HD12 LEU 44 -6.586 -0.149 1.276 379 HD13 LEU 44 HD13 LEU 44 -6.493 1.226 0.149 380 HD21 LEU 44 HD21 LEU 44 -8.002 3.234 1.960 381 HD22 LEU 44 HD22 LEU 44 -8.204 3.010 0.211 382 HD23 LEU 44 HD23 LEU 44 -9.609 2.870 1.296 383 H GLY 45 H GLY 45 -12.588 -0.914 -0.120 384 HA2 GLY 45 HA2 GLY 45 -12.734 0.444 -2.381 385 H GLU 46 H GLU 46 -13.877 0.971 -0.006 386 HA GLU 46 HA GLU 46 -16.584 1.748 -0.812 387 HB2 GLU 46 HB1 GLU 46 -16.981 2.000 1.573 388 HB3 GLU 46 HB2 GLU 46 -16.288 0.405 1.194 389 HG2 GLU 46 HG1 GLU 46 -14.750 2.746 2.360 390 HG3 GLU 46 HG2 GLU 46 -15.419 1.391 3.295 391 H MET 47 H MET 47 -14.043 3.319 -1.599 392 HA MET 47 HA MET 47 -15.002 6.012 -0.967 393 HB2 MET 47 HB1 MET 47 -12.333 4.961 0.022 394 HB3 MET 47 HB2 MET 47 -12.701 6.694 -0.149 395 HG2 MET 47 HG1 MET 47 -14.500 6.478 1.502 396 HG3 MET 47 HG2 MET 47 -14.150 4.749 1.667 397 HE1 MET 47 HE1 MET 47 -10.743 4.560 3.349 398 HE2 MET 47 HE2 MET 47 -12.239 3.711 2.881 399 HE3 MET 47 HE3 MET 47 -11.174 4.389 1.626 400 H LYS 48 H LYS 48 -12.931 7.503 -1.835 401 HA LYS 48 HA LYS 48 -11.373 8.159 -3.128 402 HB2 LYS 48 HB1 LYS 48 -10.689 5.466 -4.171 403 HB3 LYS 48 HB2 LYS 48 -9.655 6.885 -3.876 404 HG2 LYS 48 HG1 LYS 48 -8.974 5.725 -2.086 405 HG3 LYS 48 HG2 LYS 48 -10.483 6.311 -1.346 406 HD2 LYS 48 HD1 LYS 48 -10.346 3.948 -0.963 407 HD3 LYS 48 HD2 LYS 48 -11.611 4.229 -2.183 408 HE2 LYS 48 HE1 LYS 48 -10.506 2.576 -3.302 409 HE3 LYS 48 HE2 LYS 48 -9.453 3.916 -3.803 410 HZ1 LYS 48 HZ1 LYS 48 -8.206 2.083 -2.932 411 HZ2 LYS 48 HZ2 LYS 48 -8.029 3.402 -1.957 412 HZ3 LYS 48 HZ3 LYS 48 -9.008 2.159 -1.491 413 H GLU 49 H GLU 49 -10.521 8.651 -5.273 414 HA GLU 49 HA GLU 49 -12.574 8.590 -7.320 415 HB2 GLU 49 HB1 GLU 49 -11.074 9.938 -8.648 416 HB3 GLU 49 HB2 GLU 49 -11.360 10.598 -7.021 417 HG2 GLU 49 HG1 GLU 49 -9.081 10.986 -7.506 418 HG3 GLU 49 HG2 GLU 49 -9.116 9.628 -6.360 419 H SER 50 H SER 50 -10.500 8.208 -9.596 420 HA SER 50 HA SER 50 -10.941 5.268 -9.572 421 HB2 SER 50 HB1 SER 50 -11.296 7.173 -11.916 422 HB3 SER 50 HB2 SER 50 -11.668 5.433 -11.891 423 HG SER 50 HG SER 50 -13.530 6.744 -11.547 424 H SER 51 H SER 51 -8.428 7.599 -10.068 425 HA SER 51 HA SER 51 -6.779 6.280 -11.958 426 HB2 SER 51 HB1 SER 51 -6.537 8.581 -10.916 427 HB3 SER 51 HB2 SER 51 -5.921 7.777 -9.453 428 HG SER 51 HG SER 51 -4.244 8.517 -10.834 429 H ILE 52 H ILE 52 -7.355 5.548 -8.487 430 HA ILE 52 HA ILE 52 -5.425 3.582 -8.113 431 HB ILE 52 HB ILE 52 -6.656 4.094 -6.220 432 HG12 ILE 52 HG13 ILE 52 -7.632 1.361 -7.095 433 HG13 ILE 52 HG12 ILE 52 -6.007 1.722 -6.470 434 HG21 ILE 52 HG21 ILE 52 -9.091 3.834 -5.938 435 HG22 ILE 52 HG22 ILE 52 -8.700 4.961 -7.255 436 HG23 ILE 52 HG23 ILE 52 -9.227 3.302 -7.628 437 HD11 ILE 52 HD11 ILE 52 -7.381 0.580 -4.776 438 HD12 ILE 52 HD12 ILE 52 -6.959 2.227 -4.284 439 HD13 ILE 52 HD13 ILE 52 -8.587 1.870 -4.909 440 H ASP 53 H ASP 53 -8.309 3.269 -10.215 441 HA ASP 53 HA ASP 53 -8.208 0.428 -10.369 442 HB2 ASP 53 HB1 ASP 53 -10.109 1.880 -11.126 443 HB3 ASP 53 HB2 ASP 53 -9.135 2.322 -12.547 444 H ASP 54 H ASP 54 -6.576 2.950 -12.485 445 HA ASP 54 HA ASP 54 -5.077 0.918 -13.809 446 HB2 ASP 54 HB1 ASP 54 -5.209 3.243 -14.725 447 HB3 ASP 54 HB2 ASP 54 -4.092 3.760 -13.442 448 H LEU 55 H LEU 55 -4.362 2.712 -10.700 449 HA LEU 55 HA LEU 55 -1.688 1.825 -10.503 450 HB2 LEU 55 HB1 LEU 55 -3.681 2.303 -8.272 451 HB3 LEU 55 HB2 LEU 55 -1.920 2.135 -8.067 452 HG LEU 55 HG LEU 55 -3.361 4.344 -9.561 453 HD11 LEU 55 HD11 LEU 55 -2.544 5.772 -7.705 454 HD12 LEU 55 HD12 LEU 55 -3.587 4.461 -7.102 455 HD13 LEU 55 HD13 LEU 55 -1.819 4.344 -6.930 456 HD21 LEU 55 HD21 LEU 55 -1.148 5.439 -9.747 457 HD22 LEU 55 HD22 LEU 55 -0.389 4.016 -8.999 458 HD23 LEU 55 HD23 LEU 55 -1.172 3.875 -10.591 459 H MET 56 H MET 56 -4.666 0.195 -9.300 460 HA MET 56 HA MET 56 -3.407 -2.149 -8.317 461 HB2 MET 56 HB1 MET 56 -6.209 -1.645 -9.384 462 HB3 MET 56 HB2 MET 56 -5.711 -3.136 -8.547 463 HG2 MET 56 HG1 MET 56 -5.565 -0.336 -7.384 464 HG3 MET 56 HG2 MET 56 -6.861 -1.502 -7.067 465 HE1 MET 56 HE1 MET 56 -5.579 -3.903 -4.539 466 HE2 MET 56 HE2 MET 56 -6.956 -2.942 -5.129 467 HE3 MET 56 HE3 MET 56 -6.125 -4.072 -6.224 468 H LYS 57 H LYS 57 -4.665 -1.434 -11.632 469 HA LYS 57 HA LYS 57 -3.952 -4.079 -12.598 470 HB2 LYS 57 HB1 LYS 57 -5.119 -1.603 -13.755 471 HB3 LYS 57 HB2 LYS 57 -4.172 -2.608 -14.878 472 HG2 LYS 57 HG1 LYS 57 -6.475 -3.302 -15.016 473 HG3 LYS 57 HG2 LYS 57 -5.560 -4.582 -14.181 474 HD2 LYS 57 HD1 LYS 57 -7.527 -4.393 -12.920 475 HD3 LYS 57 HD2 LYS 57 -6.348 -3.430 -11.998 476 HE2 LYS 57 HE1 LYS 57 -8.112 -1.972 -12.020 477 HE3 LYS 57 HE2 LYS 57 -7.270 -1.465 -13.499 478 HZ1 LYS 57 HZ1 LYS 57 -9.622 -1.630 -13.830 479 HZ2 LYS 57 HZ2 LYS 57 -8.834 -2.741 -14.753 480 HZ3 LYS 57 HZ3 LYS 57 -9.617 -3.212 -13.380 481 H SER 58 H SER 58 -2.243 -1.106 -12.183 482 HA SER 58 HA SER 58 -0.092 -1.656 -14.013 483 HB2 SER 58 HB1 SER 58 -0.702 0.594 -12.159 484 HB3 SER 58 HB2 SER 58 0.976 0.361 -12.707 485 HG SER 58 HG SER 58 -0.272 1.629 -14.179 486 H LEU 59 H LEU 59 -0.639 -2.391 -10.614 487 HA LEU 59 HA LEU 59 1.955 -3.619 -10.271 488 HB2 LEU 59 HB1 LEU 59 -0.781 -4.080 -9.030 489 HB3 LEU 59 HB2 LEU 59 0.703 -4.908 -8.499 490 HG LEU 59 HG LEU 59 0.160 -1.919 -8.397 491 HD11 LEU 59 HD11 LEU 59 0.177 -2.267 -5.944 492 HD12 LEU 59 HD12 LEU 59 -1.084 -3.248 -6.727 493 HD13 LEU 59 HD13 LEU 59 0.435 -4.010 -6.195 494 HD21 LEU 59 HD21 LEU 59 2.297 -1.717 -7.167 495 HD22 LEU 59 HD22 LEU 59 2.604 -3.448 -7.424 496 HD23 LEU 59 HD23 LEU 59 2.551 -2.337 -8.813 497 H ASP 60 H ASP 60 -1.264 -4.868 -11.298 498 HA ASP 60 HA ASP 60 -0.443 -7.516 -11.822 499 HB2 ASP 60 HB1 ASP 60 -2.799 -6.058 -11.785 500 HB3 ASP 60 HB2 ASP 60 -2.658 -6.557 -13.485 501 H LYS 61 H LYS 61 0.035 -4.681 -13.753 502 HA LYS 61 HA LYS 61 0.085 -5.587 -16.414 503 HB2 LYS 61 HB1 LYS 61 0.271 -3.242 -15.016 504 HB3 LYS 61 HB2 LYS 61 1.957 -3.434 -15.556 505 HG2 LYS 61 HG1 LYS 61 1.070 -2.007 -17.112 506 HG3 LYS 61 HG2 LYS 61 0.966 -3.590 -17.919 507 HD2 LYS 61 HD1 LYS 61 -1.003 -2.333 -18.405 508 HD3 LYS 61 HD2 LYS 61 -1.426 -3.702 -17.350 509 HE2 LYS 61 HE1 LYS 61 -2.777 -1.935 -16.643 510 HE3 LYS 61 HE2 LYS 61 -1.479 -2.044 -15.435 511 HZ1 LYS 61 HZ1 LYS 61 -1.998 0.228 -15.982 512 HZ2 LYS 61 HZ2 LYS 61 -0.465 -0.137 -16.448 513 HZ3 LYS 61 HZ3 LYS 61 -1.669 -0.037 -17.570 514 H ASN 62 H ASN 62 2.600 -5.723 -13.950 515 HA ASN 62 HA ASN 62 4.468 -7.214 -15.679 516 HB2 ASN 62 HB1 ASN 62 4.962 -4.468 -14.513 517 HB3 ASN 62 HB2 ASN 62 6.300 -5.634 -14.602 518 HD21 ASN 62 HD21 ASN 62 6.680 -6.657 -16.762 519 HD22 ASN 62 HD22 ASN 62 6.447 -5.660 -18.185 520 H SER 63 H SER 63 3.810 -8.959 -14.164 521 HA SER 63 HA SER 63 3.519 -8.111 -11.363 522 HB2 SER 63 HB1 SER 63 2.562 -10.393 -13.092 523 HB3 SER 63 HB2 SER 63 2.493 -10.542 -11.319 524 HG SER 63 HG SER 63 0.610 -9.573 -12.206 525 H ASP 64 H ASP 64 5.834 -9.828 -13.168 526 HA ASP 64 HA ASP 64 6.074 -12.094 -11.254 527 HB2 ASP 64 HB1 ASP 64 6.880 -11.964 -14.183 528 HB3 ASP 64 HB2 ASP 64 6.610 -13.406 -13.181 529 H GLN 65 H GLN 65 7.193 -9.478 -11.045 530 HA GLN 65 HA GLN 65 10.129 -9.863 -11.065 531 HB2 GLN 65 HB1 GLN 65 9.562 -7.123 -11.146 532 HB3 GLN 65 HB2 GLN 65 10.250 -8.117 -12.453 533 HG2 GLN 65 HG1 GLN 65 7.283 -7.735 -12.174 534 HG3 GLN 65 HG2 GLN 65 8.306 -6.508 -12.951 535 HE21 GLN 65 HE12 GLN 65 9.113 -9.936 -13.512 536 HE22 GLN 65 HE22 GLN 65 8.496 -9.970 -15.145 537 H GLU 66 H GLU 66 11.159 -8.557 -9.329 538 HA GLU 66 HA GLU 66 9.515 -8.612 -6.928 539 HB2 GLU 66 HB1 GLU 66 12.418 -7.854 -7.356 540 HB3 GLU 66 HB2 GLU 66 11.610 -7.926 -5.772 541 HG2 GLU 66 HG1 GLU 66 11.212 -10.319 -6.041 542 HG3 GLU 66 HG2 GLU 66 11.884 -10.278 -7.685 543 H ILE 67 H ILE 67 8.733 -6.970 -5.769 544 HA ILE 67 HA ILE 67 9.586 -4.199 -6.410 545 HB ILE 67 HB ILE 67 7.521 -3.843 -4.667 546 HG12 ILE 67 HG13 ILE 67 6.616 -6.140 -6.408 547 HG13 ILE 67 HG12 ILE 67 6.984 -6.263 -4.669 548 HG21 ILE 67 HG21 ILE 67 6.280 -3.126 -6.649 549 HG22 ILE 67 HG22 ILE 67 7.997 -2.661 -6.744 550 HG23 ILE 67 HG23 ILE 67 7.398 -4.048 -7.687 551 HD11 ILE 67 HD11 ILE 67 4.560 -6.052 -5.053 552 HD12 ILE 67 HD12 ILE 67 5.203 -4.648 -4.177 553 HD13 ILE 67 HD13 ILE 67 4.835 -4.524 -5.914 554 H ASP 68 H ASP 68 10.659 -3.085 -4.976 555 HA ASP 68 HA ASP 68 11.391 -3.984 -2.332 556 HB2 ASP 68 HB1 ASP 68 12.668 -2.497 -3.914 557 HB3 ASP 68 HB2 ASP 68 11.450 -1.233 -3.633 558 H PHE 69 H PHE 69 10.655 -3.236 -0.344 559 HA PHE 69 HA PHE 69 8.103 -2.596 0.377 560 HB2 PHE 69 HB1 PHE 69 10.066 -3.168 1.798 561 HB3 PHE 69 HB2 PHE 69 10.702 -1.532 1.551 562 HD1 PHE 69 HD2 PHE 69 9.240 0.445 2.420 563 HD2 PHE 69 HD1 PHE 69 8.700 -3.638 3.639 564 HE1 PHE 69 HE2 PHE 69 8.117 1.226 4.488 565 HE2 PHE 69 HE1 PHE 69 7.496 -2.866 5.662 566 HZ PHE 69 HZ PHE 69 7.258 -0.437 6.130 567 H LYS 70 H LYS 70 10.326 -0.338 -1.171 568 HA LYS 70 HA LYS 70 9.157 2.144 -0.414 569 HB2 LYS 70 HB1 LYS 70 10.837 1.086 -2.706 570 HB3 LYS 70 HB2 LYS 70 10.306 2.785 -2.665 571 HG2 LYS 70 HG1 LYS 70 11.621 3.302 -0.838 572 HG3 LYS 70 HG2 LYS 70 11.579 1.639 -0.202 573 HD2 LYS 70 HD1 LYS 70 13.002 1.182 -2.461 574 HD3 LYS 70 HD2 LYS 70 13.455 2.880 -2.185 575 HE2 LYS 70 HE1 LYS 70 14.405 2.436 -0.103 576 HE3 LYS 70 HE2 LYS 70 13.386 1.005 0.169 577 HZ1 LYS 70 HZ1 LYS 70 15.669 0.414 -0.199 578 HZ2 LYS 70 HZ2 LYS 70 14.726 -0.171 -1.416 579 HZ3 LYS 70 HZ3 LYS 70 15.671 1.156 -1.670 580 H GLU 71 H GLU 71 8.576 -0.026 -3.249 581 HA GLU 71 HA GLU 71 6.581 1.638 -4.422 582 HB2 GLU 71 HB1 GLU 71 7.146 -1.325 -4.628 583 HB3 GLU 71 HB2 GLU 71 5.797 -0.549 -5.491 584 HG2 GLU 71 HG1 GLU 71 8.164 1.037 -5.895 585 HG3 GLU 71 HG2 GLU 71 8.564 -0.660 -6.240 586 H TYR 72 H TYR 72 6.457 -0.838 -1.861 587 HA TYR 72 HA TYR 72 3.606 -0.797 -1.562 588 HB2 TYR 72 HB1 TYR 72 4.609 -2.642 -0.691 589 HB3 TYR 72 HB2 TYR 72 5.975 -1.732 -0.024 590 HD1 TYR 72 HD1 TYR 72 2.262 -2.183 0.529 591 HD2 TYR 72 HD2 TYR 72 6.122 -1.391 2.265 592 HE1 TYR 72 HE1 TYR 72 1.326 -2.593 2.789 593 HE2 TYR 72 HE2 TYR 72 5.189 -1.792 4.531 594 HH TYR 72 HH TYR 72 3.354 -2.477 5.740 595 H SER 73 H SER 73 6.152 1.122 0.164 596 HA SER 73 HA SER 73 4.233 2.550 1.738 597 HB2 SER 73 HB1 SER 73 6.058 3.958 2.445 598 HB3 SER 73 HB2 SER 73 6.553 2.249 2.450 599 HG SER 73 HG SER 73 8.152 3.636 1.583 600 H VAL 74 H VAL 74 5.817 3.464 -1.422 601 HA VAL 74 HA VAL 74 4.418 5.965 -1.420 602 HB VAL 74 HB VAL 74 4.923 6.275 -3.703 603 HG11 VAL 74 HG11 VAL 74 7.374 6.210 -3.625 604 HG12 VAL 74 HG12 VAL 74 6.670 6.725 -2.079 605 HG13 VAL 74 HG13 VAL 74 7.294 5.069 -2.265 606 HG21 VAL 74 HG21 VAL 74 6.076 4.670 -5.147 607 HG22 VAL 74 HG22 VAL 74 5.940 3.442 -3.873 608 HG23 VAL 74 HG23 VAL 74 4.474 4.095 -4.644 609 H PHE 75 H PHE 75 3.451 2.701 -2.644 610 HA PHE 75 HA PHE 75 1.274 3.661 -4.226 611 HB2 PHE 75 HB1 PHE 75 2.352 1.400 -4.341 612 HB3 PHE 75 HB2 PHE 75 1.537 0.985 -2.824 613 HD1 PHE 75 HD2 PHE 75 -1.065 0.977 -2.812 614 HD2 PHE 75 HD1 PHE 75 1.326 1.091 -6.391 615 HE1 PHE 75 HE2 PHE 75 -3.019 0.200 -4.145 616 HE2 PHE 75 HE1 PHE 75 -0.594 0.245 -7.699 617 HZ PHE 75 HZ PHE 75 -2.796 -0.120 -6.605 618 H LEU 76 H LEU 76 1.349 2.363 -0.883 619 HA LEU 76 HA LEU 76 -1.284 2.871 -0.081 620 HB2 LEU 76 HB1 LEU 76 1.386 2.924 1.346 621 HB3 LEU 76 HB2 LEU 76 -0.141 3.220 2.211 622 HG LEU 76 HG LEU 76 0.480 0.686 0.652 623 HD11 LEU 76 HD11 LEU 76 0.837 -0.332 2.890 624 HD12 LEU 76 HD12 LEU 76 2.002 0.982 2.591 625 HD13 LEU 76 HD13 LEU 76 0.598 1.260 3.650 626 HD21 LEU 76 HD21 LEU 76 -1.452 -0.235 1.907 627 HD22 LEU 76 HD22 LEU 76 -1.706 1.349 2.675 628 HD23 LEU 76 HD23 LEU 76 -1.937 1.162 0.920 629 H THR 77 H THR 77 1.522 5.106 -0.161 630 HA THR 77 HA THR 77 0.138 7.282 1.105 631 HB THR 77 HB THR 77 2.728 7.247 -0.477 632 HG1 THR 77 HG1 THR 77 3.603 7.212 1.654 633 HG21 THR 77 HG21 THR 77 3.175 9.333 0.803 634 HG22 THR 77 HG22 THR 77 1.720 9.510 -0.203 635 HG23 THR 77 HG23 THR 77 1.562 9.221 1.546 636 H MET 78 H MET 78 0.858 6.591 -2.371 637 HA MET 78 HA MET 78 -0.239 8.936 -3.486 638 HB2 MET 78 HB1 MET 78 -0.251 6.079 -4.542 639 HB3 MET 78 HB2 MET 78 -0.638 7.520 -5.511 640 HG2 MET 78 HG1 MET 78 1.818 8.087 -4.280 641 HG3 MET 78 HG2 MET 78 1.939 6.395 -4.792 642 HE1 MET 78 HE1 MET 78 1.591 6.455 -8.590 643 HE2 MET 78 HE2 MET 78 2.073 5.533 -7.144 644 HE3 MET 78 HE3 MET 78 0.381 6.049 -7.347 645 H LEU 79 H LEU 79 -1.834 5.943 -2.363 646 HA LEU 79 HA LEU 79 -4.389 6.566 -3.402 647 HB2 LEU 79 HB1 LEU 79 -3.268 4.528 -1.759 648 HB3 LEU 79 HB2 LEU 79 -4.733 5.144 -0.956 649 HG LEU 79 HG LEU 79 -5.463 3.365 -2.287 650 HD11 LEU 79 HD11 LEU 79 -6.902 4.316 -4.055 651 HD12 LEU 79 HD12 LEU 79 -6.925 5.307 -2.583 652 HD13 LEU 79 HD13 LEU 79 -5.968 5.825 -3.991 653 HD21 LEU 79 HD21 LEU 79 -4.831 3.022 -4.654 654 HD22 LEU 79 HD22 LEU 79 -3.827 4.489 -4.593 655 HD23 LEU 79 HD23 LEU 79 -3.403 3.077 -3.597 656 H CYS 80 H CYS 80 -2.847 7.738 -0.377 657 HA CYS 80 HA CYS 80 -5.117 8.803 0.885 658 HB2 CYS 80 HB1 CYS 80 -2.822 8.699 1.833 659 HB3 CYS 80 HB2 CYS 80 -2.325 10.006 0.728 660 HG CYS 80 HG CYS 80 -2.666 10.967 3.145 661 H MET 81 H MET 81 -3.091 10.350 -1.683 662 HA MET 81 HA MET 81 -4.857 12.622 -1.812 663 HB2 MET 81 HB1 MET 81 -3.497 13.383 -3.683 664 HB3 MET 81 HB2 MET 81 -2.587 13.020 -2.198 665 HG2 MET 81 HG1 MET 81 -1.760 10.966 -3.173 666 HG3 MET 81 HG2 MET 81 -2.725 11.238 -4.633 667 HE1 MET 81 HE1 MET 81 -0.098 14.923 -4.310 668 HE2 MET 81 HE2 MET 81 -1.857 14.706 -4.209 669 HE3 MET 81 HE3 MET 81 -0.820 14.238 -2.840 670 H ALA 82 H ALA 82 -5.484 9.566 -2.887 671 HA ALA 82 HA ALA 82 -7.201 10.474 -5.095 672 HB1 ALA 82 HB1 ALA 82 -7.738 8.079 -5.322 673 HB2 ALA 82 HB2 ALA 82 -5.980 8.355 -5.305 674 HB3 ALA 82 HB3 ALA 82 -6.797 7.729 -3.854 675 H TYR 83 H TYR 83 -7.497 10.807 -1.849 676 HA TYR 83 HA TYR 83 -10.357 11.223 -2.099 677 HB2 TYR 83 HB1 TYR 83 -10.879 9.989 0.023 678 HB3 TYR 83 HB2 TYR 83 -10.541 8.999 -1.406 679 HD1 TYR 83 HD2 TYR 83 -8.443 7.707 -1.570 680 HD2 TYR 83 HD1 TYR 83 -9.449 9.868 2.008 681 HE1 TYR 83 HE2 TYR 83 -7.167 6.060 -0.236 682 HE2 TYR 83 HE1 TYR 83 -7.922 8.398 3.314 683 HH TYR 83 HH TYR 83 -6.238 5.593 1.802 684 H ASN 84 H ASN 84 -7.363 11.938 -0.508 685 HA ASN 84 HA ASN 84 -8.410 13.520 1.633 686 HB2 ASN 84 HB1 ASN 84 -6.120 12.590 1.526 687 HB3 ASN 84 HB2 ASN 84 -5.746 13.720 0.205 688 HD21 ASN 84 HD21 ASN 84 -4.272 13.629 2.589 689 HD22 ASN 84 HD22 ASN 84 -4.530 15.120 3.473 690 H ASP 85 H ASP 85 -9.547 15.128 1.498 691 HA ASP 85 HA ASP 85 -9.141 17.645 0.375 692 HB2 ASP 85 HB1 ASP 85 -9.739 16.403 -1.775 693 HB3 ASP 85 HB2 ASP 85 -11.360 16.180 -1.083 694 H PHE 86 H PHE 86 -11.543 15.169 1.341 695 HA PHE 86 HA PHE 86 -13.060 16.809 3.113 696 HB2 PHE 86 HB1 PHE 86 -12.498 13.829 3.074 697 HB3 PHE 86 HB2 PHE 86 -13.724 14.613 4.086 698 HD1 PHE 86 HD2 PHE 86 -15.578 15.951 2.918 699 HD2 PHE 86 HD1 PHE 86 -13.011 13.191 0.833 700 HE1 PHE 86 HE2 PHE 86 -17.221 15.829 1.059 701 HE2 PHE 86 HE1 PHE 86 -14.648 13.084 -1.033 702 HZ PHE 86 HZ PHE 86 -16.757 14.399 -0.920 703 H PHE 87 H PHE 87 -9.880 16.674 3.325 704 HA PHE 87 HA PHE 87 -9.946 17.100 6.269 705 HB2 PHE 87 HB1 PHE 87 -7.558 16.327 4.557 706 HB3 PHE 87 HB2 PHE 87 -7.559 16.578 6.311 707 HD1 PHE 87 HD1 PHE 87 -8.703 14.334 3.579 708 HD2 PHE 87 HD2 PHE 87 -8.176 14.820 7.822 709 HE1 PHE 87 HE1 PHE 87 -9.088 11.903 3.894 710 HE2 PHE 87 HE2 PHE 87 -8.564 12.385 8.144 711 HZ PHE 87 HZ PHE 87 -9.018 10.925 6.185 712 H LEU 88 H LEU 88 -10.000 18.718 3.362 713 HA LEU 88 HA LEU 88 -8.121 20.846 4.147 714 HB2 LEU 88 HB1 LEU 88 -9.415 20.012 1.584 715 HB3 LEU 88 HB2 LEU 88 -8.972 21.722 1.787 716 HG LEU 88 HG LEU 88 -7.097 19.355 2.048 717 HD11 LEU 88 HD11 LEU 88 -6.121 20.190 -0.074 718 HD12 LEU 88 HD12 LEU 88 -7.836 19.765 -0.274 719 HD13 LEU 88 HD13 LEU 88 -7.352 21.472 -0.128 720 HD21 LEU 88 HD21 LEU 88 -5.269 21.030 2.087 721 HD22 LEU 88 HD22 LEU 88 -6.472 22.334 2.058 722 HD23 LEU 88 HD23 LEU 88 -6.373 21.245 3.461 723 H GLU 89 H GLU 89 -11.313 20.671 2.799 724 HA GLU 89 HA GLU 89 -13.258 21.783 3.012 725 HB2 GLU 89 HB1 GLU 89 -12.575 21.350 5.536 726 HB3 GLU 89 HB2 GLU 89 -12.437 23.125 5.566 727 HG2 GLU 89 HG1 GLU 89 -14.747 23.397 4.986 728 HG3 GLU 89 HG2 GLU 89 -14.925 21.665 4.622 729 H ASP 90 H ASP 90 -10.516 23.171 2.265 730 HA ASP 90 HA ASP 90 -11.149 25.765 1.393 731 HB2 ASP 90 HB1 ASP 90 -11.402 26.717 3.449 732 HB3 ASP 90 HB2 ASP 90 -10.389 25.504 4.262 733 H ASN 91 H ASN 91 -9.439 26.553 0.276 734 HA ASN 91 HA ASN 91 -7.091 26.644 -0.382 735 HB2 ASN 91 HB1 ASN 91 -6.305 24.658 0.773 736 HB3 ASN 91 HB2 ASN 91 -7.292 23.620 -0.278 737 HD21 ASN 91 HD21 ASN 91 -5.994 22.501 -1.617 738 HD22 ASN 91 HD22 ASN 91 -4.591 23.146 -2.454 739 H LYS 92 H LYS 92 -9.768 24.629 -1.347 740 HA LYS 92 HA LYS 92 -10.327 25.740 -3.836 741 HB2 LYS 92 HB1 LYS 92 -9.803 23.783 -5.325 742 HB3 LYS 92 HB2 LYS 92 -8.444 24.834 -4.858 743 HG2 LYS 92 HG1 LYS 92 -7.940 22.389 -5.000 744 HG3 LYS 92 HG2 LYS 92 -7.507 23.186 -3.469 745 HD2 LYS 92 HD1 LYS 92 -8.375 20.907 -3.152 746 HD3 LYS 92 HD2 LYS 92 -9.371 22.141 -2.343 747 HE2 LYS 92 HE1 LYS 92 -10.651 21.944 -4.756 748 HE3 LYS 92 HE2 LYS 92 -10.060 20.281 -4.552 749 HZ1 LYS 92 HZ1 LYS 92 -12.206 20.588 -3.558 750 HZ2 LYS 92 HZ2 LYS 92 -11.088 20.247 -2.393 751 HZ3 LYS 92 HZ3 LYS 92 -11.637 21.790 -2.582 752 HA MET 1 HA MET 1 -10.574 3.474 10.464 753 HB2 MET 1 HB1 MET 1 -13.048 2.834 12.074 754 HB3 MET 1 HB2 MET 1 -11.739 3.966 12.489 755 HG2 MET 1 HG1 MET 1 -12.427 5.439 10.649 756 HG3 MET 1 HG2 MET 1 -13.726 4.311 10.224 757 HE1 MET 1 HE1 MET 1 -16.452 4.783 12.780 758 HE2 MET 1 HE2 MET 1 -16.031 4.386 11.096 759 HE3 MET 1 HE3 MET 1 -15.356 3.423 12.433 760 H GLU 2 H GLU 2 -11.785 0.321 10.426 761 HA GLU 2 HA GLU 2 -11.599 -0.397 13.232 762 HB2 GLU 2 HB1 GLU 2 -12.126 -2.047 10.715 763 HB3 GLU 2 HB2 GLU 2 -12.500 -2.523 12.389 764 HG2 GLU 2 HG1 GLU 2 -14.544 -1.860 11.315 765 HG3 GLU 2 HG2 GLU 2 -14.114 -0.624 12.515 766 H THR 3 H THR 3 -9.491 -0.372 10.506 767 HA THR 3 HA THR 3 -8.360 -2.999 11.159 768 HB THR 3 HB THR 3 -7.980 -3.433 9.098 769 HG1 THR 3 HG1 THR 3 -6.815 -2.077 7.693 770 HG21 THR 3 HG21 THR 3 -9.150 -2.225 7.305 771 HG22 THR 3 HG22 THR 3 -10.158 -2.412 8.751 772 HG23 THR 3 HG23 THR 3 -9.381 -0.850 8.400 773 HA PRO 4 HA PRO 4 -4.824 -1.658 13.102 774 HB2 PRO 4 HB1 PRO 4 -2.880 -3.514 12.612 775 HB3 PRO 4 HB2 PRO 4 -4.412 -3.907 13.456 776 HG2 PRO 4 HG1 PRO 4 -3.749 -4.320 10.536 777 HG3 PRO 4 HG2 PRO 4 -4.482 -5.496 11.674 778 HD2 PRO 4 HD1 PRO 4 -5.976 -3.969 9.945 779 HD3 PRO 4 HD2 PRO 4 -6.569 -4.398 11.579 780 H LEU 5 H LEU 5 -3.724 -2.438 9.720 781 HA LEU 5 HA LEU 5 -1.550 -0.532 9.885 782 HB2 LEU 5 HB1 LEU 5 -1.201 -2.423 8.575 783 HB3 LEU 5 HB2 LEU 5 -2.729 -2.204 7.689 784 HG LEU 5 HG LEU 5 -1.811 -0.341 6.456 785 HD11 LEU 5 HD11 LEU 5 0.583 0.331 6.630 786 HD12 LEU 5 HD12 LEU 5 -0.276 0.624 8.157 787 HD13 LEU 5 HD13 LEU 5 0.788 -0.792 7.990 788 HD21 LEU 5 HD21 LEU 5 -0.002 -1.526 5.208 789 HD22 LEU 5 HD22 LEU 5 0.187 -2.654 6.567 790 HD23 LEU 5 HD23 LEU 5 -1.323 -2.640 5.625 791 H GLU 6 H GLU 6 -4.950 -0.312 8.717 792 HA GLU 6 HA GLU 6 -4.914 2.376 7.931 793 HB2 GLU 6 HB1 GLU 6 -6.835 0.735 8.011 794 HB3 GLU 6 HB2 GLU 6 -6.958 1.078 9.752 795 HG2 GLU 6 HG1 GLU 6 -7.279 3.504 9.181 796 HG3 GLU 6 HG2 GLU 6 -7.329 3.044 7.466 797 H LYS 7 H LYS 7 -4.713 1.125 11.388 798 HA LYS 7 HA LYS 7 -4.876 3.765 12.495 799 HB2 LYS 7 HB1 LYS 7 -3.299 1.484 13.706 800 HB3 LYS 7 HB2 LYS 7 -3.942 2.923 14.533 801 HG2 LYS 7 HG1 LYS 7 -5.444 0.529 13.503 802 HG3 LYS 7 HG2 LYS 7 -5.269 1.098 15.181 803 HD2 LYS 7 HD1 LYS 7 -6.506 3.227 14.424 804 HD3 LYS 7 HD2 LYS 7 -6.912 2.331 12.941 805 HE2 LYS 7 HE1 LYS 7 -7.338 1.090 15.674 806 HE3 LYS 7 HE2 LYS 7 -8.554 2.183 14.979 807 HZ1 LYS 7 HZ1 LYS 7 -9.002 -0.101 14.444 808 HZ2 LYS 7 HZ2 LYS 7 -8.662 0.747 13.069 809 HZ3 LYS 7 HZ3 LYS 7 -7.532 -0.267 13.713 810 H ALA 8 H ALA 8 -2.166 1.901 11.183 811 HA ALA 8 HA ALA 8 -0.094 3.698 12.055 812 HB1 ALA 8 HB1 ALA 8 1.295 2.307 10.582 813 HB2 ALA 8 HB2 ALA 8 0.252 1.310 11.626 814 HB3 ALA 8 HB3 ALA 8 -0.169 1.546 9.913 815 H LEU 9 H LEU 9 -1.797 3.294 8.844 816 HA LEU 9 HA LEU 9 -0.581 5.539 7.625 817 HB2 LEU 9 HB1 LEU 9 -3.164 4.077 7.267 818 HB3 LEU 9 HB2 LEU 9 -2.965 5.661 6.479 819 HG LEU 9 HG LEU 9 -2.478 3.912 4.923 820 HD11 LEU 9 HD11 LEU 9 -0.197 4.526 4.185 821 HD12 LEU 9 HD12 LEU 9 -1.118 5.946 4.723 822 HD13 LEU 9 HD13 LEU 9 0.121 5.233 5.784 823 HD21 LEU 9 HD21 LEU 9 -0.636 2.295 5.184 824 HD22 LEU 9 HD22 LEU 9 -0.329 2.921 6.816 825 HD23 LEU 9 HD23 LEU 9 -1.866 2.103 6.449 826 H THR 10 H THR 10 -3.551 5.380 9.693 827 HA THR 10 HA THR 10 -4.150 8.122 9.746 828 HB THR 10 HB THR 10 -4.482 6.088 11.978 829 HG1 THR 10 HG1 THR 10 -6.563 5.974 11.000 830 HG21 THR 10 HG21 THR 10 -6.341 7.563 12.713 831 HG22 THR 10 HG22 THR 10 -4.786 8.421 12.773 832 HG23 THR 10 HG23 THR 10 -5.921 8.725 11.435 833 H THR 11 H THR 11 -1.881 6.304 11.867 834 HA THR 11 HA THR 11 -1.211 8.498 13.559 835 HB THR 11 HB THR 11 0.245 5.922 12.914 836 HG1 THR 11 HG1 THR 11 -0.705 5.413 14.951 837 HG21 THR 11 HG21 THR 11 1.469 6.248 15.049 838 HG22 THR 11 HG22 THR 11 1.854 7.534 13.885 839 HG23 THR 11 HG23 THR 11 0.722 7.849 15.223 840 H MET 12 H MET 12 0.349 7.255 10.571 841 HA MET 12 HA MET 12 2.467 9.139 10.474 842 HB2 MET 12 HB1 MET 12 2.342 7.028 9.211 843 HB3 MET 12 HB2 MET 12 0.996 7.686 8.250 844 HG2 MET 12 HG1 MET 12 2.470 9.488 7.457 845 HG3 MET 12 HG2 MET 12 3.809 8.784 8.380 846 HE1 MET 12 HE1 MET 12 4.465 5.398 6.486 847 HE2 MET 12 HE2 MET 12 4.994 6.481 7.793 848 HE3 MET 12 HE3 MET 12 3.420 5.654 7.901 849 H VAL 13 H VAL 13 -0.797 9.316 8.796 850 HA VAL 13 HA VAL 13 -0.251 11.921 7.802 851 HB VAL 13 HB VAL 13 -2.595 12.224 7.328 852 HG11 VAL 13 HG11 VAL 13 -2.880 10.315 5.776 853 HG12 VAL 13 HG12 VAL 13 -1.203 10.900 5.794 854 HG13 VAL 13 HG13 VAL 13 -1.637 9.413 6.669 855 HG21 VAL 13 HG21 VAL 13 -4.311 10.519 7.795 856 HG22 VAL 13 HG22 VAL 13 -3.130 9.609 8.756 857 HG23 VAL 13 HG23 VAL 13 -3.657 11.224 9.286 858 H THR 14 H THR 14 -1.524 10.914 10.943 859 HA THR 14 HA THR 14 -2.349 13.524 11.837 860 HB THR 14 HB THR 14 -1.592 11.043 13.423 861 HG1 THR 14 HG1 THR 14 -3.884 10.809 13.403 862 HG21 THR 14 HG21 THR 14 -3.027 12.008 15.207 863 HG22 THR 14 HG22 THR 14 -1.649 13.072 14.849 864 HG23 THR 14 HG23 THR 14 -3.267 13.464 14.217 865 H THR 15 H THR 15 0.688 11.638 12.207 866 HA THR 15 HA THR 15 1.946 13.546 13.958 867 HB THR 15 HB THR 15 3.250 11.419 12.230 868 HG1 THR 15 HG1 THR 15 3.066 10.212 14.187 869 HG21 THR 15 HG21 THR 15 5.013 11.485 13.984 870 HG22 THR 15 HG22 THR 15 4.836 13.070 13.201 871 HG23 THR 15 HG23 THR 15 4.134 12.790 14.813 872 H PHE 16 H PHE 16 1.946 13.094 10.430 873 HA PHE 16 HA PHE 16 3.634 15.279 9.726 874 HB2 PHE 16 HB1 PHE 16 2.945 13.426 8.279 875 HB3 PHE 16 HB2 PHE 16 1.257 13.954 8.378 876 HD1 PHE 16 HD2 PHE 16 4.580 14.674 6.884 877 HD2 PHE 16 HD1 PHE 16 0.416 15.755 7.051 878 HE1 PHE 16 HE2 PHE 16 4.811 15.905 4.735 879 HE2 PHE 16 HE1 PHE 16 0.661 17.026 4.940 880 HZ PHE 16 HZ PHE 16 2.859 17.115 3.779 881 H HIS 17 H HIS 17 0.012 15.170 10.025 882 HA HIS 17 HA HIS 17 -0.406 17.925 9.448 883 HB2 HIS 17 HB1 HIS 17 -2.071 16.141 9.210 884 HB3 HIS 17 HB2 HIS 17 -2.095 15.912 10.969 885 HD1 HIS 17 HD1 HIS 17 -3.406 17.821 12.393 886 HD2 HIS 17 HD2 HIS 17 -3.527 18.175 8.205 887 HE1 HIS 17 HE1 HIS 17 -5.318 19.425 11.851 888 HE2 HIS 17 HE2 HIS 17 -5.430 19.633 9.301 889 H LYS 18 H LYS 18 0.509 16.382 12.520 890 HA LYS 18 HA LYS 18 0.002 18.483 14.310 891 HB2 LYS 18 HB1 LYS 18 0.829 16.263 14.879 892 HB3 LYS 18 HB2 LYS 18 2.380 16.619 14.083 893 HG2 LYS 18 HG1 LYS 18 1.606 18.473 16.265 894 HG3 LYS 18 HG2 LYS 18 1.960 16.799 16.755 895 HD2 LYS 18 HD1 LYS 18 4.132 16.957 15.503 896 HD3 LYS 18 HD2 LYS 18 3.780 18.674 15.195 897 HE2 LYS 18 HE1 LYS 18 5.293 18.559 17.056 898 HE3 LYS 18 HE2 LYS 18 3.698 19.025 17.686 899 HZ1 LYS 18 HZ1 LYS 18 4.733 17.345 19.039 900 HZ2 LYS 18 HZ2 LYS 18 3.363 16.746 18.343 901 HZ3 LYS 18 HZ3 LYS 18 4.844 16.315 17.757 902 H TYR 19 H TYR 19 2.350 18.406 11.688 903 HA TYR 19 HA TYR 19 3.286 21.152 12.337 904 HB2 TYR 19 HB1 TYR 19 4.360 19.240 10.235 905 HB3 TYR 19 HB2 TYR 19 5.107 20.737 10.818 906 HD1 TYR 19 HD1 TYR 19 4.354 17.210 11.611 907 HD2 TYR 19 HD2 TYR 19 6.467 20.750 12.849 908 HE1 TYR 19 HE1 TYR 19 5.445 15.912 13.423 909 HE2 TYR 19 HE2 TYR 19 7.659 19.429 14.596 910 HH TYR 19 HH TYR 19 7.777 17.350 15.669 911 H SER 20 H SER 20 2.300 19.222 9.454 912 HA SER 20 HA SER 20 1.949 21.477 7.744 913 HB2 SER 20 HB1 SER 20 0.788 18.703 7.325 914 HB3 SER 20 HB2 SER 20 1.401 19.842 6.103 915 HG SER 20 HG SER 20 2.878 18.132 6.544 916 H GLY 21 H GLY 21 -0.175 20.682 10.194 917 HA2 GLY 21 HA2 GLY 21 -1.939 21.905 8.737 918 H ARG 22 H ARG 22 -0.468 23.044 10.393 919 HA ARG 22 HA ARG 22 -2.272 23.994 12.494 920 HB2 ARG 22 HB1 ARG 22 0.587 24.651 11.741 921 HB3 ARG 22 HB2 ARG 22 -0.263 25.323 13.152 922 HG2 ARG 22 HG1 ARG 22 -0.309 23.170 14.228 923 HG3 ARG 22 HG2 ARG 22 0.343 22.376 12.776 924 HD2 ARG 22 HD1 ARG 22 2.067 22.909 14.593 925 HD3 ARG 22 HD2 ARG 22 2.446 23.537 12.975 926 HE ARG 22 HE ARG 22 2.354 25.666 13.810 927 HH11 ARG 22 HH12 ARG 22 1.005 23.578 16.289 928 HH12 ARG 22 HH11 ARG 22 0.562 24.914 17.322 929 HH21 ARG 22 HH22 ARG 22 1.554 27.365 15.056 930 HH22 ARG 22 HH21 ARG 22 0.870 27.033 16.630 931 H GLU 23 H GLU 23 -0.176 25.620 10.103 932 HA GLU 23 HA GLU 23 -2.057 27.905 9.855 933 HB2 GLU 23 HB1 GLU 23 0.953 28.026 10.321 934 HB3 GLU 23 HB2 GLU 23 -0.080 29.414 9.908 935 HG2 GLU 23 HG1 GLU 23 -0.326 29.799 12.079 936 HG3 GLU 23 HG2 GLU 23 -1.247 28.285 12.197 937 H GLY 24 H GLY 24 -2.064 28.776 7.751 938 HA2 GLY 24 HA2 GLY 24 -2.106 28.519 5.934 939 H SER 25 H SER 25 0.193 26.567 4.485 940 HA SER 25 HA SER 25 -1.917 25.440 2.915 941 HB2 SER 25 HB1 SER 25 0.910 24.370 3.255 942 HB3 SER 25 HB2 SER 25 -0.128 24.302 1.812 943 HG SER 25 HG SER 25 1.508 25.915 1.657 944 H LYS 26 H LYS 26 -3.426 23.818 3.727 945 HA LYS 26 HA LYS 26 -2.628 22.762 6.325 946 HB2 LYS 26 HB1 LYS 26 -5.279 22.475 4.902 947 HB3 LYS 26 HB2 LYS 26 -4.942 22.050 6.597 948 HG2 LYS 26 HG1 LYS 26 -5.852 24.073 6.984 949 HG3 LYS 26 HG2 LYS 26 -4.198 24.634 6.641 950 HD2 LYS 26 HD1 LYS 26 -5.830 26.036 5.503 951 HD3 LYS 26 HD2 LYS 26 -4.848 25.138 4.322 952 HE2 LYS 26 HE1 LYS 26 -7.094 25.103 3.526 953 HE3 LYS 26 HE2 LYS 26 -6.742 23.477 4.151 954 HZ1 LYS 26 HZ1 LYS 26 -8.897 24.243 4.831 955 HZ2 LYS 26 HZ2 LYS 26 -7.919 24.057 6.144 956 HZ3 LYS 26 HZ3 LYS 26 -8.245 25.566 5.565 957 H LEU 27 H LEU 27 -1.421 21.512 3.846 958 HA LEU 27 HA LEU 27 -1.700 18.694 4.601 959 HB2 LEU 27 HB1 LEU 27 -2.465 19.820 1.900 960 HB3 LEU 27 HB2 LEU 27 -1.923 18.133 2.087 961 HG LEU 27 HG LEU 27 -4.381 19.397 3.342 962 HD11 LEU 27 HD11 LEU 27 -5.506 17.847 1.762 963 HD12 LEU 27 HD12 LEU 27 -4.435 18.974 0.893 964 HD13 LEU 27 HD13 LEU 27 -3.920 17.294 1.170 965 HD21 LEU 27 HD21 LEU 27 -4.956 17.109 4.098 966 HD22 LEU 27 HD22 LEU 27 -3.388 16.520 3.502 967 HD23 LEU 27 HD23 LEU 27 -3.452 17.676 4.856 968 H THR 28 H THR 28 0.356 21.143 3.891 969 HA THR 28 HA THR 28 2.490 19.354 2.887 970 HB THR 28 HB THR 28 3.247 21.348 1.462 971 HG1 THR 28 HG1 THR 28 1.497 22.669 0.776 972 HG21 THR 28 HG21 THR 28 1.799 20.704 -0.448 973 HG22 THR 28 HG22 THR 28 2.327 19.278 0.470 974 HG23 THR 28 HG23 THR 28 0.678 19.913 0.680 975 H LEU 29 H LEU 29 4.675 20.223 3.251 976 HA LEU 29 HA LEU 29 5.025 22.613 4.865 977 HB2 LEU 29 HB1 LEU 29 5.880 21.768 6.817 978 HB3 LEU 29 HB2 LEU 29 4.495 20.698 6.489 979 HG LEU 29 HG LEU 29 7.426 20.046 6.083 980 HD11 LEU 29 HD11 LEU 29 7.052 18.420 7.926 981 HD12 LEU 29 HD12 LEU 29 6.700 20.082 8.450 982 HD13 LEU 29 HD13 LEU 29 5.366 18.970 8.062 983 HD21 LEU 29 HD21 LEU 29 6.694 17.735 5.575 984 HD22 LEU 29 HD22 LEU 29 5.000 18.258 5.673 985 HD23 LEU 29 HD23 LEU 29 6.057 18.894 4.390 986 H SER 30 H SER 30 7.577 22.902 5.319 987 HA SER 30 HA SER 30 8.692 22.571 2.660 988 HB2 SER 30 HB1 SER 30 10.529 23.953 3.438 989 HB3 SER 30 HB2 SER 30 8.963 24.666 3.893 990 HG SER 30 HG SER 30 10.494 24.718 5.603 991 H ARG 31 H ARG 31 10.873 21.745 2.164 992 HA ARG 31 HA ARG 31 11.525 19.223 3.203 993 HB2 ARG 31 HB1 ARG 31 13.806 20.950 2.418 994 HB3 ARG 31 HB2 ARG 31 13.426 19.267 1.980 995 HG2 ARG 31 HG1 ARG 31 12.117 21.685 0.747 996 HG3 ARG 31 HG2 ARG 31 13.553 20.862 0.090 997 HD2 ARG 31 HD1 ARG 31 10.873 19.532 0.519 998 HD3 ARG 31 HD2 ARG 31 11.393 20.268 -1.012 999 HE ARG 31 HE ARG 31 13.209 18.244 0.059 1000 HH11 ARG 31 HH12 ARG 31 10.771 19.023 -2.387 1001 HH12 ARG 31 HH11 ARG 31 10.878 17.456 -3.143 1002 HH21 ARG 31 HH22 ARG 31 13.113 16.162 -0.829 1003 HH22 ARG 31 HH21 ARG 31 12.177 15.871 -2.277 1004 H LYS 32 H LYS 32 12.572 22.453 4.324 1005 HA LYS 32 HA LYS 32 14.419 21.816 6.322 1006 HB2 LYS 32 HB1 LYS 32 13.522 24.081 5.360 1007 HB3 LYS 32 HB2 LYS 32 12.321 23.963 6.668 1008 HG2 LYS 32 HG1 LYS 32 13.944 25.198 7.731 1009 HG3 LYS 32 HG2 LYS 32 14.479 23.556 8.157 1010 HD2 LYS 32 HD1 LYS 32 16.429 24.795 7.482 1011 HD3 LYS 32 HD2 LYS 32 16.051 23.652 6.171 1012 HE2 LYS 32 HE1 LYS 32 14.807 25.498 5.001 1013 HE3 LYS 32 HE2 LYS 32 15.359 26.618 6.267 1014 HZ1 LYS 32 HZ1 LYS 32 16.740 26.722 4.324 1015 HZ2 LYS 32 HZ2 LYS 32 17.605 26.156 5.608 1016 HZ3 LYS 32 HZ3 LYS 32 17.094 25.116 4.432 1017 H GLU 33 H GLU 33 10.851 22.168 6.692 1018 HA GLU 33 HA GLU 33 10.877 21.464 9.465 1019 HB2 GLU 33 HB1 GLU 33 8.647 21.709 7.429 1020 HB3 GLU 33 HB2 GLU 33 8.374 21.362 9.153 1021 HG2 GLU 33 HG1 GLU 33 9.728 23.845 8.028 1022 HG3 GLU 33 HG2 GLU 33 8.068 23.756 8.657 1023 H LEU 34 H LEU 34 10.167 19.458 6.497 1024 HA LEU 34 HA LEU 34 9.456 17.089 7.839 1025 HB2 LEU 34 HB1 LEU 34 9.356 17.163 5.463 1026 HB3 LEU 34 HB2 LEU 34 11.082 17.571 5.330 1027 HG LEU 34 HG LEU 34 11.684 15.335 6.138 1028 HD11 LEU 34 HD11 LEU 34 9.993 13.540 6.364 1029 HD12 LEU 34 HD12 LEU 34 9.712 14.848 7.532 1030 HD13 LEU 34 HD13 LEU 34 8.705 14.727 6.069 1031 HD21 LEU 34 HD21 LEU 34 10.972 14.011 4.168 1032 HD22 LEU 34 HD22 LEU 34 9.704 15.209 3.831 1033 HD23 LEU 34 HD23 LEU 34 11.419 15.667 3.708 1034 H LYS 35 H LYS 35 12.745 18.349 7.151 1035 HA LYS 35 HA LYS 35 14.195 16.310 8.416 1036 HB2 LYS 35 HB1 LYS 35 15.797 17.442 7.432 1037 HB3 LYS 35 HB2 LYS 35 14.672 18.785 7.120 1038 HG2 LYS 35 HG1 LYS 35 15.267 19.744 9.339 1039 HG3 LYS 35 HG2 LYS 35 16.463 18.443 9.546 1040 HD2 LYS 35 HD1 LYS 35 16.702 19.969 7.005 1041 HD3 LYS 35 HD2 LYS 35 17.036 20.903 8.483 1042 HE2 LYS 35 HE1 LYS 35 18.729 19.377 9.187 1043 HE3 LYS 35 HE2 LYS 35 18.228 18.157 7.997 1044 HZ1 LYS 35 HZ1 LYS 35 20.231 19.272 7.339 1045 HZ2 LYS 35 HZ2 LYS 35 19.017 19.605 6.277 1046 HZ3 LYS 35 HZ3 LYS 35 19.482 20.738 7.382 1047 H GLU 36 H GLU 36 12.515 18.997 9.949 1048 HA GLU 36 HA GLU 36 13.689 18.400 12.566 1049 HB2 GLU 36 HB1 GLU 36 13.201 20.710 11.820 1050 HB3 GLU 36 HB2 GLU 36 11.468 20.307 11.763 1051 HG2 GLU 36 HG1 GLU 36 11.858 21.464 13.807 1052 HG3 GLU 36 HG2 GLU 36 11.603 19.752 14.209 1053 H LEU 37 H LEU 37 10.537 17.884 10.924 1054 HA LEU 37 HA LEU 37 9.050 16.700 12.956 1055 HB2 LEU 37 HB1 LEU 37 7.872 17.059 11.077 1056 HB3 LEU 37 HB2 LEU 37 9.210 16.578 10.005 1057 HG LEU 37 HG LEU 37 8.638 14.241 10.305 1058 HD11 LEU 37 HD11 LEU 37 6.498 13.516 11.322 1059 HD12 LEU 37 HD12 LEU 37 7.586 14.223 12.532 1060 HD13 LEU 37 HD13 LEU 37 6.221 15.171 11.894 1061 HD21 LEU 37 HD21 LEU 37 6.506 14.343 9.016 1062 HD22 LEU 37 HD22 LEU 37 6.264 16.020 9.556 1063 HD23 LEU 37 HD23 LEU 37 7.632 15.615 8.492 1064 H ILE 38 H ILE 38 11.503 15.101 10.874 1065 HA ILE 38 HA ILE 38 11.440 12.522 12.052 1066 HB ILE 38 HB ILE 38 13.445 14.062 10.398 1067 HG12 ILE 38 HG13 ILE 38 11.803 11.672 9.532 1068 HG13 ILE 38 HG12 ILE 38 11.051 13.283 9.634 1069 HG21 ILE 38 HG21 ILE 38 14.603 11.943 9.854 1070 HG22 ILE 38 HG22 ILE 38 14.740 12.336 11.581 1071 HG23 ILE 38 HG23 ILE 38 13.586 11.093 11.036 1072 HD11 ILE 38 HD11 ILE 38 11.878 12.827 7.347 1073 HD12 ILE 38 HD12 ILE 38 12.760 14.180 8.093 1074 HD13 ILE 38 HD13 ILE 38 13.514 12.569 7.992 1075 H LYS 39 H LYS 39 12.804 15.377 13.414 1076 HA LYS 39 HA LYS 39 14.461 13.888 15.356 1077 HB2 LYS 39 HB1 LYS 39 14.043 16.713 14.474 1078 HB3 LYS 39 HB2 LYS 39 14.519 16.470 16.172 1079 HG2 LYS 39 HG1 LYS 39 16.419 16.892 14.609 1080 HG3 LYS 39 HG2 LYS 39 16.540 15.371 15.525 1081 HD2 LYS 39 HD1 LYS 39 16.082 14.051 13.632 1082 HD3 LYS 39 HD2 LYS 39 15.355 15.409 12.742 1083 HE2 LYS 39 HE1 LYS 39 18.274 15.373 13.559 1084 HE3 LYS 39 HE2 LYS 39 17.707 14.687 12.021 1085 HZ1 LYS 39 HZ1 LYS 39 18.394 16.967 11.778 1086 HZ2 LYS 39 HZ2 LYS 39 16.777 16.830 11.481 1087 HZ3 LYS 39 HZ3 LYS 39 17.304 17.467 12.908 1088 H LYS 40 H LYS 40 11.188 14.889 15.130 1089 HA LYS 40 HA LYS 40 10.843 15.145 18.085 1090 HB2 LYS 40 HB1 LYS 40 9.821 16.661 15.705 1091 HB3 LYS 40 HB2 LYS 40 8.758 16.508 17.124 1092 HG2 LYS 40 HG1 LYS 40 9.946 18.617 17.087 1093 HG3 LYS 40 HG2 LYS 40 10.370 17.626 18.505 1094 HD2 LYS 40 HD1 LYS 40 12.554 17.213 17.695 1095 HD3 LYS 40 HD2 LYS 40 12.145 17.780 16.059 1096 HE2 LYS 40 HE1 LYS 40 11.783 20.062 16.933 1097 HE3 LYS 40 HE2 LYS 40 12.170 19.500 18.575 1098 HZ1 LYS 40 HZ1 LYS 40 14.044 20.544 17.526 1099 HZ2 LYS 40 HZ2 LYS 40 14.363 18.950 17.796 1100 HZ3 LYS 40 HZ3 LYS 40 14.004 19.471 16.274 1101 H GLU 41 H GLU 41 9.581 13.716 15.098 1102 HA GLU 41 HA GLU 41 7.474 12.218 16.412 1103 HB2 GLU 41 HB1 GLU 41 7.506 10.841 14.327 1104 HB3 GLU 41 HB2 GLU 41 7.256 12.583 14.061 1105 HG2 GLU 41 HG1 GLU 41 8.982 12.676 12.684 1106 HG3 GLU 41 HG2 GLU 41 10.060 12.003 13.925 1107 H LEU 42 H LEU 42 10.875 11.900 16.273 1108 HA LEU 42 HA LEU 42 10.861 9.421 17.818 1109 HB2 LEU 42 HB1 LEU 42 11.597 9.539 14.972 1110 HB3 LEU 42 HB2 LEU 42 12.942 8.984 15.996 1111 HG LEU 42 HG LEU 42 10.163 7.766 15.884 1112 HD11 LEU 42 HD11 LEU 42 11.317 5.865 14.788 1113 HD12 LEU 42 HD12 LEU 42 11.509 7.364 13.849 1114 HD13 LEU 42 HD13 LEU 42 12.853 6.763 14.851 1115 HD21 LEU 42 HD21 LEU 42 11.108 5.959 17.291 1116 HD22 LEU 42 HD22 LEU 42 12.647 6.845 17.389 1117 HD23 LEU 42 HD23 LEU 42 11.176 7.528 18.123 1118 H CYS 43 H CYS 43 12.503 9.506 19.321 1119 HA CYS 43 HA CYS 43 14.781 11.290 19.005 1120 HB2 CYS 43 HB1 CYS 43 13.844 10.492 21.204 1121 HB3 CYS 43 HB2 CYS 43 14.514 8.885 20.829 1122 HG CYS 43 HG CYS 43 16.086 10.134 22.510 1123 H LEU 44 H LEU 44 15.604 7.905 19.574 1124 HA LEU 44 HA LEU 44 17.538 6.992 18.846 1125 HB2 LEU 44 HB1 LEU 44 15.894 7.265 16.367 1126 HB3 LEU 44 HB2 LEU 44 17.552 6.626 16.267 1127 HG LEU 44 HG LEU 44 16.876 4.917 18.004 1128 HD11 LEU 44 HD11 LEU 44 14.478 4.324 18.186 1129 HD12 LEU 44 HD12 LEU 44 14.800 5.936 18.855 1130 HD13 LEU 44 HD13 LEU 44 14.059 5.770 17.246 1131 HD21 LEU 44 HD21 LEU 44 15.786 3.494 16.277 1132 HD22 LEU 44 HD22 LEU 44 15.405 4.946 15.324 1133 HD23 LEU 44 HD23 LEU 44 17.100 4.462 15.571 1134 H GLY 45 H GLY 45 18.890 8.529 19.613 1135 HA2 GLY 45 HA2 GLY 45 19.888 9.881 17.580 1136 H GLU 46 H GLU 46 20.592 7.651 17.647 1137 HA GLU 46 HA GLU 46 23.508 7.812 17.978 1138 HB2 GLU 46 HB1 GLU 46 23.612 5.962 19.505 1139 HB3 GLU 46 HB2 GLU 46 22.622 7.274 20.188 1140 HG2 GLU 46 HG1 GLU 46 21.655 4.630 19.072 1141 HG3 GLU 46 HG2 GLU 46 21.642 5.159 20.769 1142 H MET 47 H MET 47 20.829 5.436 17.182 1143 HA MET 47 HA MET 47 22.343 4.071 15.172 1144 HB2 MET 47 HB1 MET 47 19.419 4.451 15.788 1145 HB3 MET 47 HB2 MET 47 19.889 3.755 14.218 1146 HG2 MET 47 HG1 MET 47 19.479 1.914 15.572 1147 HG3 MET 47 HG2 MET 47 21.243 2.064 15.534 1148 HE1 MET 47 HE1 MET 47 18.482 2.881 19.152 1149 HE2 MET 47 HE2 MET 47 18.409 3.854 17.664 1150 HE3 MET 47 HE3 MET 47 17.988 2.124 17.618 1151 H LYS 48 H LYS 48 20.501 7.099 15.168 1152 HA LYS 48 HA LYS 48 20.472 7.318 12.271 1153 HB2 LYS 48 HB1 LYS 48 19.365 8.896 14.551 1154 HB3 LYS 48 HB2 LYS 48 19.504 9.660 12.949 1155 HG2 LYS 48 HG1 LYS 48 18.099 8.091 11.931 1156 HG3 LYS 48 HG2 LYS 48 18.362 6.880 13.208 1157 HD2 LYS 48 HD1 LYS 48 16.125 7.720 13.324 1158 HD3 LYS 48 HD2 LYS 48 17.054 8.230 14.755 1159 HE2 LYS 48 HE1 LYS 48 17.274 10.501 13.722 1160 HE3 LYS 48 HE2 LYS 48 16.194 9.961 12.418 1161 HZ1 LYS 48 HZ1 LYS 48 14.993 11.106 14.149 1162 HZ2 LYS 48 HZ2 LYS 48 14.511 9.530 14.075 1163 HZ3 LYS 48 HZ3 LYS 48 15.513 10.031 15.287 1164 H GLU 49 H GLU 49 22.985 6.968 12.549 1165 HA GLU 49 HA GLU 49 24.626 9.208 13.239 1166 HB2 GLU 49 HB1 GLU 49 25.209 6.685 11.641 1167 HB3 GLU 49 HB2 GLU 49 26.443 7.832 12.211 1168 HG2 GLU 49 HG1 GLU 49 25.460 7.374 14.573 1169 HG3 GLU 49 HG2 GLU 49 24.720 5.945 13.820 1170 H SER 50 H SER 50 26.454 9.760 11.595 1171 HA SER 50 HA SER 50 25.575 11.668 9.788 1172 HB2 SER 50 HB1 SER 50 28.294 10.297 9.891 1173 HB3 SER 50 HB2 SER 50 27.945 11.942 9.305 1174 HG SER 50 HG SER 50 28.760 11.917 11.458 1175 H SER 51 H SER 51 25.091 8.516 8.916 1176 HA SER 51 HA SER 51 25.432 9.206 6.043 1177 HB2 SER 51 HB1 SER 51 24.641 6.598 7.398 1178 HB3 SER 51 HB2 SER 51 24.811 6.835 5.643 1179 HG SER 51 HG SER 51 26.728 6.022 6.619 1180 H ILE 52 H ILE 52 22.919 9.001 8.550 1181 HA ILE 52 HA ILE 52 20.850 9.340 6.493 1182 HB ILE 52 HB ILE 52 19.225 9.323 8.154 1183 HG12 ILE 52 HG13 ILE 52 20.115 9.054 10.675 1184 HG13 ILE 52 HG12 ILE 52 21.333 10.190 10.048 1185 HG21 ILE 52 HG21 ILE 52 19.675 7.211 9.371 1186 HG22 ILE 52 HG22 ILE 52 20.263 7.142 7.695 1187 HG23 ILE 52 HG23 ILE 52 21.410 7.396 9.033 1188 HD11 ILE 52 HD11 ILE 52 19.455 11.399 11.119 1189 HD12 ILE 52 HD12 ILE 52 19.539 11.747 9.381 1190 HD13 ILE 52 HD13 ILE 52 18.321 10.609 10.006 1191 H ASP 53 H ASP 53 23.015 11.395 8.286 1192 HA ASP 53 HA ASP 53 21.324 13.722 8.063 1193 HB2 ASP 53 HB1 ASP 53 23.204 13.323 9.781 1194 HB3 ASP 53 HB2 ASP 53 24.289 13.911 8.503 1195 H ASP 54 H ASP 54 23.541 12.174 5.764 1196 HA ASP 54 HA ASP 54 23.574 14.434 4.004 1197 HB2 ASP 54 HB1 ASP 54 24.935 12.258 3.763 1198 HB3 ASP 54 HB2 ASP 54 23.480 11.590 2.991 1199 H LEU 55 H LEU 55 21.076 11.925 4.640 1200 HA LEU 55 HA LEU 55 19.297 12.853 2.593 1201 HB2 LEU 55 HB1 LEU 55 18.474 11.593 5.206 1202 HB3 LEU 55 HB2 LEU 55 17.609 11.581 3.651 1203 HG LEU 55 HG LEU 55 20.187 10.114 4.268 1204 HD11 LEU 55 HD11 LEU 55 18.765 8.091 4.147 1205 HD12 LEU 55 HD12 LEU 55 18.215 9.191 5.434 1206 HD13 LEU 55 HD13 LEU 55 17.332 9.116 3.889 1207 HD21 LEU 55 HD21 LEU 55 19.858 9.018 2.075 1208 HD22 LEU 55 HD22 LEU 55 18.439 10.045 1.777 1209 HD23 LEU 55 HD23 LEU 55 20.059 10.774 1.898 1210 H MET 56 H MET 56 19.685 13.768 6.061 1211 HA MET 56 HA MET 56 17.717 15.757 6.259 1212 HB2 MET 56 HB1 MET 56 20.487 15.496 7.465 1213 HB3 MET 56 HB2 MET 56 19.343 16.776 7.938 1214 HG2 MET 56 HG1 MET 56 18.547 13.877 8.076 1215 HG3 MET 56 HG2 MET 56 19.517 14.609 9.365 1216 HE1 MET 56 HE1 MET 56 15.078 14.789 8.783 1217 HE2 MET 56 HE2 MET 56 16.163 14.684 7.375 1218 HE3 MET 56 HE3 MET 56 16.243 13.450 8.656 1219 H LYS 57 H LYS 57 21.061 16.110 4.975 1220 HA LYS 57 HA LYS 57 20.556 18.860 4.186 1221 HB2 LYS 57 HB1 LYS 57 22.622 18.969 4.834 1222 HB3 LYS 57 HB2 LYS 57 22.849 17.207 4.722 1223 HG2 LYS 57 HG1 LYS 57 22.999 18.968 2.273 1224 HG3 LYS 57 HG2 LYS 57 24.403 18.716 3.339 1225 HD2 LYS 57 HD1 LYS 57 24.505 16.423 2.884 1226 HD3 LYS 57 HD2 LYS 57 22.789 16.336 2.421 1227 HE2 LYS 57 HE1 LYS 57 23.237 17.495 0.336 1228 HE3 LYS 57 HE2 LYS 57 24.922 17.790 0.815 1229 HZ1 LYS 57 HZ1 LYS 57 24.731 15.916 -0.656 1230 HZ2 LYS 57 HZ2 LYS 57 25.268 15.421 0.824 1231 HZ3 LYS 57 HZ3 LYS 57 23.704 15.145 0.380 1232 H SER 58 H SER 58 20.086 15.815 2.591 1233 HA SER 58 HA SER 58 19.955 16.989 -0.046 1234 HB2 SER 58 HB1 SER 58 20.333 14.525 0.559 1235 HB3 SER 58 HB2 SER 58 18.569 14.442 0.779 1236 HG SER 58 HG SER 58 19.224 13.919 -1.361 1237 H LEU 59 H LEU 59 17.607 16.691 2.591 1238 HA LEU 59 HA LEU 59 15.377 17.831 1.140 1239 HB2 LEU 59 HB1 LEU 59 16.199 17.775 4.073 1240 HB3 LEU 59 HB2 LEU 59 14.639 18.401 3.489 1241 HG LEU 59 HG LEU 59 15.653 15.552 3.256 1242 HD11 LEU 59 HD11 LEU 59 13.828 15.057 4.844 1243 HD12 LEU 59 HD12 LEU 59 14.986 16.223 5.527 1244 HD13 LEU 59 HD13 LEU 59 13.415 16.787 4.908 1245 HD21 LEU 59 HD21 LEU 59 13.432 14.988 2.341 1246 HD22 LEU 59 HD22 LEU 59 12.993 16.710 2.353 1247 HD23 LEU 59 HD23 LEU 59 14.298 16.130 1.292 1248 H ASP 60 H ASP 60 17.928 19.190 3.257 1249 HA ASP 60 HA ASP 60 17.177 21.908 3.001 1250 HB2 ASP 60 HB1 ASP 60 19.002 20.371 4.449 1251 HB3 ASP 60 HB2 ASP 60 20.010 21.499 3.516 1252 H LYS 61 H LYS 61 18.899 19.925 0.716 1253 HA LYS 61 HA LYS 61 20.200 21.763 -0.931 1254 HB2 LYS 61 HB1 LYS 61 20.032 19.282 -0.994 1255 HB3 LYS 61 HB2 LYS 61 18.376 19.452 -1.626 1256 HG2 LYS 61 HG1 LYS 61 19.146 20.304 -3.705 1257 HG3 LYS 61 HG2 LYS 61 20.776 20.625 -3.067 1258 HD2 LYS 61 HD1 LYS 61 20.469 18.488 -4.496 1259 HD3 LYS 61 HD2 LYS 61 21.304 18.313 -2.935 1260 HE2 LYS 61 HE1 LYS 61 19.721 16.499 -3.185 1261 HE3 LYS 61 HE2 LYS 61 19.152 17.594 -1.906 1262 HZ1 LYS 61 HZ1 LYS 61 17.371 16.904 -3.342 1263 HZ2 LYS 61 HZ2 LYS 61 17.616 18.528 -3.475 1264 HZ3 LYS 61 HZ3 LYS 61 18.144 17.513 -4.663 1265 H ASN 62 H ASN 62 16.773 21.564 -0.344 1266 HA ASN 62 HA ASN 62 16.062 23.222 -2.706 1267 HB2 ASN 62 HB1 ASN 62 15.138 20.434 -1.977 1268 HB3 ASN 62 HB2 ASN 62 14.059 21.530 -2.868 1269 HD21 ASN 62 HD21 ASN 62 14.920 22.463 -4.921 1270 HD22 ASN 62 HD22 ASN 62 16.013 21.490 -5.886 1271 H SER 63 H SER 63 16.147 24.463 -0.089 1272 HA SER 63 HA SER 63 15.014 22.526 1.635 1273 HB2 SER 63 HB1 SER 63 15.523 24.287 3.407 1274 HB3 SER 63 HB2 SER 63 16.882 23.776 2.378 1275 HG SER 63 HG SER 63 16.791 26.054 2.666 1276 H ASP 64 H ASP 64 13.475 25.402 0.361 1277 HA ASP 64 HA ASP 64 11.539 25.395 2.617 1278 HB2 ASP 64 HB1 ASP 64 12.999 27.737 1.387 1279 HB3 ASP 64 HB2 ASP 64 11.571 27.909 2.431 1280 H GLN 65 H GLN 65 11.846 24.586 -0.409 1281 HA GLN 65 HA GLN 65 9.280 25.238 -1.518 1282 HB2 GLN 65 HB1 GLN 65 11.159 22.845 -1.681 1283 HB3 GLN 65 HB2 GLN 65 9.734 23.072 -2.721 1284 HG2 GLN 65 HG1 GLN 65 10.752 25.048 -3.731 1285 HG3 GLN 65 HG2 GLN 65 12.152 24.910 -2.646 1286 HE21 GLN 65 HE12 GLN 65 10.302 22.532 -4.690 1287 HE22 GLN 65 HE22 GLN 65 11.720 21.898 -5.488 1288 H GLU 66 H GLU 66 7.337 24.066 -1.328 1289 HA GLU 66 HA GLU 66 7.015 22.468 1.062 1290 HB2 GLU 66 HB1 GLU 66 5.116 23.250 -1.155 1291 HB3 GLU 66 HB2 GLU 66 4.646 22.215 0.214 1292 HG2 GLU 66 HG1 GLU 66 5.286 24.075 1.765 1293 HG3 GLU 66 HG2 GLU 66 5.592 25.101 0.347 1294 H ILE 67 H ILE 67 6.326 20.392 1.264 1295 HA ILE 67 HA ILE 67 6.282 18.554 -1.048 1296 HB ILE 67 HB ILE 67 7.202 16.866 0.810 1297 HG12 ILE 67 HG13 ILE 67 8.685 19.404 1.531 1298 HG13 ILE 67 HG12 ILE 67 7.496 18.574 2.562 1299 HG21 ILE 67 HG21 ILE 67 9.382 17.045 -0.302 1300 HG22 ILE 67 HG22 ILE 67 8.038 17.196 -1.458 1301 HG23 ILE 67 HG23 ILE 67 8.928 18.645 -0.933 1302 HD11 ILE 67 HD11 ILE 67 9.804 18.006 3.230 1303 HD12 ILE 67 HD12 ILE 67 8.938 16.579 2.621 1304 HD13 ILE 67 HD13 ILE 67 10.126 17.409 1.587 1305 H ASP 68 H ASP 68 5.025 16.678 -0.730 1306 HA ASP 68 HA ASP 68 3.065 16.801 1.492 1307 HB2 ASP 68 HB1 ASP 68 1.434 16.036 0.100 1308 HB3 ASP 68 HB2 ASP 68 2.447 16.902 -1.076 1309 H PHE 69 H PHE 69 2.043 14.330 1.422 1310 HA PHE 69 HA PHE 69 3.505 12.847 3.188 1311 HB2 PHE 69 HB1 PHE 69 1.585 11.743 1.120 1312 HB3 PHE 69 HB2 PHE 69 1.963 11.040 2.700 1313 HD1 PHE 69 HD2 PHE 69 1.285 12.363 4.800 1314 HD2 PHE 69 HD1 PHE 69 -0.211 13.205 0.844 1315 HE1 PHE 69 HE2 PHE 69 -0.759 13.383 5.786 1316 HE2 PHE 69 HE1 PHE 69 -2.244 14.245 1.834 1317 HZ PHE 69 HZ PHE 69 -2.539 14.270 4.300 1318 H LYS 70 H LYS 70 4.030 12.630 -0.401 1319 HA LYS 70 HA LYS 70 4.978 9.901 -0.245 1320 HB2 LYS 70 HB1 LYS 70 5.047 12.061 -2.339 1321 HB3 LYS 70 HB2 LYS 70 6.014 10.581 -2.548 1322 HG2 LYS 70 HG1 LYS 70 4.154 9.805 -3.589 1323 HG3 LYS 70 HG2 LYS 70 3.564 9.520 -1.935 1324 HD2 LYS 70 HD1 LYS 70 1.822 10.728 -3.010 1325 HD3 LYS 70 HD2 LYS 70 2.673 11.932 -2.014 1326 HE2 LYS 70 HE1 LYS 70 4.099 12.297 -4.220 1327 HE3 LYS 70 HE2 LYS 70 2.682 11.578 -5.012 1328 HZ1 LYS 70 HZ1 LYS 70 2.516 13.954 -4.880 1329 HZ2 LYS 70 HZ2 LYS 70 1.330 13.253 -3.973 1330 HZ3 LYS 70 HZ3 LYS 70 2.645 13.922 -3.236 1331 H GLU 71 H GLU 71 6.677 13.053 -0.658 1332 HA GLU 71 HA GLU 71 9.288 11.911 -0.596 1333 HB2 GLU 71 HB1 GLU 71 8.423 14.749 0.027 1334 HB3 GLU 71 HB2 GLU 71 10.078 14.210 -0.342 1335 HG2 GLU 71 HG1 GLU 71 8.678 13.199 -2.493 1336 HG3 GLU 71 HG2 GLU 71 7.781 14.696 -2.162 1337 H TYR 72 H TYR 72 7.067 12.845 1.915 1338 HA TYR 72 HA TYR 72 8.821 12.431 4.170 1339 HB2 TYR 72 HB1 TYR 72 6.956 13.820 4.448 1340 HB3 TYR 72 HB2 TYR 72 5.868 12.687 3.627 1341 HD1 TYR 72 HD1 TYR 72 8.135 12.435 6.642 1342 HD2 TYR 72 HD2 TYR 72 4.221 11.765 4.993 1343 HE1 TYR 72 HE1 TYR 72 7.263 11.978 8.922 1344 HE2 TYR 72 HE2 TYR 72 3.325 11.372 7.273 1345 HH TYR 72 HH TYR 72 3.761 11.440 9.518 1346 H SER 73 H SER 73 6.341 10.266 2.599 1347 HA SER 73 HA SER 73 6.780 8.161 4.482 1348 HB2 SER 73 HB1 SER 73 5.329 6.817 3.153 1349 HB3 SER 73 HB2 SER 73 4.672 8.470 3.227 1350 HG SER 73 HG SER 73 4.573 7.565 1.123 1351 H VAL 74 H VAL 74 8.229 8.832 1.257 1352 HA VAL 74 HA VAL 74 9.831 6.451 1.351 1353 HB VAL 74 HB VAL 74 11.185 7.323 -0.395 1354 HG11 VAL 74 HG11 VAL 74 9.490 7.584 -2.149 1355 HG12 VAL 74 HG12 VAL 74 9.050 6.323 -0.978 1356 HG13 VAL 74 HG13 VAL 74 8.265 7.920 -0.907 1357 HG21 VAL 74 HG21 VAL 74 10.926 9.535 -1.419 1358 HG22 VAL 74 HG22 VAL 74 9.766 9.977 -0.151 1359 HG23 VAL 74 HG23 VAL 74 11.462 9.638 0.270 1360 H PHE 75 H PHE 75 10.379 9.773 2.702 1361 HA PHE 75 HA PHE 75 13.121 9.160 3.372 1362 HB2 PHE 75 HB1 PHE 75 11.886 11.446 3.277 1363 HB3 PHE 75 HB2 PHE 75 11.397 11.066 4.937 1364 HD1 PHE 75 HD1 PHE 75 13.431 10.344 6.561 1365 HD2 PHE 75 HD2 PHE 75 13.875 12.530 2.883 1366 HE1 PHE 75 HE1 PHE 75 15.555 11.327 7.401 1367 HE2 PHE 75 HE2 PHE 75 15.997 13.500 3.716 1368 HZ PHE 75 HZ PHE 75 16.782 12.990 6.016 1369 H LEU 76 H LEU 76 10.043 8.961 5.271 1370 HA LEU 76 HA LEU 76 10.959 7.696 7.584 1371 HB2 LEU 76 HB1 LEU 76 8.434 7.496 5.927 1372 HB3 LEU 76 HB2 LEU 76 8.633 6.544 7.419 1373 HG LEU 76 HG LEU 76 8.738 9.579 7.285 1374 HD11 LEU 76 HD11 LEU 76 6.460 9.442 8.271 1375 HD12 LEU 76 HD12 LEU 76 6.508 8.665 6.670 1376 HD13 LEU 76 HD13 LEU 76 6.510 7.667 8.143 1377 HD21 LEU 76 HD21 LEU 76 8.491 9.421 9.743 1378 HD22 LEU 76 HD22 LEU 76 8.535 7.645 9.632 1379 HD23 LEU 76 HD23 LEU 76 9.971 8.602 9.193 1380 H THR 77 H THR 77 10.062 6.174 4.447 1381 HA THR 77 HA THR 77 10.537 3.471 5.260 1382 HB THR 77 HB THR 77 10.378 4.827 2.556 1383 HG1 THR 77 HG1 THR 77 8.334 3.798 2.647 1384 HG21 THR 77 HG21 THR 77 10.065 2.580 1.584 1385 HG22 THR 77 HG22 THR 77 11.678 2.751 2.313 1386 HG23 THR 77 HG23 THR 77 10.401 1.852 3.170 1387 H MET 78 H MET 78 12.539 5.780 3.413 1388 HA MET 78 HA MET 78 14.838 4.174 3.070 1389 HB2 MET 78 HB1 MET 78 14.311 6.213 1.815 1390 HB3 MET 78 HB2 MET 78 14.512 7.186 3.292 1391 HG2 MET 78 HG1 MET 78 16.818 6.879 3.335 1392 HG3 MET 78 HG2 MET 78 16.750 5.462 2.271 1393 HE1 MET 78 HE1 MET 78 15.567 9.501 0.305 1394 HE2 MET 78 HE2 MET 78 14.469 8.313 1.037 1395 HE3 MET 78 HE3 MET 78 15.526 9.307 2.069 1396 H LEU 79 H LEU 79 13.907 6.332 5.755 1397 HA LEU 79 HA LEU 79 16.344 5.989 7.254 1398 HB2 LEU 79 HB1 LEU 79 14.728 7.919 7.344 1399 HB3 LEU 79 HB2 LEU 79 13.579 6.844 8.178 1400 HG LEU 79 HG LEU 79 15.230 6.540 10.007 1401 HD11 LEU 79 HD11 LEU 79 17.208 8.029 10.113 1402 HD12 LEU 79 HD12 LEU 79 17.291 6.951 8.700 1403 HD13 LEU 79 HD13 LEU 79 16.823 8.655 8.492 1404 HD21 LEU 79 HD21 LEU 79 14.971 8.813 10.955 1405 HD22 LEU 79 HD22 LEU 79 14.567 9.443 9.339 1406 HD23 LEU 79 HD23 LEU 79 13.478 8.285 10.141 1407 H CYS 80 H CYS 80 13.075 4.437 7.446 1408 HA CYS 80 HA CYS 80 13.584 2.740 9.630 1409 HB2 CYS 80 HB1 CYS 80 11.386 3.068 8.729 1410 HB3 CYS 80 HB2 CYS 80 11.879 2.431 7.139 1411 HG CYS 80 HG CYS 80 10.299 0.721 8.334 1412 H MET 81 H MET 81 14.292 2.123 6.140 1413 HA MET 81 HA MET 81 15.616 -0.372 6.705 1414 HB2 MET 81 HB1 MET 81 16.100 -0.481 4.386 1415 HB3 MET 81 HB2 MET 81 14.453 0.167 4.581 1416 HG2 MET 81 HG1 MET 81 15.131 2.357 4.013 1417 HG3 MET 81 HG2 MET 81 16.848 1.970 4.214 1418 HE1 MET 81 HE1 MET 81 17.574 -0.311 1.167 1419 HE2 MET 81 HE2 MET 81 18.224 0.465 2.633 1420 HE3 MET 81 HE3 MET 81 17.003 -0.821 2.776 1421 H ALA 82 H ALA 82 16.722 2.763 7.317 1422 HA ALA 82 HA ALA 82 19.524 2.173 6.789 1423 HB1 ALA 82 HB1 ALA 82 19.932 4.379 7.820 1424 HB2 ALA 82 HB2 ALA 82 18.660 4.463 6.578 1425 HB3 ALA 82 HB3 ALA 82 18.221 4.466 8.303 1426 H TYR 83 H TYR 83 17.392 1.191 9.286 1427 HA TYR 83 HA TYR 83 19.625 0.173 10.797 1428 HB2 TYR 83 HB1 TYR 83 18.974 1.238 12.971 1429 HB3 TYR 83 HB2 TYR 83 19.734 2.296 11.770 1430 HD1 TYR 83 HD1 TYR 83 16.325 1.254 12.952 1431 HD2 TYR 83 HD2 TYR 83 18.832 4.454 11.520 1432 HE1 TYR 83 HE1 TYR 83 14.415 2.831 13.151 1433 HE2 TYR 83 HE2 TYR 83 16.895 6.004 11.604 1434 HH TYR 83 HH TYR 83 14.710 6.281 12.119 1435 H ASN 84 H ASN 84 16.318 -0.258 9.923 1436 HA ASN 84 HA ASN 84 15.962 -2.227 12.107 1437 HB2 ASN 84 HB1 ASN 84 14.086 -1.200 9.958 1438 HB3 ASN 84 HB2 ASN 84 13.689 -2.585 10.999 1439 HD21 ASN 84 HD21 ASN 84 13.116 0.630 10.652 1440 HD22 ASN 84 HD22 ASN 84 12.837 1.069 12.329 1441 H ASP 85 H ASP 85 16.783 -4.210 11.838 1442 HA ASP 85 HA ASP 85 17.245 -5.606 9.401 1443 HB2 ASP 85 HB1 ASP 85 16.886 -6.460 12.293 1444 HB3 ASP 85 HB2 ASP 85 17.228 -7.630 10.998 1445 H PHE 86 H PHE 86 14.187 -4.786 10.605 1446 HA PHE 86 HA PHE 86 12.763 -7.170 10.810 1447 HB2 PHE 86 HB1 PHE 86 12.211 -4.590 11.211 1448 HB3 PHE 86 HB2 PHE 86 11.415 -4.767 9.636 1449 HD1 PHE 86 HD1 PHE 86 9.710 -6.813 9.446 1450 HD2 PHE 86 HD2 PHE 86 11.028 -5.060 13.148 1451 HE1 PHE 86 HE1 PHE 86 7.700 -7.720 10.587 1452 HE2 PHE 86 HE2 PHE 86 8.984 -5.903 14.273 1453 HZ PHE 86 HZ PHE 86 7.312 -7.227 12.994 1454 H PHE 87 H PHE 87 13.688 -5.537 7.795 1455 HA PHE 87 HA PHE 87 12.668 -7.909 6.366 1456 HB2 PHE 87 HB1 PHE 87 11.811 -6.646 4.548 1457 HB3 PHE 87 HB2 PHE 87 11.041 -6.148 6.062 1458 HD1 PHE 87 HD1 PHE 87 11.854 -3.896 7.131 1459 HD2 PHE 87 HD2 PHE 87 12.700 -5.084 3.077 1460 HE1 PHE 87 HE1 PHE 87 12.050 -1.506 6.461 1461 HE2 PHE 87 HE2 PHE 87 12.972 -2.704 2.433 1462 HZ PHE 87 HZ PHE 87 12.568 -0.911 4.107 1463 H LEU 88 H LEU 88 15.127 -7.951 7.270 1464 HA LEU 88 HA LEU 88 17.131 -6.873 5.603 1465 HB2 LEU 88 HB1 LEU 88 18.658 -8.153 6.805 1466 HB3 LEU 88 HB2 LEU 88 17.371 -7.665 7.934 1467 HG LEU 88 HG LEU 88 17.964 -9.778 8.594 1468 HD11 LEU 88 HD11 LEU 88 16.094 -11.343 8.156 1469 HD12 LEU 88 HD12 LEU 88 15.521 -9.689 8.431 1470 HD13 LEU 88 HD13 LEU 88 15.600 -10.344 6.778 1471 HD21 LEU 88 HD21 LEU 88 18.274 -11.753 7.130 1472 HD22 LEU 88 HD22 LEU 88 17.872 -10.756 5.719 1473 HD23 LEU 88 HD23 LEU 88 19.343 -10.416 6.662 1474 H GLU 89 H GLU 89 18.857 -8.374 4.625 1475 HA GLU 89 HA GLU 89 17.461 -9.476 2.250 1476 HB2 GLU 89 HB1 GLU 89 20.256 -8.314 2.535 1477 HB3 GLU 89 HB2 GLU 89 19.446 -8.764 1.015 1478 HG2 GLU 89 HG1 GLU 89 17.668 -6.981 1.708 1479 HG3 GLU 89 HG2 GLU 89 18.927 -6.391 2.814 1480 H ASP 90 H ASP 90 20.084 -10.202 4.508 1481 HA ASP 90 HA ASP 90 20.821 -12.166 5.300 1482 HB2 ASP 90 HB1 ASP 90 18.347 -12.741 4.452 1483 HB3 ASP 90 HB2 ASP 90 19.257 -13.828 3.378 1484 H ASN 91 H ASN 91 21.168 -11.457 1.982 1485 HA ASN 91 HA ASN 91 23.233 -13.547 1.531 1486 HB2 ASN 91 HB1 ASN 91 21.154 -12.280 -0.268 1487 HB3 ASN 91 HB2 ASN 91 22.581 -13.101 -0.935 1488 HD21 ASN 91 HD21 ASN 91 19.819 -13.644 1.324 1489 HD22 ASN 91 HD22 ASN 91 19.646 -15.349 0.943 1490 H LYS 92 H LYS 92 23.615 -10.770 2.716 1491 HA LYS 92 HA LYS 92 25.844 -10.008 0.911 1492 HB2 LYS 92 HB1 LYS 92 23.842 -8.116 2.181 1493 HB3 LYS 92 HB2 LYS 92 25.440 -7.591 1.597 1494 HG2 LYS 92 HG1 LYS 92 24.284 -7.153 -0.302 1495 HG3 LYS 92 HG2 LYS 92 24.560 -8.887 -0.605 1496 HD2 LYS 92 HD1 LYS 92 22.308 -9.372 0.368 1497 HD3 LYS 92 HD2 LYS 92 22.038 -7.621 0.536 1498 HE2 LYS 92 HE1 LYS 92 22.484 -7.388 -1.938 1499 HE3 LYS 92 HE2 LYS 92 22.543 -9.161 -2.044 1500 HZ1 LYS 92 HZ1 LYS 92 20.389 -8.307 -2.615 1501 HZ2 LYS 92 HZ2 LYS 92 20.290 -9.219 -1.246 1502 HZ3 LYS 92 HZ3 LYS 92 20.237 -7.574 -1.147 Start of MODEL 29 1 HA MET 1 HA MET 1 13.479 4.848 21.415 2 HB2 MET 1 HB1 MET 1 13.293 7.156 19.780 3 HB3 MET 1 HB2 MET 1 11.906 7.226 20.893 4 HG2 MET 1 HG1 MET 1 14.822 6.870 21.661 5 HG3 MET 1 HG2 MET 1 13.870 8.354 21.837 6 HE1 MET 1 HE1 MET 1 11.788 7.940 24.956 7 HE2 MET 1 HE2 MET 1 12.696 9.051 23.908 8 HE3 MET 1 HE3 MET 1 11.360 8.087 23.236 9 H GLU 2 H GLU 2 11.636 5.274 23.065 10 HA GLU 2 HA GLU 2 9.065 4.258 22.209 11 HB2 GLU 2 HB1 GLU 2 9.773 4.043 24.512 12 HB3 GLU 2 HB2 GLU 2 9.892 5.811 24.675 13 HG2 GLU 2 HG1 GLU 2 7.817 4.657 25.669 14 HG3 GLU 2 HG2 GLU 2 7.552 6.090 24.652 15 H THR 3 H THR 3 8.294 5.335 20.467 16 HA THR 3 HA THR 3 6.903 7.840 21.112 17 HB THR 3 HB THR 3 7.460 9.072 19.329 18 HG1 THR 3 HG1 THR 3 8.172 8.228 17.325 19 HG21 THR 3 HG21 THR 3 9.854 9.034 18.728 20 HG22 THR 3 HG22 THR 3 9.604 8.796 20.467 21 HG23 THR 3 HG23 THR 3 9.987 7.408 19.420 22 HA PRO 4 HA PRO 4 3.615 5.505 19.252 23 HB2 PRO 4 HB1 PRO 4 1.862 7.333 18.252 24 HB3 PRO 4 HB2 PRO 4 2.205 7.187 20.006 25 HG2 PRO 4 HG1 PRO 4 3.426 9.138 18.043 26 HG3 PRO 4 HG2 PRO 4 2.701 9.503 19.643 27 HD2 PRO 4 HD1 PRO 4 5.403 9.172 19.285 28 HD3 PRO 4 HD2 PRO 4 4.579 8.621 20.775 29 H LEU 5 H LEU 5 5.214 7.826 16.991 30 HA LEU 5 HA LEU 5 4.164 6.491 14.655 31 HB2 LEU 5 HB1 LEU 5 5.061 8.894 14.769 32 HB3 LEU 5 HB2 LEU 5 6.680 8.162 14.654 33 HG LEU 5 HG LEU 5 5.689 6.853 12.619 34 HD11 LEU 5 HD11 LEU 5 3.912 8.048 11.372 35 HD12 LEU 5 HD12 LEU 5 3.330 7.496 12.957 36 HD13 LEU 5 HD13 LEU 5 3.757 9.205 12.713 37 HD21 LEU 5 HD21 LEU 5 6.280 8.674 11.070 38 HD22 LEU 5 HD22 LEU 5 6.167 9.843 12.404 39 HD23 LEU 5 HD23 LEU 5 7.423 8.580 12.427 40 H GLU 6 H GLU 6 7.119 6.017 16.637 41 HA GLU 6 HA GLU 6 8.384 4.009 15.159 42 HB2 GLU 6 HB1 GLU 6 8.962 4.929 17.479 43 HB3 GLU 6 HB2 GLU 6 7.738 3.810 18.125 44 HG2 GLU 6 HG1 GLU 6 9.696 2.581 18.373 45 HG3 GLU 6 HG2 GLU 6 9.089 1.990 16.810 46 H LYS 7 H LYS 7 5.273 3.826 16.996 47 HA LYS 7 HA LYS 7 5.023 0.974 16.614 48 HB2 LYS 7 HB1 LYS 7 2.752 2.874 17.208 49 HB3 LYS 7 HB2 LYS 7 2.894 1.149 17.620 50 HG2 LYS 7 HG1 LYS 7 4.444 3.445 18.843 51 HG3 LYS 7 HG2 LYS 7 3.148 2.497 19.610 52 HD2 LYS 7 HD1 LYS 7 4.642 0.438 19.260 53 HD3 LYS 7 HD2 LYS 7 5.947 1.579 18.861 54 HE2 LYS 7 HE1 LYS 7 4.276 1.941 21.352 55 HE3 LYS 7 HE2 LYS 7 5.656 0.821 21.344 56 HZ1 LYS 7 HZ1 LYS 7 6.281 2.994 22.108 57 HZ2 LYS 7 HZ2 LYS 7 7.052 2.647 20.693 58 HZ3 LYS 7 HZ3 LYS 7 5.772 3.687 20.702 59 H ALA 8 H ALA 8 4.133 3.795 14.686 60 HA ALA 8 HA ALA 8 2.407 2.409 12.844 61 HB1 ALA 8 HB1 ALA 8 2.599 4.495 11.546 62 HB2 ALA 8 HB2 ALA 8 2.268 4.827 13.262 63 HB3 ALA 8 HB3 ALA 8 3.912 5.042 12.616 64 H LEU 9 H LEU 9 5.893 3.439 12.643 65 HA LEU 9 HA LEU 9 6.365 2.144 10.146 66 HB2 LEU 9 HB1 LEU 9 8.095 3.097 12.402 67 HB3 LEU 9 HB2 LEU 9 8.797 2.091 11.113 68 HG LEU 9 HG LEU 9 9.249 4.406 10.696 69 HD11 LEU 9 HD11 LEU 9 8.365 4.674 8.405 70 HD12 LEU 9 HD12 LEU 9 8.870 3.002 8.725 71 HD13 LEU 9 HD13 LEU 9 7.143 3.429 8.742 72 HD21 LEU 9 HD21 LEU 9 7.521 6.108 10.253 73 HD22 LEU 9 HD22 LEU 9 6.263 4.922 10.657 74 HD23 LEU 9 HD23 LEU 9 7.409 5.470 11.904 75 H THR 10 H THR 10 6.794 0.947 13.545 76 HA THR 10 HA THR 10 7.453 -1.718 13.065 77 HB THR 10 HB THR 10 5.552 -0.621 15.161 78 HG1 THR 10 HG1 THR 10 7.486 -0.701 16.406 79 HG21 THR 10 HG21 THR 10 6.177 -2.623 16.491 80 HG22 THR 10 HG22 THR 10 5.367 -3.085 14.979 81 HG23 THR 10 HG23 THR 10 7.135 -3.225 15.122 82 H THR 11 H THR 11 4.138 -0.276 13.018 83 HA THR 11 HA THR 11 2.785 -2.711 12.413 84 HB THR 11 HB THR 11 1.948 0.120 11.723 85 HG1 THR 11 HG1 THR 11 0.724 -0.136 13.654 86 HG21 THR 11 HG21 THR 11 -0.352 -0.821 11.718 87 HG22 THR 11 HG22 THR 11 0.660 -1.601 10.483 88 HG23 THR 11 HG23 THR 11 0.316 -2.440 12.015 89 H MET 12 H MET 12 4.113 -0.145 10.239 90 HA MET 12 HA MET 12 3.249 -1.364 7.818 91 HB2 MET 12 HB1 MET 12 5.519 0.556 8.416 92 HB3 MET 12 HB2 MET 12 5.095 0.025 6.770 93 HG2 MET 12 HG1 MET 12 2.880 0.954 6.973 94 HG3 MET 12 HG2 MET 12 3.129 1.308 8.690 95 HE1 MET 12 HE1 MET 12 3.347 4.279 5.515 96 HE2 MET 12 HE2 MET 12 3.249 2.547 5.119 97 HE3 MET 12 HE3 MET 12 2.082 3.269 6.253 98 H VAL 13 H VAL 13 6.428 -1.724 9.581 99 HA VAL 13 HA VAL 13 7.440 -3.471 7.550 100 HB VAL 13 HB VAL 13 9.186 -4.176 9.076 101 HG11 VAL 13 HG11 VAL 13 10.287 -1.977 9.355 102 HG12 VAL 13 HG12 VAL 13 9.457 -2.099 7.790 103 HG13 VAL 13 HG13 VAL 13 8.720 -1.171 9.118 104 HG21 VAL 13 HG21 VAL 13 9.431 -3.213 11.335 105 HG22 VAL 13 HG22 VAL 13 7.840 -2.443 11.170 106 HG23 VAL 13 HG23 VAL 13 7.973 -4.217 11.203 107 H THR 14 H THR 14 5.407 -4.074 10.377 108 HA THR 14 HA THR 14 5.579 -6.930 10.358 109 HB THR 14 HB THR 14 3.319 -5.123 11.285 110 HG1 THR 14 HG1 THR 14 4.370 -5.514 13.294 111 HG21 THR 14 HG21 THR 14 2.691 -7.037 12.744 112 HG22 THR 14 HG22 THR 14 2.579 -7.482 11.027 113 HG23 THR 14 HG23 THR 14 3.971 -8.019 11.999 114 H THR 15 H THR 15 3.044 -4.724 8.949 115 HA THR 15 HA THR 15 1.696 -6.917 7.696 116 HB THR 15 HB THR 15 0.477 -5.154 6.384 117 HG1 THR 15 HG1 THR 15 0.844 -3.017 7.106 118 HG21 THR 15 HG21 THR 15 -0.741 -4.273 8.347 119 HG22 THR 15 HG22 THR 15 -0.375 -6.003 8.536 120 HG23 THR 15 HG23 THR 15 0.595 -4.787 9.402 121 H PHE 16 H PHE 16 4.200 -4.628 6.453 122 HA PHE 16 HA PHE 16 4.063 -5.622 3.777 123 HB2 PHE 16 HB1 PHE 16 5.171 -3.523 4.307 124 HB3 PHE 16 HB2 PHE 16 6.361 -4.369 5.312 125 HD1 PHE 16 HD2 PHE 16 8.145 -5.754 4.258 126 HD2 PHE 16 HD1 PHE 16 5.397 -3.441 1.892 127 HE1 PHE 16 HE2 PHE 16 9.615 -6.020 2.278 128 HE2 PHE 16 HE1 PHE 16 6.914 -3.630 -0.063 129 HZ PHE 16 HZ PHE 16 8.999 -4.984 0.104 130 H HIS 17 H HIS 17 6.303 -6.627 6.523 131 HA HIS 17 HA HIS 17 7.627 -8.596 4.973 132 HB2 HIS 17 HB1 HIS 17 8.537 -7.839 7.068 133 HB3 HIS 17 HB2 HIS 17 7.113 -8.408 7.956 134 HD1 HIS 17 HD1 HIS 17 6.896 -11.132 8.197 135 HD2 HIS 17 HD2 HIS 17 10.476 -9.642 6.590 136 HE1 HIS 17 HE1 HIS 17 8.506 -13.104 8.078 137 HE2 HIS 17 HE2 HIS 17 10.742 -12.204 7.198 138 H LYS 18 H LYS 18 4.473 -8.758 6.578 139 HA LYS 18 HA LYS 18 4.106 -11.580 6.414 140 HB2 LYS 18 HB1 LYS 18 2.957 -9.696 7.776 141 HB3 LYS 18 HB2 LYS 18 1.897 -9.543 6.356 142 HG2 LYS 18 HG1 LYS 18 2.233 -12.293 7.391 143 HG3 LYS 18 HG2 LYS 18 1.418 -11.158 8.494 144 HD2 LYS 18 HD1 LYS 18 0.094 -10.635 6.162 145 HD3 LYS 18 HD2 LYS 18 0.476 -12.361 5.947 146 HE2 LYS 18 HE1 LYS 18 -1.670 -12.237 7.035 147 HE3 LYS 18 HE2 LYS 18 -0.491 -12.767 8.256 148 HZ1 LYS 18 HZ1 LYS 18 -1.935 -11.053 9.099 149 HZ2 LYS 18 HZ2 LYS 18 -0.380 -10.503 9.039 150 HZ3 LYS 18 HZ3 LYS 18 -1.474 -10.011 7.907 151 H TYR 19 H TYR 19 4.160 -9.306 3.845 152 HA TYR 19 HA TYR 19 3.489 -11.478 1.931 153 HB2 TYR 19 HB1 TYR 19 2.894 -8.538 1.456 154 HB3 TYR 19 HB2 TYR 19 2.558 -9.891 0.364 155 HD1 TYR 19 HD1 TYR 19 1.715 -8.612 3.755 156 HD2 TYR 19 HD2 TYR 19 0.274 -10.596 0.224 157 HE1 TYR 19 HE1 TYR 19 -0.495 -8.856 4.825 158 HE2 TYR 19 HE2 TYR 19 -1.980 -10.794 1.263 159 HH TYR 19 HH TYR 19 -3.190 -10.604 3.224 160 H SER 20 H SER 20 5.580 -11.999 1.627 161 HA SER 20 HA SER 20 7.707 -11.103 0.299 162 HB2 SER 20 HB1 SER 20 7.838 -9.860 3.075 163 HB3 SER 20 HB2 SER 20 9.251 -10.106 2.023 164 HG SER 20 HG SER 20 8.441 -7.963 1.938 165 H GLY 21 H GLY 21 7.224 -11.797 3.782 166 HA2 GLY 21 HA2 GLY 21 8.428 -14.077 3.216 167 H ARG 22 H ARG 22 5.988 -14.142 2.702 168 HA ARG 22 HA ARG 22 6.009 -17.005 3.410 169 HB2 ARG 22 HB1 ARG 22 3.507 -17.034 3.012 170 HB3 ARG 22 HB2 ARG 22 4.176 -16.504 4.574 171 HG2 ARG 22 HG1 ARG 22 2.197 -15.310 3.990 172 HG3 ARG 22 HG2 ARG 22 3.618 -14.243 4.103 173 HD2 ARG 22 HD1 ARG 22 1.822 -13.727 2.369 174 HD3 ARG 22 HD2 ARG 22 3.528 -13.664 1.876 175 HE ARG 22 HE ARG 22 2.688 -16.212 1.199 176 HH11 ARG 22 HH12 ARG 22 1.982 -12.910 0.095 177 HH12 ARG 22 HH11 ARG 22 1.254 -13.461 -1.389 178 HH21 ARG 22 HH22 ARG 22 1.595 -16.840 -0.657 179 HH22 ARG 22 HH21 ARG 22 1.040 -15.642 -1.803 180 H GLU 23 H GLU 23 7.320 -15.672 1.316 181 HA GLU 23 HA GLU 23 6.328 -17.122 -1.055 182 HB2 GLU 23 HB1 GLU 23 7.290 -14.234 -1.058 183 HB3 GLU 23 HB2 GLU 23 6.885 -15.206 -2.493 184 HG2 GLU 23 HG1 GLU 23 4.968 -14.014 -2.349 185 HG3 GLU 23 HG2 GLU 23 4.525 -15.336 -1.247 186 H GLY 24 H GLY 24 8.978 -15.105 0.377 187 HA2 GLY 24 HA2 GLY 24 10.682 -16.400 0.607 188 H SER 25 H SER 25 11.739 -13.860 -1.457 189 HA SER 25 HA SER 25 13.680 -13.237 0.511 190 HB2 SER 25 HB1 SER 25 13.566 -12.478 -1.961 191 HB3 SER 25 HB2 SER 25 12.518 -11.167 -1.366 192 HG SER 25 HG SER 25 14.750 -10.595 -1.366 193 H LYS 26 H LYS 26 13.642 -11.995 2.427 194 HA LYS 26 HA LYS 26 10.930 -11.606 3.398 195 HB2 LYS 26 HB1 LYS 26 13.690 -11.343 4.595 196 HB3 LYS 26 HB2 LYS 26 12.210 -10.990 5.519 197 HG2 LYS 26 HG1 LYS 26 11.465 -13.228 5.408 198 HG3 LYS 26 HG2 LYS 26 12.574 -13.625 4.074 199 HD2 LYS 26 HD1 LYS 26 13.155 -14.558 6.379 200 HD3 LYS 26 HD2 LYS 26 14.449 -13.708 5.501 201 HE2 LYS 26 HE1 LYS 26 14.500 -13.105 7.855 202 HE3 LYS 26 HE2 LYS 26 14.042 -11.694 6.876 203 HZ1 LYS 26 HZ1 LYS 26 12.690 -11.897 8.828 204 HZ2 LYS 26 HZ2 LYS 26 11.770 -12.095 7.475 205 HZ3 LYS 26 HZ3 LYS 26 12.194 -13.404 8.384 206 H LEU 27 H LEU 27 12.432 -9.601 1.399 207 HA LEU 27 HA LEU 27 11.583 -7.087 2.695 208 HB2 LEU 27 HB1 LEU 27 13.657 -6.007 1.954 209 HB3 LEU 27 HB2 LEU 27 13.969 -7.356 3.073 210 HG LEU 27 HG LEU 27 14.069 -8.079 0.195 211 HD11 LEU 27 HD11 LEU 27 16.320 -7.071 -0.135 212 HD12 LEU 27 HD12 LEU 27 15.090 -5.812 0.123 213 HD13 LEU 27 HD13 LEU 27 16.190 -6.267 1.446 214 HD21 LEU 27 HD21 LEU 27 16.107 -9.281 0.959 215 HD22 LEU 27 HD22 LEU 27 15.981 -8.484 2.544 216 HD23 LEU 27 HD23 LEU 27 14.725 -9.631 2.022 217 H THR 28 H THR 28 11.279 -8.961 -0.113 218 HA THR 28 HA THR 28 10.080 -6.665 -1.520 219 HB THR 28 HB THR 28 10.892 -7.449 -3.701 220 HG1 THR 28 HG1 THR 28 12.682 -8.884 -3.721 221 HG21 THR 28 HG21 THR 28 13.217 -6.615 -3.556 222 HG22 THR 28 HG22 THR 28 12.106 -5.613 -2.603 223 HG23 THR 28 HG23 THR 28 13.162 -6.793 -1.791 224 H LEU 29 H LEU 29 8.568 -7.359 -3.232 225 HA LEU 29 HA LEU 29 7.531 -10.068 -3.180 226 HB2 LEU 29 HB1 LEU 29 5.396 -9.678 -2.251 227 HB3 LEU 29 HB2 LEU 29 6.595 -9.052 -1.095 228 HG LEU 29 HG LEU 29 5.177 -7.256 -3.049 229 HD11 LEU 29 HD11 LEU 29 3.516 -6.656 -1.305 230 HD12 LEU 29 HD12 LEU 29 3.403 -8.368 -1.756 231 HD13 LEU 29 HD13 LEU 29 4.207 -7.896 -0.240 232 HD21 LEU 29 HD21 LEU 29 5.646 -5.472 -1.391 233 HD22 LEU 29 HD22 LEU 29 6.402 -6.676 -0.328 234 HD23 LEU 29 HD23 LEU 29 7.133 -6.295 -1.906 235 H SER 30 H SER 30 5.333 -10.091 -4.600 236 HA SER 30 HA SER 30 6.160 -8.750 -7.072 237 HB2 SER 30 HB1 SER 30 5.318 -11.231 -6.745 238 HB3 SER 30 HB2 SER 30 3.709 -10.485 -6.904 239 HG SER 30 HG SER 30 4.584 -11.151 -8.924 240 H ARG 31 H ARG 31 4.805 -7.433 -8.429 241 HA ARG 31 HA ARG 31 3.415 -5.357 -7.247 242 HB2 ARG 31 HB1 ARG 31 2.499 -6.394 -9.912 243 HB3 ARG 31 HB2 ARG 31 2.663 -4.713 -9.350 244 HG2 ARG 31 HG1 ARG 31 5.087 -6.400 -9.867 245 HG3 ARG 31 HG2 ARG 31 4.214 -5.606 -11.201 246 HD2 ARG 31 HD1 ARG 31 5.093 -4.048 -8.778 247 HD3 ARG 31 HD2 ARG 31 6.222 -4.387 -10.106 248 HE ARG 31 HE ARG 31 3.955 -3.382 -11.342 249 HH11 ARG 31 HH12 ARG 31 6.010 -2.078 -8.790 250 HH12 ARG 31 HH11 ARG 31 5.808 -0.429 -9.331 251 HH21 ARG 31 HH22 ARG 31 3.797 -1.276 -12.054 252 HH22 ARG 31 HH21 ARG 31 4.565 0.020 -11.165 253 H LYS 32 H LYS 32 1.979 -8.436 -8.436 254 HA LYS 32 HA LYS 32 -0.743 -7.917 -8.144 255 HB2 LYS 32 HB1 LYS 32 0.922 -10.401 -7.681 256 HB3 LYS 32 HB2 LYS 32 -0.853 -10.414 -7.548 257 HG2 LYS 32 HG1 LYS 32 -0.935 -9.476 -9.910 258 HG3 LYS 32 HG2 LYS 32 0.819 -9.765 -10.008 259 HD2 LYS 32 HD1 LYS 32 0.537 -12.125 -9.678 260 HD3 LYS 32 HD2 LYS 32 -1.170 -11.924 -9.224 261 HE2 LYS 32 HE1 LYS 32 -1.250 -12.761 -11.422 262 HE3 LYS 32 HE2 LYS 32 -1.510 -11.015 -11.612 263 HZ1 LYS 32 HZ1 LYS 32 0.061 -11.855 -13.196 264 HZ2 LYS 32 HZ2 LYS 32 0.799 -10.795 -12.172 265 HZ3 LYS 32 HZ3 LYS 32 1.042 -12.417 -11.995 266 H GLU 33 H GLU 33 1.467 -9.170 -5.644 267 HA GLU 33 HA GLU 33 -0.461 -9.482 -3.594 268 HB2 GLU 33 HB1 GLU 33 2.522 -9.099 -3.247 269 HB3 GLU 33 HB2 GLU 33 1.400 -9.968 -2.173 270 HG2 GLU 33 HG1 GLU 33 2.388 -10.831 -4.904 271 HG3 GLU 33 HG2 GLU 33 2.753 -11.570 -3.330 272 H LEU 34 H LEU 34 1.811 -6.752 -4.278 273 HA LEU 34 HA LEU 34 1.302 -5.138 -2.043 274 HB2 LEU 34 HB1 LEU 34 3.000 -4.505 -3.549 275 HB3 LEU 34 HB2 LEU 34 1.902 -4.568 -4.948 276 HG LEU 34 HG LEU 34 0.770 -2.525 -4.131 277 HD11 LEU 34 HD11 LEU 34 1.815 -1.159 -2.349 278 HD12 LEU 34 HD12 LEU 34 1.263 -2.727 -1.720 279 HD13 LEU 34 HD13 LEU 34 2.991 -2.459 -2.050 280 HD21 LEU 34 HD21 LEU 34 2.619 -0.960 -4.679 281 HD22 LEU 34 HD22 LEU 34 3.799 -2.264 -4.408 282 HD23 LEU 34 HD23 LEU 34 2.639 -2.378 -5.753 283 H LYS 35 H LYS 35 -0.576 -5.323 -5.124 284 HA LYS 35 HA LYS 35 -2.577 -3.458 -4.400 285 HB2 LYS 35 HB1 LYS 35 -3.128 -3.912 -6.507 286 HB3 LYS 35 HB2 LYS 35 -2.016 -5.302 -6.510 287 HG2 LYS 35 HG1 LYS 35 -3.769 -6.802 -5.834 288 HG3 LYS 35 HG2 LYS 35 -4.888 -5.451 -5.537 289 HD2 LYS 35 HD1 LYS 35 -5.252 -6.803 -7.663 290 HD3 LYS 35 HD2 LYS 35 -5.166 -5.033 -7.842 291 HE2 LYS 35 HE1 LYS 35 -2.850 -5.182 -8.584 292 HE3 LYS 35 HE2 LYS 35 -2.838 -6.936 -8.295 293 HZ1 LYS 35 HZ1 LYS 35 -3.191 -6.415 -10.596 294 HZ2 LYS 35 HZ2 LYS 35 -4.526 -7.157 -9.973 295 HZ3 LYS 35 HZ3 LYS 35 -4.537 -5.529 -10.240 296 H GLU 36 H GLU 36 -2.180 -6.867 -3.564 297 HA GLU 36 HA GLU 36 -4.960 -7.195 -2.833 298 HB2 GLU 36 HB1 GLU 36 -3.356 -8.888 -3.967 299 HB3 GLU 36 HB2 GLU 36 -2.743 -9.185 -2.323 300 HG2 GLU 36 HG1 GLU 36 -4.531 -10.771 -2.833 301 HG3 GLU 36 HG2 GLU 36 -5.062 -9.647 -1.564 302 H LEU 37 H LEU 37 -1.867 -6.925 -1.067 303 HA LEU 37 HA LEU 37 -2.672 -7.317 1.582 304 HB2 LEU 37 HB1 LEU 37 -0.405 -6.926 0.533 305 HB3 LEU 37 HB2 LEU 37 -0.813 -5.195 0.456 306 HG LEU 37 HG LEU 37 -0.616 -6.781 3.028 307 HD11 LEU 37 HD11 LEU 37 1.624 -5.715 3.254 308 HD12 LEU 37 HD12 LEU 37 1.541 -6.727 1.793 309 HD13 LEU 37 HD13 LEU 37 1.420 -4.956 1.657 310 HD21 LEU 37 HD21 LEU 37 -0.371 -4.574 4.126 311 HD22 LEU 37 HD22 LEU 37 -0.576 -3.777 2.553 312 HD23 LEU 37 HD23 LEU 37 -1.920 -4.701 3.268 313 H ILE 38 H ILE 38 -3.045 -4.466 -0.491 314 HA ILE 38 HA ILE 38 -4.324 -2.756 1.431 315 HB ILE 38 HB ILE 38 -4.015 -2.690 -1.580 316 HG12 ILE 38 HG13 ILE 38 -2.644 -1.013 0.558 317 HG13 ILE 38 HG12 ILE 38 -1.982 -2.555 -0.033 318 HG21 ILE 38 HG21 ILE 38 -4.634 -0.294 -1.501 319 HG22 ILE 38 HG22 ILE 38 -5.980 -1.330 -0.979 320 HG23 ILE 38 HG23 ILE 38 -5.009 -0.454 0.229 321 HD11 ILE 38 HD11 ILE 38 -0.940 -0.635 -1.193 322 HD12 ILE 38 HD12 ILE 38 -1.882 -1.637 -2.320 323 HD13 ILE 38 HD13 ILE 38 -2.546 -0.093 -1.729 324 H LYS 39 H LYS 39 -5.604 -5.293 -0.613 325 HA LYS 39 HA LYS 39 -8.368 -4.667 0.197 326 HB2 LYS 39 HB1 LYS 39 -6.934 -6.476 -1.701 327 HB3 LYS 39 HB2 LYS 39 -8.456 -7.098 -1.020 328 HG2 LYS 39 HG1 LYS 39 -8.883 -6.020 -3.133 329 HG3 LYS 39 HG2 LYS 39 -9.619 -5.080 -1.812 330 HD2 LYS 39 HD1 LYS 39 -7.867 -3.413 -1.949 331 HD3 LYS 39 HD2 LYS 39 -6.971 -4.391 -3.136 332 HE2 LYS 39 HE1 LYS 39 -9.781 -3.299 -3.579 333 HE3 LYS 39 HE2 LYS 39 -8.297 -2.507 -4.155 334 HZ1 LYS 39 HZ1 LYS 39 -9.297 -3.864 -5.853 335 HZ2 LYS 39 HZ2 LYS 39 -7.821 -4.472 -5.438 336 HZ3 LYS 39 HZ3 LYS 39 -9.197 -5.208 -4.903 337 H LYS 40 H LYS 40 -5.716 -6.399 1.606 338 HA LYS 40 HA LYS 40 -7.471 -8.366 2.952 339 HB2 LYS 40 HB1 LYS 40 -4.461 -8.022 2.840 340 HB3 LYS 40 HB2 LYS 40 -5.278 -9.221 3.871 341 HG2 LYS 40 HG1 LYS 40 -4.901 -9.182 0.906 342 HG3 LYS 40 HG2 LYS 40 -4.542 -10.463 2.089 343 HD2 LYS 40 HD1 LYS 40 -6.370 -11.396 1.126 344 HD3 LYS 40 HD2 LYS 40 -7.202 -10.408 2.349 345 HE2 LYS 40 HE1 LYS 40 -8.123 -9.045 0.793 346 HE3 LYS 40 HE2 LYS 40 -6.617 -8.951 -0.146 347 HZ1 LYS 40 HZ1 LYS 40 -8.367 -10.011 -1.373 348 HZ2 LYS 40 HZ2 LYS 40 -7.144 -11.081 -1.085 349 HZ3 LYS 40 HZ3 LYS 40 -8.542 -11.168 -0.213 350 H GLU 41 H GLU 41 -4.897 -6.099 3.757 351 HA GLU 41 HA GLU 41 -5.766 -5.959 6.593 352 HB2 GLU 41 HB1 GLU 41 -2.880 -5.762 5.675 353 HB3 GLU 41 HB2 GLU 41 -3.502 -5.994 7.325 354 HG2 GLU 41 HG1 GLU 41 -4.623 -8.122 6.382 355 HG3 GLU 41 HG2 GLU 41 -3.532 -7.922 4.995 356 H LEU 42 H LEU 42 -5.059 -3.997 3.757 357 HA LEU 42 HA LEU 42 -6.542 -2.005 5.425 358 HB2 LEU 42 HB1 LEU 42 -4.463 -1.655 3.560 359 HB3 LEU 42 HB2 LEU 42 -5.946 -1.233 2.671 360 HG LEU 42 HG LEU 42 -5.172 -0.040 5.354 361 HD11 LEU 42 HD11 LEU 42 -4.466 1.954 4.056 362 HD12 LEU 42 HD12 LEU 42 -3.502 0.525 3.615 363 HD13 LEU 42 HD13 LEU 42 -4.806 1.086 2.540 364 HD21 LEU 42 HD21 LEU 42 -6.840 1.699 4.789 365 HD22 LEU 42 HD22 LEU 42 -7.217 0.843 3.279 366 HD23 LEU 42 HD23 LEU 42 -7.582 0.085 4.847 367 H CYS 43 H CYS 43 -8.599 -1.181 4.103 368 HA CYS 43 HA CYS 43 -9.181 -2.802 1.720 369 HB2 CYS 43 HB1 CYS 43 -10.390 -3.867 3.686 370 HB3 CYS 43 HB2 CYS 43 -11.363 -2.378 3.783 371 HG CYS 43 HG CYS 43 -12.702 -4.233 2.498 372 H LEU 44 H LEU 44 -10.123 -1.701 0.112 373 HA LEU 44 HA LEU 44 -11.069 1.063 0.457 374 HB2 LEU 44 HB1 LEU 44 -8.564 0.248 -1.047 375 HB3 LEU 44 HB2 LEU 44 -9.431 1.765 -1.389 376 HG LEU 44 HG LEU 44 -8.368 1.010 1.353 377 HD11 LEU 44 HD11 LEU 44 -6.498 2.530 0.821 378 HD12 LEU 44 HD12 LEU 44 -6.554 1.154 -0.309 379 HD13 LEU 44 HD13 LEU 44 -7.146 2.752 -0.824 380 HD21 LEU 44 HD21 LEU 44 -8.615 3.418 1.830 381 HD22 LEU 44 HD22 LEU 44 -9.277 3.671 0.199 382 HD23 LEU 44 HD23 LEU 44 -10.171 2.684 1.379 383 H GLY 45 H GLY 45 -11.582 -1.853 -0.871 384 HA2 GLY 45 HA2 GLY 45 -12.646 -0.598 -2.948 385 H GLU 46 H GLU 46 -13.863 -0.192 -1.095 386 HA GLU 46 HA GLU 46 -16.616 -0.975 -1.862 387 HB2 GLU 46 HB1 GLU 46 -16.858 -0.512 0.791 388 HB3 GLU 46 HB2 GLU 46 -16.615 -2.123 0.074 389 HG2 GLU 46 HG1 GLU 46 -15.264 -1.808 2.085 390 HG3 GLU 46 HG2 GLU 46 -14.252 -2.055 0.645 391 H MET 47 H MET 47 -14.448 1.498 -0.425 392 HA MET 47 HA MET 47 -16.513 3.557 -0.472 393 HB2 MET 47 HB1 MET 47 -13.549 3.525 0.119 394 HB3 MET 47 HB2 MET 47 -14.515 5.021 0.098 395 HG2 MET 47 HG1 MET 47 -15.886 4.177 1.943 396 HG3 MET 47 HG2 MET 47 -14.966 2.662 1.953 397 HE1 MET 47 HE1 MET 47 -11.588 3.437 3.361 398 HE2 MET 47 HE2 MET 47 -12.884 2.236 3.125 399 HE3 MET 47 HE3 MET 47 -12.129 3.018 1.714 400 H LYS 48 H LYS 48 -13.604 2.750 -2.453 401 HA LYS 48 HA LYS 48 -14.282 4.960 -4.345 402 HB2 LYS 48 HB1 LYS 48 -11.687 3.823 -3.292 403 HB3 LYS 48 HB2 LYS 48 -11.733 4.636 -4.875 404 HG2 LYS 48 HG1 LYS 48 -10.984 6.213 -3.299 405 HG3 LYS 48 HG2 LYS 48 -12.653 6.645 -3.738 406 HD2 LYS 48 HD1 LYS 48 -12.181 7.046 -1.369 407 HD3 LYS 48 HD2 LYS 48 -13.455 5.824 -1.592 408 HE2 LYS 48 HE1 LYS 48 -12.022 4.044 -0.997 409 HE3 LYS 48 HE2 LYS 48 -10.556 5.013 -1.267 410 HZ1 LYS 48 HZ1 LYS 48 -10.999 4.697 1.060 411 HZ2 LYS 48 HZ2 LYS 48 -11.125 6.294 0.671 412 HZ3 LYS 48 HZ3 LYS 48 -12.485 5.394 0.920 413 H GLU 49 H GLU 49 -14.111 4.560 -6.562 414 HA GLU 49 HA GLU 49 -13.686 1.757 -7.446 415 HB2 GLU 49 HB1 GLU 49 -15.249 2.674 -9.411 416 HB3 GLU 49 HB2 GLU 49 -15.874 1.871 -7.951 417 HG2 GLU 49 HG1 GLU 49 -17.216 3.821 -8.660 418 HG3 GLU 49 HG2 GLU 49 -16.564 3.978 -7.015 419 H SER 50 H SER 50 -13.487 5.193 -8.516 420 HA SER 50 HA SER 50 -11.801 4.351 -10.782 421 HB2 SER 50 HB1 SER 50 -12.302 6.656 -11.645 422 HB3 SER 50 HB2 SER 50 -13.705 5.571 -11.487 423 HG SER 50 HG SER 50 -14.127 7.687 -10.717 424 H SER 51 H SER 51 -10.008 5.752 -11.427 425 HA SER 51 HA SER 51 -7.901 6.492 -11.078 426 HB2 SER 51 HB1 SER 51 -9.184 8.326 -9.755 427 HB3 SER 51 HB2 SER 51 -8.559 7.492 -8.312 428 HG SER 51 HG SER 51 -7.153 9.147 -9.061 429 H ILE 52 H ILE 52 -9.226 5.011 -8.077 430 HA ILE 52 HA ILE 52 -6.797 3.676 -7.373 431 HB ILE 52 HB ILE 52 -7.970 2.571 -5.697 432 HG12 ILE 52 HG13 ILE 52 -10.569 2.899 -5.530 433 HG13 ILE 52 HG12 ILE 52 -10.467 2.955 -7.307 434 HG21 ILE 52 HG21 ILE 52 -9.205 4.417 -4.576 435 HG22 ILE 52 HG22 ILE 52 -7.748 5.016 -5.396 436 HG23 ILE 52 HG23 ILE 52 -9.349 5.257 -6.135 437 HD11 ILE 52 HD11 ILE 52 -11.013 0.670 -6.518 438 HD12 ILE 52 HD12 ILE 52 -9.431 0.719 -7.320 439 HD13 ILE 52 HD13 ILE 52 -9.529 0.660 -5.544 440 H ASP 53 H ASP 53 -9.488 2.752 -9.532 441 HA ASP 53 HA ASP 53 -8.660 0.151 -10.160 442 HB2 ASP 53 HB1 ASP 53 -10.650 0.993 -11.231 443 HB3 ASP 53 HB2 ASP 53 -9.746 2.314 -12.003 444 H ASP 54 H ASP 54 -7.402 3.297 -11.586 445 HA ASP 54 HA ASP 54 -5.732 1.817 -13.355 446 HB2 ASP 54 HB1 ASP 54 -6.509 4.419 -13.319 447 HB3 ASP 54 HB2 ASP 54 -4.810 4.560 -12.820 448 H LEU 55 H LEU 55 -5.144 2.988 -10.054 449 HA LEU 55 HA LEU 55 -2.389 2.222 -10.015 450 HB2 LEU 55 HB1 LEU 55 -4.406 2.316 -7.763 451 HB3 LEU 55 HB2 LEU 55 -2.635 2.265 -7.594 452 HG LEU 55 HG LEU 55 -4.291 4.526 -8.761 453 HD11 LEU 55 HD11 LEU 55 -3.451 5.770 -6.784 454 HD12 LEU 55 HD12 LEU 55 -4.362 4.323 -6.294 455 HD13 LEU 55 HD13 LEU 55 -2.584 4.315 -6.240 456 HD21 LEU 55 HD21 LEU 55 -2.163 5.788 -8.930 457 HD22 LEU 55 HD22 LEU 55 -1.270 4.344 -8.407 458 HD23 LEU 55 HD23 LEU 55 -2.139 4.340 -9.960 459 H MET 56 H MET 56 -5.306 0.342 -8.933 460 HA MET 56 HA MET 56 -4.082 -2.131 -8.443 461 HB2 MET 56 HB1 MET 56 -6.828 -1.454 -9.568 462 HB3 MET 56 HB2 MET 56 -6.363 -3.072 -8.994 463 HG2 MET 56 HG1 MET 56 -6.172 -0.655 -7.208 464 HG3 MET 56 HG2 MET 56 -7.705 -1.513 -7.433 465 HE1 MET 56 HE1 MET 56 -4.311 -2.507 -4.648 466 HE2 MET 56 HE2 MET 56 -3.980 -1.784 -6.241 467 HE3 MET 56 HE3 MET 56 -5.054 -0.951 -5.091 468 H LYS 57 H LYS 57 -4.738 -0.658 -11.500 469 HA LYS 57 HA LYS 57 -4.553 -3.122 -13.125 470 HB2 LYS 57 HB1 LYS 57 -6.543 -1.677 -13.133 471 HB3 LYS 57 HB2 LYS 57 -5.534 -0.309 -13.660 472 HG2 LYS 57 HG1 LYS 57 -5.665 -2.723 -15.396 473 HG3 LYS 57 HG2 LYS 57 -7.084 -1.650 -15.312 474 HD2 LYS 57 HD1 LYS 57 -4.277 -0.963 -16.204 475 HD3 LYS 57 HD2 LYS 57 -5.763 -0.992 -17.185 476 HE2 LYS 57 HE1 LYS 57 -5.020 0.998 -15.025 477 HE3 LYS 57 HE2 LYS 57 -5.115 1.289 -16.777 478 HZ1 LYS 57 HZ1 LYS 57 -7.009 2.181 -15.624 479 HZ2 LYS 57 HZ2 LYS 57 -7.473 0.971 -16.637 480 HZ3 LYS 57 HZ3 LYS 57 -7.386 0.702 -15.013 481 H SER 58 H SER 58 -2.787 -0.159 -12.430 482 HA SER 58 HA SER 58 -0.852 -0.471 -14.569 483 HB2 SER 58 HB1 SER 58 -1.447 1.752 -13.668 484 HB3 SER 58 HB2 SER 58 -0.746 1.291 -12.099 485 HG SER 58 HG SER 58 0.729 2.454 -13.427 486 H LEU 59 H LEU 59 -0.920 -1.353 -11.061 487 HA LEU 59 HA LEU 59 1.766 -2.192 -10.816 488 HB2 LEU 59 HB1 LEU 59 -0.837 -3.198 -9.622 489 HB3 LEU 59 HB2 LEU 59 0.750 -3.834 -9.129 490 HG LEU 59 HG LEU 59 -0.354 -1.043 -8.755 491 HD11 LEU 59 HD11 LEU 59 0.033 -1.573 -6.375 492 HD12 LEU 59 HD12 LEU 59 -1.033 -2.773 -7.142 493 HD13 LEU 59 HD13 LEU 59 0.675 -3.167 -6.833 494 HD21 LEU 59 HD21 LEU 59 1.799 -0.383 -7.752 495 HD22 LEU 59 HD22 LEU 59 2.496 -1.948 -8.223 496 HD23 LEU 59 HD23 LEU 59 1.978 -0.791 -9.473 497 H ASP 60 H ASP 60 -1.051 -3.878 -11.992 498 HA ASP 60 HA ASP 60 0.149 -6.374 -12.650 499 HB2 ASP 60 HB1 ASP 60 -2.376 -5.363 -12.203 500 HB3 ASP 60 HB2 ASP 60 -2.390 -5.628 -13.960 501 H LYS 61 H LYS 61 0.909 -3.532 -14.214 502 HA LYS 61 HA LYS 61 0.933 -4.698 -16.899 503 HB2 LYS 61 HB1 LYS 61 2.319 -2.219 -15.853 504 HB3 LYS 61 HB2 LYS 61 2.137 -2.689 -17.558 505 HG2 LYS 61 HG1 LYS 61 -0.214 -2.166 -15.741 506 HG3 LYS 61 HG2 LYS 61 0.593 -0.880 -16.667 507 HD2 LYS 61 HD1 LYS 61 -1.419 -1.547 -17.778 508 HD3 LYS 61 HD2 LYS 61 -0.004 -2.013 -18.751 509 HE2 LYS 61 HE1 LYS 61 -1.857 -3.678 -18.769 510 HE3 LYS 61 HE2 LYS 61 -0.303 -4.329 -18.207 511 HZ1 LYS 61 HZ1 LYS 61 -2.117 -5.059 -16.837 512 HZ2 LYS 61 HZ2 LYS 61 -1.093 -4.108 -15.963 513 HZ3 LYS 61 HZ3 LYS 61 -2.536 -3.504 -16.484 514 H ASN 62 H ASN 62 3.379 -4.188 -14.302 515 HA ASN 62 HA ASN 62 5.291 -5.918 -15.730 516 HB2 ASN 62 HB1 ASN 62 5.613 -5.220 -12.837 517 HB3 ASN 62 HB2 ASN 62 6.832 -5.331 -14.124 518 HD21 ASN 62 HD21 ASN 62 7.631 -3.441 -14.930 519 HD22 ASN 62 HD22 ASN 62 6.909 -1.861 -14.680 520 H SER 63 H SER 63 3.282 -5.928 -12.850 521 HA SER 63 HA SER 63 2.127 -7.332 -11.660 522 HB2 SER 63 HB1 SER 63 1.417 -7.906 -14.138 523 HB3 SER 63 HB2 SER 63 2.115 -9.491 -13.730 524 HG SER 63 HG SER 63 -0.109 -9.330 -13.172 525 H ASP 64 H ASP 64 4.438 -9.518 -13.255 526 HA ASP 64 HA ASP 64 4.648 -11.174 -10.805 527 HB2 ASP 64 HB1 ASP 64 5.124 -11.821 -13.737 528 HB3 ASP 64 HB2 ASP 64 5.364 -12.952 -12.388 529 H GLN 65 H GLN 65 5.902 -8.974 -10.514 530 HA GLN 65 HA GLN 65 8.798 -9.317 -10.956 531 HB2 GLN 65 HB1 GLN 65 7.033 -7.028 -11.904 532 HB3 GLN 65 HB2 GLN 65 8.796 -6.881 -11.702 533 HG2 GLN 65 HG1 GLN 65 7.439 -8.845 -13.580 534 HG3 GLN 65 HG2 GLN 65 8.057 -7.251 -14.063 535 HE21 GLN 65 HE12 GLN 65 9.055 -10.478 -12.826 536 HE22 GLN 65 HE22 GLN 65 10.716 -10.337 -13.350 537 H GLU 66 H GLU 66 9.985 -7.645 -9.647 538 HA GLU 66 HA GLU 66 8.553 -7.729 -7.112 539 HB2 GLU 66 HB1 GLU 66 11.476 -7.190 -7.672 540 HB3 GLU 66 HB2 GLU 66 10.741 -7.331 -6.056 541 HG2 GLU 66 HG1 GLU 66 10.116 -9.645 -6.489 542 HG3 GLU 66 HG2 GLU 66 10.671 -9.521 -8.173 543 H ILE 67 H ILE 67 7.976 -6.172 -5.841 544 HA ILE 67 HA ILE 67 9.137 -3.480 -6.181 545 HB ILE 67 HB ILE 67 6.979 -2.797 -4.819 546 HG12 ILE 67 HG13 ILE 67 4.939 -3.766 -5.960 547 HG13 ILE 67 HG12 ILE 67 5.955 -5.146 -6.439 548 HG21 ILE 67 HG21 ILE 67 6.026 -2.073 -6.991 549 HG22 ILE 67 HG22 ILE 67 7.794 -1.894 -6.968 550 HG23 ILE 67 HG23 ILE 67 7.048 -3.263 -7.826 551 HD11 ILE 67 HD11 ILE 67 4.692 -5.641 -4.382 552 HD12 ILE 67 HD12 ILE 67 6.442 -5.609 -4.072 553 HD13 ILE 67 HD13 ILE 67 5.427 -4.227 -3.594 554 H ASP 68 H ASP 68 9.158 -2.216 -4.209 555 HA ASP 68 HA ASP 68 10.163 -3.808 -1.907 556 HB2 ASP 68 HB1 ASP 68 12.051 -2.428 -1.839 557 HB3 ASP 68 HB2 ASP 68 11.773 -2.586 -3.587 558 H PHE 69 H PHE 69 10.610 -2.091 -0.013 559 HA PHE 69 HA PHE 69 8.145 -1.230 1.029 560 HB2 PHE 69 HB1 PHE 69 10.684 -1.634 1.953 561 HB3 PHE 69 HB2 PHE 69 10.587 0.134 2.006 562 HD1 PHE 69 HD1 PHE 69 8.501 1.171 3.245 563 HD2 PHE 69 HD2 PHE 69 9.739 -2.937 3.621 564 HE1 PHE 69 HE1 PHE 69 7.251 0.993 5.384 565 HE2 PHE 69 HE2 PHE 69 8.469 -3.120 5.745 566 HZ PHE 69 HZ PHE 69 7.249 -1.153 6.640 567 H LYS 70 H LYS 70 10.361 0.584 -1.083 568 HA LYS 70 HA LYS 70 9.312 3.214 -0.441 569 HB2 LYS 70 HB1 LYS 70 11.582 2.679 -1.368 570 HB3 LYS 70 HB2 LYS 70 10.796 2.206 -2.893 571 HG2 LYS 70 HG1 LYS 70 9.850 4.810 -2.311 572 HG3 LYS 70 HG2 LYS 70 11.598 4.836 -1.977 573 HD2 LYS 70 HD1 LYS 70 11.286 5.444 -4.295 574 HD3 LYS 70 HD2 LYS 70 11.962 3.798 -4.257 575 HE2 LYS 70 HE1 LYS 70 9.629 2.897 -4.464 576 HE3 LYS 70 HE2 LYS 70 9.043 4.563 -4.651 577 HZ1 LYS 70 HZ1 LYS 70 9.312 3.473 -6.757 578 HZ2 LYS 70 HZ2 LYS 70 10.363 4.736 -6.631 579 HZ3 LYS 70 HZ3 LYS 70 10.907 3.189 -6.457 580 H GLU 71 H GLU 71 8.955 0.977 -3.223 581 HA GLU 71 HA GLU 71 6.937 2.319 -4.668 582 HB2 GLU 71 HB1 GLU 71 7.684 -0.603 -4.307 583 HB3 GLU 71 HB2 GLU 71 6.424 -0.071 -5.446 584 HG2 GLU 71 HG1 GLU 71 9.150 1.217 -5.521 585 HG3 GLU 71 HG2 GLU 71 8.908 -0.374 -6.273 586 H TYR 72 H TYR 72 6.753 0.005 -1.966 587 HA TYR 72 HA TYR 72 3.910 -0.199 -1.818 588 HB2 TYR 72 HB1 TYR 72 5.217 -1.851 -0.821 589 HB3 TYR 72 HB2 TYR 72 6.251 -0.673 0.006 590 HD1 TYR 72 HD1 TYR 72 2.925 -2.352 0.085 591 HD2 TYR 72 HD2 TYR 72 5.753 0.105 2.208 592 HE1 TYR 72 HE1 TYR 72 1.823 -2.947 2.228 593 HE2 TYR 72 HE2 TYR 72 4.653 -0.481 4.359 594 HH TYR 72 HH TYR 72 3.077 -1.810 5.383 595 H SER 73 H SER 73 6.193 1.915 0.022 596 HA SER 73 HA SER 73 4.136 3.283 1.429 597 HB2 SER 73 HB1 SER 73 5.958 4.916 1.981 598 HB3 SER 73 HB2 SER 73 6.312 3.215 2.369 599 HG SER 73 HG SER 73 8.060 4.276 1.344 600 H VAL 74 H VAL 74 5.822 4.241 -1.678 601 HA VAL 74 HA VAL 74 4.424 6.724 -1.802 602 HB VAL 74 HB VAL 74 4.937 6.894 -4.134 603 HG11 VAL 74 HG11 VAL 74 7.383 6.973 -4.001 604 HG12 VAL 74 HG12 VAL 74 6.609 7.569 -2.518 605 HG13 VAL 74 HG13 VAL 74 7.326 5.939 -2.558 606 HG21 VAL 74 HG21 VAL 74 6.255 5.271 -5.417 607 HG22 VAL 74 HG22 VAL 74 6.146 4.134 -4.062 608 HG23 VAL 74 HG23 VAL 74 4.676 4.627 -4.934 609 H PHE 75 H PHE 75 3.478 3.462 -2.847 610 HA PHE 75 HA PHE 75 1.182 4.308 -4.384 611 HB2 PHE 75 HB1 PHE 75 2.424 2.134 -4.593 612 HB3 PHE 75 HB2 PHE 75 1.761 1.657 -3.023 613 HD1 PHE 75 HD1 PHE 75 -0.817 1.430 -2.807 614 HD2 PHE 75 HD2 PHE 75 1.229 1.831 -6.575 615 HE1 PHE 75 HE1 PHE 75 -2.759 0.409 -3.974 616 HE2 PHE 75 HE2 PHE 75 -0.723 0.843 -7.736 617 HZ PHE 75 HZ PHE 75 -2.695 0.065 -6.435 618 H LEU 76 H LEU 76 1.539 2.923 -1.040 619 HA LEU 76 HA LEU 76 -1.088 3.262 -0.146 620 HB2 LEU 76 HB1 LEU 76 1.594 3.499 1.250 621 HB3 LEU 76 HB2 LEU 76 0.046 3.572 2.127 622 HG LEU 76 HG LEU 76 0.878 1.224 0.389 623 HD11 LEU 76 HD11 LEU 76 1.500 0.127 2.521 624 HD12 LEU 76 HD12 LEU 76 2.488 1.582 2.235 625 HD13 LEU 76 HD13 LEU 76 1.145 1.635 3.402 626 HD21 LEU 76 HD21 LEU 76 -0.870 0.022 1.664 627 HD22 LEU 76 HD22 LEU 76 -1.249 1.516 2.551 628 HD23 LEU 76 HD23 LEU 76 -1.549 1.420 0.798 629 H THR 77 H THR 77 1.597 5.661 -0.027 630 HA THR 77 HA THR 77 0.077 7.758 1.154 631 HB THR 77 HB THR 77 2.595 7.785 -0.530 632 HG1 THR 77 HG1 THR 77 3.444 8.023 1.588 633 HG21 THR 77 HG21 THR 77 2.973 10.036 0.419 634 HG22 THR 77 HG22 THR 77 1.509 10.004 -0.591 635 HG23 THR 77 HG23 THR 77 1.368 9.982 1.184 636 H MET 78 H MET 78 0.889 7.170 -2.318 637 HA MET 78 HA MET 78 -0.518 9.294 -3.473 638 HB2 MET 78 HB1 MET 78 1.012 7.664 -4.562 639 HB3 MET 78 HB2 MET 78 -0.265 6.430 -4.448 640 HG2 MET 78 HG1 MET 78 -1.484 7.332 -6.165 641 HG3 MET 78 HG2 MET 78 -0.849 8.966 -5.913 642 HE1 MET 78 HE1 MET 78 1.595 5.494 -7.827 643 HE2 MET 78 HE2 MET 78 1.226 5.599 -6.091 644 HE3 MET 78 HE3 MET 78 -0.085 5.336 -7.266 645 H LEU 79 H LEU 79 -1.749 6.118 -2.503 646 HA LEU 79 HA LEU 79 -4.443 6.537 -3.453 647 HB2 LEU 79 HB1 LEU 79 -3.229 4.417 -3.442 648 HB3 LEU 79 HB2 LEU 79 -3.122 4.480 -1.665 649 HG LEU 79 HG LEU 79 -5.454 4.097 -1.428 650 HD11 LEU 79 HD11 LEU 79 -7.001 3.754 -3.331 651 HD12 LEU 79 HD12 LEU 79 -6.342 5.403 -3.320 652 HD13 LEU 79 HD13 LEU 79 -5.701 4.194 -4.457 653 HD21 LEU 79 HD21 LEU 79 -5.619 1.858 -2.498 654 HD22 LEU 79 HD22 LEU 79 -4.290 2.289 -3.598 655 HD23 LEU 79 HD23 LEU 79 -3.986 2.143 -1.850 656 H CYS 80 H CYS 80 -2.834 6.990 -0.264 657 HA CYS 80 HA CYS 80 -5.208 7.461 1.241 658 HB2 CYS 80 HB1 CYS 80 -2.973 6.928 2.151 659 HB3 CYS 80 HB2 CYS 80 -2.378 8.516 1.603 660 HG CYS 80 HG CYS 80 -2.722 8.543 4.196 661 H MET 81 H MET 81 -3.102 9.805 -0.560 662 HA MET 81 HA MET 81 -4.657 12.095 0.097 663 HB2 MET 81 HB1 MET 81 -2.706 11.430 -2.094 664 HB3 MET 81 HB2 MET 81 -3.624 12.955 -2.144 665 HG2 MET 81 HG1 MET 81 -1.588 13.502 -1.127 666 HG3 MET 81 HG2 MET 81 -2.761 13.405 0.194 667 HE1 MET 81 HE1 MET 81 -1.218 11.152 2.708 668 HE2 MET 81 HE2 MET 81 -1.757 12.815 2.390 669 HE3 MET 81 HE3 MET 81 -2.825 11.444 2.009 670 H ALA 82 H ALA 82 -5.343 9.487 -2.129 671 HA ALA 82 HA ALA 82 -7.036 10.967 -3.907 672 HB1 ALA 82 HB1 ALA 82 -7.555 8.749 -4.848 673 HB2 ALA 82 HB2 ALA 82 -5.809 8.961 -4.588 674 HB3 ALA 82 HB3 ALA 82 -6.765 7.975 -3.456 675 H TYR 83 H TYR 83 -7.692 10.346 -0.752 676 HA TYR 83 HA TYR 83 -10.432 11.115 -1.062 677 HB2 TYR 83 HB1 TYR 83 -11.359 9.165 0.286 678 HB3 TYR 83 HB2 TYR 83 -10.975 8.873 -1.419 679 HD1 TYR 83 HD2 TYR 83 -9.847 8.229 2.093 680 HD2 TYR 83 HD1 TYR 83 -9.407 7.240 -2.071 681 HE1 TYR 83 HE2 TYR 83 -8.054 6.601 2.668 682 HE2 TYR 83 HE1 TYR 83 -7.891 5.376 -1.464 683 HH TYR 83 HH TYR 83 -6.505 5.107 1.840 684 H ASN 84 H ASN 84 -7.613 10.915 0.908 685 HA ASN 84 HA ASN 84 -8.934 11.911 3.281 686 HB2 ASN 84 HB1 ASN 84 -6.072 11.712 2.389 687 HB3 ASN 84 HB2 ASN 84 -6.510 12.668 3.821 688 HD21 ASN 84 HD21 ASN 84 -5.693 11.414 5.450 689 HD22 ASN 84 HD22 ASN 84 -6.183 9.759 5.769 690 H ASP 85 H ASP 85 -9.457 13.317 0.570 691 HA ASP 85 HA ASP 85 -8.686 16.030 1.146 692 HB2 ASP 85 HB1 ASP 85 -10.138 16.640 -0.697 693 HB3 ASP 85 HB2 ASP 85 -9.011 15.331 -1.119 694 H PHE 86 H PHE 86 -11.205 14.018 2.443 695 HA PHE 86 HA PHE 86 -12.725 15.972 3.757 696 HB2 PHE 86 HB1 PHE 86 -11.651 13.258 4.488 697 HB3 PHE 86 HB2 PHE 86 -12.494 14.221 5.712 698 HD1 PHE 86 HD2 PHE 86 -12.876 12.543 2.393 699 HD2 PHE 86 HD1 PHE 86 -14.866 14.509 5.668 700 HE1 PHE 86 HE2 PHE 86 -15.076 11.799 1.510 701 HE2 PHE 86 HE1 PHE 86 -17.061 13.751 4.792 702 HZ PHE 86 HZ PHE 86 -17.171 12.396 2.711 703 H PHE 87 H PHE 87 -9.261 15.442 4.057 704 HA PHE 87 HA PHE 87 -9.138 17.306 6.350 705 HB2 PHE 87 HB1 PHE 87 -6.996 15.614 5.022 706 HB3 PHE 87 HB2 PHE 87 -6.730 16.693 6.402 707 HD1 PHE 87 HD1 PHE 87 -7.554 16.114 8.641 708 HD2 PHE 87 HD2 PHE 87 -8.131 13.461 5.299 709 HE1 PHE 87 HE1 PHE 87 -8.069 14.256 10.205 710 HE2 PHE 87 HE2 PHE 87 -8.635 11.598 6.865 711 HZ PHE 87 HZ PHE 87 -8.601 11.993 9.318 712 H LEU 88 H LEU 88 -9.230 17.634 2.980 713 HA LEU 88 HA LEU 88 -7.270 19.763 2.767 714 HB2 LEU 88 HB1 LEU 88 -9.023 18.277 0.948 715 HB3 LEU 88 HB2 LEU 88 -8.870 20.005 0.546 716 HG LEU 88 HG LEU 88 -7.275 18.420 -0.591 717 HD11 LEU 88 HD11 LEU 88 -5.363 19.990 -0.429 718 HD12 LEU 88 HD12 LEU 88 -6.914 20.854 -0.501 719 HD13 LEU 88 HD13 LEU 88 -6.064 20.677 1.052 720 HD21 LEU 88 HD21 LEU 88 -5.216 17.743 0.593 721 HD22 LEU 88 HD22 LEU 88 -5.896 18.368 2.109 722 HD23 LEU 88 HD23 LEU 88 -6.658 16.982 1.293 723 H GLU 89 H GLU 89 -10.667 19.735 2.233 724 HA GLU 89 HA GLU 89 -12.121 21.556 3.299 725 HB2 GLU 89 HB1 GLU 89 -9.958 23.086 1.939 726 HB3 GLU 89 HB2 GLU 89 -11.625 23.664 1.710 727 HG2 GLU 89 HG1 GLU 89 -11.700 24.549 3.763 728 HG3 GLU 89 HG2 GLU 89 -11.085 23.058 4.508 729 H ASP 90 H ASP 90 -10.735 21.863 -0.011 730 HA ASP 90 HA ASP 90 -12.266 19.616 -0.964 731 HB2 ASP 90 HB1 ASP 90 -14.029 21.120 -1.442 732 HB3 ASP 90 HB2 ASP 90 -12.917 22.367 -2.048 733 H ASN 91 H ASN 91 -10.837 22.386 -2.731 734 HA ASN 91 HA ASN 91 -9.713 20.870 -4.750 735 HB2 ASN 91 HB1 ASN 91 -9.679 23.655 -3.830 736 HB3 ASN 91 HB2 ASN 91 -8.209 23.195 -4.717 737 HD21 ASN 91 HD21 ASN 91 -11.675 22.223 -5.257 738 HD22 ASN 91 HD22 ASN 91 -11.725 22.820 -6.912 739 H LYS 92 H LYS 92 -8.551 19.189 -4.176 740 HA LYS 92 HA LYS 92 -5.807 19.423 -3.207 741 HB2 LYS 92 HB1 LYS 92 -5.689 17.031 -4.085 742 HB3 LYS 92 HB2 LYS 92 -6.781 17.349 -2.716 743 HG2 LYS 92 HG1 LYS 92 -7.974 17.424 -5.457 744 HG3 LYS 92 HG2 LYS 92 -7.479 15.835 -4.826 745 HD2 LYS 92 HD1 LYS 92 -9.279 15.714 -3.508 746 HD3 LYS 92 HD2 LYS 92 -8.945 17.316 -2.810 747 HE2 LYS 92 HE1 LYS 92 -10.071 18.307 -4.880 748 HE3 LYS 92 HE2 LYS 92 -10.614 16.657 -5.259 749 HZ1 LYS 92 HZ1 LYS 92 -12.244 17.858 -3.986 750 HZ2 LYS 92 HZ2 LYS 92 -11.675 16.581 -3.109 751 HZ3 LYS 92 HZ3 LYS 92 -11.172 18.112 -2.757 752 HA MET 1 HA MET 1 -8.980 2.946 9.416 753 HB2 MET 1 HB1 MET 1 -8.416 4.829 10.829 754 HB3 MET 1 HB2 MET 1 -9.004 5.248 9.201 755 HG2 MET 1 HG1 MET 1 -10.615 5.430 11.755 756 HG3 MET 1 HG2 MET 1 -9.776 6.781 10.975 757 HE1 MET 1 HE1 MET 1 -11.881 7.060 7.562 758 HE2 MET 1 HE2 MET 1 -10.466 7.669 8.446 759 HE3 MET 1 HE3 MET 1 -10.479 6.001 7.824 760 H GLU 2 H GLU 2 -9.979 0.939 10.186 761 HA GLU 2 HA GLU 2 -9.240 0.855 13.070 762 HB2 GLU 2 HB1 GLU 2 -10.838 -1.335 11.735 763 HB3 GLU 2 HB2 GLU 2 -10.699 -0.939 13.464 764 HG2 GLU 2 HG1 GLU 2 -12.852 -0.220 12.998 765 HG3 GLU 2 HG2 GLU 2 -11.926 1.279 12.764 766 H THR 3 H THR 3 -8.387 0.117 9.837 767 HA THR 3 HA THR 3 -7.379 -2.551 10.344 768 HB THR 3 HB THR 3 -7.156 -2.864 8.211 769 HG1 THR 3 HG1 THR 3 -5.992 -1.478 6.825 770 HG21 THR 3 HG21 THR 3 -8.354 -1.415 6.628 771 HG22 THR 3 HG22 THR 3 -9.261 -1.646 8.135 772 HG23 THR 3 HG23 THR 3 -8.381 -0.125 7.846 773 HA PRO 4 HA PRO 4 -3.527 -1.542 12.137 774 HB2 PRO 4 HB1 PRO 4 -1.743 -3.391 11.112 775 HB3 PRO 4 HB2 PRO 4 -2.989 -3.754 12.348 776 HG2 PRO 4 HG1 PRO 4 -3.133 -4.226 9.372 777 HG3 PRO 4 HG2 PRO 4 -3.607 -5.343 10.693 778 HD2 PRO 4 HD1 PRO 4 -5.435 -3.822 9.345 779 HD3 PRO 4 HD2 PRO 4 -5.599 -4.130 11.099 780 H LEU 5 H LEU 5 -3.077 -2.222 8.577 781 HA LEU 5 HA LEU 5 -0.921 -0.378 8.326 782 HB2 LEU 5 HB1 LEU 5 -1.415 -2.232 6.781 783 HB3 LEU 5 HB2 LEU 5 -2.869 -1.367 6.228 784 HG LEU 5 HG LEU 5 -1.535 0.407 5.276 785 HD11 LEU 5 HD11 LEU 5 0.945 0.376 5.285 786 HD12 LEU 5 HD12 LEU 5 0.298 0.515 6.934 787 HD13 LEU 5 HD13 LEU 5 0.921 -1.046 6.349 788 HD21 LEU 5 HD21 LEU 5 -0.317 -0.915 3.568 789 HD22 LEU 5 HD22 LEU 5 -0.370 -2.341 4.631 790 HD23 LEU 5 HD23 LEU 5 -1.878 -1.670 3.966 791 H GLU 6 H GLU 6 -4.472 0.107 7.742 792 HA GLU 6 HA GLU 6 -4.297 2.826 7.012 793 HB2 GLU 6 HB1 GLU 6 -6.366 1.301 6.989 794 HB3 GLU 6 HB2 GLU 6 -6.546 1.708 8.711 795 HG2 GLU 6 HG1 GLU 6 -6.604 4.103 8.152 796 HG3 GLU 6 HG2 GLU 6 -6.383 3.716 6.432 797 H LYS 7 H LYS 7 -4.286 1.342 10.291 798 HA LYS 7 HA LYS 7 -4.381 3.837 11.694 799 HB2 LYS 7 HB1 LYS 7 -5.139 1.938 12.791 800 HB3 LYS 7 HB2 LYS 7 -3.684 0.999 12.376 801 HG2 LYS 7 HG1 LYS 7 -3.516 3.370 14.224 802 HG3 LYS 7 HG2 LYS 7 -4.049 1.778 14.818 803 HD2 LYS 7 HD1 LYS 7 -1.383 2.445 13.521 804 HD3 LYS 7 HD2 LYS 7 -1.675 2.067 15.237 805 HE2 LYS 7 HE1 LYS 7 -2.110 0.143 12.931 806 HE3 LYS 7 HE2 LYS 7 -0.667 0.186 13.967 807 HZ1 LYS 7 HZ1 LYS 7 -2.220 -1.482 14.676 808 HZ2 LYS 7 HZ2 LYS 7 -2.070 -0.317 15.832 809 HZ3 LYS 7 HZ3 LYS 7 -3.409 -0.357 14.871 810 H ALA 8 H ALA 8 -1.662 2.021 10.259 811 HA ALA 8 HA ALA 8 0.403 3.596 11.455 812 HB1 ALA 8 HB1 ALA 8 1.815 2.710 9.644 813 HB2 ALA 8 HB2 ALA 8 0.821 1.431 10.379 814 HB3 ALA 8 HB3 ALA 8 0.364 2.119 8.801 815 H LEU 9 H LEU 9 -1.179 3.899 8.208 816 HA LEU 9 HA LEU 9 -0.091 6.413 7.523 817 HB2 LEU 9 HB1 LEU 9 -2.676 5.034 6.795 818 HB3 LEU 9 HB2 LEU 9 -2.270 6.654 6.177 819 HG LEU 9 HG LEU 9 -1.783 5.193 4.453 820 HD11 LEU 9 HD11 LEU 9 0.660 5.319 4.106 821 HD12 LEU 9 HD12 LEU 9 0.014 6.819 4.802 822 HD13 LEU 9 HD13 LEU 9 0.879 5.656 5.837 823 HD21 LEU 9 HD21 LEU 9 -0.427 3.138 4.594 824 HD22 LEU 9 HD22 LEU 9 -0.246 3.388 6.343 825 HD23 LEU 9 HD23 LEU 9 -1.853 3.062 5.648 826 H THR 10 H THR 10 -2.915 5.606 9.569 827 HA THR 10 HA THR 10 -3.977 8.223 9.866 828 HB THR 10 HB THR 10 -4.045 5.944 11.870 829 HG1 THR 10 HG1 THR 10 -6.098 5.601 10.888 830 HG21 THR 10 HG21 THR 10 -6.099 7.073 12.698 831 HG22 THR 10 HG22 THR 10 -4.681 8.135 12.849 832 HG23 THR 10 HG23 THR 10 -5.845 8.385 11.526 833 H THR 11 H THR 11 -1.567 6.408 11.829 834 HA THR 11 HA THR 11 -0.996 8.431 13.722 835 HB THR 11 HB THR 11 1.078 6.512 12.653 836 HG1 THR 11 HG1 THR 11 0.270 5.042 14.237 837 HG21 THR 11 HG21 THR 11 1.855 6.500 15.022 838 HG22 THR 11 HG22 THR 11 1.829 8.149 14.364 839 HG23 THR 11 HG23 THR 11 0.530 7.601 15.451 840 H MET 12 H MET 12 0.563 7.697 10.554 841 HA MET 12 HA MET 12 2.407 9.815 10.490 842 HB2 MET 12 HB1 MET 12 0.938 8.414 8.244 843 HB3 MET 12 HB2 MET 12 2.208 9.631 7.973 844 HG2 MET 12 HG1 MET 12 3.854 8.243 9.061 845 HG3 MET 12 HG2 MET 12 2.613 7.074 9.551 846 HE1 MET 12 HE1 MET 12 5.263 6.124 6.357 847 HE2 MET 12 HE2 MET 12 5.421 7.643 7.268 848 HE3 MET 12 HE3 MET 12 5.228 6.101 8.134 849 H VAL 13 H VAL 13 -0.918 9.870 8.921 850 HA VAL 13 HA VAL 13 -0.647 12.574 8.143 851 HB VAL 13 HB VAL 13 -3.046 12.704 7.829 852 HG11 VAL 13 HG11 VAL 13 -3.265 10.980 6.074 853 HG12 VAL 13 HG12 VAL 13 -1.655 11.729 6.070 854 HG13 VAL 13 HG13 VAL 13 -1.885 10.110 6.771 855 HG21 VAL 13 HG21 VAL 13 -4.566 10.801 8.176 856 HG22 VAL 13 HG22 VAL 13 -3.253 9.912 8.966 857 HG23 VAL 13 HG23 VAL 13 -3.892 11.401 9.701 858 H THR 14 H THR 14 -1.871 11.216 11.200 859 HA THR 14 HA THR 14 -2.975 13.620 12.269 860 HB THR 14 HB THR 14 -1.828 11.209 13.720 861 HG1 THR 14 HG1 THR 14 -4.044 10.585 13.689 862 HG21 THR 14 HG21 THR 14 -3.389 11.851 15.541 863 HG22 THR 14 HG22 THR 14 -2.207 13.141 15.227 864 HG23 THR 14 HG23 THR 14 -3.871 13.288 14.613 865 H THR 15 H THR 15 0.265 12.129 12.606 866 HA THR 15 HA THR 15 1.307 14.176 14.370 867 HB THR 15 HB THR 15 2.879 12.142 12.751 868 HG1 THR 15 HG1 THR 15 2.572 10.816 14.611 869 HG21 THR 15 HG21 THR 15 4.418 12.241 14.698 870 HG22 THR 15 HG22 THR 15 4.209 13.848 13.967 871 HG23 THR 15 HG23 THR 15 3.353 13.435 15.473 872 H PHE 16 H PHE 16 1.843 13.380 10.887 873 HA PHE 16 HA PHE 16 3.506 15.475 10.128 874 HB2 PHE 16 HB1 PHE 16 2.859 13.545 8.756 875 HB3 PHE 16 HB2 PHE 16 1.207 14.172 8.631 876 HD1 PHE 16 HD1 PHE 16 0.804 16.331 7.349 877 HD2 PHE 16 HD2 PHE 16 4.547 14.212 7.208 878 HE1 PHE 16 HE1 PHE 16 1.433 17.553 5.288 879 HE2 PHE 16 HE2 PHE 16 5.125 15.369 5.091 880 HZ PHE 16 HZ PHE 16 3.545 17.024 4.102 881 H HIS 17 H HIS 17 -0.077 15.587 10.550 882 HA HIS 17 HA HIS 17 -0.529 18.096 9.381 883 HB2 HIS 17 HB1 HIS 17 -2.230 16.402 10.092 884 HB3 HIS 17 HB2 HIS 17 -1.978 16.919 11.769 885 HD1 HIS 17 HD1 HIS 17 -2.827 19.510 12.319 886 HD2 HIS 17 HD2 HIS 17 -3.802 17.875 8.575 887 HE1 HIS 17 HE1 HIS 17 -4.681 20.973 11.348 888 HE2 HIS 17 HE2 HIS 17 -5.288 19.999 9.058 889 H LYS 18 H LYS 18 0.590 17.422 12.747 890 HA LYS 18 HA LYS 18 0.313 19.970 13.877 891 HB2 LYS 18 HB1 LYS 18 0.915 17.938 15.052 892 HB3 LYS 18 HB2 LYS 18 2.462 17.856 14.176 893 HG2 LYS 18 HG1 LYS 18 1.802 20.093 16.085 894 HG3 LYS 18 HG2 LYS 18 2.502 18.547 16.623 895 HD2 LYS 18 HD1 LYS 18 4.543 19.264 16.147 896 HD3 LYS 18 HD2 LYS 18 4.076 19.547 14.453 897 HE2 LYS 18 HE1 LYS 18 3.215 21.846 15.352 898 HE3 LYS 18 HE2 LYS 18 4.283 21.501 16.731 899 HZ1 LYS 18 HZ1 LYS 18 5.401 22.794 15.044 900 HZ2 LYS 18 HZ2 LYS 18 6.112 21.316 15.185 901 HZ3 LYS 18 HZ3 LYS 18 5.123 21.637 13.905 902 H TYR 19 H TYR 19 2.568 18.959 11.425 903 HA TYR 19 HA TYR 19 4.346 21.310 11.789 904 HB2 TYR 19 HB1 TYR 19 4.717 18.679 10.300 905 HB3 TYR 19 HB2 TYR 19 5.960 19.911 10.567 906 HD1 TYR 19 HD2 TYR 19 6.905 20.259 12.908 907 HD2 TYR 19 HD1 TYR 19 4.010 17.215 12.015 908 HE1 TYR 19 HE2 TYR 19 7.420 19.107 15.057 909 HE2 TYR 19 HE1 TYR 19 4.623 15.981 14.073 910 HH TYR 19 HH TYR 19 6.898 17.365 16.466 911 H SER 20 H SER 20 1.630 20.905 10.160 912 HA SER 20 HA SER 20 2.558 21.703 7.447 913 HB2 SER 20 HB1 SER 20 0.777 19.295 8.036 914 HB3 SER 20 HB2 SER 20 1.335 19.845 6.438 915 HG SER 20 HG SER 20 2.596 18.118 7.275 916 H GLY 21 H GLY 21 -0.487 20.455 8.918 917 HA2 GLY 21 HA2 GLY 21 -1.331 22.912 8.404 918 H ARG 22 H ARG 22 0.287 22.711 10.346 919 HA ARG 22 HA ARG 22 -0.556 24.757 12.123 920 HB2 ARG 22 HB1 ARG 22 1.638 23.351 11.840 921 HB3 ARG 22 HB2 ARG 22 2.107 24.634 10.700 922 HG2 ARG 22 HG1 ARG 22 1.569 26.309 12.552 923 HG3 ARG 22 HG2 ARG 22 1.443 24.918 13.655 924 HD2 ARG 22 HD1 ARG 22 3.695 25.960 13.702 925 HD3 ARG 22 HD2 ARG 22 3.739 24.268 13.162 926 HE ARG 22 HE ARG 22 4.809 25.021 11.360 927 HH11 ARG 22 HH12 ARG 22 2.644 27.765 12.020 928 HH12 ARG 22 HH11 ARG 22 3.139 28.573 10.561 929 HH21 ARG 22 HH22 ARG 22 5.283 26.058 9.545 930 HH22 ARG 22 HH21 ARG 22 4.595 27.627 9.199 931 H GLU 23 H GLU 23 0.344 24.787 8.701 932 HA GLU 23 HA GLU 23 -0.634 27.570 8.350 933 HB2 GLU 23 HB1 GLU 23 0.840 25.712 6.438 934 HB3 GLU 23 HB2 GLU 23 0.394 27.406 6.122 935 HG2 GLU 23 HG1 GLU 23 2.353 26.474 8.239 936 HG3 GLU 23 HG2 GLU 23 2.793 27.093 6.633 937 H GLY 24 H GLY 24 -1.634 27.544 5.819 938 HA2 GLY 24 HA2 GLY 24 -3.404 25.586 6.124 939 H SER 25 H SER 25 -1.197 25.482 4.354 940 HA SER 25 HA SER 25 -2.364 23.744 2.318 941 HB2 SER 25 HB1 SER 25 0.124 23.440 1.758 942 HB3 SER 25 HB2 SER 25 -0.584 25.059 1.538 943 HG SER 25 HG SER 25 1.454 25.113 2.603 944 H LYS 26 H LYS 26 -3.268 22.447 4.397 945 HA LYS 26 HA LYS 26 -1.450 21.560 6.298 946 HB2 LYS 26 HB1 LYS 26 -3.344 20.365 7.267 947 HB3 LYS 26 HB2 LYS 26 -3.750 22.020 6.751 948 HG2 LYS 26 HG1 LYS 26 -4.375 19.678 4.979 949 HG3 LYS 26 HG2 LYS 26 -5.425 20.070 6.363 950 HD2 LYS 26 HD1 LYS 26 -4.756 21.999 4.121 951 HD3 LYS 26 HD2 LYS 26 -6.212 20.977 4.171 952 HE2 LYS 26 HE1 LYS 26 -6.957 22.098 6.220 953 HE3 LYS 26 HE2 LYS 26 -5.475 23.078 6.245 954 HZ1 LYS 26 HZ1 LYS 26 -7.313 24.268 5.293 955 HZ2 LYS 26 HZ2 LYS 26 -6.144 24.028 4.154 956 HZ3 LYS 26 HZ3 LYS 26 -7.518 23.118 4.131 957 H LEU 27 H LEU 27 -1.718 19.931 3.332 958 HA LEU 27 HA LEU 27 -0.613 17.444 4.514 959 HB2 LEU 27 HB1 LEU 27 -1.822 17.948 1.786 960 HB3 LEU 27 HB2 LEU 27 -1.112 16.406 2.324 961 HG LEU 27 HG LEU 27 -3.656 17.735 3.285 962 HD11 LEU 27 HD11 LEU 27 -4.605 15.592 2.460 963 HD12 LEU 27 HD12 LEU 27 -3.685 16.419 1.179 964 HD13 LEU 27 HD13 LEU 27 -2.969 15.031 2.035 965 HD21 LEU 27 HD21 LEU 27 -3.973 15.838 4.852 966 HD22 LEU 27 HD22 LEU 27 -2.347 15.244 4.453 967 HD23 LEU 27 HD23 LEU 27 -2.547 16.803 5.290 968 H THR 28 H THR 28 0.470 20.255 2.877 969 HA THR 28 HA THR 28 3.093 18.913 2.468 970 HB THR 28 HB THR 28 3.717 21.002 1.226 971 HG1 THR 28 HG1 THR 28 1.933 22.268 0.494 972 HG21 THR 28 HG21 THR 28 2.437 20.469 -0.841 973 HG22 THR 28 HG22 THR 28 2.969 18.988 -0.019 974 HG23 THR 28 HG23 THR 28 1.281 19.533 0.128 975 H LEU 29 H LEU 29 5.003 20.455 3.006 976 HA LEU 29 HA LEU 29 4.579 22.468 5.032 977 HB2 LEU 29 HB1 LEU 29 5.595 21.496 6.890 978 HB3 LEU 29 HB2 LEU 29 4.414 20.300 6.305 979 HG LEU 29 HG LEU 29 7.425 20.173 5.974 980 HD11 LEU 29 HD11 LEU 29 7.227 18.287 7.572 981 HD12 LEU 29 HD12 LEU 29 6.599 19.796 8.275 982 HD13 LEU 29 HD13 LEU 29 5.471 18.558 7.672 983 HD21 LEU 29 HD21 LEU 29 7.099 17.879 5.117 984 HD22 LEU 29 HD22 LEU 29 5.339 18.113 5.179 985 HD23 LEU 29 HD23 LEU 29 6.329 19.083 4.062 986 H SER 30 H SER 30 6.620 23.579 5.707 987 HA SER 30 HA SER 30 8.438 23.755 3.483 988 HB2 SER 30 HB1 SER 30 9.651 25.402 4.880 989 HB3 SER 30 HB2 SER 30 7.904 25.732 4.800 990 HG SER 30 HG SER 30 8.743 25.893 6.939 991 H ARG 31 H ARG 31 10.637 23.245 3.321 992 HA ARG 31 HA ARG 31 11.723 20.920 4.309 993 HB2 ARG 31 HB1 ARG 31 12.446 22.380 2.422 994 HB3 ARG 31 HB2 ARG 31 13.126 23.520 3.608 995 HG2 ARG 31 HG1 ARG 31 14.912 22.168 2.685 996 HG3 ARG 31 HG2 ARG 31 14.668 21.715 4.388 997 HD2 ARG 31 HD1 ARG 31 13.083 20.239 2.343 998 HD3 ARG 31 HD2 ARG 31 14.829 19.915 2.393 999 HE ARG 31 HE ARG 31 12.812 19.216 4.407 1000 HH11 ARG 31 HH12 ARG 31 16.282 19.736 4.162 1001 HH12 ARG 31 HH11 ARG 31 16.663 18.367 5.172 1002 HH21 ARG 31 HH22 ARG 31 13.388 17.276 5.459 1003 HH22 ARG 31 HH21 ARG 31 15.060 17.007 5.889 1004 H LYS 32 H LYS 32 12.365 24.214 5.721 1005 HA LYS 32 HA LYS 32 13.843 23.561 7.958 1006 HB2 LYS 32 HB1 LYS 32 11.413 25.389 7.910 1007 HB3 LYS 32 HB2 LYS 32 12.762 25.452 9.070 1008 HG2 LYS 32 HG1 LYS 32 12.936 26.074 6.113 1009 HG3 LYS 32 HG2 LYS 32 12.836 27.268 7.430 1010 HD2 LYS 32 HD1 LYS 32 14.995 26.202 8.331 1011 HD3 LYS 32 HD2 LYS 32 15.118 25.401 6.745 1012 HE2 LYS 32 HE1 LYS 32 15.083 28.395 7.305 1013 HE3 LYS 32 HE2 LYS 32 16.441 27.431 6.682 1014 HZ1 LYS 32 HZ1 LYS 32 15.337 28.640 4.943 1015 HZ2 LYS 32 HZ2 LYS 32 15.158 27.018 4.708 1016 HZ3 LYS 32 HZ3 LYS 32 13.899 27.912 5.285 1017 H GLU 33 H GLU 33 10.292 23.136 7.619 1018 HA GLU 33 HA GLU 33 10.049 22.293 10.414 1019 HB2 GLU 33 HB1 GLU 33 8.557 23.976 9.312 1020 HB3 GLU 33 HB2 GLU 33 7.892 22.656 8.321 1021 HG2 GLU 33 HG1 GLU 33 6.962 21.564 10.174 1022 HG3 GLU 33 HG2 GLU 33 8.001 22.434 11.325 1023 H LEU 34 H LEU 34 9.921 20.732 7.206 1024 HA LEU 34 HA LEU 34 9.286 18.093 8.078 1025 HB2 LEU 34 HB1 LEU 34 9.311 18.812 5.756 1026 HB3 LEU 34 HB2 LEU 34 11.051 19.174 5.855 1027 HG LEU 34 HG LEU 34 11.569 16.812 6.069 1028 HD11 LEU 34 HD11 LEU 34 9.867 15.043 5.795 1029 HD12 LEU 34 HD12 LEU 34 9.576 16.005 7.260 1030 HD13 LEU 34 HD13 LEU 34 8.591 16.278 5.804 1031 HD21 LEU 34 HD21 LEU 34 10.886 16.104 3.794 1032 HD22 LEU 34 HD22 LEU 34 9.637 17.372 3.778 1033 HD23 LEU 34 HD23 LEU 34 11.360 17.818 3.821 1034 H LYS 35 H LYS 35 12.330 19.959 8.253 1035 HA LYS 35 HA LYS 35 13.848 17.759 9.341 1036 HB2 LYS 35 HB1 LYS 35 14.926 19.563 8.195 1037 HB3 LYS 35 HB2 LYS 35 14.207 20.764 9.293 1038 HG2 LYS 35 HG1 LYS 35 15.482 19.720 11.182 1039 HG3 LYS 35 HG2 LYS 35 16.276 18.650 10.003 1040 HD2 LYS 35 HD1 LYS 35 16.318 21.678 9.792 1041 HD3 LYS 35 HD2 LYS 35 17.573 20.745 10.642 1042 HE2 LYS 35 HE1 LYS 35 17.908 19.428 8.497 1043 HE3 LYS 35 HE2 LYS 35 16.826 20.587 7.695 1044 HZ1 LYS 35 HZ1 LYS 35 19.126 21.165 7.399 1045 HZ2 LYS 35 HZ2 LYS 35 18.359 22.326 8.284 1046 HZ3 LYS 35 HZ3 LYS 35 19.363 21.249 9.029 1047 H GLU 36 H GLU 36 11.785 20.330 10.905 1048 HA GLU 36 HA GLU 36 12.327 19.406 13.542 1049 HB2 GLU 36 HB1 GLU 36 11.033 21.493 13.181 1050 HB3 GLU 36 HB2 GLU 36 9.673 20.537 12.548 1051 HG2 GLU 36 HG1 GLU 36 9.538 19.274 14.634 1052 HG3 GLU 36 HG2 GLU 36 10.972 20.112 15.266 1053 H LEU 37 H LEU 37 9.743 18.451 11.258 1054 HA LEU 37 HA LEU 37 8.147 16.841 12.748 1055 HB2 LEU 37 HB1 LEU 37 7.612 17.488 10.516 1056 HB3 LEU 37 HB2 LEU 37 9.046 16.664 9.857 1057 HG LEU 37 HG LEU 37 7.986 14.477 10.509 1058 HD11 LEU 37 HD11 LEU 37 5.542 14.407 10.847 1059 HD12 LEU 37 HD12 LEU 37 6.352 15.286 12.160 1060 HD13 LEU 37 HD13 LEU 37 5.502 16.181 10.878 1061 HD21 LEU 37 HD21 LEU 37 6.410 14.471 8.588 1062 HD22 LEU 37 HD22 LEU 37 6.392 16.249 8.603 1063 HD23 LEU 37 HD23 LEU 37 7.889 15.375 8.198 1064 H ILE 38 H ILE 38 10.908 15.555 10.821 1065 HA ILE 38 HA ILE 38 10.394 12.859 11.619 1066 HB ILE 38 HB ILE 38 12.799 14.151 10.291 1067 HG12 ILE 38 HG13 ILE 38 10.531 12.518 9.081 1068 HG13 ILE 38 HG12 ILE 38 10.514 14.295 9.172 1069 HG21 ILE 38 HG21 ILE 38 13.401 11.860 9.559 1070 HG22 ILE 38 HG22 ILE 38 13.429 11.997 11.331 1071 HG23 ILE 38 HG23 ILE 38 12.060 11.200 10.522 1072 HD11 ILE 38 HD11 ILE 38 11.239 13.524 6.935 1073 HD12 ILE 38 HD12 ILE 38 12.544 14.387 7.777 1074 HD13 ILE 38 HD13 ILE 38 12.563 12.610 7.688 1075 H LYS 39 H LYS 39 12.720 15.297 12.890 1076 HA LYS 39 HA LYS 39 13.744 13.455 14.891 1077 HB2 LYS 39 HB1 LYS 39 14.261 16.246 13.978 1078 HB3 LYS 39 HB2 LYS 39 14.759 15.813 15.631 1079 HG2 LYS 39 HG1 LYS 39 15.532 14.116 13.242 1080 HG3 LYS 39 HG2 LYS 39 16.488 15.536 13.726 1081 HD2 LYS 39 HD1 LYS 39 16.931 14.552 15.913 1082 HD3 LYS 39 HD2 LYS 39 15.860 13.177 15.549 1083 HE2 LYS 39 HE1 LYS 39 17.362 12.447 13.749 1084 HE3 LYS 39 HE2 LYS 39 18.406 13.858 14.016 1085 HZ1 LYS 39 HZ1 LYS 39 19.285 11.895 15.056 1086 HZ2 LYS 39 HZ2 LYS 39 18.885 13.011 16.201 1087 HZ3 LYS 39 HZ3 LYS 39 17.916 11.700 15.953 1088 H LYS 40 H LYS 40 10.769 14.914 14.796 1089 HA LYS 40 HA LYS 40 10.541 14.838 17.766 1090 HB2 LYS 40 HB1 LYS 40 8.734 15.934 15.582 1091 HB3 LYS 40 HB2 LYS 40 8.262 15.822 17.295 1092 HG2 LYS 40 HG1 LYS 40 10.459 17.539 16.120 1093 HG3 LYS 40 HG2 LYS 40 8.893 18.085 16.769 1094 HD2 LYS 40 HD1 LYS 40 9.724 16.817 18.944 1095 HD3 LYS 40 HD2 LYS 40 11.328 17.084 18.221 1096 HE2 LYS 40 HE1 LYS 40 9.246 19.233 18.799 1097 HE3 LYS 40 HE2 LYS 40 10.714 18.925 19.753 1098 HZ1 LYS 40 HZ1 LYS 40 11.010 20.739 18.227 1099 HZ2 LYS 40 HZ2 LYS 40 12.009 19.491 17.825 1100 HZ3 LYS 40 HZ3 LYS 40 10.647 19.777 16.939 1101 H GLU 41 H GLU 41 9.139 13.606 14.748 1102 HA GLU 41 HA GLU 41 7.293 11.696 15.658 1103 HB2 GLU 41 HB1 GLU 41 9.189 11.861 13.297 1104 HB3 GLU 41 HB2 GLU 41 8.087 10.481 13.509 1105 HG2 GLU 41 HG1 GLU 41 6.161 12.049 13.469 1106 HG3 GLU 41 HG2 GLU 41 7.286 13.393 13.177 1107 H LEU 42 H LEU 42 10.785 11.360 14.948 1108 HA LEU 42 HA LEU 42 10.936 9.197 16.971 1109 HB2 LEU 42 HB1 LEU 42 12.208 9.338 14.223 1110 HB3 LEU 42 HB2 LEU 42 12.910 8.353 15.529 1111 HG LEU 42 HG LEU 42 10.014 8.133 14.696 1112 HD11 LEU 42 HD11 LEU 42 10.617 6.190 13.293 1113 HD12 LEU 42 HD12 LEU 42 11.389 7.682 12.712 1114 HD13 LEU 42 HD13 LEU 42 12.337 6.488 13.630 1115 HD21 LEU 42 HD21 LEU 42 10.123 5.893 15.728 1116 HD22 LEU 42 HD22 LEU 42 11.830 6.171 16.135 1117 HD23 LEU 42 HD23 LEU 42 10.560 7.168 16.884 1118 H CYS 43 H CYS 43 12.881 9.061 18.089 1119 HA CYS 43 HA CYS 43 14.420 11.522 18.398 1120 HB2 CYS 43 HB1 CYS 43 13.925 10.044 20.281 1121 HB3 CYS 43 HB2 CYS 43 14.774 8.701 19.477 1122 HG CYS 43 HG CYS 43 16.223 9.615 21.450 1123 H LEU 44 H LEU 44 14.835 8.408 16.822 1124 HA LEU 44 HA LEU 44 17.004 7.429 16.755 1125 HB2 LEU 44 HB1 LEU 44 15.513 8.144 14.380 1126 HB3 LEU 44 HB2 LEU 44 17.214 7.740 14.053 1127 HG LEU 44 HG LEU 44 16.936 5.667 15.432 1128 HD11 LEU 44 HD11 LEU 44 14.671 4.802 15.937 1129 HD12 LEU 44 HD12 LEU 44 15.002 6.310 16.816 1130 HD13 LEU 44 HD13 LEU 44 13.968 6.330 15.367 1131 HD21 LEU 44 HD21 LEU 44 15.675 4.428 13.706 1132 HD22 LEU 44 HD22 LEU 44 15.007 5.961 13.098 1133 HD23 LEU 44 HD23 LEU 44 16.754 5.640 12.976 1134 H GLY 45 H GLY 45 18.135 8.815 18.097 1135 HA2 GLY 45 HA2 GLY 45 20.269 8.555 16.800 1136 H GLU 46 H GLU 46 18.916 7.929 19.344 1137 HA GLU 46 HA GLU 46 20.941 6.744 20.885 1138 HB2 GLU 46 HB1 GLU 46 19.179 5.548 21.926 1139 HB3 GLU 46 HB2 GLU 46 18.545 7.153 21.485 1140 HG2 GLU 46 HG1 GLU 46 18.033 4.753 19.742 1141 HG3 GLU 46 HG2 GLU 46 17.057 5.052 21.196 1142 H MET 47 H MET 47 20.126 5.910 17.709 1143 HA MET 47 HA MET 47 21.955 3.593 17.872 1144 HB2 MET 47 HB1 MET 47 19.289 3.597 16.398 1145 HB3 MET 47 HB2 MET 47 20.568 2.377 16.188 1146 HG2 MET 47 HG1 MET 47 20.275 1.555 18.406 1147 HG3 MET 47 HG2 MET 47 19.250 2.928 18.857 1148 HE1 MET 47 HE1 MET 47 15.925 2.290 17.002 1149 HE2 MET 47 HE2 MET 47 16.790 3.258 18.220 1150 HE3 MET 47 HE3 MET 47 17.288 3.324 16.512 1151 H LYS 48 H LYS 48 19.937 5.509 15.624 1152 HA LYS 48 HA LYS 48 22.073 5.486 13.613 1153 HB2 LYS 48 HB1 LYS 48 19.096 5.686 13.630 1154 HB3 LYS 48 HB2 LYS 48 19.979 6.411 12.264 1155 HG2 LYS 48 HG1 LYS 48 20.744 3.695 13.339 1156 HG3 LYS 48 HG2 LYS 48 19.386 3.857 12.199 1157 HD2 LYS 48 HD1 LYS 48 22.267 4.667 11.679 1158 HD3 LYS 48 HD2 LYS 48 21.450 3.216 11.047 1159 HE2 LYS 48 HE1 LYS 48 19.798 4.742 9.899 1160 HE3 LYS 48 HE2 LYS 48 20.796 6.121 10.407 1161 HZ1 LYS 48 HZ1 LYS 48 21.310 5.426 8.181 1162 HZ2 LYS 48 HZ2 LYS 48 22.610 5.183 9.164 1163 HZ3 LYS 48 HZ3 LYS 48 21.685 3.904 8.692 1164 H GLU 49 H GLU 49 23.140 6.898 15.189 1165 HA GLU 49 HA GLU 49 22.809 9.703 14.420 1166 HB2 GLU 49 HB1 GLU 49 24.275 8.263 16.464 1167 HB3 GLU 49 HB2 GLU 49 25.341 9.389 15.591 1168 HG2 GLU 49 HG1 GLU 49 22.735 10.035 17.011 1169 HG3 GLU 49 HG2 GLU 49 24.371 10.563 17.462 1170 H SER 50 H SER 50 24.585 10.892 13.515 1171 HA SER 50 HA SER 50 25.794 11.598 11.820 1172 HB2 SER 50 HB1 SER 50 27.789 10.421 11.204 1173 HB3 SER 50 HB2 SER 50 27.509 10.227 12.950 1174 HG SER 50 HG SER 50 28.139 8.266 11.926 1175 H SER 51 H SER 51 25.040 8.226 10.933 1176 HA SER 51 HA SER 51 24.770 8.770 8.100 1177 HB2 SER 51 HB1 SER 51 24.119 6.288 9.726 1178 HB3 SER 51 HB2 SER 51 24.377 6.378 7.966 1179 HG SER 51 HG SER 51 26.233 5.639 9.102 1180 H ILE 52 H ILE 52 23.002 10.228 9.832 1181 HA ILE 52 HA ILE 52 20.494 9.701 8.364 1182 HB ILE 52 HB ILE 52 19.306 10.892 10.215 1183 HG12 ILE 52 HG13 ILE 52 20.200 10.708 12.505 1184 HG13 ILE 52 HG12 ILE 52 21.802 10.318 11.834 1185 HG21 ILE 52 HG21 ILE 52 19.166 8.805 11.563 1186 HG22 ILE 52 HG22 ILE 52 19.265 8.444 9.825 1187 HG23 ILE 52 HG23 ILE 52 20.701 8.251 10.858 1188 HD11 ILE 52 HD11 ILE 52 21.698 12.673 12.579 1189 HD12 ILE 52 HD12 ILE 52 21.926 12.553 10.823 1190 HD13 ILE 52 HD13 ILE 52 20.323 12.944 11.491 1191 H ASP 53 H ASP 53 23.055 11.965 9.078 1192 HA ASP 53 HA ASP 53 21.983 14.367 8.069 1193 HB2 ASP 53 HB1 ASP 53 24.219 14.333 9.007 1194 HB3 ASP 53 HB2 ASP 53 24.757 13.121 7.824 1195 H ASP 54 H ASP 54 23.026 11.396 6.382 1196 HA ASP 54 HA ASP 54 23.730 12.753 3.984 1197 HB2 ASP 54 HB1 ASP 54 24.526 10.506 4.978 1198 HB3 ASP 54 HB2 ASP 54 23.124 9.814 4.134 1199 H LEU 55 H LEU 55 20.750 11.076 4.934 1200 HA LEU 55 HA LEU 55 19.317 11.801 2.541 1201 HB2 LEU 55 HB1 LEU 55 18.282 11.163 5.321 1202 HB3 LEU 55 HB2 LEU 55 17.335 11.179 3.814 1203 HG LEU 55 HG LEU 55 19.529 9.232 4.594 1204 HD11 LEU 55 HD11 LEU 55 17.667 7.600 4.486 1205 HD12 LEU 55 HD12 LEU 55 17.320 8.897 5.656 1206 HD13 LEU 55 HD13 LEU 55 16.543 8.911 4.054 1207 HD21 LEU 55 HD21 LEU 55 19.082 8.072 2.454 1208 HD22 LEU 55 HD22 LEU 55 17.966 9.374 1.985 1209 HD23 LEU 55 HD23 LEU 55 19.701 9.718 2.182 1210 H MET 56 H MET 56 19.602 13.322 5.823 1211 HA MET 56 HA MET 56 17.720 15.332 5.474 1212 HB2 MET 56 HB1 MET 56 20.084 14.943 7.214 1213 HB3 MET 56 HB2 MET 56 19.522 16.620 7.031 1214 HG2 MET 56 HG1 MET 56 17.752 14.281 7.756 1215 HG3 MET 56 HG2 MET 56 18.495 15.373 8.936 1216 HE1 MET 56 HE1 MET 56 14.711 16.055 9.035 1217 HE2 MET 56 HE2 MET 56 15.503 14.512 8.609 1218 HE3 MET 56 HE3 MET 56 16.158 15.510 9.928 1219 H LYS 57 H LYS 57 21.292 15.789 4.777 1220 HA LYS 57 HA LYS 57 20.591 18.246 3.445 1221 HB2 LYS 57 HB1 LYS 57 22.933 18.619 3.075 1222 HB3 LYS 57 HB2 LYS 57 22.495 18.305 4.772 1223 HG2 LYS 57 HG1 LYS 57 24.557 17.259 4.450 1224 HG3 LYS 57 HG2 LYS 57 23.353 15.948 4.408 1225 HD2 LYS 57 HD1 LYS 57 23.585 16.750 1.736 1226 HD3 LYS 57 HD2 LYS 57 25.253 16.801 2.357 1227 HE2 LYS 57 HE1 LYS 57 23.373 14.451 2.779 1228 HE3 LYS 57 HE2 LYS 57 24.505 14.561 1.416 1229 HZ1 LYS 57 HZ1 LYS 57 25.422 13.304 3.232 1230 HZ2 LYS 57 HZ2 LYS 57 26.298 14.680 2.996 1231 HZ3 LYS 57 HZ3 LYS 57 25.247 14.579 4.263 1232 H SER 58 H SER 58 20.642 15.023 2.245 1233 HA SER 58 HA SER 58 20.783 15.763 -0.513 1234 HB2 SER 58 HB1 SER 58 20.695 13.404 0.390 1235 HB3 SER 58 HB2 SER 58 18.951 13.647 0.652 1236 HG SER 58 HG SER 58 19.421 12.684 -1.382 1237 H LEU 59 H LEU 59 18.041 15.983 1.863 1238 HA LEU 59 HA LEU 59 16.443 17.398 -0.146 1239 HB2 LEU 59 HB1 LEU 59 15.987 16.826 2.792 1240 HB3 LEU 59 HB2 LEU 59 14.844 17.712 1.755 1241 HG LEU 59 HG LEU 59 15.609 14.788 1.630 1242 HD11 LEU 59 HD11 LEU 59 13.168 14.518 1.994 1243 HD12 LEU 59 HD12 LEU 59 13.905 15.497 3.287 1244 HD13 LEU 59 HD13 LEU 59 12.971 16.287 1.993 1245 HD21 LEU 59 HD21 LEU 59 14.119 14.560 -0.330 1246 HD22 LEU 59 HD22 LEU 59 13.910 16.324 -0.373 1247 HD23 LEU 59 HD23 LEU 59 15.508 15.607 -0.692 1248 H ASP 60 H ASP 60 18.672 18.350 2.477 1249 HA ASP 60 HA ASP 60 17.296 20.801 3.029 1250 HB2 ASP 60 HB1 ASP 60 19.018 19.298 4.415 1251 HB3 ASP 60 HB2 ASP 60 20.146 20.530 3.808 1252 H LYS 61 H LYS 61 19.943 20.126 0.742 1253 HA LYS 61 HA LYS 61 20.496 22.366 -0.578 1254 HB2 LYS 61 HB1 LYS 61 20.653 20.102 -1.356 1255 HB3 LYS 61 HB2 LYS 61 18.879 19.943 -1.395 1256 HG2 LYS 61 HG1 LYS 61 18.693 21.178 -3.381 1257 HG3 LYS 61 HG2 LYS 61 20.311 21.899 -3.200 1258 HD2 LYS 61 HD1 LYS 61 20.039 19.921 -4.868 1259 HD3 LYS 61 HD2 LYS 61 21.410 19.883 -3.734 1260 HE2 LYS 61 HE1 LYS 61 20.418 17.687 -3.860 1261 HE3 LYS 61 HE2 LYS 61 20.113 18.382 -2.253 1262 HZ1 LYS 61 HZ1 LYS 61 18.185 17.272 -3.125 1263 HZ2 LYS 61 HZ2 LYS 61 17.891 18.884 -2.964 1264 HZ3 LYS 61 HZ3 LYS 61 18.176 18.238 -4.456 1265 H ASN 62 H ASN 62 17.150 21.184 -0.369 1266 HA ASN 62 HA ASN 62 16.026 23.443 -1.873 1267 HB2 ASN 62 HB1 ASN 62 14.896 20.821 -0.804 1268 HB3 ASN 62 HB2 ASN 62 14.015 21.969 -1.833 1269 HD21 ASN 62 HD21 ASN 62 14.777 22.313 -4.029 1270 HD22 ASN 62 HD22 ASN 62 15.804 21.138 -4.831 1271 H SER 63 H SER 63 16.934 24.668 0.298 1272 HA SER 63 HA SER 63 16.308 23.604 2.776 1273 HB2 SER 63 HB1 SER 63 17.398 25.522 3.762 1274 HB3 SER 63 HB2 SER 63 18.265 25.035 2.286 1275 HG SER 63 HG SER 63 17.974 27.309 2.438 1276 H ASP 64 H ASP 64 14.017 25.480 1.122 1277 HA ASP 64 HA ASP 64 12.572 26.019 3.647 1278 HB2 ASP 64 HB1 ASP 64 13.960 28.030 2.612 1279 HB3 ASP 64 HB2 ASP 64 12.576 28.129 1.503 1280 H GLN 65 H GLN 65 12.478 24.477 0.722 1281 HA GLN 65 HA GLN 65 10.091 25.469 -0.484 1282 HB2 GLN 65 HB1 GLN 65 11.686 22.911 -0.615 1283 HB3 GLN 65 HB2 GLN 65 10.114 23.021 -1.444 1284 HG2 GLN 65 HG1 GLN 65 10.946 24.972 -2.723 1285 HG3 GLN 65 HG2 GLN 65 12.523 24.814 -1.917 1286 HE21 GLN 65 HE12 GLN 65 10.314 22.266 -3.266 1287 HE22 GLN 65 HE22 GLN 65 11.514 21.604 -4.350 1288 H GLU 66 H GLU 66 7.865 24.990 -0.111 1289 HA GLU 66 HA GLU 66 7.023 23.003 1.734 1290 HB2 GLU 66 HB1 GLU 66 5.659 24.085 -0.732 1291 HB3 GLU 66 HB2 GLU 66 4.934 22.824 0.293 1292 HG2 GLU 66 HG1 GLU 66 5.360 24.525 2.241 1293 HG3 GLU 66 HG2 GLU 66 5.479 25.724 0.935 1294 H ILE 67 H ILE 67 6.565 20.885 1.544 1295 HA ILE 67 HA ILE 67 7.485 19.339 -0.822 1296 HB ILE 67 HB ILE 67 8.484 19.233 2.040 1297 HG12 ILE 67 HG13 ILE 67 9.859 19.118 -0.677 1298 HG13 ILE 67 HG12 ILE 67 9.640 20.592 0.296 1299 HG21 ILE 67 HG21 ILE 67 9.510 17.038 1.576 1300 HG22 ILE 67 HG22 ILE 67 7.734 16.948 1.517 1301 HG23 ILE 67 HG23 ILE 67 8.673 16.978 0.005 1302 HD11 ILE 67 HD11 ILE 67 11.932 19.701 0.533 1303 HD12 ILE 67 HD12 ILE 67 11.046 19.632 2.070 1304 HD13 ILE 67 HD13 ILE 67 11.265 18.156 1.099 1305 H ASP 68 H ASP 68 6.456 17.364 -1.067 1306 HA ASP 68 HA ASP 68 3.833 17.140 0.229 1307 HB2 ASP 68 HB1 ASP 68 3.892 17.153 -2.199 1308 HB3 ASP 68 HB2 ASP 68 5.050 15.805 -2.218 1309 H PHE 69 H PHE 69 2.938 15.269 0.928 1310 HA PHE 69 HA PHE 69 4.111 13.600 2.727 1311 HB2 PHE 69 HB1 PHE 69 1.622 14.067 1.711 1312 HB3 PHE 69 HB2 PHE 69 1.918 12.428 1.109 1313 HD1 PHE 69 HD2 PHE 69 2.450 10.575 2.794 1314 HD2 PHE 69 HD1 PHE 69 1.100 14.486 3.985 1315 HE1 PHE 69 HE2 PHE 69 1.686 9.643 4.965 1316 HE2 PHE 69 HE1 PHE 69 0.414 13.568 6.191 1317 HZ PHE 69 HZ PHE 69 0.703 11.151 6.680 1318 H LYS 70 H LYS 70 4.332 13.110 -0.817 1319 HA LYS 70 HA LYS 70 5.202 10.409 -0.818 1320 HB2 LYS 70 HB1 LYS 70 5.146 12.690 -2.628 1321 HB3 LYS 70 HB2 LYS 70 6.677 11.796 -2.784 1322 HG2 LYS 70 HG1 LYS 70 5.049 11.014 -4.409 1323 HG3 LYS 70 HG2 LYS 70 5.428 9.734 -3.231 1324 HD2 LYS 70 HD1 LYS 70 3.322 9.757 -2.320 1325 HD3 LYS 70 HD2 LYS 70 3.091 11.497 -2.620 1326 HE2 LYS 70 HE1 LYS 70 1.598 10.102 -4.022 1327 HE3 LYS 70 HE2 LYS 70 2.724 11.072 -4.998 1328 HZ1 LYS 70 HZ1 LYS 70 2.554 8.826 -5.805 1329 HZ2 LYS 70 HZ2 LYS 70 4.080 9.117 -5.257 1330 HZ3 LYS 70 HZ3 LYS 70 3.037 8.217 -4.352 1331 H GLU 71 H GLU 71 7.144 13.450 -0.848 1332 HA GLU 71 HA GLU 71 9.637 12.090 -0.680 1333 HB2 GLU 71 HB1 GLU 71 9.094 14.948 0.156 1334 HB3 GLU 71 HB2 GLU 71 10.648 14.234 -0.336 1335 HG2 GLU 71 HG1 GLU 71 9.377 13.738 -2.586 1336 HG3 GLU 71 HG2 GLU 71 8.283 15.022 -2.024 1337 H TYR 72 H TYR 72 7.369 13.263 1.749 1338 HA TYR 72 HA TYR 72 9.017 12.837 4.055 1339 HB2 TYR 72 HB1 TYR 72 7.218 14.242 4.380 1340 HB3 TYR 72 HB2 TYR 72 6.122 13.245 3.408 1341 HD1 TYR 72 HD2 TYR 72 8.037 13.148 6.642 1342 HD2 TYR 72 HD1 TYR 72 4.537 11.908 4.465 1343 HE1 TYR 72 HE2 TYR 72 7.084 12.190 8.720 1344 HE2 TYR 72 HE1 TYR 72 3.603 10.897 6.533 1345 HH TYR 72 HH TYR 72 5.285 11.113 9.679 1346 H SER 73 H SER 73 6.456 10.744 2.573 1347 HA SER 73 HA SER 73 6.749 8.657 4.494 1348 HB2 SER 73 HB1 SER 73 5.402 7.313 2.853 1349 HB3 SER 73 HB2 SER 73 4.680 8.878 3.297 1350 HG SER 73 HG SER 73 4.616 8.477 1.041 1351 H VAL 74 H VAL 74 8.273 9.126 1.247 1352 HA VAL 74 HA VAL 74 9.660 6.615 1.420 1353 HB VAL 74 HB VAL 74 11.033 7.266 -0.403 1354 HG11 VAL 74 HG11 VAL 74 9.306 7.628 -2.111 1355 HG12 VAL 74 HG12 VAL 74 8.777 6.475 -0.866 1356 HG13 VAL 74 HG13 VAL 74 8.173 8.151 -0.847 1357 HG21 VAL 74 HG21 VAL 74 10.947 9.439 -1.544 1358 HG22 VAL 74 HG22 VAL 74 9.881 10.054 -0.267 1359 HG23 VAL 74 HG23 VAL 74 11.551 9.581 0.119 1360 H PHE 75 H PHE 75 10.487 9.891 2.632 1361 HA PHE 75 HA PHE 75 13.249 9.258 3.142 1362 HB2 PHE 75 HB1 PHE 75 12.160 11.533 2.972 1363 HB3 PHE 75 HB2 PHE 75 11.507 11.254 4.596 1364 HD1 PHE 75 HD1 PHE 75 13.357 10.660 6.458 1365 HD2 PHE 75 HD2 PHE 75 14.149 12.631 2.716 1366 HE1 PHE 75 HE1 PHE 75 15.355 11.752 7.454 1367 HE2 PHE 75 HE2 PHE 75 16.106 13.768 3.727 1368 HZ PHE 75 HZ PHE 75 16.705 13.341 6.099 1369 H LEU 76 H LEU 76 10.283 9.052 5.250 1370 HA LEU 76 HA LEU 76 11.616 8.023 7.541 1371 HB2 LEU 76 HB1 LEU 76 8.803 7.691 6.465 1372 HB3 LEU 76 HB2 LEU 76 9.328 6.964 8.003 1373 HG LEU 76 HG LEU 76 9.329 9.940 7.364 1374 HD11 LEU 76 HD11 LEU 76 7.425 9.990 8.956 1375 HD12 LEU 76 HD12 LEU 76 7.064 8.943 7.561 1376 HD13 LEU 76 HD13 LEU 76 7.516 8.220 9.123 1377 HD21 LEU 76 HD21 LEU 76 9.770 10.224 9.786 1378 HD22 LEU 76 HD22 LEU 76 9.864 8.459 9.975 1379 HD23 LEU 76 HD23 LEU 76 11.081 9.316 8.998 1380 H THR 77 H THR 77 10.084 6.331 4.793 1381 HA THR 77 HA THR 77 10.657 3.655 5.466 1382 HB THR 77 HB THR 77 10.307 5.127 2.841 1383 HG1 THR 77 HG1 THR 77 8.255 4.137 3.082 1384 HG21 THR 77 HG21 THR 77 9.850 2.952 1.771 1385 HG22 THR 77 HG22 THR 77 11.527 3.053 2.350 1386 HG23 THR 77 HG23 THR 77 10.322 2.122 3.269 1387 H MET 78 H MET 78 12.586 5.976 3.548 1388 HA MET 78 HA MET 78 14.761 4.215 2.994 1389 HB2 MET 78 HB1 MET 78 14.097 6.208 1.695 1390 HB3 MET 78 HB2 MET 78 14.596 7.244 3.054 1391 HG2 MET 78 HG1 MET 78 16.838 6.868 2.702 1392 HG3 MET 78 HG2 MET 78 16.564 5.323 1.880 1393 HE1 MET 78 HE1 MET 78 15.424 9.315 -0.226 1394 HE2 MET 78 HE2 MET 78 14.393 8.436 0.926 1395 HE3 MET 78 HE3 MET 78 15.874 9.248 1.493 1396 H LEU 79 H LEU 79 14.240 6.592 5.656 1397 HA LEU 79 HA LEU 79 16.708 6.148 6.992 1398 HB2 LEU 79 HB1 LEU 79 14.663 7.820 7.370 1399 HB3 LEU 79 HB2 LEU 79 14.190 6.573 8.549 1400 HG LEU 79 HG LEU 79 15.328 8.179 9.781 1401 HD11 LEU 79 HD11 LEU 79 17.426 7.161 10.601 1402 HD12 LEU 79 HD12 LEU 79 16.155 5.947 10.362 1403 HD13 LEU 79 HD13 LEU 79 17.466 6.113 9.169 1404 HD21 LEU 79 HD21 LEU 79 17.504 9.179 9.166 1405 HD22 LEU 79 HD22 LEU 79 17.529 8.197 7.686 1406 HD23 LEU 79 HD23 LEU 79 16.281 9.446 7.906 1407 H CYS 80 H CYS 80 13.526 4.477 7.355 1408 HA CYS 80 HA CYS 80 14.269 2.646 9.366 1409 HB2 CYS 80 HB1 CYS 80 11.967 3.254 8.647 1410 HB3 CYS 80 HB2 CYS 80 12.219 2.343 7.137 1411 HG CYS 80 HG CYS 80 10.713 0.962 8.768 1412 H MET 81 H MET 81 14.350 2.233 5.808 1413 HA MET 81 HA MET 81 15.465 -0.379 5.744 1414 HB2 MET 81 HB1 MET 81 15.438 1.954 3.805 1415 HB3 MET 81 HB2 MET 81 16.222 0.404 3.411 1416 HG2 MET 81 HG1 MET 81 13.307 0.817 4.132 1417 HG3 MET 81 HG2 MET 81 13.948 0.543 2.504 1418 HE1 MET 81 HE1 MET 81 15.383 -3.220 3.113 1419 HE2 MET 81 HE2 MET 81 15.457 -1.821 2.020 1420 HE3 MET 81 HE3 MET 81 16.225 -1.741 3.623 1421 H ALA 82 H ALA 82 16.973 2.861 5.903 1422 HA ALA 82 HA ALA 82 19.653 1.937 5.631 1423 HB1 ALA 82 HB1 ALA 82 20.273 4.233 6.255 1424 HB2 ALA 82 HB2 ALA 82 18.970 4.199 5.046 1425 HB3 ALA 82 HB3 ALA 82 18.595 4.547 6.751 1426 H TYR 83 H TYR 83 17.740 1.066 8.141 1427 HA TYR 83 HA TYR 83 20.205 0.227 9.483 1428 HB2 TYR 83 HB1 TYR 83 19.387 0.638 11.707 1429 HB3 TYR 83 HB2 TYR 83 19.478 2.141 10.772 1430 HD1 TYR 83 HD2 TYR 83 17.131 -0.376 12.217 1431 HD2 TYR 83 HD1 TYR 83 17.583 3.532 10.468 1432 HE1 TYR 83 HE2 TYR 83 14.817 0.193 12.910 1433 HE2 TYR 83 HE1 TYR 83 15.287 4.127 11.206 1434 HH TYR 83 HH TYR 83 13.200 1.797 12.988 1435 H ASN 84 H ASN 84 17.675 -0.861 7.835 1436 HA ASN 84 HA ASN 84 17.237 -3.228 9.569 1437 HB2 ASN 84 HB1 ASN 84 15.446 -1.746 7.713 1438 HB3 ASN 84 HB2 ASN 84 15.277 -3.514 7.752 1439 HD21 ASN 84 HD21 ASN 84 14.974 -0.533 9.619 1440 HD22 ASN 84 HD22 ASN 84 14.082 -1.238 10.956 1441 H ASP 85 H ASP 85 19.608 -3.637 8.561 1442 HA ASP 85 HA ASP 85 19.303 -5.646 6.496 1443 HB2 ASP 85 HB1 ASP 85 21.400 -6.531 7.368 1444 HB3 ASP 85 HB2 ASP 85 21.495 -4.767 7.177 1445 H PHE 86 H PHE 86 18.492 -5.428 9.934 1446 HA PHE 86 HA PHE 86 18.464 -8.095 10.714 1447 HB2 PHE 86 HB1 PHE 86 16.924 -5.637 11.545 1448 HB3 PHE 86 HB2 PHE 86 16.632 -7.195 12.337 1449 HD1 PHE 86 HD1 PHE 86 19.050 -4.434 11.859 1450 HD2 PHE 86 HD2 PHE 86 18.333 -8.237 13.756 1451 HE1 PHE 86 HE1 PHE 86 21.050 -4.102 13.295 1452 HE2 PHE 86 HE2 PHE 86 20.314 -7.884 15.211 1453 HZ PHE 86 HZ PHE 86 21.684 -5.821 14.971 1454 H PHE 87 H PHE 87 16.080 -6.614 8.572 1455 HA PHE 87 HA PHE 87 14.344 -8.975 8.944 1456 HB2 PHE 87 HB1 PHE 87 12.543 -7.761 8.364 1457 HB3 PHE 87 HB2 PHE 87 13.561 -6.487 9.054 1458 HD1 PHE 87 HD1 PHE 87 15.343 -5.697 6.907 1459 HD2 PHE 87 HD2 PHE 87 11.210 -6.872 6.695 1460 HE1 PHE 87 HE1 PHE 87 15.069 -4.354 4.841 1461 HE2 PHE 87 HE2 PHE 87 10.935 -5.534 4.620 1462 HZ PHE 87 HZ PHE 87 12.867 -4.278 3.689 1463 H LEU 88 H LEU 88 16.903 -8.397 7.038 1464 HA LEU 88 HA LEU 88 15.871 -8.766 4.422 1465 HB2 LEU 88 HB1 LEU 88 18.045 -8.695 3.700 1466 HB3 LEU 88 HB2 LEU 88 18.030 -7.709 5.181 1467 HG LEU 88 HG LEU 88 19.861 -8.753 5.771 1468 HD11 LEU 88 HD11 LEU 88 19.896 -11.035 6.704 1469 HD12 LEU 88 HD12 LEU 88 18.480 -10.117 7.249 1470 HD13 LEU 88 HD13 LEU 88 18.312 -11.346 5.972 1471 HD21 LEU 88 HD21 LEU 88 20.862 -10.594 4.464 1472 HD22 LEU 88 HD22 LEU 88 19.304 -10.849 3.644 1473 HD23 LEU 88 HD23 LEU 88 20.195 -9.328 3.410 1474 H GLU 89 H GLU 89 16.810 -10.547 2.964 1475 HA GLU 89 HA GLU 89 15.593 -13.054 3.706 1476 HB2 GLU 89 HB1 GLU 89 15.463 -12.144 1.479 1477 HB3 GLU 89 HB2 GLU 89 17.236 -12.097 1.348 1478 HG2 GLU 89 HG1 GLU 89 17.368 -14.489 1.210 1479 HG3 GLU 89 HG2 GLU 89 15.650 -14.668 1.626 1480 H ASP 90 H ASP 90 18.920 -12.458 2.553 1481 HA ASP 90 HA ASP 90 20.454 -14.018 4.253 1482 HB2 ASP 90 HB1 ASP 90 18.905 -15.894 3.673 1483 HB3 ASP 90 HB2 ASP 90 19.416 -15.750 1.977 1484 H ASN 91 H ASN 91 20.676 -11.654 2.593 1485 HA ASN 91 HA ASN 91 22.247 -12.342 0.245 1486 HB2 ASN 91 HB1 ASN 91 20.776 -10.420 0.200 1487 HB3 ASN 91 HB2 ASN 91 21.654 -9.674 1.553 1488 HD21 ASN 91 HD21 ASN 91 23.120 -11.335 -1.286 1489 HD22 ASN 91 HD22 ASN 91 23.919 -9.898 -1.913 1490 H LYS 92 H LYS 92 23.890 -13.560 1.046 1491 HA LYS 92 HA LYS 92 26.373 -12.239 1.292 1492 HB2 LYS 92 HB1 LYS 92 27.165 -12.693 3.371 1493 HB3 LYS 92 HB2 LYS 92 25.469 -12.277 3.717 1494 HG2 LYS 92 HG1 LYS 92 26.647 -15.059 3.603 1495 HG3 LYS 92 HG2 LYS 92 26.249 -14.139 5.074 1496 HD2 LYS 92 HD1 LYS 92 24.221 -15.048 5.078 1497 HD3 LYS 92 HD2 LYS 92 23.879 -14.293 3.502 1498 HE2 LYS 92 HE1 LYS 92 25.566 -16.629 3.152 1499 HE3 LYS 92 HE2 LYS 92 24.115 -17.057 4.084 1500 HZ1 LYS 92 HZ1 LYS 92 23.765 -17.288 1.742 1501 HZ2 LYS 92 HZ2 LYS 92 22.794 -16.102 2.347 1502 HZ3 LYS 92 HZ3 LYS 92 24.140 -15.704 1.481 Start of MODEL 30 1 HA MET 1 HA MET 1 9.822 1.982 18.909 2 HB2 MET 1 HB1 MET 1 8.173 -0.399 19.767 3 HB3 MET 1 HB2 MET 1 7.759 0.819 18.535 4 HG2 MET 1 HG1 MET 1 9.457 -0.007 17.050 5 HG3 MET 1 HG2 MET 1 10.110 -1.080 18.298 6 HE1 MET 1 HE1 MET 1 8.280 -3.191 15.324 7 HE2 MET 1 HE2 MET 1 8.867 -1.522 15.138 8 HE3 MET 1 HE3 MET 1 9.868 -2.729 15.982 9 H GLU 2 H GLU 2 9.016 3.767 19.869 10 HA GLU 2 HA GLU 2 7.769 3.715 22.503 11 HB2 GLU 2 HB1 GLU 2 9.653 5.050 23.528 12 HB3 GLU 2 HB2 GLU 2 9.983 3.323 23.257 13 HG2 GLU 2 HG1 GLU 2 10.955 5.506 21.379 14 HG3 GLU 2 HG2 GLU 2 11.901 4.921 22.765 15 H THR 3 H THR 3 8.429 5.224 19.532 16 HA THR 3 HA THR 3 7.323 7.816 20.502 17 HB THR 3 HB THR 3 8.472 8.993 18.907 18 HG1 THR 3 HG1 THR 3 9.442 8.012 17.089 19 HG21 THR 3 HG21 THR 3 10.854 8.358 18.975 20 HG22 THR 3 HG22 THR 3 10.076 8.168 20.558 21 HG23 THR 3 HG23 THR 3 10.397 6.740 19.546 22 HA PRO 4 HA PRO 4 3.694 6.963 18.343 23 HB2 PRO 4 HB1 PRO 4 2.852 9.323 17.195 24 HB3 PRO 4 HB2 PRO 4 2.829 8.991 18.958 25 HG2 PRO 4 HG1 PRO 4 4.932 10.477 17.381 26 HG3 PRO 4 HG2 PRO 4 4.156 10.973 18.920 27 HD2 PRO 4 HD1 PRO 4 6.598 9.765 18.878 28 HD3 PRO 4 HD2 PRO 4 5.402 9.360 20.146 29 H LEU 5 H LEU 5 5.905 8.879 16.174 30 HA LEU 5 HA LEU 5 4.629 7.979 13.793 31 HB2 LEU 5 HB1 LEU 5 5.958 10.009 13.902 32 HB3 LEU 5 HB2 LEU 5 7.424 9.056 14.235 33 HG LEU 5 HG LEU 5 7.305 8.042 12.009 34 HD11 LEU 5 HD11 LEU 5 5.675 8.822 10.315 35 HD12 LEU 5 HD12 LEU 5 4.857 8.035 11.683 36 HD13 LEU 5 HD13 LEU 5 4.866 9.811 11.551 37 HD21 LEU 5 HD21 LEU 5 7.816 10.090 10.704 38 HD22 LEU 5 HD22 LEU 5 7.038 11.085 11.957 39 HD23 LEU 5 HD23 LEU 5 8.520 10.177 12.336 40 H GLU 6 H GLU 6 7.426 6.566 15.612 41 HA GLU 6 HA GLU 6 8.002 4.516 13.750 42 HB2 GLU 6 HB1 GLU 6 9.548 4.751 15.462 43 HB3 GLU 6 HB2 GLU 6 8.300 4.744 16.730 44 HG2 GLU 6 HG1 GLU 6 9.830 2.719 16.599 45 HG3 GLU 6 HG2 GLU 6 8.081 2.411 16.673 46 H LYS 7 H LYS 7 5.331 4.654 16.246 47 HA LYS 7 HA LYS 7 4.626 1.944 15.791 48 HB2 LYS 7 HB1 LYS 7 2.650 4.069 16.562 49 HB3 LYS 7 HB2 LYS 7 2.571 2.317 16.870 50 HG2 LYS 7 HG1 LYS 7 4.218 4.428 18.220 51 HG3 LYS 7 HG2 LYS 7 3.086 3.248 18.924 52 HD2 LYS 7 HD1 LYS 7 5.791 2.519 17.791 53 HD3 LYS 7 HD2 LYS 7 5.503 2.932 19.498 54 HE2 LYS 7 HE1 LYS 7 5.528 0.596 19.474 55 HE3 LYS 7 HE2 LYS 7 3.799 1.004 19.487 56 HZ1 LYS 7 HZ1 LYS 7 4.291 -0.731 17.923 57 HZ2 LYS 7 HZ2 LYS 7 3.755 0.611 17.132 58 HZ3 LYS 7 HZ3 LYS 7 5.360 0.233 17.122 59 H ALA 8 H ALA 8 4.007 4.733 13.728 60 HA ALA 8 HA ALA 8 2.151 3.430 11.981 61 HB1 ALA 8 HB1 ALA 8 2.841 5.179 10.369 62 HB2 ALA 8 HB2 ALA 8 2.543 5.868 11.980 63 HB3 ALA 8 HB3 ALA 8 4.211 5.604 11.420 64 H LEU 9 H LEU 9 5.752 3.724 11.857 65 HA LEU 9 HA LEU 9 6.056 2.122 9.524 66 HB2 LEU 9 HB1 LEU 9 7.948 2.997 11.694 67 HB3 LEU 9 HB2 LEU 9 8.462 1.917 10.374 68 HG LEU 9 HG LEU 9 9.172 4.072 9.802 69 HD11 LEU 9 HD11 LEU 9 7.987 4.590 7.697 70 HD12 LEU 9 HD12 LEU 9 8.202 2.842 7.920 71 HD13 LEU 9 HD13 LEU 9 6.619 3.593 8.234 72 HD21 LEU 9 HD21 LEU 9 7.768 6.096 9.666 73 HD22 LEU 9 HD22 LEU 9 6.386 5.166 10.280 74 HD23 LEU 9 HD23 LEU 9 7.813 5.432 11.311 75 H THR 10 H THR 10 6.300 1.204 13.038 76 HA THR 10 HA THR 10 6.726 -1.496 12.984 77 HB THR 10 HB THR 10 4.336 -0.298 14.407 78 HG1 THR 10 HG1 THR 10 5.673 0.025 16.219 79 HG21 THR 10 HG21 THR 10 4.720 -2.089 16.076 80 HG22 THR 10 HG22 THR 10 4.472 -2.754 14.448 81 HG23 THR 10 HG23 THR 10 6.112 -2.657 15.131 82 H THR 11 H THR 11 3.578 0.110 12.348 83 HA THR 11 HA THR 11 2.052 -2.237 11.858 84 HB THR 11 HB THR 11 1.602 0.580 10.810 85 HG1 THR 11 HG1 THR 11 0.271 0.747 12.680 86 HG21 THR 11 HG21 THR 11 -0.780 -0.098 10.781 87 HG22 THR 11 HG22 THR 11 0.196 -1.146 9.728 88 HG23 THR 11 HG23 THR 11 -0.320 -1.724 11.331 89 H MET 12 H MET 12 3.575 0.093 9.546 90 HA MET 12 HA MET 12 2.879 -1.319 7.208 91 HB2 MET 12 HB1 MET 12 4.767 0.847 7.913 92 HB3 MET 12 HB2 MET 12 5.204 -0.088 6.464 93 HG2 MET 12 HG1 MET 12 3.027 0.357 5.470 94 HG3 MET 12 HG2 MET 12 2.482 1.174 6.944 95 HE1 MET 12 HE1 MET 12 2.678 4.141 4.417 96 HE2 MET 12 HE2 MET 12 2.158 2.470 4.097 97 HE3 MET 12 HE3 MET 12 1.684 3.277 5.612 98 H VAL 13 H VAL 13 5.835 -1.704 9.245 99 HA VAL 13 HA VAL 13 7.023 -3.551 7.392 100 HB VAL 13 HB VAL 13 8.630 -4.136 9.094 101 HG11 VAL 13 HG11 VAL 13 9.727 -1.931 9.304 102 HG12 VAL 13 HG12 VAL 13 9.005 -2.160 7.697 103 HG13 VAL 13 HG13 VAL 13 8.189 -1.138 8.904 104 HG21 VAL 13 HG21 VAL 13 8.755 -3.054 11.298 105 HG22 VAL 13 HG22 VAL 13 7.178 -2.298 11.002 106 HG23 VAL 13 HG23 VAL 13 7.311 -4.068 11.133 107 H THR 14 H THR 14 4.827 -3.983 10.164 108 HA THR 14 HA THR 14 5.104 -6.820 10.397 109 HB THR 14 HB THR 14 2.731 -5.035 11.047 110 HG1 THR 14 HG1 THR 14 3.700 -5.180 13.130 111 HG21 THR 14 HG21 THR 14 2.120 -6.833 12.650 112 HG22 THR 14 HG22 THR 14 2.114 -7.441 10.980 113 HG23 THR 14 HG23 THR 14 3.479 -7.816 12.058 114 H THR 15 H THR 15 2.764 -4.800 8.561 115 HA THR 15 HA THR 15 1.410 -7.073 7.424 116 HB THR 15 HB THR 15 0.325 -5.323 5.972 117 HG1 THR 15 HG1 THR 15 0.873 -3.179 6.578 118 HG21 THR 15 HG21 THR 15 -0.848 -4.208 7.846 119 HG22 THR 15 HG22 THR 15 -0.625 -5.942 8.173 120 HG23 THR 15 HG23 THR 15 0.429 -4.744 8.963 121 H PHE 16 H PHE 16 4.132 -5.030 6.249 122 HA PHE 16 HA PHE 16 4.115 -6.188 3.612 123 HB2 PHE 16 HB1 PHE 16 5.205 -4.047 4.239 124 HB3 PHE 16 HB2 PHE 16 6.383 -4.951 5.207 125 HD1 PHE 16 HD1 PHE 16 5.282 -4.089 1.787 126 HD2 PHE 16 HD2 PHE 16 8.173 -6.255 4.126 127 HE1 PHE 16 HE1 PHE 16 6.835 -4.113 -0.153 128 HE2 PHE 16 HE2 PHE 16 9.660 -6.407 2.146 129 HZ PHE 16 HZ PHE 16 9.008 -5.302 0.011 130 H HIS 17 H HIS 17 5.848 -7.068 6.668 131 HA HIS 17 HA HIS 17 7.232 -9.291 5.527 132 HB2 HIS 17 HB1 HIS 17 7.738 -8.113 7.707 133 HB3 HIS 17 HB2 HIS 17 6.380 -9.006 8.415 134 HD1 HIS 17 HD1 HIS 17 6.758 -11.894 7.717 135 HD2 HIS 17 HD2 HIS 17 10.018 -9.287 8.161 136 HE1 HIS 17 HE1 HIS 17 8.806 -13.362 8.120 137 HE2 HIS 17 HE2 HIS 17 10.808 -11.792 8.438 138 H LYS 18 H LYS 18 3.872 -8.968 6.639 139 HA LYS 18 HA LYS 18 3.174 -11.691 6.863 140 HB2 LYS 18 HB1 LYS 18 1.880 -9.515 7.391 141 HB3 LYS 18 HB2 LYS 18 1.378 -9.564 5.684 142 HG2 LYS 18 HG1 LYS 18 0.404 -11.834 6.083 143 HG3 LYS 18 HG2 LYS 18 0.817 -11.673 7.806 144 HD2 LYS 18 HD1 LYS 18 -0.541 -9.521 7.825 145 HD3 LYS 18 HD2 LYS 18 -1.095 -9.941 6.185 146 HE2 LYS 18 HE1 LYS 18 -2.025 -12.069 7.050 147 HE3 LYS 18 HE2 LYS 18 -1.481 -11.640 8.687 148 HZ1 LYS 18 HZ1 LYS 18 -3.779 -11.095 8.345 149 HZ2 LYS 18 HZ2 LYS 18 -2.903 -9.718 8.588 150 HZ3 LYS 18 HZ3 LYS 18 -3.409 -10.117 7.070 151 H TYR 19 H TYR 19 3.946 -9.884 3.957 152 HA TYR 19 HA TYR 19 2.936 -12.107 2.257 153 HB2 TYR 19 HB1 TYR 19 3.103 -9.122 1.770 154 HB3 TYR 19 HB2 TYR 19 2.808 -10.299 0.476 155 HD1 TYR 19 HD1 TYR 19 0.656 -11.625 0.453 156 HD2 TYR 19 HD2 TYR 19 1.428 -8.544 3.353 157 HE1 TYR 19 HE1 TYR 19 -1.767 -11.544 1.008 158 HE2 TYR 19 HE2 TYR 19 -0.975 -8.491 3.948 159 HH TYR 19 HH TYR 19 -3.050 -9.338 3.540 160 H SER 20 H SER 20 5.734 -9.826 2.692 161 HA SER 20 HA SER 20 7.270 -11.063 0.588 162 HB2 SER 20 HB1 SER 20 9.244 -10.107 1.865 163 HB3 SER 20 HB2 SER 20 8.011 -8.945 1.318 164 HG SER 20 HG SER 20 8.702 -8.560 3.475 165 H GLY 21 H GLY 21 6.837 -11.786 4.062 166 HA2 GLY 21 HA2 GLY 21 8.422 -13.820 3.496 167 H ARG 22 H ARG 22 6.197 -14.163 2.370 168 HA ARG 22 HA ARG 22 6.376 -17.108 2.707 169 HB2 ARG 22 HB1 ARG 22 4.184 -17.186 1.437 170 HB3 ARG 22 HB2 ARG 22 4.117 -16.555 3.100 171 HG2 ARG 22 HG1 ARG 22 3.677 -14.403 2.420 172 HG3 ARG 22 HG2 ARG 22 4.484 -14.615 0.849 173 HD2 ARG 22 HD1 ARG 22 1.976 -14.297 0.809 174 HD3 ARG 22 HD2 ARG 22 2.622 -15.686 -0.092 175 HE ARG 22 HE ARG 22 1.849 -16.505 2.534 176 HH11 ARG 22 HH12 ARG 22 0.298 -15.358 -0.419 177 HH12 ARG 22 HH11 ARG 22 -1.103 -16.377 -0.213 178 HH21 ARG 22 HH22 ARG 22 0.051 -17.893 2.689 179 HH22 ARG 22 HH21 ARG 22 -1.240 -17.789 1.517 180 H GLU 23 H GLU 23 7.685 -14.738 0.909 181 HA GLU 23 HA GLU 23 7.964 -16.414 -1.533 182 HB2 GLU 23 HB1 GLU 23 7.889 -13.385 -1.255 183 HB3 GLU 23 HB2 GLU 23 8.371 -14.244 -2.737 184 HG2 GLU 23 HG1 GLU 23 6.125 -15.330 -2.799 185 HG3 GLU 23 HG2 GLU 23 5.652 -14.386 -1.369 186 H GLY 24 H GLY 24 10.189 -14.848 -2.577 187 HA2 GLY 24 HA2 GLY 24 11.783 -15.732 -0.656 188 H SER 25 H SER 25 11.322 -13.678 0.108 189 HA SER 25 HA SER 25 13.913 -12.413 0.502 190 HB2 SER 25 HB1 SER 25 13.349 -11.613 -1.759 191 HB3 SER 25 HB2 SER 25 11.760 -11.059 -1.177 192 HG SER 25 HG SER 25 13.295 -9.358 -1.330 193 H LYS 26 H LYS 26 13.867 -10.861 2.249 194 HA LYS 26 HA LYS 26 11.162 -10.334 3.390 195 HB2 LYS 26 HB1 LYS 26 13.835 -10.361 4.839 196 HB3 LYS 26 HB2 LYS 26 12.232 -10.111 5.572 197 HG2 LYS 26 HG1 LYS 26 11.602 -12.371 4.464 198 HG3 LYS 26 HG2 LYS 26 13.355 -12.605 4.260 199 HD2 LYS 26 HD1 LYS 26 11.835 -12.322 6.853 200 HD3 LYS 26 HD2 LYS 26 12.564 -13.803 6.185 201 HE2 LYS 26 HE1 LYS 26 13.985 -11.386 7.319 202 HE3 LYS 26 HE2 LYS 26 13.933 -13.034 7.980 203 HZ1 LYS 26 HZ1 LYS 26 15.993 -12.590 6.863 204 HZ2 LYS 26 HZ2 LYS 26 15.159 -13.772 6.072 205 HZ3 LYS 26 HZ3 LYS 26 15.207 -12.242 5.457 206 H LEU 27 H LEU 27 13.207 -8.934 1.353 207 HA LEU 27 HA LEU 27 12.919 -6.140 2.316 208 HB2 LEU 27 HB1 LEU 27 14.533 -7.467 0.107 209 HB3 LEU 27 HB2 LEU 27 14.398 -5.702 0.288 210 HG LEU 27 HG LEU 27 16.512 -6.483 1.077 211 HD11 LEU 27 HD11 LEU 27 16.528 -5.471 3.320 212 HD12 LEU 27 HD12 LEU 27 15.522 -4.547 2.183 213 HD13 LEU 27 HD13 LEU 27 14.758 -5.610 3.389 214 HD21 LEU 27 HD21 LEU 27 16.797 -7.972 3.015 215 HD22 LEU 27 HD22 LEU 27 15.039 -8.215 3.079 216 HD23 LEU 27 HD23 LEU 27 15.968 -8.785 1.670 217 H THR 28 H THR 28 11.968 -8.406 -0.179 218 HA THR 28 HA THR 28 10.355 -6.394 -1.637 219 HB THR 28 HB THR 28 10.865 -7.769 -3.709 220 HG1 THR 28 HG1 THR 28 12.852 -8.926 -3.625 221 HG21 THR 28 HG21 THR 28 13.052 -6.679 -4.142 222 HG22 THR 28 HG22 THR 28 11.926 -5.570 -3.330 223 HG23 THR 28 HG23 THR 28 13.226 -6.360 -2.404 224 H LEU 29 H LEU 29 8.640 -7.386 -2.987 225 HA LEU 29 HA LEU 29 7.841 -10.141 -2.560 226 HB2 LEU 29 HB1 LEU 29 5.691 -9.849 -1.701 227 HB3 LEU 29 HB2 LEU 29 6.748 -8.866 -0.660 228 HG LEU 29 HG LEU 29 4.821 -7.880 -2.780 229 HD11 LEU 29 HD11 LEU 29 3.656 -6.867 -0.841 230 HD12 LEU 29 HD12 LEU 29 3.801 -8.630 -0.660 231 HD13 LEU 29 HD13 LEU 29 4.885 -7.550 0.250 232 HD21 LEU 29 HD21 LEU 29 5.373 -5.576 -2.096 233 HD22 LEU 29 HD22 LEU 29 6.637 -6.205 -1.020 234 HD23 LEU 29 HD23 LEU 29 6.783 -6.410 -2.783 235 H SER 30 H SER 30 5.915 -10.689 -3.981 236 HA SER 30 HA SER 30 6.300 -9.612 -6.600 237 HB2 SER 30 HB1 SER 30 4.592 -11.205 -7.293 238 HB3 SER 30 HB2 SER 30 5.733 -11.979 -6.167 239 HG SER 30 HG SER 30 3.540 -12.461 -5.682 240 H ARG 31 H ARG 31 4.870 -8.508 -8.007 241 HA ARG 31 HA ARG 31 3.151 -6.563 -6.855 242 HB2 ARG 31 HB1 ARG 31 2.507 -7.275 -9.638 243 HB3 ARG 31 HB2 ARG 31 2.840 -5.697 -8.886 244 HG2 ARG 31 HG1 ARG 31 5.319 -6.769 -8.845 245 HG3 ARG 31 HG2 ARG 31 4.652 -7.579 -10.283 246 HD2 ARG 31 HD1 ARG 31 4.701 -4.587 -9.848 247 HD3 ARG 31 HD2 ARG 31 5.918 -5.499 -10.765 248 HE ARG 31 HE ARG 31 3.130 -5.746 -11.665 249 HH11 ARG 31 HH12 ARG 31 6.353 -4.447 -12.319 250 HH12 ARG 31 HH11 ARG 31 5.894 -3.825 -13.882 251 HH21 ARG 31 HH22 ARG 31 2.577 -4.784 -13.616 252 HH22 ARG 31 HH21 ARG 31 3.799 -4.013 -14.597 253 H LYS 32 H LYS 32 2.523 -9.877 -7.852 254 HA LYS 32 HA LYS 32 -0.275 -9.971 -7.566 255 HB2 LYS 32 HB1 LYS 32 0.794 -11.816 -8.521 256 HB3 LYS 32 HB2 LYS 32 1.993 -11.925 -7.209 257 HG2 LYS 32 HG1 LYS 32 0.440 -13.795 -7.110 258 HG3 LYS 32 HG2 LYS 32 0.253 -12.749 -5.682 259 HD2 LYS 32 HD1 LYS 32 -1.659 -11.648 -7.154 260 HD3 LYS 32 HD2 LYS 32 -1.628 -13.227 -7.974 261 HE2 LYS 32 HE1 LYS 32 -3.313 -13.304 -6.247 262 HE3 LYS 32 HE2 LYS 32 -1.949 -14.326 -5.742 263 HZ1 LYS 32 HZ1 LYS 32 -2.747 -12.959 -3.952 264 HZ2 LYS 32 HZ2 LYS 32 -1.203 -12.534 -4.348 265 HZ3 LYS 32 HZ3 LYS 32 -2.468 -11.585 -4.816 266 H GLU 33 H GLU 33 2.222 -10.384 -4.898 267 HA GLU 33 HA GLU 33 0.032 -10.712 -3.008 268 HB2 GLU 33 HB1 GLU 33 3.016 -10.493 -2.639 269 HB3 GLU 33 HB2 GLU 33 1.868 -10.668 -1.290 270 HG2 GLU 33 HG1 GLU 33 2.346 -12.651 -3.530 271 HG3 GLU 33 HG2 GLU 33 2.890 -12.800 -1.845 272 H LEU 34 H LEU 34 2.233 -8.002 -3.858 273 HA LEU 34 HA LEU 34 1.449 -6.173 -1.864 274 HB2 LEU 34 HB1 LEU 34 3.281 -5.792 -3.415 275 HB3 LEU 34 HB2 LEU 34 2.155 -5.772 -4.793 276 HG LEU 34 HG LEU 34 1.105 -3.731 -3.905 277 HD11 LEU 34 HD11 LEU 34 2.145 -2.463 -2.053 278 HD12 LEU 34 HD12 LEU 34 1.545 -4.043 -1.502 279 HD13 LEU 34 HD13 LEU 34 3.285 -3.800 -1.785 280 HD21 LEU 34 HD21 LEU 34 2.982 -2.201 -4.387 281 HD22 LEU 34 HD22 LEU 34 4.130 -3.541 -4.163 282 HD23 LEU 34 HD23 LEU 34 2.967 -3.581 -5.509 283 H LYS 35 H LYS 35 -0.178 -6.910 -5.000 284 HA LYS 35 HA LYS 35 -2.271 -5.022 -4.814 285 HB2 LYS 35 HB1 LYS 35 -1.849 -6.164 -6.857 286 HB3 LYS 35 HB2 LYS 35 -1.992 -7.761 -6.086 287 HG2 LYS 35 HG1 LYS 35 -4.390 -7.436 -5.769 288 HG3 LYS 35 HG2 LYS 35 -4.280 -5.783 -6.420 289 HD2 LYS 35 HD1 LYS 35 -3.494 -8.240 -8.025 290 HD3 LYS 35 HD2 LYS 35 -5.141 -7.564 -8.033 291 HE2 LYS 35 HE1 LYS 35 -4.042 -5.315 -8.622 292 HE3 LYS 35 HE2 LYS 35 -2.560 -6.241 -8.938 293 HZ1 LYS 35 HZ1 LYS 35 -3.819 -5.874 -10.932 294 HZ2 LYS 35 HZ2 LYS 35 -3.762 -7.484 -10.584 295 HZ3 LYS 35 HZ3 LYS 35 -5.138 -6.624 -10.291 296 H GLU 36 H GLU 36 -1.964 -8.244 -3.413 297 HA GLU 36 HA GLU 36 -4.588 -8.529 -2.328 298 HB2 GLU 36 HB1 GLU 36 -2.496 -10.165 -2.780 299 HB3 GLU 36 HB2 GLU 36 -2.191 -9.811 -1.063 300 HG2 GLU 36 HG1 GLU 36 -3.494 -11.806 -1.123 301 HG3 GLU 36 HG2 GLU 36 -4.597 -10.508 -0.617 302 H LEU 37 H LEU 37 -1.473 -7.574 -0.863 303 HA LEU 37 HA LEU 37 -2.183 -7.068 1.768 304 HB2 LEU 37 HB1 LEU 37 0.046 -7.269 1.039 305 HB3 LEU 37 HB2 LEU 37 -0.148 -5.986 -0.179 306 HG LEU 37 HG LEU 37 -0.040 -4.286 1.500 307 HD11 LEU 37 HD11 LEU 37 0.406 -4.751 3.884 308 HD12 LEU 37 HD12 LEU 37 -1.170 -5.394 3.380 309 HD13 LEU 37 HD13 LEU 37 0.220 -6.489 3.572 310 HD21 LEU 37 HD21 LEU 37 2.290 -4.674 2.278 311 HD22 LEU 37 HD22 LEU 37 2.116 -6.408 1.923 312 HD23 LEU 37 HD23 LEU 37 2.074 -5.220 0.599 313 H ILE 38 H ILE 38 -2.359 -4.778 -0.972 314 HA ILE 38 HA ILE 38 -3.154 -2.494 0.547 315 HB ILE 38 HB ILE 38 -3.252 -3.147 -2.411 316 HG12 ILE 38 HG13 ILE 38 -1.385 -1.218 -1.003 317 HG13 ILE 38 HG12 ILE 38 -1.030 -2.961 -1.071 318 HG21 ILE 38 HG21 ILE 38 -3.508 -0.719 -2.849 319 HG22 ILE 38 HG22 ILE 38 -4.899 -1.366 -1.954 320 HG23 ILE 38 HG23 ILE 38 -3.653 -0.426 -1.101 321 HD11 ILE 38 HD11 ILE 38 0.125 -1.745 -2.894 322 HD12 ILE 38 HD12 ILE 38 -1.084 -2.877 -3.538 323 HD13 ILE 38 HD13 ILE 38 -1.440 -1.135 -3.472 324 H LYS 39 H LYS 39 -5.060 -5.183 -0.617 325 HA LYS 39 HA LYS 39 -7.547 -3.753 0.093 326 HB2 LYS 39 HB1 LYS 39 -6.736 -5.592 -1.991 327 HB3 LYS 39 HB2 LYS 39 -8.063 -6.319 -1.054 328 HG2 LYS 39 HG1 LYS 39 -9.133 -5.041 -2.710 329 HG3 LYS 39 HG2 LYS 39 -9.225 -4.055 -1.231 330 HD2 LYS 39 HD1 LYS 39 -7.014 -2.976 -2.267 331 HD3 LYS 39 HD2 LYS 39 -7.745 -3.561 -3.780 332 HE2 LYS 39 HE1 LYS 39 -9.021 -1.694 -1.749 333 HE3 LYS 39 HE2 LYS 39 -8.408 -1.250 -3.357 334 HZ1 LYS 39 HZ1 LYS 39 -10.787 -1.476 -3.343 335 HZ2 LYS 39 HZ2 LYS 39 -10.112 -2.621 -4.314 336 HZ3 LYS 39 HZ3 LYS 39 -10.681 -3.034 -2.822 337 H LYS 40 H LYS 40 -5.441 -6.237 1.382 338 HA LYS 40 HA LYS 40 -7.614 -7.362 3.038 339 HB2 LYS 40 HB1 LYS 40 -4.887 -8.210 2.197 340 HB3 LYS 40 HB2 LYS 40 -5.409 -8.719 3.820 341 HG2 LYS 40 HG1 LYS 40 -5.910 -10.453 2.225 342 HG3 LYS 40 HG2 LYS 40 -7.423 -9.738 2.831 343 HD2 LYS 40 HD1 LYS 40 -7.740 -8.517 0.753 344 HD3 LYS 40 HD2 LYS 40 -6.150 -9.050 0.154 345 HE2 LYS 40 HE1 LYS 40 -6.892 -11.418 0.343 346 HE3 LYS 40 HE2 LYS 40 -8.487 -10.864 0.893 347 HZ1 LYS 40 HZ1 LYS 40 -8.480 -11.376 -1.440 348 HZ2 LYS 40 HZ2 LYS 40 -8.762 -9.767 -1.214 349 HZ3 LYS 40 HZ3 LYS 40 -7.280 -10.282 -1.723 350 H GLU 41 H GLU 41 -4.343 -5.855 3.583 351 HA GLU 41 HA GLU 41 -4.982 -5.775 6.452 352 HB2 GLU 41 HB1 GLU 41 -2.491 -4.764 5.056 353 HB3 GLU 41 HB2 GLU 41 -2.708 -5.071 6.795 354 HG2 GLU 41 HG1 GLU 41 -2.717 -7.153 4.585 355 HG3 GLU 41 HG2 GLU 41 -1.408 -6.857 5.749 356 H LEU 42 H LEU 42 -4.579 -3.468 3.753 357 HA LEU 42 HA LEU 42 -5.879 -1.363 5.416 358 HB2 LEU 42 HB1 LEU 42 -3.774 -1.113 3.875 359 HB3 LEU 42 HB2 LEU 42 -4.955 -1.198 2.548 360 HG LEU 42 HG LEU 42 -4.290 1.020 2.955 361 HD11 LEU 42 HD11 LEU 42 -6.399 2.235 3.260 362 HD12 LEU 42 HD12 LEU 42 -6.579 0.811 2.222 363 HD13 LEU 42 HD13 LEU 42 -7.132 0.761 3.914 364 HD21 LEU 42 HD21 LEU 42 -4.688 2.265 5.036 365 HD22 LEU 42 HD22 LEU 42 -5.307 0.782 5.787 366 HD23 LEU 42 HD23 LEU 42 -3.606 0.881 5.276 367 H CYS 43 H CYS 43 -7.880 -0.752 4.949 368 HA CYS 43 HA CYS 43 -9.310 -0.724 2.604 369 HB2 CYS 43 HB1 CYS 43 -9.414 -3.212 2.722 370 HB3 CYS 43 HB2 CYS 43 -10.256 -3.078 4.285 371 HG CYS 43 HG CYS 43 -11.986 -3.592 2.385 372 H LEU 44 H LEU 44 -10.404 1.089 3.038 373 HA LEU 44 HA LEU 44 -11.447 1.628 5.729 374 HB2 LEU 44 HB1 LEU 44 -11.577 3.271 3.182 375 HB3 LEU 44 HB2 LEU 44 -12.001 3.825 4.820 376 HG LEU 44 HG LEU 44 -9.254 3.089 3.764 377 HD11 LEU 44 HD11 LEU 44 -8.746 5.458 4.270 378 HD12 LEU 44 HD12 LEU 44 -10.107 5.315 3.134 379 HD13 LEU 44 HD13 LEU 44 -10.412 5.690 4.848 380 HD21 LEU 44 HD21 LEU 44 -8.324 3.677 5.977 381 HD22 LEU 44 HD22 LEU 44 -9.972 3.882 6.607 382 HD23 LEU 44 HD23 LEU 44 -9.414 2.276 6.076 383 H GLY 45 H GLY 45 -12.688 0.668 2.557 384 HA2 GLY 45 HA2 GLY 45 -14.180 -0.805 3.234 385 H GLU 46 H GLU 46 -13.748 1.097 0.856 386 HA GLU 46 HA GLU 46 -14.015 -1.268 -0.892 387 HB2 GLU 46 HB1 GLU 46 -14.993 0.006 -2.638 388 HB3 GLU 46 HB2 GLU 46 -15.960 0.267 -1.167 389 HG2 GLU 46 HG1 GLU 46 -13.974 2.215 -2.358 390 HG3 GLU 46 HG2 GLU 46 -15.743 2.291 -2.524 391 H MET 47 H MET 47 -12.480 1.748 -0.102 392 HA MET 47 HA MET 47 -10.627 2.841 -0.531 393 HB2 MET 47 HB1 MET 47 -9.690 0.563 -2.276 394 HB3 MET 47 HB2 MET 47 -8.735 1.990 -1.809 395 HG2 MET 47 HG1 MET 47 -9.895 -0.157 -0.008 396 HG3 MET 47 HG2 MET 47 -8.184 0.207 -0.295 397 HE1 MET 47 HE1 MET 47 -7.899 3.755 1.534 398 HE2 MET 47 HE2 MET 47 -7.049 2.573 0.517 399 HE3 MET 47 HE3 MET 47 -8.415 3.500 -0.149 400 H LYS 48 H LYS 48 -10.418 4.627 -1.742 401 HA LYS 48 HA LYS 48 -12.911 4.945 -3.048 402 HB2 LYS 48 HB1 LYS 48 -11.469 6.390 -1.415 403 HB3 LYS 48 HB2 LYS 48 -10.753 7.036 -2.910 404 HG2 LYS 48 HG1 LYS 48 -12.418 8.539 -2.724 405 HG3 LYS 48 HG2 LYS 48 -13.358 7.261 -3.531 406 HD2 LYS 48 HD1 LYS 48 -13.290 7.892 -0.567 407 HD3 LYS 48 HD2 LYS 48 -14.634 8.183 -1.700 408 HE2 LYS 48 HE1 LYS 48 -13.600 5.399 -1.178 409 HE3 LYS 48 HE2 LYS 48 -14.765 6.172 -0.082 410 HZ1 LYS 48 HZ1 LYS 48 -15.853 4.816 -1.722 411 HZ2 LYS 48 HZ2 LYS 48 -16.260 6.396 -1.932 412 HZ3 LYS 48 HZ3 LYS 48 -15.178 5.680 -2.949 413 H GLU 49 H GLU 49 -13.453 5.949 -4.950 414 HA GLU 49 HA GLU 49 -12.437 4.421 -7.132 415 HB2 GLU 49 HB1 GLU 49 -14.591 6.563 -7.040 416 HB3 GLU 49 HB2 GLU 49 -14.339 5.385 -8.350 417 HG2 GLU 49 HG1 GLU 49 -16.186 4.589 -7.101 418 HG3 GLU 49 HG2 GLU 49 -14.810 3.566 -6.634 419 H SER 50 H SER 50 -11.216 4.889 -8.697 420 HA SER 50 HA SER 50 -10.462 6.019 -10.566 421 HB2 SER 50 HB1 SER 50 -11.672 8.153 -10.026 422 HB3 SER 50 HB2 SER 50 -10.271 8.613 -9.030 423 HG SER 50 HG SER 50 -10.116 9.387 -11.192 424 H SER 51 H SER 51 -8.324 6.259 -11.199 425 HA SER 51 HA SER 51 -6.098 6.103 -11.167 426 HB2 SER 51 HB1 SER 51 -6.245 7.345 -8.401 427 HB3 SER 51 HB2 SER 51 -4.760 7.132 -9.362 428 HG SER 51 HG SER 51 -5.680 9.225 -9.599 429 H ILE 52 H ILE 52 -7.176 5.017 -7.823 430 HA ILE 52 HA ILE 52 -5.226 3.053 -7.501 431 HB ILE 52 HB ILE 52 -6.647 3.524 -5.665 432 HG12 ILE 52 HG13 ILE 52 -7.169 0.680 -6.595 433 HG13 ILE 52 HG12 ILE 52 -5.626 1.264 -5.927 434 HG21 ILE 52 HG21 ILE 52 -9.014 2.864 -5.491 435 HG22 ILE 52 HG22 ILE 52 -8.756 4.055 -6.782 436 HG23 ILE 52 HG23 ILE 52 -8.984 2.337 -7.187 437 HD11 ILE 52 HD11 ILE 52 -6.880 -0.047 -4.254 438 HD12 ILE 52 HD12 ILE 52 -6.706 1.646 -3.763 439 HD13 ILE 52 HD13 ILE 52 -8.251 1.064 -4.430 440 H ASP 53 H ASP 53 -8.163 2.871 -9.492 441 HA ASP 53 HA ASP 53 -8.083 0.066 -9.922 442 HB2 ASP 53 HB1 ASP 53 -9.867 2.001 -10.371 443 HB3 ASP 53 HB2 ASP 53 -9.176 1.908 -12.006 444 H ASP 54 H ASP 54 -6.501 2.750 -11.785 445 HA ASP 54 HA ASP 54 -5.174 0.745 -13.447 446 HB2 ASP 54 HB1 ASP 54 -5.927 3.061 -14.320 447 HB3 ASP 54 HB2 ASP 54 -4.447 3.669 -13.546 448 H LEU 55 H LEU 55 -4.309 2.520 -10.491 449 HA LEU 55 HA LEU 55 -1.496 1.907 -10.668 450 HB2 LEU 55 HB1 LEU 55 -3.328 2.292 -8.284 451 HB3 LEU 55 HB2 LEU 55 -1.566 2.079 -8.168 452 HG LEU 55 HG LEU 55 -2.866 4.292 -9.774 453 HD11 LEU 55 HD11 LEU 55 -2.402 5.792 -7.856 454 HD12 LEU 55 HD12 LEU 55 -3.547 4.505 -7.409 455 HD13 LEU 55 HD13 LEU 55 -1.842 4.398 -6.905 456 HD21 LEU 55 HD21 LEU 55 -0.645 5.370 -9.589 457 HD22 LEU 55 HD22 LEU 55 -0.049 3.974 -8.666 458 HD23 LEU 55 HD23 LEU 55 -0.530 3.777 -10.368 459 H MET 56 H MET 56 -4.287 0.168 -9.241 460 HA MET 56 HA MET 56 -2.972 -2.298 -8.730 461 HB2 MET 56 HB1 MET 56 -5.866 -1.567 -9.279 462 HB3 MET 56 HB2 MET 56 -5.344 -3.214 -8.854 463 HG2 MET 56 HG1 MET 56 -4.868 -0.724 -7.182 464 HG3 MET 56 HG2 MET 56 -6.138 -1.926 -6.891 465 HE1 MET 56 HE1 MET 56 -4.605 -3.672 -4.179 466 HE2 MET 56 HE2 MET 56 -5.443 -2.128 -4.489 467 HE3 MET 56 HE3 MET 56 -5.987 -3.613 -5.305 468 H LYS 57 H LYS 57 -4.576 -1.061 -11.725 469 HA LYS 57 HA LYS 57 -3.853 -3.490 -13.137 470 HB2 LYS 57 HB1 LYS 57 -5.852 -1.822 -13.541 471 HB3 LYS 57 HB2 LYS 57 -4.678 -1.081 -14.655 472 HG2 LYS 57 HG1 LYS 57 -5.170 -4.042 -14.752 473 HG3 LYS 57 HG2 LYS 57 -6.341 -2.926 -15.493 474 HD2 LYS 57 HD1 LYS 57 -5.116 -2.890 -17.332 475 HD3 LYS 57 HD2 LYS 57 -3.790 -2.138 -16.413 476 HE2 LYS 57 HE1 LYS 57 -3.062 -4.104 -17.717 477 HE3 LYS 57 HE2 LYS 57 -2.800 -4.299 -15.970 478 HZ1 LYS 57 HZ1 LYS 57 -3.640 -6.297 -16.973 479 HZ2 LYS 57 HZ2 LYS 57 -4.735 -5.692 -15.902 480 HZ3 LYS 57 HZ3 LYS 57 -4.977 -5.510 -17.524 481 H SER 58 H SER 58 -2.085 -0.695 -12.317 482 HA SER 58 HA SER 58 0.030 -1.063 -14.243 483 HB2 SER 58 HB1 SER 58 -0.371 1.079 -12.933 484 HB3 SER 58 HB2 SER 58 0.352 0.245 -11.536 485 HG SER 58 HG SER 58 1.901 1.400 -12.783 486 H LEU 59 H LEU 59 -0.458 -2.154 -10.788 487 HA LEU 59 HA LEU 59 1.733 -3.936 -10.759 488 HB2 LEU 59 HB1 LEU 59 -1.003 -4.397 -9.538 489 HB3 LEU 59 HB2 LEU 59 0.514 -5.215 -9.092 490 HG LEU 59 HG LEU 59 -0.224 -2.309 -8.655 491 HD11 LEU 59 HD11 LEU 59 0.006 -2.900 -6.260 492 HD12 LEU 59 HD12 LEU 59 -1.207 -3.922 -7.066 493 HD13 LEU 59 HD13 LEU 59 0.414 -4.570 -6.715 494 HD21 LEU 59 HD21 LEU 59 1.953 -2.011 -7.517 495 HD22 LEU 59 HD22 LEU 59 2.415 -3.660 -7.984 496 HD23 LEU 59 HD23 LEU 59 2.166 -2.415 -9.232 497 H ASP 60 H ASP 60 -1.554 -4.412 -12.009 498 HA ASP 60 HA ASP 60 -1.214 -7.026 -13.131 499 HB2 ASP 60 HB1 ASP 60 -3.271 -5.422 -12.423 500 HB3 ASP 60 HB2 ASP 60 -3.254 -5.116 -14.174 501 H LYS 61 H LYS 61 0.118 -4.132 -14.358 502 HA LYS 61 HA LYS 61 -0.377 -4.577 -17.179 503 HB2 LYS 61 HB1 LYS 61 0.612 -2.547 -15.596 504 HB3 LYS 61 HB2 LYS 61 2.064 -3.119 -16.450 505 HG2 LYS 61 HG1 LYS 61 1.362 -1.492 -17.866 506 HG3 LYS 61 HG2 LYS 61 0.555 -2.917 -18.565 507 HD2 LYS 61 HD1 LYS 61 -0.953 -1.072 -18.693 508 HD3 LYS 61 HD2 LYS 61 -1.561 -2.194 -17.452 509 HE2 LYS 61 HE1 LYS 61 -0.977 -0.729 -15.685 510 HE3 LYS 61 HE2 LYS 61 0.056 0.263 -16.736 511 HZ1 LYS 61 HZ1 LYS 61 -2.009 1.368 -16.221 512 HZ2 LYS 61 HZ2 LYS 61 -1.924 1.046 -17.834 513 HZ3 LYS 61 HZ3 LYS 61 -2.884 0.126 -16.858 514 H ASN 62 H ASN 62 1.981 -5.772 -14.893 515 HA ASN 62 HA ASN 62 2.146 -8.202 -16.578 516 HB2 ASN 62 HB1 ASN 62 4.382 -6.668 -15.445 517 HB3 ASN 62 HB2 ASN 62 4.386 -8.385 -14.991 518 HD21 ASN 62 HD21 ASN 62 3.418 -6.817 -18.119 519 HD22 ASN 62 HD22 ASN 62 4.579 -7.715 -19.087 520 H SER 63 H SER 63 3.588 -8.555 -13.515 521 HA SER 63 HA SER 63 1.958 -8.172 -11.464 522 HB2 SER 63 HB1 SER 63 0.949 -10.691 -12.771 523 HB3 SER 63 HB2 SER 63 0.893 -10.485 -11.004 524 HG SER 63 HG SER 63 -1.020 -9.755 -12.046 525 H ASP 64 H ASP 64 4.168 -10.402 -13.010 526 HA ASP 64 HA ASP 64 4.864 -11.651 -10.395 527 HB2 ASP 64 HB1 ASP 64 4.768 -12.795 -13.188 528 HB3 ASP 64 HB2 ASP 64 5.701 -13.557 -11.883 529 H GLN 65 H GLN 65 6.019 -9.855 -10.036 530 HA GLN 65 HA GLN 65 8.783 -9.779 -10.915 531 HB2 GLN 65 HB1 GLN 65 7.829 -7.096 -11.034 532 HB3 GLN 65 HB2 GLN 65 8.696 -8.033 -12.274 533 HG2 GLN 65 HG1 GLN 65 5.873 -8.603 -12.372 534 HG3 GLN 65 HG2 GLN 65 6.164 -6.852 -12.438 535 HE21 GLN 65 HE12 GLN 65 7.058 -9.962 -14.041 536 HE22 GLN 65 HE22 GLN 65 7.347 -9.222 -15.599 537 H GLU 66 H GLU 66 9.961 -8.321 -9.377 538 HA GLU 66 HA GLU 66 8.544 -8.308 -6.809 539 HB2 GLU 66 HB1 GLU 66 11.449 -7.862 -7.535 540 HB3 GLU 66 HB2 GLU 66 10.810 -7.749 -5.878 541 HG2 GLU 66 HG1 GLU 66 10.184 -10.078 -5.883 542 HG3 GLU 66 HG2 GLU 66 10.546 -10.230 -7.616 543 H ILE 67 H ILE 67 8.209 -6.619 -5.505 544 HA ILE 67 HA ILE 67 9.200 -3.902 -6.228 545 HB ILE 67 HB ILE 67 6.516 -4.848 -5.223 546 HG12 ILE 67 HG13 ILE 67 7.273 -2.696 -7.229 547 HG13 ILE 67 HG12 ILE 67 7.064 -4.410 -7.658 548 HG21 ILE 67 HG21 ILE 67 5.922 -2.551 -4.548 549 HG22 ILE 67 HG22 ILE 67 7.237 -3.204 -3.547 550 HG23 ILE 67 HG23 ILE 67 7.598 -2.035 -4.839 551 HD11 ILE 67 HD11 ILE 67 5.032 -3.103 -8.197 552 HD12 ILE 67 HD12 ILE 67 4.712 -4.308 -6.931 553 HD13 ILE 67 HD13 ILE 67 4.920 -2.593 -6.499 554 H ASP 68 H ASP 68 10.204 -2.770 -4.558 555 HA ASP 68 HA ASP 68 10.660 -4.204 -2.037 556 HB2 ASP 68 HB1 ASP 68 12.421 -2.673 -1.585 557 HB3 ASP 68 HB2 ASP 68 12.572 -3.242 -3.260 558 H PHE 69 H PHE 69 10.817 -2.732 -0.025 559 HA PHE 69 HA PHE 69 8.384 -1.996 0.968 560 HB2 PHE 69 HB1 PHE 69 11.230 -1.191 1.485 561 HB3 PHE 69 HB2 PHE 69 9.955 -0.295 2.328 562 HD1 PHE 69 HD2 PHE 69 8.382 -1.492 3.840 563 HD2 PHE 69 HD1 PHE 69 11.851 -3.429 2.178 564 HE1 PHE 69 HE2 PHE 69 8.367 -3.122 5.710 565 HE2 PHE 69 HE1 PHE 69 11.883 -5.013 4.100 566 HZ PHE 69 HZ PHE 69 10.165 -4.824 5.887 567 H LYS 70 H LYS 70 10.346 0.087 -1.176 568 HA LYS 70 HA LYS 70 9.381 2.621 -0.213 569 HB2 LYS 70 HB1 LYS 70 11.476 1.841 -1.574 570 HB3 LYS 70 HB2 LYS 70 10.398 1.989 -2.983 571 HG2 LYS 70 HG1 LYS 70 10.061 4.420 -2.215 572 HG3 LYS 70 HG2 LYS 70 11.504 4.149 -1.209 573 HD2 LYS 70 HD1 LYS 70 11.232 3.986 -4.220 574 HD3 LYS 70 HD2 LYS 70 12.317 5.020 -3.261 575 HE2 LYS 70 HE1 LYS 70 13.808 3.492 -4.128 576 HE3 LYS 70 HE2 LYS 70 13.417 2.730 -2.573 577 HZ1 LYS 70 HZ1 LYS 70 13.357 1.153 -4.374 578 HZ2 LYS 70 HZ2 LYS 70 11.852 1.327 -3.724 579 HZ3 LYS 70 HZ3 LYS 70 12.214 2.035 -5.169 580 H GLU 71 H GLU 71 8.580 0.526 -3.000 581 HA GLU 71 HA GLU 71 6.733 2.510 -4.059 582 HB2 GLU 71 HB1 GLU 71 6.983 -0.195 -5.280 583 HB3 GLU 71 HB2 GLU 71 6.820 1.406 -6.040 584 HG2 GLU 71 HG1 GLU 71 9.333 0.310 -4.734 585 HG3 GLU 71 HG2 GLU 71 9.011 0.363 -6.482 586 H TYR 72 H TYR 72 6.533 -0.598 -2.333 587 HA TYR 72 HA TYR 72 3.751 -0.797 -2.033 588 HB2 TYR 72 HB1 TYR 72 4.974 -2.454 -1.000 589 HB3 TYR 72 HB2 TYR 72 6.173 -1.320 -0.355 590 HD1 TYR 72 HD1 TYR 72 2.461 -1.918 0.086 591 HD2 TYR 72 HD2 TYR 72 6.264 -1.144 1.950 592 HE1 TYR 72 HE1 TYR 72 1.434 -2.258 2.321 593 HE2 TYR 72 HE2 TYR 72 5.251 -1.532 4.186 594 HH TYR 72 HH TYR 72 3.346 -2.213 5.334 595 H SER 73 H SER 73 5.998 1.368 -0.214 596 HA SER 73 HA SER 73 3.908 2.510 1.381 597 HB2 SER 73 HB1 SER 73 6.288 2.361 2.052 598 HB3 SER 73 HB2 SER 73 6.695 3.560 0.801 599 HG SER 73 HG SER 73 6.339 4.504 2.855 600 H VAL 74 H VAL 74 5.602 3.762 -1.612 601 HA VAL 74 HA VAL 74 4.166 6.208 -1.557 602 HB VAL 74 HB VAL 74 4.797 6.735 -3.701 603 HG11 VAL 74 HG11 VAL 74 7.227 6.414 -3.726 604 HG12 VAL 74 HG12 VAL 74 6.608 6.759 -2.098 605 HG13 VAL 74 HG13 VAL 74 7.054 5.096 -2.549 606 HG21 VAL 74 HG21 VAL 74 5.764 5.276 -5.416 607 HG22 VAL 74 HG22 VAL 74 5.515 3.881 -4.352 608 HG23 VAL 74 HG23 VAL 74 4.118 4.794 -4.967 609 H PHE 75 H PHE 75 3.226 3.030 -2.890 610 HA PHE 75 HA PHE 75 0.946 3.937 -4.353 611 HB2 PHE 75 HB1 PHE 75 2.150 1.681 -4.349 612 HB3 PHE 75 HB2 PHE 75 1.262 1.318 -2.861 613 HD1 PHE 75 HD1 PHE 75 -1.460 1.856 -3.184 614 HD2 PHE 75 HD2 PHE 75 1.356 0.668 -6.216 615 HE1 PHE 75 HE1 PHE 75 -3.317 0.937 -4.556 616 HE2 PHE 75 HE2 PHE 75 -0.493 -0.295 -7.555 617 HZ PHE 75 HZ PHE 75 -2.832 -0.136 -6.741 618 H LEU 76 H LEU 76 1.208 2.744 -0.923 619 HA LEU 76 HA LEU 76 -1.524 3.161 -0.260 620 HB2 LEU 76 HB1 LEU 76 1.034 3.068 1.364 621 HB3 LEU 76 HB2 LEU 76 -0.574 3.215 2.113 622 HG LEU 76 HG LEU 76 0.317 0.919 0.327 623 HD11 LEU 76 HD11 LEU 76 0.398 -0.366 2.446 624 HD12 LEU 76 HD12 LEU 76 1.534 1.004 2.485 625 HD13 LEU 76 HD13 LEU 76 -0.015 1.107 3.356 626 HD21 LEU 76 HD21 LEU 76 -1.728 -0.211 1.156 627 HD22 LEU 76 HD22 LEU 76 -2.164 1.253 2.068 628 HD23 LEU 76 HD23 LEU 76 -2.130 1.288 0.289 629 H THR 77 H THR 77 1.305 5.245 0.154 630 HA THR 77 HA THR 77 0.201 7.568 1.303 631 HB THR 77 HB THR 77 2.478 7.119 -0.655 632 HG1 THR 77 HG1 THR 77 3.662 7.038 1.319 633 HG21 THR 77 HG21 THR 77 3.546 9.126 0.301 634 HG22 THR 77 HG22 THR 77 2.007 9.519 -0.492 635 HG23 THR 77 HG23 THR 77 2.097 9.415 1.283 636 H MET 78 H MET 78 0.563 6.663 -2.133 637 HA MET 78 HA MET 78 -0.526 9.053 -3.268 638 HB2 MET 78 HB1 MET 78 1.008 7.593 -4.429 639 HB3 MET 78 HB2 MET 78 -0.125 6.228 -4.289 640 HG2 MET 78 HG1 MET 78 -1.555 7.087 -5.905 641 HG3 MET 78 HG2 MET 78 -0.879 8.719 -5.781 642 HE1 MET 78 HE1 MET 78 1.929 5.429 -7.509 643 HE2 MET 78 HE2 MET 78 1.794 5.905 -5.804 644 HE3 MET 78 HE3 MET 78 0.477 4.996 -6.583 645 H LEU 79 H LEU 79 -2.025 5.885 -2.415 646 HA LEU 79 HA LEU 79 -4.647 6.506 -3.281 647 HB2 LEU 79 HB1 LEU 79 -3.338 4.486 -1.689 648 HB3 LEU 79 HB2 LEU 79 -4.835 5.003 -0.877 649 HG LEU 79 HG LEU 79 -5.275 3.103 -2.300 650 HD11 LEU 79 HD11 LEU 79 -7.095 3.977 -3.711 651 HD12 LEU 79 HD12 LEU 79 -7.070 4.754 -2.112 652 HD13 LEU 79 HD13 LEU 79 -6.439 5.619 -3.534 653 HD21 LEU 79 HD21 LEU 79 -4.894 3.164 -4.735 654 HD22 LEU 79 HD22 LEU 79 -4.163 4.779 -4.578 655 HD23 LEU 79 HD23 LEU 79 -3.376 3.369 -3.828 656 H CYS 80 H CYS 80 -3.024 7.177 -0.158 657 HA CYS 80 HA CYS 80 -5.230 8.162 1.280 658 HB2 CYS 80 HB1 CYS 80 -2.947 7.444 2.074 659 HB3 CYS 80 HB2 CYS 80 -2.318 9.007 1.493 660 HG CYS 80 HG CYS 80 -2.582 9.066 4.090 661 H MET 81 H MET 81 -3.140 9.866 -1.041 662 HA MET 81 HA MET 81 -4.261 12.479 -0.573 663 HB2 MET 81 HB1 MET 81 -2.636 11.310 -2.864 664 HB3 MET 81 HB2 MET 81 -3.018 13.039 -2.670 665 HG2 MET 81 HG1 MET 81 -1.428 11.317 -0.734 666 HG3 MET 81 HG2 MET 81 -0.759 12.518 -1.852 667 HE1 MET 81 HE1 MET 81 -1.637 15.902 -0.386 668 HE2 MET 81 HE2 MET 81 -0.591 14.966 -1.483 669 HE3 MET 81 HE3 MET 81 -2.348 15.022 -1.762 670 H ALA 82 H ALA 82 -5.503 9.751 -2.320 671 HA ALA 82 HA ALA 82 -7.041 11.367 -4.207 672 HB1 ALA 82 HB1 ALA 82 -7.820 9.171 -5.026 673 HB2 ALA 82 HB2 ALA 82 -6.046 9.224 -4.887 674 HB3 ALA 82 HB3 ALA 82 -7.011 8.375 -3.656 675 H TYR 83 H TYR 83 -7.556 10.845 -0.929 676 HA TYR 83 HA TYR 83 -10.440 11.153 -1.253 677 HB2 TYR 83 HB1 TYR 83 -11.051 9.217 0.094 678 HB3 TYR 83 HB2 TYR 83 -10.223 8.776 -1.409 679 HD1 TYR 83 HD2 TYR 83 -9.587 9.282 2.250 680 HD2 TYR 83 HD1 TYR 83 -8.543 7.113 -1.327 681 HE1 TYR 83 HE2 TYR 83 -8.026 7.874 3.566 682 HE2 TYR 83 HE1 TYR 83 -7.017 5.669 0.005 683 HH TYR 83 HH TYR 83 -6.464 6.221 3.524 684 H ASN 84 H ASN 84 -7.863 12.358 0.319 685 HA ASN 84 HA ASN 84 -9.450 12.919 2.761 686 HB2 ASN 84 HB1 ASN 84 -6.497 12.549 2.377 687 HB3 ASN 84 HB2 ASN 84 -7.122 13.498 3.745 688 HD21 ASN 84 HD21 ASN 84 -5.753 10.719 3.461 689 HD22 ASN 84 HD22 ASN 84 -6.769 9.680 4.446 690 H ASP 85 H ASP 85 -10.477 14.463 1.269 691 HA ASP 85 HA ASP 85 -9.656 16.988 0.548 692 HB2 ASP 85 HB1 ASP 85 -12.207 16.228 2.033 693 HB3 ASP 85 HB2 ASP 85 -11.983 17.647 0.987 694 H PHE 86 H PHE 86 -9.928 15.763 3.837 695 HA PHE 86 HA PHE 86 -10.130 18.093 5.372 696 HB2 PHE 86 HB1 PHE 86 -8.360 15.725 6.035 697 HB3 PHE 86 HB2 PHE 86 -9.272 16.758 7.149 698 HD1 PHE 86 HD1 PHE 86 -11.902 16.693 6.897 699 HD2 PHE 86 HD2 PHE 86 -9.237 13.665 5.385 700 HE1 PHE 86 HE1 PHE 86 -13.801 15.097 6.737 701 HE2 PHE 86 HE2 PHE 86 -11.141 12.083 5.190 702 HZ PHE 86 HZ PHE 86 -13.424 12.798 5.870 703 H PHE 87 H PHE 87 -7.363 16.906 3.518 704 HA PHE 87 HA PHE 87 -5.439 18.620 4.884 705 HB2 PHE 87 HB1 PHE 87 -5.138 17.085 2.295 706 HB3 PHE 87 HB2 PHE 87 -3.844 17.719 3.324 707 HD1 PHE 87 HD2 PHE 87 -5.315 16.658 5.989 708 HD2 PHE 87 HD1 PHE 87 -4.060 14.911 2.258 709 HE1 PHE 87 HE2 PHE 87 -5.336 14.404 7.035 710 HE2 PHE 87 HE1 PHE 87 -3.951 12.682 3.344 711 HZ PHE 87 HZ PHE 87 -4.716 12.409 5.693 712 H LEU 88 H LEU 88 -7.754 19.102 2.481 713 HA LEU 88 HA LEU 88 -6.368 21.300 1.096 714 HB2 LEU 88 HB1 LEU 88 -8.777 19.580 0.532 715 HB3 LEU 88 HB2 LEU 88 -8.499 21.102 -0.347 716 HG LEU 88 HG LEU 88 -7.770 19.214 -1.650 717 HD11 LEU 88 HD11 LEU 88 -5.457 19.918 -2.176 718 HD12 LEU 88 HD12 LEU 88 -6.518 21.312 -1.889 719 HD13 LEU 88 HD13 LEU 88 -5.378 20.784 -0.627 720 HD21 LEU 88 HD21 LEU 88 -5.870 17.756 -1.037 721 HD22 LEU 88 HD22 LEU 88 -5.793 18.544 0.552 722 HD23 LEU 88 HD23 LEU 88 -7.224 17.587 0.098 723 H GLU 89 H GLU 89 -9.641 21.842 0.996 724 HA GLU 89 HA GLU 89 -10.030 23.688 3.149 725 HB2 GLU 89 HB1 GLU 89 -8.061 24.779 2.094 726 HB3 GLU 89 HB2 GLU 89 -8.918 24.808 0.535 727 HG2 GLU 89 HG1 GLU 89 -10.680 26.257 1.694 728 HG3 GLU 89 HG2 GLU 89 -9.527 26.409 3.037 729 H ASP 90 H ASP 90 -10.535 22.698 -0.143 730 HA ASP 90 HA ASP 90 -13.200 22.977 -0.738 731 HB2 ASP 90 HB1 ASP 90 -13.248 25.268 -0.128 732 HB3 ASP 90 HB2 ASP 90 -11.694 25.597 -0.926 733 H ASN 91 H ASN 91 -13.095 23.665 -3.378 734 HA ASN 91 HA ASN 91 -11.776 21.614 -4.739 735 HB2 ASN 91 HB1 ASN 91 -12.943 24.268 -5.658 736 HB3 ASN 91 HB2 ASN 91 -12.475 22.954 -6.758 737 HD21 ASN 91 HD21 ASN 91 -14.732 23.786 -4.082 738 HD22 ASN 91 HD22 ASN 91 -15.962 22.623 -4.552 739 H LYS 92 H LYS 92 -9.582 21.630 -4.161 740 HA LYS 92 HA LYS 92 -7.734 23.202 -5.784 741 HB2 LYS 92 HB1 LYS 92 -7.764 23.260 -2.750 742 HB3 LYS 92 HB2 LYS 92 -6.279 23.556 -3.686 743 HG2 LYS 92 HG1 LYS 92 -6.891 25.711 -3.610 744 HG3 LYS 92 HG2 LYS 92 -8.047 25.270 -4.890 745 HD2 LYS 92 HD1 LYS 92 -9.766 24.848 -3.094 746 HD3 LYS 92 HD2 LYS 92 -8.608 25.491 -1.906 747 HE2 LYS 92 HE1 LYS 92 -8.464 27.598 -3.258 748 HE3 LYS 92 HE2 LYS 92 -9.724 26.956 -4.334 749 HZ1 LYS 92 HZ1 LYS 92 -10.633 28.398 -2.664 750 HZ2 LYS 92 HZ2 LYS 92 -11.194 26.862 -2.454 751 HZ3 LYS 92 HZ3 LYS 92 -10.026 27.460 -1.454 752 HA MET 1 HA MET 1 -15.051 -0.543 9.084 753 HB2 MET 1 HB1 MET 1 -12.975 -0.436 6.860 754 HB3 MET 1 HB2 MET 1 -13.134 -1.673 8.129 755 HG2 MET 1 HG1 MET 1 -14.942 -1.168 5.757 756 HG3 MET 1 HG2 MET 1 -14.015 -2.629 6.140 757 HE1 MET 1 HE1 MET 1 -16.253 -4.784 8.176 758 HE2 MET 1 HE2 MET 1 -15.270 -4.671 6.697 759 HE3 MET 1 HE3 MET 1 -14.571 -4.210 8.268 760 H GLU 2 H GLU 2 -12.966 -0.401 10.611 761 HA GLU 2 HA GLU 2 -10.986 1.073 8.941 762 HB2 GLU 2 HB1 GLU 2 -9.601 1.475 10.904 763 HB3 GLU 2 HB2 GLU 2 -11.181 2.286 11.027 764 HG2 GLU 2 HG1 GLU 2 -11.934 0.829 12.713 765 HG3 GLU 2 HG2 GLU 2 -10.708 -0.400 12.333 766 H THR 3 H THR 3 -8.758 0.077 9.381 767 HA THR 3 HA THR 3 -8.723 -2.853 9.714 768 HB THR 3 HB THR 3 -7.258 -2.801 7.524 769 HG1 THR 3 HG1 THR 3 -8.145 -1.306 6.038 770 HG21 THR 3 HG21 THR 3 -9.239 -3.403 6.173 771 HG22 THR 3 HG22 THR 3 -9.316 -4.129 7.794 772 HG23 THR 3 HG23 THR 3 -10.295 -2.692 7.415 773 HA PRO 4 HA PRO 4 -5.184 -1.995 11.823 774 HB2 PRO 4 HB1 PRO 4 -3.381 -4.035 11.391 775 HB3 PRO 4 HB2 PRO 4 -4.943 -4.238 12.246 776 HG2 PRO 4 HG1 PRO 4 -4.360 -4.777 9.323 777 HG3 PRO 4 HG2 PRO 4 -5.166 -5.869 10.496 778 HD2 PRO 4 HD1 PRO 4 -6.621 -4.320 8.813 779 HD3 PRO 4 HD2 PRO 4 -7.125 -4.498 10.521 780 H LEU 5 H LEU 5 -4.267 -2.466 8.351 781 HA LEU 5 HA LEU 5 -1.711 -1.204 8.723 782 HB2 LEU 5 HB1 LEU 5 -2.273 -2.739 6.873 783 HB3 LEU 5 HB2 LEU 5 -3.311 -1.469 6.179 784 HG LEU 5 HG LEU 5 -1.476 -0.122 5.598 785 HD11 LEU 5 HD11 LEU 5 0.887 -0.560 6.205 786 HD12 LEU 5 HD12 LEU 5 -0.111 -0.277 7.646 787 HD13 LEU 5 HD13 LEU 5 0.369 -1.934 7.204 788 HD21 LEU 5 HD21 LEU 5 -0.098 -1.658 4.211 789 HD22 LEU 5 HD22 LEU 5 -0.657 -3.037 5.188 790 HD23 LEU 5 HD23 LEU 5 -1.813 -2.132 4.182 791 H GLU 6 H GLU 6 -4.958 0.150 8.336 792 HA GLU 6 HA GLU 6 -4.190 2.749 7.509 793 HB2 GLU 6 HB1 GLU 6 -6.504 1.946 7.556 794 HB3 GLU 6 HB2 GLU 6 -6.462 1.914 9.335 795 HG2 GLU 6 HG1 GLU 6 -7.631 3.898 8.312 796 HG3 GLU 6 HG2 GLU 6 -6.340 4.284 9.471 797 H LYS 7 H LYS 7 -3.830 1.160 10.658 798 HA LYS 7 HA LYS 7 -3.261 3.477 12.179 799 HB2 LYS 7 HB1 LYS 7 -2.084 0.720 12.564 800 HB3 LYS 7 HB2 LYS 7 -2.246 2.008 13.783 801 HG2 LYS 7 HG1 LYS 7 -4.423 0.332 12.523 802 HG3 LYS 7 HG2 LYS 7 -3.949 0.424 14.236 803 HD2 LYS 7 HD1 LYS 7 -4.696 2.881 14.154 804 HD3 LYS 7 HD2 LYS 7 -5.447 2.490 12.589 805 HE2 LYS 7 HE1 LYS 7 -6.671 0.622 13.652 806 HE3 LYS 7 HE2 LYS 7 -5.927 1.025 15.213 807 HZ1 LYS 7 HZ1 LYS 7 -8.132 1.915 15.023 808 HZ2 LYS 7 HZ2 LYS 7 -7.032 3.138 15.122 809 HZ3 LYS 7 HZ3 LYS 7 -7.722 2.763 13.672 810 H ALA 8 H ALA 8 -1.238 1.999 9.685 811 HA ALA 8 HA ALA 8 1.033 3.663 10.322 812 HB1 ALA 8 HB1 ALA 8 1.752 3.153 8.026 813 HB2 ALA 8 HB2 ALA 8 1.231 1.686 8.891 814 HB3 ALA 8 HB3 ALA 8 0.158 2.437 7.686 815 H LEU 9 H LEU 9 -1.479 4.054 7.746 816 HA LEU 9 HA LEU 9 -0.594 6.560 6.850 817 HB2 LEU 9 HB1 LEU 9 -3.230 5.105 6.677 818 HB3 LEU 9 HB2 LEU 9 -2.981 6.696 5.920 819 HG LEU 9 HG LEU 9 -2.835 4.998 4.269 820 HD11 LEU 9 HD11 LEU 9 -0.606 5.431 3.300 821 HD12 LEU 9 HD12 LEU 9 -1.320 6.902 3.994 822 HD13 LEU 9 HD13 LEU 9 -0.045 6.028 4.877 823 HD21 LEU 9 HD21 LEU 9 -1.158 3.188 4.267 824 HD22 LEU 9 HD22 LEU 9 -0.613 3.703 5.877 825 HD23 LEU 9 HD23 LEU 9 -2.260 3.064 5.655 826 H THR 10 H THR 10 -3.460 5.927 8.988 827 HA THR 10 HA THR 10 -4.181 8.538 9.607 828 HB THR 10 HB THR 10 -4.354 5.948 11.140 829 HG1 THR 10 HG1 THR 10 -6.562 6.370 10.609 830 HG21 THR 10 HG21 THR 10 -5.946 7.041 12.717 831 HG22 THR 10 HG22 THR 10 -4.320 7.736 12.874 832 HG23 THR 10 HG23 THR 10 -5.582 8.615 11.979 833 H THR 11 H THR 11 -1.645 6.572 11.262 834 HA THR 11 HA THR 11 -1.025 8.594 13.204 835 HB THR 11 HB THR 11 0.702 6.315 12.187 836 HG1 THR 11 HG1 THR 11 -0.184 5.289 14.049 837 HG21 THR 11 HG21 THR 11 1.790 6.454 14.418 838 HG22 THR 11 HG22 THR 11 1.982 7.973 13.516 839 HG23 THR 11 HG23 THR 11 0.773 7.855 14.819 840 H MET 12 H MET 12 0.397 7.775 10.015 841 HA MET 12 HA MET 12 2.497 9.700 10.056 842 HB2 MET 12 HB1 MET 12 1.005 8.210 7.884 843 HB3 MET 12 HB2 MET 12 2.289 9.380 7.499 844 HG2 MET 12 HG1 MET 12 3.949 8.096 8.532 845 HG3 MET 12 HG2 MET 12 2.781 7.188 9.505 846 HE1 MET 12 HE1 MET 12 4.861 5.694 5.911 847 HE2 MET 12 HE2 MET 12 4.819 7.439 6.255 848 HE3 MET 12 HE3 MET 12 5.379 6.298 7.502 849 H VAL 13 H VAL 13 -0.858 9.947 8.663 850 HA VAL 13 HA VAL 13 -0.453 12.667 7.852 851 HB VAL 13 HB VAL 13 -2.814 12.845 7.453 852 HG11 VAL 13 HG11 VAL 13 -3.034 11.060 5.759 853 HG12 VAL 13 HG12 VAL 13 -1.393 11.744 5.784 854 HG13 VAL 13 HG13 VAL 13 -1.713 10.164 6.539 855 HG21 VAL 13 HG21 VAL 13 -4.417 11.017 7.838 856 HG22 VAL 13 HG22 VAL 13 -3.156 10.103 8.691 857 HG23 VAL 13 HG23 VAL 13 -3.750 11.643 9.359 858 H THR 14 H THR 14 -1.673 11.228 10.901 859 HA THR 14 HA THR 14 -2.537 13.696 12.061 860 HB THR 14 HB THR 14 -1.597 11.156 13.430 861 HG1 THR 14 HG1 THR 14 -3.885 10.884 13.537 862 HG21 THR 14 HG21 THR 14 -2.947 11.969 15.359 863 HG22 THR 14 HG22 THR 14 -1.620 13.092 14.997 864 HG23 THR 14 HG23 THR 14 -3.279 13.479 14.482 865 H THR 15 H THR 15 0.645 11.970 12.277 866 HA THR 15 HA THR 15 1.818 14.014 13.912 867 HB THR 15 HB THR 15 4.028 13.004 13.074 868 HG1 THR 15 HG1 THR 15 3.736 10.906 12.220 869 HG21 THR 15 HG21 THR 15 3.777 11.064 14.583 870 HG22 THR 15 HG22 THR 15 3.034 12.523 15.273 871 HG23 THR 15 HG23 THR 15 2.012 11.264 14.539 872 H PHE 16 H PHE 16 1.799 13.504 10.350 873 HA PHE 16 HA PHE 16 3.460 15.717 9.674 874 HB2 PHE 16 HB1 PHE 16 2.676 13.792 8.253 875 HB3 PHE 16 HB2 PHE 16 1.081 14.561 8.185 876 HD1 PHE 16 HD1 PHE 16 1.113 17.084 7.251 877 HD2 PHE 16 HD2 PHE 16 4.121 14.098 6.505 878 HE1 PHE 16 HE1 PHE 16 1.792 18.273 5.178 879 HE2 PHE 16 HE2 PHE 16 4.734 15.234 4.387 880 HZ PHE 16 HZ PHE 16 3.572 17.327 3.728 881 H HIS 17 H HIS 17 -0.106 15.525 10.176 882 HA HIS 17 HA HIS 17 -0.587 18.314 9.796 883 HB2 HIS 17 HB1 HIS 17 -2.273 16.449 9.659 884 HB3 HIS 17 HB2 HIS 17 -2.236 16.366 11.431 885 HD1 HIS 17 HD1 HIS 17 -3.739 18.172 12.681 886 HD2 HIS 17 HD2 HIS 17 -3.084 18.906 8.601 887 HE1 HIS 17 HE1 HIS 17 -5.168 20.197 12.067 888 HE2 HIS 17 HE2 HIS 17 -4.812 20.648 9.569 889 H LYS 18 H LYS 18 0.576 16.518 12.642 890 HA LYS 18 HA LYS 18 0.187 18.666 14.484 891 HB2 LYS 18 HB1 LYS 18 0.877 16.078 14.761 892 HB3 LYS 18 HB2 LYS 18 2.486 16.824 14.905 893 HG2 LYS 18 HG1 LYS 18 1.252 18.482 16.544 894 HG3 LYS 18 HG2 LYS 18 0.047 17.177 16.648 895 HD2 LYS 18 HD1 LYS 18 1.341 16.477 18.372 896 HD3 LYS 18 HD2 LYS 18 2.327 15.760 17.075 897 HE2 LYS 18 HE1 LYS 18 2.794 18.523 18.265 898 HE3 LYS 18 HE2 LYS 18 3.656 17.054 18.769 899 HZ1 LYS 18 HZ1 LYS 18 4.900 18.310 17.170 900 HZ2 LYS 18 HZ2 LYS 18 4.478 16.847 16.539 901 HZ3 LYS 18 HZ3 LYS 18 3.677 18.210 16.070 902 H TYR 19 H TYR 19 2.020 18.804 11.750 903 HA TYR 19 HA TYR 19 3.383 21.211 12.796 904 HB2 TYR 19 HB1 TYR 19 4.488 19.184 10.829 905 HB3 TYR 19 HB2 TYR 19 5.185 20.793 11.088 906 HD1 TYR 19 HD2 TYR 19 4.568 17.468 12.612 907 HD2 TYR 19 HD1 TYR 19 6.448 21.311 13.104 908 HE1 TYR 19 HE2 TYR 19 5.683 16.653 14.675 909 HE2 TYR 19 HE1 TYR 19 7.572 20.504 15.170 910 HH TYR 19 HH TYR 19 6.954 17.216 16.481 911 H SER 20 H SER 20 2.125 19.656 9.694 912 HA SER 20 HA SER 20 2.064 22.135 8.294 913 HB2 SER 20 HB1 SER 20 0.695 21.035 6.644 914 HB3 SER 20 HB2 SER 20 1.961 19.916 7.201 915 HG SER 20 HG SER 20 -0.100 18.913 7.029 916 H GLY 21 H GLY 21 -0.309 20.672 10.468 917 HA2 GLY 21 HA2 GLY 21 -1.729 22.821 9.881 918 H ARG 22 H ARG 22 0.453 23.286 11.360 919 HA ARG 22 HA ARG 22 -0.294 25.498 12.912 920 HB2 ARG 22 HB1 ARG 22 1.893 24.832 10.989 921 HB3 ARG 22 HB2 ARG 22 1.673 26.549 11.405 922 HG2 ARG 22 HG1 ARG 22 2.132 26.203 13.664 923 HG3 ARG 22 HG2 ARG 22 1.723 24.471 13.587 924 HD2 ARG 22 HD1 ARG 22 4.221 25.353 13.828 925 HD3 ARG 22 HD2 ARG 22 3.807 23.861 12.958 926 HE ARG 22 HE ARG 22 4.891 24.764 11.244 927 HH11 ARG 22 HH12 ARG 22 3.522 27.670 12.752 928 HH12 ARG 22 HH11 ARG 22 3.951 28.657 11.384 929 HH21 ARG 22 HH22 ARG 22 5.210 26.042 9.511 930 HH22 ARG 22 HH21 ARG 22 4.880 27.756 9.602 931 H GLU 23 H GLU 23 -0.615 24.979 9.406 932 HA GLU 23 HA GLU 23 -1.710 27.684 9.011 933 HB2 GLU 23 HB1 GLU 23 0.890 26.676 7.840 934 HB3 GLU 23 HB2 GLU 23 -0.034 28.002 7.095 935 HG2 GLU 23 HG1 GLU 23 0.232 29.391 9.037 936 HG3 GLU 23 HG2 GLU 23 0.889 28.043 9.989 937 H GLY 24 H GLY 24 -0.847 26.681 5.922 938 HA2 GLY 24 HA2 GLY 24 -3.356 25.869 5.890 939 H SER 25 H SER 25 -1.256 25.450 3.332 940 HA SER 25 HA SER 25 -2.897 23.405 2.168 941 HB2 SER 25 HB1 SER 25 -0.486 22.876 1.148 942 HB3 SER 25 HB2 SER 25 -1.421 24.304 0.640 943 HG SER 25 HG SER 25 0.763 24.808 1.158 944 H LYS 26 H LYS 26 -3.467 22.021 4.015 945 HA LYS 26 HA LYS 26 -1.475 21.207 5.885 946 HB2 LYS 26 HB1 LYS 26 -4.341 20.421 5.351 947 HB3 LYS 26 HB2 LYS 26 -3.395 19.687 6.667 948 HG2 LYS 26 HG1 LYS 26 -3.198 21.735 7.827 949 HG3 LYS 26 HG2 LYS 26 -3.645 22.692 6.395 950 HD2 LYS 26 HD1 LYS 26 -5.509 20.834 7.918 951 HD3 LYS 26 HD2 LYS 26 -5.443 22.602 8.111 952 HE2 LYS 26 HE1 LYS 26 -6.161 21.160 5.535 953 HE3 LYS 26 HE2 LYS 26 -7.336 21.822 6.692 954 HZ1 LYS 26 HZ1 LYS 26 -6.949 23.314 4.869 955 HZ2 LYS 26 HZ2 LYS 26 -6.428 23.992 6.276 956 HZ3 LYS 26 HZ3 LYS 26 -5.338 23.378 5.202 957 H LEU 27 H LEU 27 -2.106 19.867 2.814 958 HA LEU 27 HA LEU 27 -1.156 17.190 3.295 959 HB2 LEU 27 HB1 LEU 27 -1.101 17.026 0.851 960 HB3 LEU 27 HB2 LEU 27 -2.644 17.688 1.445 961 HG LEU 27 HG LEU 27 -0.508 19.585 0.501 962 HD11 LEU 27 HD11 LEU 27 -1.373 19.392 -1.822 963 HD12 LEU 27 HD12 LEU 27 -0.661 17.856 -1.274 964 HD13 LEU 27 HD13 LEU 27 -2.429 18.054 -1.314 965 HD21 LEU 27 HD21 LEU 27 -2.479 20.913 -0.223 966 HD22 LEU 27 HD22 LEU 27 -3.552 19.592 0.290 967 HD23 LEU 27 HD23 LEU 27 -2.593 20.482 1.498 968 H THR 28 H THR 28 0.519 20.147 3.166 969 HA THR 28 HA THR 28 3.101 18.856 2.454 970 HB THR 28 HB THR 28 3.543 21.270 1.450 971 HG1 THR 28 HG1 THR 28 1.626 21.987 0.392 972 HG21 THR 28 HG21 THR 28 2.851 20.479 -0.805 973 HG22 THR 28 HG22 THR 28 3.641 19.180 0.114 974 HG23 THR 28 HG23 THR 28 1.869 19.209 -0.047 975 H LEU 29 H LEU 29 5.013 20.143 3.276 976 HA LEU 29 HA LEU 29 4.626 22.449 4.934 977 HB2 LEU 29 HB1 LEU 29 5.168 21.789 7.058 978 HB3 LEU 29 HB2 LEU 29 4.092 20.485 6.502 979 HG LEU 29 HG LEU 29 7.121 20.323 6.620 980 HD11 LEU 29 HD11 LEU 29 6.729 18.864 8.589 981 HD12 LEU 29 HD12 LEU 29 6.075 20.496 8.858 982 HD13 LEU 29 HD13 LEU 29 4.978 19.153 8.453 983 HD21 LEU 29 HD21 LEU 29 6.800 17.889 6.307 984 HD22 LEU 29 HD22 LEU 29 5.049 18.146 6.148 985 HD23 LEU 29 HD23 LEU 29 6.162 18.809 4.927 986 H SER 30 H SER 30 6.885 23.184 5.976 987 HA SER 30 HA SER 30 8.629 23.146 3.646 988 HB2 SER 30 HB1 SER 30 9.885 24.915 4.732 989 HB3 SER 30 HB2 SER 30 8.139 25.259 4.775 990 HG SER 30 HG SER 30 9.179 25.678 6.780 991 H ARG 31 H ARG 31 10.899 22.738 3.609 992 HA ARG 31 HA ARG 31 11.335 20.099 4.561 993 HB2 ARG 31 HB1 ARG 31 13.625 21.711 3.493 994 HB3 ARG 31 HB2 ARG 31 13.171 20.016 3.184 995 HG2 ARG 31 HG1 ARG 31 11.056 21.235 2.044 996 HG3 ARG 31 HG2 ARG 31 12.263 22.527 1.845 997 HD2 ARG 31 HD1 ARG 31 13.466 21.356 0.298 998 HD3 ARG 31 HD2 ARG 31 13.068 19.780 1.013 999 HE ARG 31 HE ARG 31 10.952 21.314 -0.411 1000 HH11 ARG 31 HH12 ARG 31 13.207 18.576 -0.640 1001 HH12 ARG 31 HH11 ARG 31 12.187 17.698 -1.740 1002 HH21 ARG 31 HH22 ARG 31 9.614 19.966 -1.704 1003 HH22 ARG 31 HH21 ARG 31 10.232 18.456 -2.316 1004 H LYS 32 H LYS 32 12.601 23.214 5.702 1005 HA LYS 32 HA LYS 32 14.470 22.186 7.579 1006 HB2 LYS 32 HB1 LYS 32 13.995 24.586 6.537 1007 HB3 LYS 32 HB2 LYS 32 13.065 24.790 8.043 1008 HG2 LYS 32 HG1 LYS 32 14.987 24.185 9.389 1009 HG3 LYS 32 HG2 LYS 32 15.917 23.734 7.941 1010 HD2 LYS 32 HD1 LYS 32 14.997 26.507 8.720 1011 HD3 LYS 32 HD2 LYS 32 16.659 25.871 8.802 1012 HE2 LYS 32 HE1 LYS 32 15.032 26.425 6.296 1013 HE3 LYS 32 HE2 LYS 32 16.442 27.335 6.884 1014 HZ1 LYS 32 HZ1 LYS 32 17.026 25.832 5.124 1015 HZ2 LYS 32 HZ2 LYS 32 17.772 25.384 6.524 1016 HZ3 LYS 32 HZ3 LYS 32 16.465 24.539 5.979 1017 H GLU 33 H GLU 33 10.965 22.763 7.895 1018 HA GLU 33 HA GLU 33 10.941 22.134 10.736 1019 HB2 GLU 33 HB1 GLU 33 9.378 23.773 9.857 1020 HB3 GLU 33 HB2 GLU 33 8.684 22.562 8.752 1021 HG2 GLU 33 HG1 GLU 33 7.553 21.463 10.439 1022 HG3 GLU 33 HG2 GLU 33 8.724 21.942 11.687 1023 H LEU 34 H LEU 34 10.167 20.276 7.695 1024 HA LEU 34 HA LEU 34 9.253 17.947 9.031 1025 HB2 LEU 34 HB1 LEU 34 9.041 18.116 6.639 1026 HB3 LEU 34 HB2 LEU 34 10.808 18.222 6.440 1027 HG LEU 34 HG LEU 34 11.078 15.931 7.245 1028 HD11 LEU 34 HD11 LEU 34 9.153 14.435 7.686 1029 HD12 LEU 34 HD12 LEU 34 9.192 15.793 8.829 1030 HD13 LEU 34 HD13 LEU 34 8.046 15.806 7.468 1031 HD21 LEU 34 HD21 LEU 34 9.971 14.716 5.395 1032 HD22 LEU 34 HD22 LEU 34 8.886 16.102 5.142 1033 HD23 LEU 34 HD23 LEU 34 10.633 16.271 4.843 1034 H LYS 35 H LYS 35 12.576 18.975 8.246 1035 HA LYS 35 HA LYS 35 14.057 16.827 9.260 1036 HB2 LYS 35 HB1 LYS 35 14.902 18.686 7.921 1037 HB3 LYS 35 HB2 LYS 35 14.571 19.821 9.253 1038 HG2 LYS 35 HG1 LYS 35 16.276 17.695 10.176 1039 HG3 LYS 35 HG2 LYS 35 16.952 18.415 8.695 1040 HD2 LYS 35 HD1 LYS 35 17.934 19.585 10.499 1041 HD3 LYS 35 HD2 LYS 35 16.702 20.675 9.820 1042 HE2 LYS 35 HE1 LYS 35 15.746 18.964 12.030 1043 HE3 LYS 35 HE2 LYS 35 17.027 20.109 12.483 1044 HZ1 LYS 35 HZ1 LYS 35 14.849 21.044 12.792 1045 HZ2 LYS 35 HZ2 LYS 35 15.665 21.874 11.628 1046 HZ3 LYS 35 HZ3 LYS 35 14.476 20.811 11.204 1047 H GLU 36 H GLU 36 12.442 19.468 11.015 1048 HA GLU 36 HA GLU 36 13.440 18.717 13.611 1049 HB2 GLU 36 HB1 GLU 36 12.450 20.980 12.789 1050 HB3 GLU 36 HB2 GLU 36 10.865 20.222 13.078 1051 HG2 GLU 36 HG1 GLU 36 11.531 21.444 15.065 1052 HG3 GLU 36 HG2 GLU 36 11.581 19.701 15.405 1053 H LEU 37 H LEU 37 10.197 18.323 12.098 1054 HA LEU 37 HA LEU 37 8.799 16.859 13.926 1055 HB2 LEU 37 HB1 LEU 37 7.582 17.513 12.153 1056 HB3 LEU 37 HB2 LEU 37 8.885 17.171 10.989 1057 HG LEU 37 HG LEU 37 8.227 14.883 10.829 1058 HD11 LEU 37 HD11 LEU 37 6.170 13.939 11.828 1059 HD12 LEU 37 HD12 LEU 37 7.359 14.376 13.068 1060 HD13 LEU 37 HD13 LEU 37 5.956 15.430 12.765 1061 HD21 LEU 37 HD21 LEU 37 5.999 15.229 9.769 1062 HD22 LEU 37 HD22 LEU 37 5.820 16.756 10.662 1063 HD23 LEU 37 HD23 LEU 37 7.092 16.589 9.429 1064 H ILE 38 H ILE 38 11.029 15.393 11.491 1065 HA ILE 38 HA ILE 38 10.567 12.718 12.311 1066 HB ILE 38 HB ILE 38 12.903 14.014 10.883 1067 HG12 ILE 38 HG13 ILE 38 10.598 12.277 9.904 1068 HG13 ILE 38 HG12 ILE 38 10.632 14.055 9.819 1069 HG21 ILE 38 HG21 ILE 38 13.592 11.732 10.204 1070 HG22 ILE 38 HG22 ILE 38 13.692 11.938 11.967 1071 HG23 ILE 38 HG23 ILE 38 12.333 11.040 11.252 1072 HD11 ILE 38 HD11 ILE 38 11.222 13.047 7.639 1073 HD12 ILE 38 HD12 ILE 38 12.591 13.946 8.327 1074 HD13 ILE 38 HD13 ILE 38 12.558 12.169 8.413 1075 H LYS 39 H LYS 39 13.075 15.038 13.494 1076 HA LYS 39 HA LYS 39 14.000 13.145 15.496 1077 HB2 LYS 39 HB1 LYS 39 15.051 15.231 14.020 1078 HB3 LYS 39 HB2 LYS 39 14.828 15.984 15.617 1079 HG2 LYS 39 HG1 LYS 39 16.994 15.017 15.642 1080 HG3 LYS 39 HG2 LYS 39 15.951 13.945 16.608 1081 HD2 LYS 39 HD1 LYS 39 15.703 12.629 14.331 1082 HD3 LYS 39 HD2 LYS 39 17.215 13.471 13.915 1083 HE2 LYS 39 HE1 LYS 39 16.834 11.840 16.452 1084 HE3 LYS 39 HE2 LYS 39 17.503 11.174 14.947 1085 HZ1 LYS 39 HZ1 LYS 39 19.220 11.835 16.465 1086 HZ2 LYS 39 HZ2 LYS 39 19.275 12.762 15.105 1087 HZ3 LYS 39 HZ3 LYS 39 18.655 13.381 16.503 1088 H LYS 40 H LYS 40 11.202 14.925 15.478 1089 HA LYS 40 HA LYS 40 11.163 15.350 18.417 1090 HB2 LYS 40 HB1 LYS 40 9.334 16.147 16.122 1091 HB3 LYS 40 HB2 LYS 40 8.911 16.386 17.835 1092 HG2 LYS 40 HG1 LYS 40 11.315 17.608 16.428 1093 HG3 LYS 40 HG2 LYS 40 9.786 18.448 16.782 1094 HD2 LYS 40 HD1 LYS 40 10.862 19.096 18.661 1095 HD3 LYS 40 HD2 LYS 40 10.409 17.477 19.246 1096 HE2 LYS 40 HE1 LYS 40 12.615 17.226 19.666 1097 HE3 LYS 40 HE2 LYS 40 12.758 16.949 17.915 1098 HZ1 LYS 40 HZ1 LYS 40 14.328 18.574 18.691 1099 HZ2 LYS 40 HZ2 LYS 40 13.254 19.272 17.654 1100 HZ3 LYS 40 HZ3 LYS 40 13.121 19.529 19.278 1101 H GLU 41 H GLU 41 9.094 13.985 15.869 1102 HA GLU 41 HA GLU 41 7.602 12.273 17.671 1103 HB2 GLU 41 HB1 GLU 41 7.574 12.355 14.638 1104 HB3 GLU 41 HB2 GLU 41 6.327 11.676 15.712 1105 HG2 GLU 41 HG1 GLU 41 7.054 14.603 15.417 1106 HG3 GLU 41 HG2 GLU 41 5.614 13.799 14.755 1107 H LEU 42 H LEU 42 10.640 11.826 16.292 1108 HA LEU 42 HA LEU 42 10.568 8.973 16.904 1109 HB2 LEU 42 HB1 LEU 42 10.088 9.521 14.365 1110 HB3 LEU 42 HB2 LEU 42 11.853 9.737 14.303 1111 HG LEU 42 HG LEU 42 10.963 7.282 15.677 1112 HD11 LEU 42 HD11 LEU 42 10.395 6.068 13.584 1113 HD12 LEU 42 HD12 LEU 42 9.246 7.389 13.897 1114 HD13 LEU 42 HD13 LEU 42 10.523 7.590 12.674 1115 HD21 LEU 42 HD21 LEU 42 12.758 6.257 14.306 1116 HD22 LEU 42 HD22 LEU 42 12.925 7.776 13.398 1117 HD23 LEU 42 HD23 LEU 42 13.331 7.722 15.130 1118 H CYS 43 H CYS 43 12.608 8.094 17.403 1119 HA CYS 43 HA CYS 43 14.835 10.014 17.775 1120 HB2 CYS 43 HB1 CYS 43 15.230 9.111 20.027 1121 HB3 CYS 43 HB2 CYS 43 13.605 9.830 19.897 1122 HG CYS 43 HG CYS 43 13.513 7.697 21.415 1123 H LEU 44 H LEU 44 16.906 9.089 18.009 1124 HA LEU 44 HA LEU 44 17.234 6.196 17.497 1125 HB2 LEU 44 HB1 LEU 44 18.528 8.405 15.884 1126 HB3 LEU 44 HB2 LEU 44 19.160 6.742 15.962 1127 HG LEU 44 HG LEU 44 16.608 6.235 15.207 1128 HD11 LEU 44 HD11 LEU 44 15.953 7.851 13.430 1129 HD12 LEU 44 HD12 LEU 44 16.001 8.635 15.023 1130 HD13 LEU 44 HD13 LEU 44 17.333 8.883 13.869 1131 HD21 LEU 44 HD21 LEU 44 17.489 6.005 12.891 1132 HD22 LEU 44 HD22 LEU 44 18.884 7.016 13.327 1133 HD23 LEU 44 HD23 LEU 44 18.668 5.422 14.086 1134 H GLY 45 H GLY 45 19.811 8.657 17.525 1135 HA2 GLY 45 HA2 GLY 45 21.266 8.806 18.623 1136 H GLU 46 H GLU 46 20.950 6.368 18.383 1137 HA GLU 46 HA GLU 46 23.256 5.269 19.624 1138 HB2 GLU 46 HB1 GLU 46 22.389 3.916 21.294 1139 HB3 GLU 46 HB2 GLU 46 21.651 5.513 21.564 1140 HG2 GLU 46 HG1 GLU 46 19.840 4.219 21.953 1141 HG3 GLU 46 HG2 GLU 46 19.659 4.404 20.193 1142 H MET 47 H MET 47 19.952 4.434 18.412 1143 HA MET 47 HA MET 47 20.778 2.560 16.477 1144 HB2 MET 47 HB1 MET 47 18.470 4.521 16.483 1145 HB3 MET 47 HB2 MET 47 18.683 3.211 15.297 1146 HG2 MET 47 HG1 MET 47 18.782 1.698 17.445 1147 HG3 MET 47 HG2 MET 47 17.951 3.066 18.204 1148 HE1 MET 47 HE1 MET 47 14.856 3.283 15.536 1149 HE2 MET 47 HE2 MET 47 15.736 4.203 16.777 1150 HE3 MET 47 HE3 MET 47 16.494 3.888 15.199 1151 H LYS 48 H LYS 48 20.227 3.148 14.161 1152 HA LYS 48 HA LYS 48 22.746 3.980 13.245 1153 HB2 LYS 48 HB1 LYS 48 20.342 2.546 12.273 1154 HB3 LYS 48 HB2 LYS 48 21.449 3.179 11.031 1155 HG2 LYS 48 HG1 LYS 48 23.338 2.069 11.989 1156 HG3 LYS 48 HG2 LYS 48 22.484 1.768 13.520 1157 HD2 LYS 48 HD1 LYS 48 21.529 0.514 10.964 1158 HD3 LYS 48 HD2 LYS 48 22.887 -0.192 11.872 1159 HE2 LYS 48 HE1 LYS 48 21.466 -0.367 13.882 1160 HE3 LYS 48 HE2 LYS 48 20.111 0.375 13.003 1161 HZ1 LYS 48 HZ1 LYS 48 19.929 -2.005 13.072 1162 HZ2 LYS 48 HZ2 LYS 48 20.132 -1.498 11.517 1163 HZ3 LYS 48 HZ3 LYS 48 21.390 -2.188 12.332 1164 H GLU 49 H GLU 49 21.710 6.429 14.124 1165 HA GLU 49 HA GLU 49 21.523 8.169 11.884 1166 HB2 GLU 49 HB1 GLU 49 22.993 8.630 14.504 1167 HB3 GLU 49 HB2 GLU 49 22.542 9.876 13.317 1168 HG2 GLU 49 HG1 GLU 49 20.130 8.952 13.600 1169 HG3 GLU 49 HG2 GLU 49 20.757 8.193 15.080 1170 H SER 50 H SER 50 22.950 8.834 10.457 1171 HA SER 50 HA SER 50 25.575 8.653 9.930 1172 HB2 SER 50 HB1 SER 50 24.376 5.901 9.717 1173 HB3 SER 50 HB2 SER 50 25.693 6.424 8.639 1174 HG SER 50 HG SER 50 26.453 5.379 10.530 1175 H SER 51 H SER 51 23.976 6.708 7.486 1176 HA SER 51 HA SER 51 24.073 8.866 5.665 1177 HB2 SER 51 HB1 SER 51 22.422 6.349 5.311 1178 HB3 SER 51 HB2 SER 51 23.225 7.326 4.059 1179 HG SER 51 HG SER 51 24.402 5.417 4.589 1180 H ILE 52 H ILE 52 21.522 8.290 7.921 1181 HA ILE 52 HA ILE 52 19.447 9.722 6.686 1182 HB ILE 52 HB ILE 52 18.468 9.337 8.531 1183 HG12 ILE 52 HG13 ILE 52 19.026 11.682 9.210 1184 HG13 ILE 52 HG12 ILE 52 18.485 10.558 10.480 1185 HG21 ILE 52 HG21 ILE 52 19.435 8.182 10.483 1186 HG22 ILE 52 HG22 ILE 52 20.029 7.529 8.948 1187 HG23 ILE 52 HG23 ILE 52 21.055 8.616 9.913 1188 HD11 ILE 52 HD11 ILE 52 20.292 12.036 11.309 1189 HD12 ILE 52 HD12 ILE 52 20.803 10.338 11.275 1190 HD13 ILE 52 HD13 ILE 52 21.345 11.460 10.004 1191 H ASP 53 H ASP 53 22.502 10.931 7.962 1192 HA ASP 53 HA ASP 53 22.197 13.685 7.885 1193 HB2 ASP 53 HB1 ASP 53 24.267 12.840 8.592 1194 HB3 ASP 53 HB2 ASP 53 24.413 11.752 7.195 1195 H ASP 54 H ASP 54 22.986 11.547 5.029 1196 HA ASP 54 HA ASP 54 22.980 13.875 3.332 1197 HB2 ASP 54 HB1 ASP 54 24.348 11.750 2.939 1198 HB3 ASP 54 HB2 ASP 54 22.860 11.072 2.243 1199 H LEU 55 H LEU 55 20.477 11.387 4.056 1200 HA LEU 55 HA LEU 55 18.641 12.402 2.129 1201 HB2 LEU 55 HB1 LEU 55 18.020 11.211 4.835 1202 HB3 LEU 55 HB2 LEU 55 16.884 11.418 3.481 1203 HG LEU 55 HG LEU 55 19.217 9.503 3.702 1204 HD11 LEU 55 HD11 LEU 55 17.407 7.846 3.299 1205 HD12 LEU 55 HD12 LEU 55 17.039 8.865 4.712 1206 HD13 LEU 55 HD13 LEU 55 16.228 9.173 3.158 1207 HD21 LEU 55 HD21 LEU 55 18.730 8.745 1.390 1208 HD22 LEU 55 HD22 LEU 55 17.551 10.062 1.213 1209 HD23 LEU 55 HD23 LEU 55 19.281 10.434 1.414 1210 H MET 56 H MET 56 19.106 13.376 5.590 1211 HA MET 56 HA MET 56 17.177 15.424 5.659 1212 HB2 MET 56 HB1 MET 56 19.750 14.973 7.193 1213 HB3 MET 56 HB2 MET 56 18.675 16.351 7.530 1214 HG2 MET 56 HG1 MET 56 17.796 13.452 7.588 1215 HG3 MET 56 HG2 MET 56 18.347 14.347 9.013 1216 HE1 MET 56 HE1 MET 56 15.034 14.886 10.374 1217 HE2 MET 56 HE2 MET 56 16.127 13.501 10.105 1218 HE3 MET 56 HE3 MET 56 16.793 15.074 10.611 1219 H LYS 57 H LYS 57 20.751 15.826 5.114 1220 HA LYS 57 HA LYS 57 20.263 18.552 4.338 1221 HB2 LYS 57 HB1 LYS 57 22.194 18.899 5.143 1222 HB3 LYS 57 HB2 LYS 57 22.474 17.149 5.310 1223 HG2 LYS 57 HG1 LYS 57 23.113 18.671 2.776 1224 HG3 LYS 57 HG2 LYS 57 24.271 18.473 4.112 1225 HD2 LYS 57 HD1 LYS 57 22.850 16.105 2.868 1226 HD3 LYS 57 HD2 LYS 57 24.368 16.746 2.196 1227 HE2 LYS 57 HE1 LYS 57 25.240 16.590 4.661 1228 HE3 LYS 57 HE2 LYS 57 23.862 15.495 4.909 1229 HZ1 LYS 57 HZ1 LYS 57 25.854 14.307 4.363 1230 HZ2 LYS 57 HZ2 LYS 57 24.732 14.110 3.174 1231 HZ3 LYS 57 HZ3 LYS 57 26.011 15.126 2.944 1232 H SER 58 H SER 58 20.057 15.670 2.441 1233 HA SER 58 HA SER 58 20.122 17.198 -0.009 1234 HB2 SER 58 HB1 SER 58 20.409 14.754 -0.016 1235 HB3 SER 58 HB2 SER 58 18.716 14.565 0.502 1236 HG SER 58 HG SER 58 18.972 14.390 -1.781 1237 H LEU 59 H LEU 59 17.499 16.620 2.418 1238 HA LEU 59 HA LEU 59 15.505 17.896 0.754 1239 HB2 LEU 59 HB1 LEU 59 15.695 17.538 3.760 1240 HB3 LEU 59 HB2 LEU 59 14.274 18.190 2.909 1241 HG LEU 59 HG LEU 59 15.369 15.372 2.731 1242 HD11 LEU 59 HD11 LEU 59 13.241 14.827 3.873 1243 HD12 LEU 59 HD12 LEU 59 14.217 15.963 4.836 1244 HD13 LEU 59 HD13 LEU 59 12.816 16.555 3.913 1245 HD21 LEU 59 HD21 LEU 59 13.409 14.857 1.325 1246 HD22 LEU 59 HD22 LEU 59 12.961 16.579 1.319 1247 HD23 LEU 59 HD23 LEU 59 14.473 16.049 0.544 1248 H ASP 60 H ASP 60 17.513 19.059 3.488 1249 HA ASP 60 HA ASP 60 16.447 21.721 3.416 1250 HB2 ASP 60 HB1 ASP 60 17.482 20.282 5.365 1251 HB3 ASP 60 HB2 ASP 60 18.992 21.060 4.847 1252 H LYS 61 H LYS 61 19.125 20.264 1.655 1253 HA LYS 61 HA LYS 61 20.435 22.328 0.452 1254 HB2 LYS 61 HB1 LYS 61 20.260 19.891 -0.137 1255 HB3 LYS 61 HB2 LYS 61 18.728 20.264 -0.963 1256 HG2 LYS 61 HG1 LYS 61 19.806 21.432 -2.697 1257 HG3 LYS 61 HG2 LYS 61 21.295 21.658 -1.749 1258 HD2 LYS 61 HD1 LYS 61 21.452 19.848 -3.538 1259 HD3 LYS 61 HD2 LYS 61 21.825 19.286 -1.890 1260 HE2 LYS 61 HE1 LYS 61 19.412 18.591 -1.665 1261 HE3 LYS 61 HE2 LYS 61 19.191 18.990 -3.383 1262 HZ1 LYS 61 HZ1 LYS 61 19.554 16.654 -3.053 1263 HZ2 LYS 61 HZ2 LYS 61 20.796 17.308 -3.915 1264 HZ3 LYS 61 HZ3 LYS 61 21.001 16.938 -2.321 1265 H ASN 62 H ASN 62 16.994 21.712 0.208 1266 HA ASN 62 HA ASN 62 16.501 24.028 -1.589 1267 HB2 ASN 62 HB1 ASN 62 15.209 21.337 -1.059 1268 HB3 ASN 62 HB2 ASN 62 14.296 22.643 -1.846 1269 HD21 ASN 62 HD21 ASN 62 14.957 23.414 -3.881 1270 HD22 ASN 62 HD22 ASN 62 16.068 22.524 -4.900 1271 H SER 63 H SER 63 15.524 22.527 1.489 1272 HA SER 63 HA SER 63 15.416 23.553 3.485 1273 HB2 SER 63 HB1 SER 63 15.945 25.964 1.792 1274 HB3 SER 63 HB2 SER 63 15.373 26.205 3.461 1275 HG SER 63 HG SER 63 17.661 26.218 3.294 1276 H ASP 64 H ASP 64 13.423 25.703 1.313 1277 HA ASP 64 HA ASP 64 11.570 25.963 3.638 1278 HB2 ASP 64 HB1 ASP 64 13.148 28.057 2.161 1279 HB3 ASP 64 HB2 ASP 64 11.565 28.478 2.851 1280 H GLN 65 H GLN 65 11.862 25.074 0.478 1281 HA GLN 65 HA GLN 65 9.194 25.856 -0.371 1282 HB2 GLN 65 HB1 GLN 65 9.924 23.467 -1.669 1283 HB3 GLN 65 HB2 GLN 65 9.991 25.124 -2.313 1284 HG2 GLN 65 HG1 GLN 65 12.321 25.320 -1.686 1285 HG3 GLN 65 HG2 GLN 65 12.277 23.728 -0.898 1286 HE21 GLN 65 HE12 GLN 65 11.019 22.095 -2.751 1287 HE22 GLN 65 HE22 GLN 65 11.966 22.045 -4.220 1288 H GLU 66 H GLU 66 7.471 24.204 -0.725 1289 HA GLU 66 HA GLU 66 7.005 22.590 1.576 1290 HB2 GLU 66 HB1 GLU 66 5.665 22.887 -1.108 1291 HB3 GLU 66 HB2 GLU 66 5.122 21.660 0.062 1292 HG2 GLU 66 HG1 GLU 66 4.665 23.384 1.730 1293 HG3 GLU 66 HG2 GLU 66 5.352 24.639 0.676 1294 H ILE 67 H ILE 67 7.149 20.507 1.975 1295 HA ILE 67 HA ILE 67 7.921 18.458 -0.050 1296 HB ILE 67 HB ILE 67 8.250 18.733 2.948 1297 HG12 ILE 67 HG13 ILE 67 10.007 17.697 0.699 1298 HG13 ILE 67 HG12 ILE 67 10.019 19.356 1.344 1299 HG21 ILE 67 HG21 ILE 67 8.740 16.329 3.202 1300 HG22 ILE 67 HG22 ILE 67 7.046 16.604 2.737 1301 HG23 ILE 67 HG23 ILE 67 8.226 16.048 1.524 1302 HD11 ILE 67 HD11 ILE 67 11.914 18.042 2.230 1303 HD12 ILE 67 HD12 ILE 67 10.784 18.506 3.519 1304 HD13 ILE 67 HD13 ILE 67 10.772 16.846 2.875 1305 H ASP 68 H ASP 68 6.364 16.910 -0.485 1306 HA ASP 68 HA ASP 68 3.721 17.205 0.806 1307 HB2 ASP 68 HB1 ASP 68 2.803 16.485 -1.173 1308 HB3 ASP 68 HB2 ASP 68 4.301 17.214 -1.788 1309 H PHE 69 H PHE 69 2.448 15.031 0.780 1310 HA PHE 69 HA PHE 69 3.528 13.379 2.794 1311 HB2 PHE 69 HB1 PHE 69 1.109 13.922 2.170 1312 HB3 PHE 69 HB2 PHE 69 1.252 12.645 0.951 1313 HD1 PHE 69 HD1 PHE 69 2.264 12.983 4.575 1314 HD2 PHE 69 HD2 PHE 69 0.079 10.744 1.620 1315 HE1 PHE 69 HE1 PHE 69 1.743 11.253 6.275 1316 HE2 PHE 69 HE2 PHE 69 -0.413 8.996 3.311 1317 HZ PHE 69 HZ PHE 69 0.464 9.218 5.626 1318 H LYS 70 H LYS 70 3.818 13.006 -0.738 1319 HA LYS 70 HA LYS 70 4.745 10.275 -0.677 1320 HB2 LYS 70 HB1 LYS 70 3.754 11.387 -2.635 1321 HB3 LYS 70 HB2 LYS 70 5.158 12.478 -2.711 1322 HG2 LYS 70 HG1 LYS 70 5.484 9.486 -2.922 1323 HG3 LYS 70 HG2 LYS 70 5.051 10.477 -4.336 1324 HD2 LYS 70 HD1 LYS 70 7.136 11.918 -3.648 1325 HD3 LYS 70 HD2 LYS 70 7.610 10.475 -2.721 1326 HE2 LYS 70 HE1 LYS 70 7.454 9.096 -4.738 1327 HE3 LYS 70 HE2 LYS 70 6.892 10.497 -5.676 1328 HZ1 LYS 70 HZ1 LYS 70 9.231 10.097 -5.990 1329 HZ2 LYS 70 HZ2 LYS 70 9.001 11.551 -5.245 1330 HZ3 LYS 70 HZ3 LYS 70 9.522 10.251 -4.374 1331 H GLU 71 H GLU 71 6.492 13.366 -1.222 1332 HA GLU 71 HA GLU 71 9.132 12.503 -1.044 1333 HB2 GLU 71 HB1 GLU 71 7.709 15.040 -0.209 1334 HB3 GLU 71 HB2 GLU 71 9.473 14.868 -0.065 1335 HG2 GLU 71 HG1 GLU 71 8.447 14.170 -2.729 1336 HG3 GLU 71 HG2 GLU 71 8.114 15.851 -2.259 1337 H TYR 72 H TYR 72 6.810 13.199 1.563 1338 HA TYR 72 HA TYR 72 8.589 12.758 3.777 1339 HB2 TYR 72 HB1 TYR 72 6.650 14.101 4.031 1340 HB3 TYR 72 HB2 TYR 72 5.595 12.836 3.381 1341 HD1 TYR 72 HD1 TYR 72 7.652 13.823 6.308 1342 HD2 TYR 72 HD2 TYR 72 4.615 11.172 4.814 1343 HE1 TYR 72 HE1 TYR 72 7.023 13.255 8.647 1344 HE2 TYR 72 HE2 TYR 72 4.006 10.564 7.140 1345 HH TYR 72 HH TYR 72 4.331 10.938 9.351 1346 H SER 73 H SER 73 6.035 10.605 2.338 1347 HA SER 73 HA SER 73 6.567 8.486 4.170 1348 HB2 SER 73 HB1 SER 73 4.480 8.990 2.713 1349 HB3 SER 73 HB2 SER 73 5.334 8.058 1.460 1350 HG SER 73 HG SER 73 4.018 6.746 2.803 1351 H VAL 74 H VAL 74 7.935 9.147 0.882 1352 HA VAL 74 HA VAL 74 9.489 6.755 0.874 1353 HB VAL 74 HB VAL 74 10.974 7.718 -0.722 1354 HG11 VAL 74 HG11 VAL 74 9.379 8.079 -2.563 1355 HG12 VAL 74 HG12 VAL 74 8.862 6.769 -1.481 1356 HG13 VAL 74 HG13 VAL 74 8.092 8.370 -1.376 1357 HG21 VAL 74 HG21 VAL 74 10.755 9.952 -1.728 1358 HG22 VAL 74 HG22 VAL 74 9.528 10.359 -0.515 1359 HG23 VAL 74 HG23 VAL 74 11.205 10.027 -0.016 1360 H PHE 75 H PHE 75 10.166 10.033 2.289 1361 HA PHE 75 HA PHE 75 12.869 9.458 2.942 1362 HB2 PHE 75 HB1 PHE 75 11.596 11.677 2.975 1363 HB3 PHE 75 HB2 PHE 75 10.994 11.188 4.568 1364 HD1 PHE 75 HD2 PHE 75 12.713 10.737 6.439 1365 HD2 PHE 75 HD1 PHE 75 13.746 12.543 2.672 1366 HE1 PHE 75 HE2 PHE 75 14.745 11.731 7.475 1367 HE2 PHE 75 HE1 PHE 75 15.735 13.574 3.725 1368 HZ PHE 75 HZ PHE 75 16.234 13.194 6.119 1369 H LEU 76 H LEU 76 9.877 9.005 4.904 1370 HA LEU 76 HA LEU 76 11.091 7.776 7.156 1371 HB2 LEU 76 HB1 LEU 76 8.363 7.838 5.896 1372 HB3 LEU 76 HB2 LEU 76 8.679 6.695 7.224 1373 HG LEU 76 HG LEU 76 9.073 8.420 8.763 1374 HD11 LEU 76 HD11 LEU 76 9.034 10.848 8.323 1375 HD12 LEU 76 HD12 LEU 76 10.375 10.046 7.485 1376 HD13 LEU 76 HD13 LEU 76 8.914 10.518 6.584 1377 HD21 LEU 76 HD21 LEU 76 6.905 9.611 8.694 1378 HD22 LEU 76 HD22 LEU 76 6.742 9.206 6.969 1379 HD23 LEU 76 HD23 LEU 76 6.732 7.913 8.192 1380 H THR 77 H THR 77 9.654 6.292 4.178 1381 HA THR 77 HA THR 77 10.022 3.615 5.136 1382 HB THR 77 HB THR 77 9.576 4.513 2.273 1383 HG1 THR 77 HG1 THR 77 7.402 4.072 2.858 1384 HG21 THR 77 HG21 THR 77 8.641 2.224 2.026 1385 HG22 THR 77 HG22 THR 77 10.351 2.164 2.512 1386 HG23 THR 77 HG23 THR 77 9.073 1.867 3.715 1387 H MET 78 H MET 78 11.846 5.515 2.632 1388 HA MET 78 HA MET 78 13.763 3.589 2.016 1389 HB2 MET 78 HB1 MET 78 14.120 6.600 2.269 1390 HB3 MET 78 HB2 MET 78 15.317 5.501 1.542 1391 HG2 MET 78 HG1 MET 78 12.916 4.862 0.267 1392 HG3 MET 78 HG2 MET 78 12.871 6.627 0.417 1393 HE1 MET 78 HE1 MET 78 15.873 7.880 -1.570 1394 HE2 MET 78 HE2 MET 78 14.339 8.281 -0.761 1395 HE3 MET 78 HE3 MET 78 15.704 7.645 0.187 1396 H LEU 79 H LEU 79 13.820 5.991 4.706 1397 HA LEU 79 HA LEU 79 16.497 5.227 5.469 1398 HB2 LEU 79 HB1 LEU 79 15.339 7.497 5.579 1399 HB3 LEU 79 HB2 LEU 79 14.579 6.899 7.074 1400 HG LEU 79 HG LEU 79 16.669 8.386 7.216 1401 HD11 LEU 79 HD11 LEU 79 17.423 7.253 9.270 1402 HD12 LEU 79 HD12 LEU 79 15.652 7.252 9.129 1403 HD13 LEU 79 HD13 LEU 79 16.576 5.777 8.757 1404 HD21 LEU 79 HD21 LEU 79 18.855 7.228 7.228 1405 HD22 LEU 79 HD22 LEU 79 18.064 5.747 6.651 1406 HD23 LEU 79 HD23 LEU 79 18.104 7.196 5.620 1407 H CYS 80 H CYS 80 13.266 4.518 6.906 1408 HA CYS 80 HA CYS 80 14.330 2.925 9.038 1409 HB2 CYS 80 HB1 CYS 80 12.049 3.995 8.885 1410 HB3 CYS 80 HB2 CYS 80 11.598 2.720 7.726 1411 HG CYS 80 HG CYS 80 10.616 2.160 10.089 1412 H MET 81 H MET 81 13.322 2.032 5.674 1413 HA MET 81 HA MET 81 13.940 -0.739 5.943 1414 HB2 MET 81 HB1 MET 81 12.653 0.355 4.071 1415 HB3 MET 81 HB2 MET 81 14.205 0.952 3.438 1416 HG2 MET 81 HG1 MET 81 14.821 -1.664 3.748 1417 HG3 MET 81 HG2 MET 81 13.079 -1.811 3.464 1418 HE1 MET 81 HE1 MET 81 16.347 -0.394 0.597 1419 HE2 MET 81 HE2 MET 81 16.071 0.382 2.179 1420 HE3 MET 81 HE3 MET 81 16.545 -1.332 2.101 1421 H ALA 82 H ALA 82 16.021 2.089 5.222 1422 HA ALA 82 HA ALA 82 18.254 0.537 4.360 1423 HB1 ALA 82 HB1 ALA 82 19.445 2.699 4.407 1424 HB2 ALA 82 HB2 ALA 82 17.846 2.850 3.643 1425 HB3 ALA 82 HB3 ALA 82 18.093 3.421 5.311 1426 H TYR 83 H TYR 83 17.124 1.019 7.598 1427 HA TYR 83 HA TYR 83 19.742 -0.060 8.447 1428 HB2 TYR 83 HB1 TYR 83 19.578 1.003 10.582 1429 HB3 TYR 83 HB2 TYR 83 19.532 2.185 9.263 1430 HD1 TYR 83 HD1 TYR 83 17.087 0.297 11.459 1431 HD2 TYR 83 HD2 TYR 83 18.207 3.994 9.562 1432 HE1 TYR 83 HE1 TYR 83 15.237 1.457 12.642 1433 HE2 TYR 83 HE2 TYR 83 16.413 5.169 10.797 1434 HH TYR 83 HH TYR 83 14.638 4.981 12.220 1435 H ASN 84 H ASN 84 16.471 -0.965 8.195 1436 HA ASN 84 HA ASN 84 16.643 -2.777 10.470 1437 HB2 ASN 84 HB1 ASN 84 14.525 -2.153 8.485 1438 HB3 ASN 84 HB2 ASN 84 14.477 -3.727 9.308 1439 HD21 ASN 84 HD21 ASN 84 13.965 -0.299 9.660 1440 HD22 ASN 84 HD22 ASN 84 13.550 -0.310 11.367 1441 H ASP 85 H ASP 85 18.867 -3.203 9.170 1442 HA ASP 85 HA ASP 85 19.124 -5.677 7.913 1443 HB2 ASP 85 HB1 ASP 85 21.172 -5.869 9.426 1444 HB3 ASP 85 HB2 ASP 85 21.055 -4.421 8.403 1445 H PHE 86 H PHE 86 17.616 -5.045 10.975 1446 HA PHE 86 HA PHE 86 17.568 -7.559 12.198 1447 HB2 PHE 86 HB1 PHE 86 16.715 -5.237 12.893 1448 HB3 PHE 86 HB2 PHE 86 15.250 -5.624 11.974 1449 HD1 PHE 86 HD1 PHE 86 17.386 -6.771 14.818 1450 HD2 PHE 86 HD2 PHE 86 13.507 -6.914 12.950 1451 HE1 PHE 86 HE1 PHE 86 16.464 -7.906 16.825 1452 HE2 PHE 86 HE2 PHE 86 12.589 -8.065 14.954 1453 HZ PHE 86 HZ PHE 86 14.064 -8.553 16.895 1454 H PHE 87 H PHE 87 16.236 -6.785 9.081 1455 HA PHE 87 HA PHE 87 14.571 -9.234 9.087 1456 HB2 PHE 87 HB1 PHE 87 14.857 -7.127 6.925 1457 HB3 PHE 87 HB2 PHE 87 13.632 -8.402 7.026 1458 HD1 PHE 87 HD1 PHE 87 12.839 -7.999 9.979 1459 HD2 PHE 87 HD2 PHE 87 13.469 -5.260 6.712 1460 HE1 PHE 87 HE1 PHE 87 11.293 -6.363 11.038 1461 HE2 PHE 87 HE2 PHE 87 11.886 -3.654 7.746 1462 HZ PHE 87 HZ PHE 87 10.842 -4.182 9.941 1463 H LEU 88 H LEU 88 17.801 -8.887 8.707 1464 HA LEU 88 HA LEU 88 17.930 -10.305 6.105 1465 HB2 LEU 88 HB1 LEU 88 19.551 -7.925 7.051 1466 HB3 LEU 88 HB2 LEU 88 20.058 -8.961 5.696 1467 HG LEU 88 HG LEU 88 17.559 -8.466 4.915 1468 HD11 LEU 88 HD11 LEU 88 16.907 -6.114 5.183 1469 HD12 LEU 88 HD12 LEU 88 16.906 -6.985 6.727 1470 HD13 LEU 88 HD13 LEU 88 18.245 -5.886 6.322 1471 HD21 LEU 88 HD21 LEU 88 18.502 -6.760 3.404 1472 HD22 LEU 88 HD22 LEU 88 19.902 -6.587 4.486 1473 HD23 LEU 88 HD23 LEU 88 19.618 -8.125 3.635 1474 H GLU 89 H GLU 89 19.346 -11.743 5.754 1475 HA GLU 89 HA GLU 89 21.125 -12.856 7.819 1476 HB2 GLU 89 HB1 GLU 89 20.401 -13.696 4.979 1477 HB3 GLU 89 HB2 GLU 89 21.471 -14.612 6.067 1478 HG2 GLU 89 HG1 GLU 89 19.318 -15.656 6.045 1479 HG3 GLU 89 HG2 GLU 89 19.570 -14.898 7.634 1480 H ASP 90 H ASP 90 21.257 -11.658 4.466 1481 HA ASP 90 HA ASP 90 23.333 -9.799 4.965 1482 HB2 ASP 90 HB1 ASP 90 24.622 -12.049 4.608 1483 HB3 ASP 90 HB2 ASP 90 24.240 -11.782 2.892 1484 H ASN 91 H ASN 91 24.013 -9.518 2.147 1485 HA ASN 91 HA ASN 91 23.359 -8.752 0.158 1486 HB2 ASN 91 HB1 ASN 91 20.456 -9.052 0.932 1487 HB3 ASN 91 HB2 ASN 91 21.082 -8.580 -0.663 1488 HD21 ASN 91 HD21 ASN 91 20.555 -11.233 1.569 1489 HD22 ASN 91 HD22 ASN 91 20.994 -12.518 0.459 1490 H LYS 92 H LYS 92 24.479 -7.105 1.567 1491 HA LYS 92 HA LYS 92 23.415 -4.557 0.878 1492 HB2 LYS 92 HB1 LYS 92 23.125 -3.445 2.860 1493 HB3 LYS 92 HB2 LYS 92 22.293 -4.998 3.103 1494 HG2 LYS 92 HG1 LYS 92 25.101 -4.622 4.104 1495 HG3 LYS 92 HG2 LYS 92 23.727 -3.946 5.012 1496 HD2 LYS 92 HD1 LYS 92 24.140 -5.995 6.007 1497 HD3 LYS 92 HD2 LYS 92 22.731 -6.268 4.956 1498 HE2 LYS 92 HE1 LYS 92 24.388 -8.136 5.108 1499 HE3 LYS 92 HE2 LYS 92 23.957 -7.597 3.471 1500 HZ1 LYS 92 HZ1 LYS 92 26.290 -8.037 3.676 1501 HZ2 LYS 92 HZ2 LYS 92 26.031 -6.440 3.374 1502 HZ3 LYS 92 HZ3 LYS 92 26.433 -6.941 4.894 Start of MODEL 31 1 HA MET 1 HA MET 1 9.737 1.470 19.494 2 HB2 MET 1 HB1 MET 1 7.219 0.086 18.546 3 HB3 MET 1 HB2 MET 1 8.175 1.285 17.641 4 HG2 MET 1 HG1 MET 1 9.026 -1.497 18.507 5 HG3 MET 1 HG2 MET 1 8.777 -0.912 16.854 6 HE1 MET 1 HE1 MET 1 12.180 -0.102 15.723 7 HE2 MET 1 HE2 MET 1 10.938 -1.373 15.661 8 HE3 MET 1 HE3 MET 1 10.481 0.330 15.428 9 H GLU 2 H GLU 2 9.357 3.535 19.973 10 HA GLU 2 HA GLU 2 7.231 3.836 22.039 11 HB2 GLU 2 HB1 GLU 2 9.979 5.038 21.550 12 HB3 GLU 2 HB2 GLU 2 8.855 5.712 22.753 13 HG2 GLU 2 HG1 GLU 2 10.673 4.090 23.571 14 HG3 GLU 2 HG2 GLU 2 9.007 3.838 24.138 15 H THR 3 H THR 3 8.767 5.451 19.280 16 HA THR 3 HA THR 3 7.293 7.921 19.576 17 HB THR 3 HB THR 3 8.698 8.831 18.106 18 HG1 THR 3 HG1 THR 3 9.426 7.798 16.206 19 HG21 THR 3 HG21 THR 3 10.933 7.772 17.988 20 HG22 THR 3 HG22 THR 3 10.228 7.626 19.609 21 HG23 THR 3 HG23 THR 3 10.219 6.231 18.504 22 HA PRO 4 HA PRO 4 3.737 6.626 17.457 23 HB2 PRO 4 HB1 PRO 4 2.608 8.970 16.524 24 HB3 PRO 4 HB2 PRO 4 2.620 8.456 18.243 25 HG2 PRO 4 HG1 PRO 4 4.537 10.340 16.859 26 HG3 PRO 4 HG2 PRO 4 3.697 10.581 18.427 27 HD2 PRO 4 HD1 PRO 4 6.266 9.687 18.319 28 HD3 PRO 4 HD2 PRO 4 5.117 8.997 19.504 29 H LEU 5 H LEU 5 5.882 8.764 15.455 30 HA LEU 5 HA LEU 5 4.782 7.803 12.972 31 HB2 LEU 5 HB1 LEU 5 6.063 9.910 13.314 32 HB3 LEU 5 HB2 LEU 5 7.532 8.930 13.524 33 HG LEU 5 HG LEU 5 7.432 8.180 11.233 34 HD11 LEU 5 HD11 LEU 5 5.721 8.993 9.637 35 HD12 LEU 5 HD12 LEU 5 4.986 8.025 10.934 36 HD13 LEU 5 HD13 LEU 5 4.865 9.800 10.970 37 HD21 LEU 5 HD21 LEU 5 7.754 10.382 10.124 38 HD22 LEU 5 HD22 LEU 5 6.921 11.185 11.478 39 HD23 LEU 5 HD23 LEU 5 8.481 10.372 11.750 40 H GLU 6 H GLU 6 7.490 6.630 15.055 41 HA GLU 6 HA GLU 6 8.150 4.443 13.355 42 HB2 GLU 6 HB1 GLU 6 9.594 5.207 15.172 43 HB3 GLU 6 HB2 GLU 6 8.390 4.668 16.367 44 HG2 GLU 6 HG1 GLU 6 10.316 3.092 16.053 45 HG3 GLU 6 HG2 GLU 6 8.720 2.364 15.773 46 H LYS 7 H LYS 7 5.393 4.768 15.738 47 HA LYS 7 HA LYS 7 4.599 2.062 15.430 48 HB2 LYS 7 HB1 LYS 7 3.355 4.499 16.406 49 HB3 LYS 7 HB2 LYS 7 2.193 3.453 15.556 50 HG2 LYS 7 HG1 LYS 7 2.295 2.946 17.972 51 HG3 LYS 7 HG2 LYS 7 2.806 1.562 16.978 52 HD2 LYS 7 HD1 LYS 7 4.279 1.744 18.888 53 HD3 LYS 7 HD2 LYS 7 5.184 2.182 17.419 54 HE2 LYS 7 HE1 LYS 7 5.841 3.977 18.596 55 HE3 LYS 7 HE2 LYS 7 4.226 4.616 18.220 56 HZ1 LYS 7 HZ1 LYS 7 4.738 4.798 20.537 57 HZ2 LYS 7 HZ2 LYS 7 3.474 3.765 20.310 58 HZ3 LYS 7 HZ3 LYS 7 4.973 3.171 20.658 59 H ALA 8 H ALA 8 4.241 4.756 13.107 60 HA ALA 8 HA ALA 8 2.633 3.179 11.307 61 HB1 ALA 8 HB1 ALA 8 3.106 4.955 9.669 62 HB2 ALA 8 HB2 ALA 8 2.616 5.627 11.241 63 HB3 ALA 8 HB3 ALA 8 4.330 5.633 10.765 64 H LEU 9 H LEU 9 6.208 3.845 11.440 65 HA LEU 9 HA LEU 9 6.775 2.305 9.100 66 HB2 LEU 9 HB1 LEU 9 8.446 3.321 11.377 67 HB3 LEU 9 HB2 LEU 9 9.129 2.173 10.200 68 HG LEU 9 HG LEU 9 9.805 4.342 9.579 69 HD11 LEU 9 HD11 LEU 9 8.886 4.612 7.301 70 HD12 LEU 9 HD12 LEU 9 9.185 2.906 7.692 71 HD13 LEU 9 HD13 LEU 9 7.527 3.553 7.733 72 HD21 LEU 9 HD21 LEU 9 8.286 6.226 9.110 73 HD22 LEU 9 HD22 LEU 9 6.906 5.226 9.607 74 HD23 LEU 9 HD23 LEU 9 8.155 5.676 10.793 75 H THR 10 H THR 10 7.098 1.400 12.597 76 HA THR 10 HA THR 10 7.667 -1.308 12.352 77 HB THR 10 HB THR 10 5.992 0.188 14.380 78 HG1 THR 10 HG1 THR 10 7.934 -0.146 15.583 79 HG21 THR 10 HG21 THR 10 6.310 -1.760 15.902 80 HG22 THR 10 HG22 THR 10 5.360 -2.217 14.474 81 HG23 THR 10 HG23 THR 10 7.081 -2.658 14.578 82 H THR 11 H THR 11 4.307 0.165 12.336 83 HA THR 11 HA THR 11 3.082 -2.407 11.977 84 HB THR 11 HB THR 11 2.087 0.406 11.571 85 HG1 THR 11 HG1 THR 11 0.867 -0.320 13.395 86 HG21 THR 11 HG21 THR 11 -0.210 -0.512 11.355 87 HG22 THR 11 HG22 THR 11 0.807 -1.001 9.984 88 HG23 THR 11 HG23 THR 11 0.461 -2.154 11.295 89 H MET 12 H MET 12 4.051 0.118 9.562 90 HA MET 12 HA MET 12 3.218 -1.294 7.277 91 HB2 MET 12 HB1 MET 12 5.408 0.689 7.812 92 HB3 MET 12 HB2 MET 12 5.299 -0.110 6.225 93 HG2 MET 12 HG1 MET 12 2.977 0.755 5.990 94 HG3 MET 12 HG2 MET 12 3.163 1.613 7.528 95 HE1 MET 12 HE1 MET 12 3.435 4.200 4.328 96 HE2 MET 12 HE2 MET 12 2.673 2.598 4.234 97 HE3 MET 12 HE3 MET 12 2.347 3.660 5.625 98 H VAL 13 H VAL 13 6.536 -1.451 8.821 99 HA VAL 13 HA VAL 13 7.450 -3.369 6.931 100 HB VAL 13 HB VAL 13 9.324 -3.871 8.376 101 HG11 VAL 13 HG11 VAL 13 10.378 -1.644 8.368 102 HG12 VAL 13 HG12 VAL 13 9.427 -1.934 6.897 103 HG13 VAL 13 HG13 VAL 13 8.778 -0.896 8.189 104 HG21 VAL 13 HG21 VAL 13 9.746 -2.736 10.513 105 HG22 VAL 13 HG22 VAL 13 8.120 -2.029 10.446 106 HG23 VAL 13 HG23 VAL 13 8.322 -3.792 10.587 107 H THR 14 H THR 14 5.866 -3.813 10.098 108 HA THR 14 HA THR 14 6.183 -6.620 10.347 109 HB THR 14 HB THR 14 3.861 -4.870 11.241 110 HG1 THR 14 HG1 THR 14 5.094 -4.915 13.189 111 HG21 THR 14 HG21 THR 14 3.516 -6.609 12.985 112 HG22 THR 14 HG22 THR 14 3.309 -7.289 11.356 113 HG23 THR 14 HG23 THR 14 4.814 -7.584 12.260 114 H THR 15 H THR 15 3.621 -4.689 8.751 115 HA THR 15 HA THR 15 2.042 -7.005 8.056 116 HB THR 15 HB THR 15 1.726 -4.219 6.912 117 HG1 THR 15 HG1 THR 15 0.373 -3.873 8.747 118 HG21 THR 15 HG21 THR 15 -0.676 -4.873 6.932 119 HG22 THR 15 HG22 THR 15 0.291 -6.032 5.991 120 HG23 THR 15 HG23 THR 15 -0.237 -6.443 7.641 121 H PHE 16 H PHE 16 4.110 -4.765 6.090 122 HA PHE 16 HA PHE 16 4.004 -6.078 3.622 123 HB2 PHE 16 HB1 PHE 16 5.160 -3.978 3.924 124 HB3 PHE 16 HB2 PHE 16 6.289 -4.705 5.081 125 HD1 PHE 16 HD1 PHE 16 8.186 -6.088 4.304 126 HD2 PHE 16 HD2 PHE 16 5.465 -4.269 1.511 127 HE1 PHE 16 HE1 PHE 16 9.795 -6.504 2.462 128 HE2 PHE 16 HE2 PHE 16 7.144 -4.540 -0.297 129 HZ PHE 16 HZ PHE 16 9.277 -5.746 0.147 130 H HIS 17 H HIS 17 6.148 -6.829 6.450 131 HA HIS 17 HA HIS 17 7.751 -8.724 5.173 132 HB2 HIS 17 HB1 HIS 17 8.444 -7.928 7.298 133 HB3 HIS 17 HB2 HIS 17 6.941 -8.454 8.074 134 HD1 HIS 17 HD1 HIS 17 7.198 -10.707 9.329 135 HD2 HIS 17 HD2 HIS 17 9.828 -10.267 6.082 136 HE1 HIS 17 HE1 HIS 17 8.530 -12.878 9.173 137 HE2 HIS 17 HE2 HIS 17 10.069 -12.677 7.133 138 H LYS 18 H LYS 18 4.583 -9.279 6.843 139 HA LYS 18 HA LYS 18 4.611 -12.081 6.707 140 HB2 LYS 18 HB1 LYS 18 2.992 -10.252 7.777 141 HB3 LYS 18 HB2 LYS 18 2.025 -10.640 6.334 142 HG2 LYS 18 HG1 LYS 18 3.057 -12.759 8.224 143 HG3 LYS 18 HG2 LYS 18 1.507 -11.920 8.477 144 HD2 LYS 18 HD1 LYS 18 0.463 -13.306 7.097 145 HD3 LYS 18 HD2 LYS 18 1.624 -12.959 5.793 146 HE2 LYS 18 HE1 LYS 18 2.050 -15.046 7.960 147 HE3 LYS 18 HE2 LYS 18 1.375 -15.389 6.352 148 HZ1 LYS 18 HZ1 LYS 18 3.714 -15.880 6.456 149 HZ2 LYS 18 HZ2 LYS 18 3.438 -14.649 5.397 150 HZ3 LYS 18 HZ3 LYS 18 4.066 -14.330 6.890 151 H TYR 19 H TYR 19 3.913 -9.822 4.050 152 HA TYR 19 HA TYR 19 3.136 -12.070 2.304 153 HB2 TYR 19 HB1 TYR 19 3.080 -9.070 1.908 154 HB3 TYR 19 HB2 TYR 19 2.633 -10.246 0.661 155 HD1 TYR 19 HD1 TYR 19 1.749 -9.059 4.094 156 HD2 TYR 19 HD2 TYR 19 0.414 -11.143 0.574 157 HE1 TYR 19 HE1 TYR 19 -0.568 -9.043 4.980 158 HE2 TYR 19 HE2 TYR 19 -1.924 -11.063 1.415 159 HH TYR 19 HH TYR 19 -3.336 -10.328 3.080 160 H SER 20 H SER 20 6.045 -10.281 3.033 161 HA SER 20 HA SER 20 7.436 -11.156 0.614 162 HB2 SER 20 HB1 SER 20 9.422 -10.376 1.706 163 HB3 SER 20 HB2 SER 20 8.122 -9.195 1.993 164 HG SER 20 HG SER 20 9.362 -9.627 3.878 165 H GLY 21 H GLY 21 7.593 -12.196 4.035 166 HA2 GLY 21 HA2 GLY 21 7.829 -14.604 2.975 167 H ARG 22 H ARG 22 6.106 -14.109 1.949 168 HA ARG 22 HA ARG 22 3.909 -15.816 2.668 169 HB2 ARG 22 HB1 ARG 22 3.341 -15.691 0.280 170 HB3 ARG 22 HB2 ARG 22 3.625 -14.092 1.009 171 HG2 ARG 22 HG1 ARG 22 5.844 -14.004 -0.064 172 HG3 ARG 22 HG2 ARG 22 5.544 -15.593 -0.806 173 HD2 ARG 22 HD1 ARG 22 3.988 -13.033 -1.319 174 HD3 ARG 22 HD2 ARG 22 5.142 -13.810 -2.424 175 HE ARG 22 HE ARG 22 2.409 -14.338 -2.263 176 HH11 ARG 22 HH12 ARG 22 5.364 -16.202 -2.704 177 HH12 ARG 22 HH11 ARG 22 4.498 -17.624 -3.219 178 HH21 ARG 22 HH22 ARG 22 1.364 -16.266 -2.729 179 HH22 ARG 22 HH21 ARG 22 2.290 -17.658 -3.232 180 H GLU 23 H GLU 23 6.880 -16.206 0.839 181 HA GLU 23 HA GLU 23 7.283 -19.004 1.079 182 HB2 GLU 23 HB1 GLU 23 6.294 -18.045 -1.636 183 HB3 GLU 23 HB2 GLU 23 7.024 -19.632 -1.293 184 HG2 GLU 23 HG1 GLU 23 5.051 -20.240 0.047 185 HG3 GLU 23 HG2 GLU 23 4.324 -18.660 -0.313 186 H GLY 24 H GLY 24 7.867 -15.840 -0.520 187 HA2 GLY 24 HA2 GLY 24 10.033 -17.093 -1.403 188 H SER 25 H SER 25 10.123 -14.156 0.120 189 HA SER 25 HA SER 25 12.563 -14.967 1.315 190 HB2 SER 25 HB1 SER 25 13.427 -14.441 -1.016 191 HB3 SER 25 HB2 SER 25 13.009 -12.741 -0.695 192 HG SER 25 HG SER 25 15.184 -13.246 -0.130 193 H LYS 26 H LYS 26 13.635 -12.886 2.505 194 HA LYS 26 HA LYS 26 11.302 -11.979 4.018 195 HB2 LYS 26 HB1 LYS 26 14.237 -11.625 4.638 196 HB3 LYS 26 HB2 LYS 26 12.869 -11.413 5.756 197 HG2 LYS 26 HG1 LYS 26 13.952 -13.386 6.373 198 HG3 LYS 26 HG2 LYS 26 12.441 -13.859 5.562 199 HD2 LYS 26 HD1 LYS 26 14.504 -15.285 5.166 200 HD3 LYS 26 HD2 LYS 26 13.549 -14.785 3.748 201 HE2 LYS 26 HE1 LYS 26 15.956 -14.725 3.304 202 HE3 LYS 26 HE2 LYS 26 15.217 -13.115 3.171 203 HZ1 LYS 26 HZ1 LYS 26 17.305 -13.043 4.312 204 HZ2 LYS 26 HZ2 LYS 26 16.084 -12.610 5.329 205 HZ3 LYS 26 HZ3 LYS 26 16.771 -14.105 5.451 206 H LEU 27 H LEU 27 13.103 -10.563 1.549 207 HA LEU 27 HA LEU 27 12.988 -7.821 2.658 208 HB2 LEU 27 HB1 LEU 27 14.840 -7.264 1.321 209 HB3 LEU 27 HB2 LEU 27 15.200 -8.850 2.045 210 HG LEU 27 HG LEU 27 14.311 -8.396 -0.817 211 HD11 LEU 27 HD11 LEU 27 16.658 -8.918 -1.420 212 HD12 LEU 27 HD12 LEU 27 16.561 -7.473 -0.389 213 HD13 LEU 27 HD13 LEU 27 17.071 -9.030 0.306 214 HD21 LEU 27 HD21 LEU 27 15.024 -10.737 -1.195 215 HD22 LEU 27 HD22 LEU 27 15.417 -10.888 0.531 216 HD23 LEU 27 HD23 LEU 27 13.730 -10.642 0.020 217 H THR 28 H THR 28 11.712 -9.763 0.055 218 HA THR 28 HA THR 28 10.475 -7.420 -1.248 219 HB THR 28 HB THR 28 11.081 -8.521 -3.481 220 HG1 THR 28 HG1 THR 28 13.033 -9.713 -3.430 221 HG21 THR 28 HG21 THR 28 13.253 -7.369 -3.700 222 HG22 THR 28 HG22 THR 28 12.067 -6.377 -2.829 223 HG23 THR 28 HG23 THR 28 13.346 -7.231 -1.933 224 H LEU 29 H LEU 29 8.954 -8.148 -2.968 225 HA LEU 29 HA LEU 29 7.882 -10.816 -3.059 226 HB2 LEU 29 HB1 LEU 29 5.758 -10.500 -2.117 227 HB3 LEU 29 HB2 LEU 29 6.899 -9.850 -0.914 228 HG LEU 29 HG LEU 29 5.258 -8.172 -2.842 229 HD11 LEU 29 HD11 LEU 29 3.906 -7.606 -0.834 230 HD12 LEU 29 HD12 LEU 29 3.857 -9.352 -1.167 231 HD13 LEU 29 HD13 LEU 29 4.891 -8.724 0.139 232 HD21 LEU 29 HD21 LEU 29 5.890 -6.271 -1.383 233 HD22 LEU 29 HD22 LEU 29 6.889 -7.366 -0.401 234 HD23 LEU 29 HD23 LEU 29 7.323 -7.041 -2.096 235 H SER 30 H SER 30 6.026 -10.909 -4.686 236 HA SER 30 HA SER 30 6.459 -9.177 -6.904 237 HB2 SER 30 HB1 SER 30 3.926 -10.751 -6.333 238 HB3 SER 30 HB2 SER 30 4.474 -10.130 -7.910 239 HG SER 30 HG SER 30 4.860 -12.372 -7.655 240 H ARG 31 H ARG 31 5.569 -7.320 -7.543 241 HA ARG 31 HA ARG 31 3.999 -5.485 -6.211 242 HB2 ARG 31 HB1 ARG 31 5.288 -4.951 -8.093 243 HB3 ARG 31 HB2 ARG 31 4.516 -6.209 -9.090 244 HG2 ARG 31 HG1 ARG 31 2.668 -4.866 -9.571 245 HG3 ARG 31 HG2 ARG 31 2.951 -3.795 -8.177 246 HD2 ARG 31 HD1 ARG 31 5.033 -2.975 -9.186 247 HD3 ARG 31 HD2 ARG 31 4.855 -4.111 -10.540 248 HE ARG 31 HE ARG 31 2.702 -2.769 -11.013 249 HH11 ARG 31 HH12 ARG 31 5.524 -1.196 -9.536 250 HH12 ARG 31 HH11 ARG 31 5.192 0.330 -10.310 251 HH21 ARG 31 HH22 ARG 31 2.409 -0.812 -12.034 252 HH22 ARG 31 HH21 ARG 31 3.465 0.538 -11.695 253 H LYS 32 H LYS 32 2.782 -8.388 -7.735 254 HA LYS 32 HA LYS 32 -0.022 -7.591 -7.710 255 HB2 LYS 32 HB1 LYS 32 0.846 -8.865 -9.501 256 HB3 LYS 32 HB2 LYS 32 1.556 -10.063 -8.393 257 HG2 LYS 32 HG1 LYS 32 -1.414 -9.727 -8.566 258 HG3 LYS 32 HG2 LYS 32 -0.530 -10.647 -9.806 259 HD2 LYS 32 HD1 LYS 32 -0.907 -11.265 -6.884 260 HD3 LYS 32 HD2 LYS 32 -1.318 -12.252 -8.306 261 HE2 LYS 32 HE1 LYS 32 1.456 -11.701 -7.213 262 HE3 LYS 32 HE2 LYS 32 0.558 -13.232 -7.125 263 HZ1 LYS 32 HZ1 LYS 32 2.197 -13.260 -8.863 264 HZ2 LYS 32 HZ2 LYS 32 0.683 -13.366 -9.506 265 HZ3 LYS 32 HZ3 LYS 32 1.518 -11.946 -9.586 266 H GLU 33 H GLU 33 2.146 -9.318 -5.490 267 HA GLU 33 HA GLU 33 -0.015 -10.209 -3.763 268 HB2 GLU 33 HB1 GLU 33 2.955 -9.895 -3.218 269 HB3 GLU 33 HB2 GLU 33 1.784 -10.740 -2.178 270 HG2 GLU 33 HG1 GLU 33 2.512 -11.534 -5.021 271 HG3 GLU 33 HG2 GLU 33 3.141 -12.297 -3.545 272 H LEU 34 H LEU 34 2.180 -7.333 -3.849 273 HA LEU 34 HA LEU 34 1.296 -5.904 -1.621 274 HB2 LEU 34 HB1 LEU 34 2.993 -4.988 -2.995 275 HB3 LEU 34 HB2 LEU 34 1.982 -5.091 -4.457 276 HG LEU 34 HG LEU 34 0.508 -3.304 -3.382 277 HD11 LEU 34 HD11 LEU 34 1.583 -1.869 -1.678 278 HD12 LEU 34 HD12 LEU 34 1.363 -3.529 -1.081 279 HD13 LEU 34 HD13 LEU 34 2.968 -2.983 -1.620 280 HD21 LEU 34 HD21 LEU 34 1.979 -1.438 -4.087 281 HD22 LEU 34 HD22 LEU 34 3.375 -2.537 -4.067 282 HD23 LEU 34 HD23 LEU 34 2.056 -2.791 -5.236 283 H LYS 35 H LYS 35 -0.284 -5.998 -4.861 284 HA LYS 35 HA LYS 35 -2.553 -4.448 -4.265 285 HB2 LYS 35 HB1 LYS 35 -1.707 -5.222 -6.506 286 HB3 LYS 35 HB2 LYS 35 -2.348 -6.841 -6.138 287 HG2 LYS 35 HG1 LYS 35 -4.387 -4.820 -5.748 288 HG3 LYS 35 HG2 LYS 35 -3.681 -4.695 -7.377 289 HD2 LYS 35 HD1 LYS 35 -5.651 -6.110 -7.443 290 HD3 LYS 35 HD2 LYS 35 -4.200 -7.090 -7.762 291 HE2 LYS 35 HE1 LYS 35 -4.215 -7.912 -5.462 292 HE3 LYS 35 HE2 LYS 35 -5.606 -6.876 -5.078 293 HZ1 LYS 35 HZ1 LYS 35 -6.263 -9.136 -5.474 294 HZ2 LYS 35 HZ2 LYS 35 -6.899 -8.146 -6.627 295 HZ3 LYS 35 HZ3 LYS 35 -5.608 -9.109 -6.985 296 H GLU 36 H GLU 36 -1.913 -7.846 -3.553 297 HA GLU 36 HA GLU 36 -4.669 -8.564 -3.014 298 HB2 GLU 36 HB1 GLU 36 -2.792 -9.985 -4.002 299 HB3 GLU 36 HB2 GLU 36 -2.143 -10.095 -2.348 300 HG2 GLU 36 HG1 GLU 36 -3.464 -12.066 -2.910 301 HG3 GLU 36 HG2 GLU 36 -4.213 -11.144 -1.588 302 H LEU 37 H LEU 37 -1.763 -7.969 -0.974 303 HA LEU 37 HA LEU 37 -2.892 -8.044 1.588 304 HB2 LEU 37 HB1 LEU 37 -0.600 -7.852 1.421 305 HB3 LEU 37 HB2 LEU 37 -0.687 -6.575 0.183 306 HG LEU 37 HG LEU 37 -1.183 -4.922 1.855 307 HD11 LEU 37 HD11 LEU 37 -1.088 -5.368 4.285 308 HD12 LEU 37 HD12 LEU 37 -2.430 -6.234 3.513 309 HD13 LEU 37 HD13 LEU 37 -0.940 -7.104 3.949 310 HD21 LEU 37 HD21 LEU 37 0.995 -4.950 3.061 311 HD22 LEU 37 HD22 LEU 37 1.176 -6.677 2.681 312 HD23 LEU 37 HD23 LEU 37 1.187 -5.471 1.373 313 H ILE 38 H ILE 38 -2.881 -5.359 -0.744 314 HA ILE 38 HA ILE 38 -4.288 -3.441 0.826 315 HB ILE 38 HB ILE 38 -3.605 -3.751 -2.093 316 HG12 ILE 38 HG13 ILE 38 -2.697 -1.718 -0.018 317 HG13 ILE 38 HG12 ILE 38 -1.900 -3.292 -0.257 318 HG21 ILE 38 HG21 ILE 38 -4.269 -1.411 -2.537 319 HG22 ILE 38 HG22 ILE 38 -5.667 -2.418 -2.111 320 HG23 ILE 38 HG23 ILE 38 -4.967 -1.308 -0.909 321 HD11 ILE 38 HD11 ILE 38 -0.738 -1.505 -1.507 322 HD12 ILE 38 HD12 ILE 38 -1.447 -2.706 -2.610 323 HD13 ILE 38 HD13 ILE 38 -2.245 -1.134 -2.374 324 H LYS 39 H LYS 39 -5.574 -6.154 -0.972 325 HA LYS 39 HA LYS 39 -8.264 -5.051 -0.409 326 HB2 LYS 39 HB1 LYS 39 -7.137 -6.720 -2.563 327 HB3 LYS 39 HB2 LYS 39 -8.750 -7.204 -1.988 328 HG2 LYS 39 HG1 LYS 39 -7.919 -4.511 -3.098 329 HG3 LYS 39 HG2 LYS 39 -8.975 -5.718 -3.871 330 HD2 LYS 39 HD1 LYS 39 -9.597 -3.933 -1.507 331 HD3 LYS 39 HD2 LYS 39 -10.359 -3.936 -3.115 332 HE2 LYS 39 HE1 LYS 39 -11.317 -6.175 -2.631 333 HE3 LYS 39 HE2 LYS 39 -10.598 -6.114 -1.006 334 HZ1 LYS 39 HZ1 LYS 39 -12.895 -5.444 -0.986 335 HZ2 LYS 39 HZ2 LYS 39 -11.934 -4.177 -0.557 336 HZ3 LYS 39 HZ3 LYS 39 -12.601 -4.232 -2.064 337 H LYS 40 H LYS 40 -6.208 -6.840 1.363 338 HA LYS 40 HA LYS 40 -8.377 -8.615 2.357 339 HB2 LYS 40 HB1 LYS 40 -5.504 -9.234 1.755 340 HB3 LYS 40 HB2 LYS 40 -6.339 -10.123 3.053 341 HG2 LYS 40 HG1 LYS 40 -8.169 -10.718 1.501 342 HG3 LYS 40 HG2 LYS 40 -7.397 -9.778 0.202 343 HD2 LYS 40 HD1 LYS 40 -5.471 -11.221 0.196 344 HD3 LYS 40 HD2 LYS 40 -6.012 -12.043 1.679 345 HE2 LYS 40 HE1 LYS 40 -7.762 -13.161 0.581 346 HE3 LYS 40 HE2 LYS 40 -7.807 -11.986 -0.752 347 HZ1 LYS 40 HZ1 LYS 40 -6.875 -14.072 -1.435 348 HZ2 LYS 40 HZ2 LYS 40 -5.737 -12.885 -1.527 349 HZ3 LYS 40 HZ3 LYS 40 -5.695 -13.974 -0.289 350 H GLU 41 H GLU 41 -5.229 -7.110 3.473 351 HA GLU 41 HA GLU 41 -6.409 -6.858 6.133 352 HB2 GLU 41 HB1 GLU 41 -4.452 -6.130 6.862 353 HB3 GLU 41 HB2 GLU 41 -3.856 -6.767 5.312 354 HG2 GLU 41 HG1 GLU 41 -2.787 -4.699 5.598 355 HG3 GLU 41 HG2 GLU 41 -4.073 -4.401 4.410 356 H LEU 42 H LEU 42 -5.984 -4.757 3.294 357 HA LEU 42 HA LEU 42 -7.531 -2.603 4.587 358 HB2 LEU 42 HB1 LEU 42 -5.215 -2.522 3.159 359 HB3 LEU 42 HB2 LEU 42 -6.415 -2.204 1.882 360 HG LEU 42 HG LEU 42 -6.166 -0.608 4.454 361 HD11 LEU 42 HD11 LEU 42 -5.102 1.128 3.026 362 HD12 LEU 42 HD12 LEU 42 -4.154 -0.378 3.019 363 HD13 LEU 42 HD13 LEU 42 -5.190 0.028 1.628 364 HD21 LEU 42 HD21 LEU 42 -7.576 1.067 3.290 365 HD22 LEU 42 HD22 LEU 42 -7.697 -0.017 1.888 366 HD23 LEU 42 HD23 LEU 42 -8.418 -0.491 3.445 367 H CYS 43 H CYS 43 -9.460 -1.985 3.894 368 HA CYS 43 HA CYS 43 -10.957 -3.966 2.340 369 HB2 CYS 43 HB1 CYS 43 -11.732 -3.048 4.533 370 HB3 CYS 43 HB2 CYS 43 -11.922 -1.457 3.754 371 HG CYS 43 HG CYS 43 -14.265 -2.606 4.017 372 H LEU 44 H LEU 44 -10.110 -0.478 2.002 373 HA LEU 44 HA LEU 44 -12.278 0.247 0.497 374 HB2 LEU 44 HB1 LEU 44 -9.546 1.369 0.920 375 HB3 LEU 44 HB2 LEU 44 -10.611 2.136 -0.283 376 HG LEU 44 HG LEU 44 -12.326 2.489 1.408 377 HD11 LEU 44 HD11 LEU 44 -11.938 2.132 3.825 378 HD12 LEU 44 HD12 LEU 44 -11.946 0.598 2.934 379 HD13 LEU 44 HD13 LEU 44 -10.404 1.321 3.451 380 HD21 LEU 44 HD21 LEU 44 -11.101 4.184 2.728 381 HD22 LEU 44 HD22 LEU 44 -9.562 3.399 2.301 382 HD23 LEU 44 HD23 LEU 44 -10.554 4.162 1.035 383 H GLY 45 H GLY 45 -12.923 -0.979 -1.080 384 HA2 GLY 45 HA2 GLY 45 -12.308 0.212 -3.150 385 H GLU 46 H GLU 46 -14.172 0.582 -1.799 386 HA GLU 46 HA GLU 46 -16.430 0.425 -3.611 387 HB2 GLU 46 HB1 GLU 46 -17.795 -1.055 -2.285 388 HB3 GLU 46 HB2 GLU 46 -16.312 -1.876 -2.828 389 HG2 GLU 46 HG1 GLU 46 -16.935 -0.889 -0.032 390 HG3 GLU 46 HG2 GLU 46 -16.881 -2.576 -0.588 391 H MET 47 H MET 47 -15.378 0.995 -0.201 392 HA MET 47 HA MET 47 -17.387 2.982 0.332 393 HB2 MET 47 HB1 MET 47 -16.106 1.593 1.971 394 HB3 MET 47 HB2 MET 47 -14.684 2.608 1.632 395 HG2 MET 47 HG1 MET 47 -17.258 3.915 2.419 396 HG3 MET 47 HG2 MET 47 -16.305 3.091 3.665 397 HE1 MET 47 HE1 MET 47 -13.077 5.084 3.895 398 HE2 MET 47 HE2 MET 47 -14.110 3.810 4.594 399 HE3 MET 47 HE3 MET 47 -13.401 3.591 2.976 400 H LYS 48 H LYS 48 -14.325 3.116 -1.319 401 HA LYS 48 HA LYS 48 -14.590 6.062 -1.644 402 HB2 LYS 48 HB1 LYS 48 -12.167 4.327 -1.101 403 HB3 LYS 48 HB2 LYS 48 -12.017 5.971 -1.768 404 HG2 LYS 48 HG1 LYS 48 -13.370 5.186 0.830 405 HG3 LYS 48 HG2 LYS 48 -11.780 5.967 0.666 406 HD2 LYS 48 HD1 LYS 48 -14.530 7.134 0.386 407 HD3 LYS 48 HD2 LYS 48 -13.143 7.699 1.349 408 HE2 LYS 48 HE1 LYS 48 -12.156 8.049 -1.160 409 HE3 LYS 48 HE2 LYS 48 -13.889 8.289 -1.469 410 HZ1 LYS 48 HZ1 LYS 48 -12.793 10.342 -0.914 411 HZ2 LYS 48 HZ2 LYS 48 -13.898 9.961 0.247 412 HZ3 LYS 48 HZ3 LYS 48 -12.290 9.737 0.534 413 H GLU 49 H GLU 49 -13.733 3.020 -3.237 414 HA GLU 49 HA GLU 49 -14.160 2.351 -5.333 415 HB2 GLU 49 HB1 GLU 49 -16.199 3.943 -4.608 416 HB3 GLU 49 HB2 GLU 49 -15.693 4.754 -6.110 417 HG2 GLU 49 HG1 GLU 49 -16.045 1.794 -6.205 418 HG3 GLU 49 HG2 GLU 49 -17.513 2.782 -6.034 419 H SER 50 H SER 50 -14.430 4.592 -7.656 420 HA SER 50 HA SER 50 -12.409 3.181 -8.889 421 HB2 SER 50 HB1 SER 50 -13.797 5.766 -9.646 422 HB3 SER 50 HB2 SER 50 -12.683 4.918 -10.745 423 HG SER 50 HG SER 50 -14.875 4.322 -11.065 424 H SER 51 H SER 51 -11.846 6.311 -7.255 425 HA SER 51 HA SER 51 -9.374 6.971 -8.442 426 HB2 SER 51 HB1 SER 51 -9.853 7.151 -5.459 427 HB3 SER 51 HB2 SER 51 -8.965 8.274 -6.519 428 HG SER 51 HG SER 51 -11.004 9.098 -5.859 429 H ILE 52 H ILE 52 -10.144 4.325 -6.218 430 HA ILE 52 HA ILE 52 -7.358 3.657 -5.698 431 HB ILE 52 HB ILE 52 -8.161 1.793 -4.480 432 HG12 ILE 52 HG13 ILE 52 -10.873 1.616 -4.422 433 HG13 ILE 52 HG12 ILE 52 -10.595 1.978 -6.144 434 HG21 ILE 52 HG21 ILE 52 -9.704 2.842 -2.847 435 HG22 ILE 52 HG22 ILE 52 -8.447 3.977 -3.384 436 HG23 ILE 52 HG23 ILE 52 -10.097 4.100 -4.040 437 HD11 ILE 52 HD11 ILE 52 -10.676 -0.465 -5.747 438 HD12 ILE 52 HD12 ILE 52 -9.069 0.047 -6.302 439 HD13 ILE 52 HD13 ILE 52 -9.345 -0.313 -4.582 440 H ASP 53 H ASP 53 -9.491 3.077 -8.345 441 HA ASP 53 HA ASP 53 -8.443 0.377 -8.868 442 HB2 ASP 53 HB1 ASP 53 -10.887 0.764 -8.859 443 HB3 ASP 53 HB2 ASP 53 -10.700 1.872 -10.236 444 H ASP 54 H ASP 54 -8.421 3.635 -10.454 445 HA ASP 54 HA ASP 54 -6.762 3.031 -12.631 446 HB2 ASP 54 HB1 ASP 54 -7.528 5.307 -12.032 447 HB3 ASP 54 HB2 ASP 54 -6.496 5.282 -10.583 448 H LEU 55 H LEU 55 -5.913 3.371 -9.183 449 HA LEU 55 HA LEU 55 -3.125 2.793 -9.493 450 HB2 LEU 55 HB1 LEU 55 -4.862 2.679 -7.015 451 HB3 LEU 55 HB2 LEU 55 -3.086 2.764 -7.069 452 HG LEU 55 HG LEU 55 -4.999 4.912 -8.043 453 HD11 LEU 55 HD11 LEU 55 -4.195 6.184 -6.071 454 HD12 LEU 55 HD12 LEU 55 -4.976 4.663 -5.583 455 HD13 LEU 55 HD13 LEU 55 -3.201 4.793 -5.583 456 HD21 LEU 55 HD21 LEU 55 -2.982 6.343 -8.243 457 HD22 LEU 55 HD22 LEU 55 -1.962 4.963 -7.779 458 HD23 LEU 55 HD23 LEU 55 -2.875 4.923 -9.307 459 H MET 56 H MET 56 -5.936 0.676 -8.489 460 HA MET 56 HA MET 56 -4.553 -1.747 -8.278 461 HB2 MET 56 HB1 MET 56 -7.247 -1.197 -9.555 462 HB3 MET 56 HB2 MET 56 -6.607 -2.834 -9.268 463 HG2 MET 56 HG1 MET 56 -6.956 -0.862 -7.025 464 HG3 MET 56 HG2 MET 56 -8.309 -1.841 -7.614 465 HE1 MET 56 HE1 MET 56 -5.428 -2.866 -4.442 466 HE2 MET 56 HE2 MET 56 -5.015 -1.643 -5.670 467 HE3 MET 56 HE3 MET 56 -6.522 -1.490 -4.736 468 H LYS 57 H LYS 57 -5.765 -0.188 -11.300 469 HA LYS 57 HA LYS 57 -4.865 -2.201 -13.084 470 HB2 LYS 57 HB1 LYS 57 -5.889 0.575 -13.330 471 HB3 LYS 57 HB2 LYS 57 -4.894 -0.014 -14.684 472 HG2 LYS 57 HG1 LYS 57 -7.133 -0.571 -15.249 473 HG3 LYS 57 HG2 LYS 57 -6.385 -2.090 -14.696 474 HD2 LYS 57 HD1 LYS 57 -7.393 -1.579 -12.400 475 HD3 LYS 57 HD2 LYS 57 -8.347 -0.315 -13.215 476 HE2 LYS 57 HE1 LYS 57 -9.218 -2.081 -14.787 477 HE3 LYS 57 HE2 LYS 57 -8.379 -3.303 -13.806 478 HZ1 LYS 57 HZ1 LYS 57 -10.656 -3.048 -13.148 479 HZ2 LYS 57 HZ2 LYS 57 -9.658 -2.578 -11.921 480 HZ3 LYS 57 HZ3 LYS 57 -10.437 -1.443 -12.830 481 H SER 58 H SER 58 -3.195 0.681 -11.782 482 HA SER 58 HA SER 58 -0.911 0.485 -13.472 483 HB2 SER 58 HB1 SER 58 -1.609 2.440 -12.030 484 HB3 SER 58 HB2 SER 58 -0.951 1.548 -10.637 485 HG SER 58 HG SER 58 0.586 2.967 -11.590 486 H LEU 59 H LEU 59 -1.610 -1.155 -10.308 487 HA LEU 59 HA LEU 59 0.942 -2.492 -10.275 488 HB2 LEU 59 HB1 LEU 59 -1.652 -3.312 -8.943 489 HB3 LEU 59 HB2 LEU 59 -0.028 -3.939 -8.574 490 HG LEU 59 HG LEU 59 -1.082 -1.139 -8.086 491 HD11 LEU 59 HD11 LEU 59 -0.686 -1.725 -5.707 492 HD12 LEU 59 HD12 LEU 59 -1.805 -2.874 -6.477 493 HD13 LEU 59 HD13 LEU 59 -0.107 -3.333 -6.203 494 HD21 LEU 59 HD21 LEU 59 1.095 -0.605 -7.036 495 HD22 LEU 59 HD22 LEU 59 1.719 -2.190 -7.539 496 HD23 LEU 59 HD23 LEU 59 1.279 -0.974 -8.763 497 H ASP 60 H ASP 60 -2.302 -3.566 -11.245 498 HA ASP 60 HA ASP 60 -1.990 -6.126 -12.156 499 HB2 ASP 60 HB1 ASP 60 -4.118 -5.218 -12.076 500 HB3 ASP 60 HB2 ASP 60 -3.638 -3.744 -12.944 501 H LYS 61 H LYS 61 -1.065 -3.165 -14.015 502 HA LYS 61 HA LYS 61 -1.040 -4.349 -16.540 503 HB2 LYS 61 HB1 LYS 61 0.519 -2.051 -15.367 504 HB3 LYS 61 HB2 LYS 61 0.689 -2.529 -17.074 505 HG2 LYS 61 HG1 LYS 61 -1.267 -0.850 -15.781 506 HG3 LYS 61 HG2 LYS 61 -0.845 -1.025 -17.501 507 HD2 LYS 61 HD1 LYS 61 -2.835 -2.733 -15.990 508 HD3 LYS 61 HD2 LYS 61 -3.233 -1.365 -17.057 509 HE2 LYS 61 HE1 LYS 61 -2.801 -2.560 -18.981 510 HE3 LYS 61 HE2 LYS 61 -1.593 -3.602 -18.198 511 HZ1 LYS 61 HZ1 LYS 61 -3.616 -4.789 -18.675 512 HZ2 LYS 61 HZ2 LYS 61 -3.386 -4.703 -17.043 513 HZ3 LYS 61 HZ3 LYS 61 -4.507 -3.735 -17.770 514 H ASN 62 H ASN 62 1.503 -4.488 -14.087 515 HA ASN 62 HA ASN 62 3.068 -6.222 -15.903 516 HB2 ASN 62 HB1 ASN 62 4.045 -3.765 -14.439 517 HB3 ASN 62 HB2 ASN 62 5.148 -5.017 -15.048 518 HD21 ASN 62 HD21 ASN 62 4.657 -5.652 -17.440 519 HD22 ASN 62 HD22 ASN 62 4.386 -4.310 -18.535 520 H SER 63 H SER 63 2.581 -5.355 -12.426 521 HA SER 63 HA SER 63 1.925 -6.720 -10.829 522 HB2 SER 63 HB1 SER 63 1.671 -8.567 -13.181 523 HB3 SER 63 HB2 SER 63 1.374 -9.189 -11.540 524 HG SER 63 HG SER 63 -0.524 -8.350 -12.531 525 H ASP 64 H ASP 64 4.774 -8.267 -12.440 526 HA ASP 64 HA ASP 64 5.273 -9.668 -9.883 527 HB2 ASP 64 HB1 ASP 64 4.643 -10.994 -12.485 528 HB3 ASP 64 HB2 ASP 64 5.762 -11.776 -11.349 529 H GLN 65 H GLN 65 6.552 -7.562 -12.029 530 HA GLN 65 HA GLN 65 9.152 -7.500 -11.180 531 HB2 GLN 65 HB1 GLN 65 6.733 -5.766 -10.492 532 HB3 GLN 65 HB2 GLN 65 8.406 -5.267 -10.148 533 HG2 GLN 65 HG1 GLN 65 8.890 -4.880 -12.389 534 HG3 GLN 65 HG2 GLN 65 7.599 -5.955 -12.965 535 HE21 GLN 65 HE12 GLN 65 8.227 -2.701 -11.529 536 HE22 GLN 65 HE22 GLN 65 6.650 -2.055 -11.915 537 H GLU 66 H GLU 66 10.257 -7.945 -9.231 538 HA GLU 66 HA GLU 66 8.874 -8.182 -6.690 539 HB2 GLU 66 HB1 GLU 66 11.795 -7.771 -7.416 540 HB3 GLU 66 HB2 GLU 66 11.211 -7.919 -5.741 541 HG2 GLU 66 HG1 GLU 66 10.341 -10.186 -6.276 542 HG3 GLU 66 HG2 GLU 66 11.010 -10.036 -7.915 543 H ILE 67 H ILE 67 8.674 -6.634 -5.049 544 HA ILE 67 HA ILE 67 9.830 -3.945 -5.569 545 HB ILE 67 HB ILE 67 7.997 -2.881 -4.452 546 HG12 ILE 67 HG13 ILE 67 6.703 -5.603 -4.128 547 HG13 ILE 67 HG12 ILE 67 7.431 -4.638 -2.822 548 HG21 ILE 67 HG21 ILE 67 6.218 -3.289 -6.113 549 HG22 ILE 67 HG22 ILE 67 7.827 -3.263 -6.868 550 HG23 ILE 67 HG23 ILE 67 7.004 -4.815 -6.577 551 HD11 ILE 67 HD11 ILE 67 4.971 -4.407 -2.835 552 HD12 ILE 67 HD12 ILE 67 5.769 -2.865 -3.205 553 HD13 ILE 67 HD13 ILE 67 5.041 -3.827 -4.512 554 H ASP 68 H ASP 68 10.718 -2.811 -3.855 555 HA ASP 68 HA ASP 68 11.606 -4.538 -1.604 556 HB2 ASP 68 HB1 ASP 68 13.688 -3.336 -1.676 557 HB3 ASP 68 HB2 ASP 68 13.286 -3.887 -3.317 558 H PHE 69 H PHE 69 9.190 -3.315 -1.150 559 HA PHE 69 HA PHE 69 8.064 -2.226 0.472 560 HB2 PHE 69 HB1 PHE 69 9.894 -2.971 1.934 561 HB3 PHE 69 HB2 PHE 69 10.764 -1.463 1.602 562 HD1 PHE 69 HD1 PHE 69 7.377 -2.539 2.891 563 HD2 PHE 69 HD2 PHE 69 10.735 0.125 3.257 564 HE1 PHE 69 HE1 PHE 69 6.442 -1.642 5.006 565 HE2 PHE 69 HE2 PHE 69 9.733 1.116 5.299 566 HZ PHE 69 HZ PHE 69 7.582 0.231 6.182 567 H LYS 70 H LYS 70 9.969 -0.568 -1.792 568 HA LYS 70 HA LYS 70 9.453 2.148 -0.797 569 HB2 LYS 70 HB1 LYS 70 11.580 1.120 -1.911 570 HB3 LYS 70 HB2 LYS 70 10.697 1.376 -3.436 571 HG2 LYS 70 HG1 LYS 70 10.435 3.800 -2.753 572 HG3 LYS 70 HG2 LYS 70 11.559 3.467 -1.412 573 HD2 LYS 70 HD1 LYS 70 12.133 3.119 -4.377 574 HD3 LYS 70 HD2 LYS 70 12.738 4.430 -3.337 575 HE2 LYS 70 HE1 LYS 70 14.588 3.074 -3.346 576 HE3 LYS 70 HE2 LYS 70 13.736 2.381 -1.949 577 HZ1 LYS 70 HZ1 LYS 70 14.497 0.690 -3.455 578 HZ2 LYS 70 HZ2 LYS 70 12.849 0.704 -3.404 579 HZ3 LYS 70 HZ3 LYS 70 13.640 1.347 -4.700 580 H GLU 71 H GLU 71 8.727 0.320 -3.823 581 HA GLU 71 HA GLU 71 6.709 1.979 -4.851 582 HB2 GLU 71 HB1 GLU 71 6.859 -1.054 -4.869 583 HB3 GLU 71 HB2 GLU 71 5.735 -0.083 -5.850 584 HG2 GLU 71 HG1 GLU 71 8.255 0.974 -6.451 585 HG3 GLU 71 HG2 GLU 71 8.528 -0.780 -6.348 586 H TYR 72 H TYR 72 6.565 -0.548 -2.329 587 HA TYR 72 HA TYR 72 3.792 -0.563 -1.821 588 HB2 TYR 72 HB1 TYR 72 5.062 -2.275 -0.914 589 HB3 TYR 72 HB2 TYR 72 6.280 -1.168 -0.258 590 HD1 TYR 72 HD2 TYR 72 5.757 0.164 1.813 591 HD2 TYR 72 HD1 TYR 72 3.307 -3.111 0.467 592 HE1 TYR 72 HE2 TYR 72 4.731 0.007 4.064 593 HE2 TYR 72 HE1 TYR 72 2.390 -3.373 2.760 594 HH TYR 72 HH TYR 72 3.386 -1.200 5.447 595 H SER 73 H SER 73 6.334 1.536 -0.254 596 HA SER 73 HA SER 73 4.368 2.844 1.373 597 HB2 SER 73 HB1 SER 73 6.176 4.333 2.033 598 HB3 SER 73 HB2 SER 73 6.683 2.627 2.069 599 HG SER 73 HG SER 73 8.260 4.005 1.144 600 H VAL 74 H VAL 74 5.916 3.849 -1.751 601 HA VAL 74 HA VAL 74 4.550 6.372 -1.734 602 HB VAL 74 HB VAL 74 5.164 6.672 -4.024 603 HG11 VAL 74 HG11 VAL 74 7.612 6.593 -3.755 604 HG12 VAL 74 HG12 VAL 74 6.801 7.122 -2.265 605 HG13 VAL 74 HG13 VAL 74 7.420 5.458 -2.400 606 HG21 VAL 74 HG21 VAL 74 6.450 5.052 -5.351 607 HG22 VAL 74 HG22 VAL 74 6.232 3.844 -4.071 608 HG23 VAL 74 HG23 VAL 74 4.824 4.458 -4.969 609 H PHE 75 H PHE 75 3.645 3.169 -3.076 610 HA PHE 75 HA PHE 75 1.323 4.176 -4.453 611 HB2 PHE 75 HB1 PHE 75 2.419 2.008 -4.981 612 HB3 PHE 75 HB2 PHE 75 1.892 1.381 -3.410 613 HD1 PHE 75 HD1 PHE 75 -0.590 1.006 -2.975 614 HD2 PHE 75 HD2 PHE 75 0.897 2.257 -6.821 615 HE1 PHE 75 HE1 PHE 75 -2.661 0.158 -4.059 616 HE2 PHE 75 HE2 PHE 75 -1.157 1.381 -7.895 617 HZ PHE 75 HZ PHE 75 -2.907 0.273 -6.526 618 H LEU 76 H LEU 76 1.812 2.666 -1.170 619 HA LEU 76 HA LEU 76 -0.920 2.787 -0.406 620 HB2 LEU 76 HB1 LEU 76 1.701 2.759 1.090 621 HB3 LEU 76 HB2 LEU 76 0.152 2.910 1.956 622 HG LEU 76 HG LEU 76 0.730 0.647 0.017 623 HD11 LEU 76 HD11 LEU 76 1.308 -0.690 2.016 624 HD12 LEU 76 HD12 LEU 76 2.428 0.681 1.813 625 HD13 LEU 76 HD13 LEU 76 1.136 0.760 3.037 626 HD21 LEU 76 HD21 LEU 76 -1.076 -0.496 1.272 627 HD22 LEU 76 HD22 LEU 76 -1.270 0.941 2.300 628 HD23 LEU 76 HD23 LEU 76 -1.653 1.030 0.564 629 H THR 77 H THR 77 1.712 5.211 -0.014 630 HA THR 77 HA THR 77 0.187 7.227 1.282 631 HB THR 77 HB THR 77 2.593 7.406 -0.567 632 HG1 THR 77 HG1 THR 77 3.612 7.547 1.490 633 HG21 THR 77 HG21 THR 77 3.012 9.597 0.523 634 HG22 THR 77 HG22 THR 77 1.469 9.610 -0.363 635 HG23 THR 77 HG23 THR 77 1.477 9.444 1.411 636 H MET 78 H MET 78 0.769 6.606 -2.199 637 HA MET 78 HA MET 78 -0.790 8.806 -3.155 638 HB2 MET 78 HB1 MET 78 1.018 7.643 -4.380 639 HB3 MET 78 HB2 MET 78 -0.012 6.195 -4.495 640 HG2 MET 78 HG1 MET 78 -1.238 7.039 -6.185 641 HG3 MET 78 HG2 MET 78 -1.256 8.673 -5.499 642 HE1 MET 78 HE1 MET 78 2.117 6.880 -8.139 643 HE2 MET 78 HE2 MET 78 1.763 6.293 -6.497 644 HE3 MET 78 HE3 MET 78 0.560 6.090 -7.792 645 H LEU 79 H LEU 79 -1.639 5.454 -2.374 646 HA LEU 79 HA LEU 79 -4.306 5.481 -3.431 647 HB2 LEU 79 HB1 LEU 79 -3.103 3.418 -3.208 648 HB3 LEU 79 HB2 LEU 79 -2.801 3.710 -1.479 649 HG LEU 79 HG LEU 79 -5.182 3.432 -0.998 650 HD11 LEU 79 HD11 LEU 79 -6.761 2.610 -2.715 651 HD12 LEU 79 HD12 LEU 79 -6.135 4.220 -3.128 652 HD13 LEU 79 HD13 LEU 79 -5.496 2.776 -3.951 653 HD21 LEU 79 HD21 LEU 79 -5.341 1.003 -1.450 654 HD22 LEU 79 HD22 LEU 79 -4.047 1.147 -2.660 655 HD23 LEU 79 HD23 LEU 79 -3.701 1.461 -0.942 656 H CYS 80 H CYS 80 -3.012 5.813 -0.055 657 HA CYS 80 HA CYS 80 -5.533 6.353 1.145 658 HB2 CYS 80 HB1 CYS 80 -3.365 5.696 2.236 659 HB3 CYS 80 HB2 CYS 80 -2.805 7.368 1.995 660 HG CYS 80 HG CYS 80 -3.529 7.024 4.488 661 H MET 81 H MET 81 -3.187 8.600 -0.431 662 HA MET 81 HA MET 81 -4.845 10.911 -0.029 663 HB2 MET 81 HB1 MET 81 -2.531 10.330 -1.883 664 HB3 MET 81 HB2 MET 81 -3.372 11.898 -1.849 665 HG2 MET 81 HG1 MET 81 -2.135 10.559 0.583 666 HG3 MET 81 HG2 MET 81 -1.313 11.782 -0.400 667 HE1 MET 81 HE1 MET 81 -2.588 13.108 3.289 668 HE2 MET 81 HE2 MET 81 -2.501 11.382 2.860 669 HE3 MET 81 HE3 MET 81 -1.161 12.473 2.435 670 H ALA 82 H ALA 82 -5.195 8.267 -2.283 671 HA ALA 82 HA ALA 82 -6.855 9.715 -4.135 672 HB1 ALA 82 HB1 ALA 82 -7.508 7.482 -4.944 673 HB2 ALA 82 HB2 ALA 82 -5.745 7.621 -4.750 674 HB3 ALA 82 HB3 ALA 82 -6.707 6.739 -3.540 675 H TYR 83 H TYR 83 -7.382 8.958 -0.866 676 HA TYR 83 HA TYR 83 -10.241 9.530 -1.222 677 HB2 TYR 83 HB1 TYR 83 -10.803 7.848 0.501 678 HB3 TYR 83 HB2 TYR 83 -10.229 7.199 -1.046 679 HD1 TYR 83 HD1 TYR 83 -9.076 7.919 2.459 680 HD2 TYR 83 HD2 TYR 83 -8.656 5.533 -1.097 681 HE1 TYR 83 HE1 TYR 83 -7.663 6.305 3.714 682 HE2 TYR 83 HE2 TYR 83 -7.357 3.849 0.177 683 HH TYR 83 HH TYR 83 -6.420 3.289 2.203 684 H ASN 84 H ASN 84 -7.406 10.046 0.769 685 HA ASN 84 HA ASN 84 -8.788 11.492 2.835 686 HB2 ASN 84 HB1 ASN 84 -5.967 11.639 1.736 687 HB3 ASN 84 HB2 ASN 84 -6.546 12.674 3.060 688 HD21 ASN 84 HD21 ASN 84 -4.374 10.922 3.367 689 HD22 ASN 84 HD22 ASN 84 -4.830 9.671 4.508 690 H ASP 85 H ASP 85 -10.293 12.853 2.142 691 HA ASP 85 HA ASP 85 -9.554 15.073 0.278 692 HB2 ASP 85 HB1 ASP 85 -12.313 13.876 0.767 693 HB3 ASP 85 HB2 ASP 85 -11.864 15.072 -0.468 694 H PHE 86 H PHE 86 -11.330 14.086 3.230 695 HA PHE 86 HA PHE 86 -12.163 16.784 3.899 696 HB2 PHE 86 HB1 PHE 86 -13.470 14.689 4.355 697 HB3 PHE 86 HB2 PHE 86 -12.280 14.286 5.605 698 HD1 PHE 86 HD2 PHE 86 -14.744 16.908 4.566 699 HD2 PHE 86 HD1 PHE 86 -12.473 15.192 7.799 700 HE1 PHE 86 HE2 PHE 86 -15.980 18.329 6.189 701 HE2 PHE 86 HE1 PHE 86 -13.703 16.619 9.419 702 HZ PHE 86 HZ PHE 86 -15.457 18.187 8.615 703 H PHE 87 H PHE 87 -9.955 17.490 3.628 704 HA PHE 87 HA PHE 87 -8.939 18.580 5.984 705 HB2 PHE 87 HB1 PHE 87 -6.896 17.664 6.411 706 HB3 PHE 87 HB2 PHE 87 -7.894 16.233 6.098 707 HD1 PHE 87 HD2 PHE 87 -7.839 15.556 3.400 708 HD2 PHE 87 HD1 PHE 87 -4.743 17.542 5.642 709 HE1 PHE 87 HE2 PHE 87 -6.132 14.740 1.791 710 HE2 PHE 87 HE1 PHE 87 -3.040 16.703 4.039 711 HZ PHE 87 HZ PHE 87 -3.738 15.326 2.092 712 H LEU 88 H LEU 88 -8.564 17.816 2.553 713 HA LEU 88 HA LEU 88 -7.518 20.397 1.808 714 HB2 LEU 88 HB1 LEU 88 -8.663 17.945 0.606 715 HB3 LEU 88 HB2 LEU 88 -9.025 19.438 -0.293 716 HG LEU 88 HG LEU 88 -7.113 18.343 -1.220 717 HD11 LEU 88 HD11 LEU 88 -5.435 20.147 -1.168 718 HD12 LEU 88 HD12 LEU 88 -7.089 20.784 -1.294 719 HD13 LEU 88 HD13 LEU 88 -6.230 20.834 0.265 720 HD21 LEU 88 HD21 LEU 88 -5.031 17.961 0.039 721 HD22 LEU 88 HD22 LEU 88 -5.820 18.564 1.513 722 HD23 LEU 88 HD23 LEU 88 -6.400 17.070 0.739 723 H GLU 89 H GLU 89 -8.650 22.005 0.741 724 HA GLU 89 HA GLU 89 -11.554 22.300 1.190 725 HB2 GLU 89 HB1 GLU 89 -11.020 24.632 0.213 726 HB3 GLU 89 HB2 GLU 89 -10.562 24.241 1.888 727 HG2 GLU 89 HG1 GLU 89 -8.569 24.072 -0.374 728 HG3 GLU 89 HG2 GLU 89 -8.920 25.604 0.453 729 H ASP 90 H ASP 90 -9.181 21.742 -1.307 730 HA ASP 90 HA ASP 90 -11.332 21.561 -3.342 731 HB2 ASP 90 HB1 ASP 90 -9.820 23.734 -3.284 732 HB3 ASP 90 HB2 ASP 90 -8.669 22.681 -4.136 733 H ASN 91 H ASN 91 -9.775 20.664 -5.527 734 HA ASN 91 HA ASN 91 -10.240 17.947 -4.809 735 HB2 ASN 91 HB1 ASN 91 -9.382 19.370 -7.342 736 HB3 ASN 91 HB2 ASN 91 -9.628 17.611 -7.281 737 HD21 ASN 91 HD21 ASN 91 -11.284 20.763 -6.880 738 HD22 ASN 91 HD22 ASN 91 -12.904 20.136 -7.153 739 H LYS 92 H LYS 92 -7.370 19.641 -4.634 740 HA LYS 92 HA LYS 92 -5.355 19.017 -3.787 741 HB2 LYS 92 HB1 LYS 92 -5.825 16.313 -4.971 742 HB3 LYS 92 HB2 LYS 92 -4.173 16.869 -4.611 743 HG2 LYS 92 HG1 LYS 92 -4.606 15.843 -2.650 744 HG3 LYS 92 HG2 LYS 92 -5.284 17.444 -2.265 745 HD2 LYS 92 HD1 LYS 92 -6.754 15.748 -1.402 746 HD3 LYS 92 HD2 LYS 92 -7.557 16.543 -2.776 747 HE2 LYS 92 HE1 LYS 92 -7.401 14.685 -4.130 748 HE3 LYS 92 HE2 LYS 92 -5.908 14.111 -3.355 749 HZ1 LYS 92 HZ1 LYS 92 -7.769 12.698 -2.851 750 HZ2 LYS 92 HZ2 LYS 92 -7.222 13.424 -1.477 751 HZ3 LYS 92 HZ3 LYS 92 -8.608 13.956 -2.197 752 HA MET 1 HA MET 1 -13.507 -2.888 9.121 753 HB2 MET 1 HB1 MET 1 -13.308 -1.691 6.339 754 HB3 MET 1 HB2 MET 1 -12.358 -3.079 6.917 755 HG2 MET 1 HG1 MET 1 -15.362 -2.894 6.559 756 HG3 MET 1 HG2 MET 1 -14.228 -3.934 5.682 757 HE1 MET 1 HE1 MET 1 -13.948 -7.073 7.630 758 HE2 MET 1 HE2 MET 1 -14.341 -6.349 6.053 759 HE3 MET 1 HE3 MET 1 -12.827 -5.911 6.880 760 H GLU 2 H GLU 2 -12.091 -2.077 10.695 761 HA GLU 2 HA GLU 2 -10.818 0.536 10.051 762 HB2 GLU 2 HB1 GLU 2 -11.714 -0.785 12.621 763 HB3 GLU 2 HB2 GLU 2 -10.600 0.603 12.619 764 HG2 GLU 2 HG1 GLU 2 -12.967 1.289 12.924 765 HG3 GLU 2 HG2 GLU 2 -12.245 1.975 11.454 766 H THR 3 H THR 3 -9.070 -0.200 8.926 767 HA THR 3 HA THR 3 -7.826 -2.706 9.554 768 HB THR 3 HB THR 3 -7.137 -2.730 7.467 769 HG1 THR 3 HG1 THR 3 -6.007 -1.012 6.466 770 HG21 THR 3 HG21 THR 3 -8.216 -1.223 5.816 771 HG22 THR 3 HG22 THR 3 -9.357 -1.748 7.068 772 HG23 THR 3 HG23 THR 3 -8.650 -0.116 7.133 773 HA PRO 4 HA PRO 4 -4.478 -1.268 12.011 774 HB2 PRO 4 HB1 PRO 4 -2.571 -3.233 11.662 775 HB3 PRO 4 HB2 PRO 4 -4.046 -3.409 12.667 776 HG2 PRO 4 HG1 PRO 4 -3.608 -4.337 9.834 777 HG3 PRO 4 HG2 PRO 4 -4.351 -5.243 11.191 778 HD2 PRO 4 HD1 PRO 4 -5.858 -3.961 9.301 779 HD3 PRO 4 HD2 PRO 4 -6.360 -3.997 11.018 780 H LEU 5 H LEU 5 -3.612 -2.153 8.581 781 HA LEU 5 HA LEU 5 -1.216 -0.547 8.645 782 HB2 LEU 5 HB1 LEU 5 -1.905 -2.506 7.100 783 HB3 LEU 5 HB2 LEU 5 -2.727 -1.248 6.147 784 HG LEU 5 HG LEU 5 0.220 -1.194 6.828 785 HD11 LEU 5 HD11 LEU 5 0.565 -2.056 4.512 786 HD12 LEU 5 HD12 LEU 5 -0.373 -3.209 5.490 787 HD13 LEU 5 HD13 LEU 5 -1.198 -2.175 4.298 788 HD21 LEU 5 HD21 LEU 5 0.423 0.364 4.920 789 HD22 LEU 5 HD22 LEU 5 -1.334 0.281 4.679 790 HD23 LEU 5 HD23 LEU 5 -0.669 1.001 6.166 791 H GLU 6 H GLU 6 -4.635 0.222 7.649 792 HA GLU 6 HA GLU 6 -4.041 2.909 6.947 793 HB2 GLU 6 HB1 GLU 6 -6.169 1.908 6.429 794 HB3 GLU 6 HB2 GLU 6 -6.556 1.760 8.159 795 HG2 GLU 6 HG1 GLU 6 -7.743 3.619 7.024 796 HG3 GLU 6 HG2 GLU 6 -6.741 4.141 8.394 797 H LYS 7 H LYS 7 -4.417 1.449 10.311 798 HA LYS 7 HA LYS 7 -4.133 3.950 11.589 799 HB2 LYS 7 HB1 LYS 7 -2.746 1.471 12.597 800 HB3 LYS 7 HB2 LYS 7 -3.247 2.906 13.524 801 HG2 LYS 7 HG1 LYS 7 -5.039 0.829 12.255 802 HG3 LYS 7 HG2 LYS 7 -4.743 1.090 13.991 803 HD2 LYS 7 HD1 LYS 7 -5.738 3.387 13.771 804 HD3 LYS 7 HD2 LYS 7 -6.124 3.023 12.072 805 HE2 LYS 7 HE1 LYS 7 -6.919 1.144 14.313 806 HE3 LYS 7 HE2 LYS 7 -7.945 2.522 13.865 807 HZ1 LYS 7 HZ1 LYS 7 -8.557 0.537 12.683 808 HZ2 LYS 7 HZ2 LYS 7 -7.997 1.673 11.626 809 HZ3 LYS 7 HZ3 LYS 7 -7.044 0.395 12.041 810 H ALA 8 H ALA 8 -1.545 2.106 9.921 811 HA ALA 8 HA ALA 8 0.563 3.836 10.798 812 HB1 ALA 8 HB1 ALA 8 1.862 2.865 8.946 813 HB2 ALA 8 HB2 ALA 8 1.011 1.612 9.877 814 HB3 ALA 8 HB3 ALA 8 0.379 2.128 8.295 815 H LEU 9 H LEU 9 -1.347 3.847 7.693 816 HA LEU 9 HA LEU 9 -0.254 6.247 6.678 817 HB2 LEU 9 HB1 LEU 9 -2.849 4.796 6.269 818 HB3 LEU 9 HB2 LEU 9 -2.605 6.401 5.541 819 HG LEU 9 HG LEU 9 -2.227 4.650 3.938 820 HD11 LEU 9 HD11 LEU 9 0.016 5.278 3.110 821 HD12 LEU 9 HD12 LEU 9 -0.886 6.690 3.699 822 HD13 LEU 9 HD13 LEU 9 0.399 5.972 4.699 823 HD21 LEU 9 HD21 LEU 9 -0.379 3.030 4.124 824 HD22 LEU 9 HD22 LEU 9 -0.011 3.649 5.748 825 HD23 LEU 9 HD23 LEU 9 -1.561 2.835 5.435 826 H THR 10 H THR 10 -3.362 5.885 8.486 827 HA THR 10 HA THR 10 -4.058 8.528 8.919 828 HB THR 10 HB THR 10 -4.287 6.109 10.727 829 HG1 THR 10 HG1 THR 10 -6.449 6.228 9.929 830 HG21 THR 10 HG21 THR 10 -6.099 7.337 11.916 831 HG22 THR 10 HG22 THR 10 -4.539 8.166 12.097 832 HG23 THR 10 HG23 THR 10 -5.747 8.779 10.942 833 H THR 11 H THR 11 -1.654 6.612 10.892 834 HA THR 11 HA THR 11 -1.164 8.836 12.641 835 HB THR 11 HB THR 11 0.589 6.420 12.132 836 HG1 THR 11 HG1 THR 11 -0.489 5.756 14.062 837 HG21 THR 11 HG21 THR 11 1.495 6.927 14.391 838 HG22 THR 11 HG22 THR 11 1.806 8.267 13.264 839 HG23 THR 11 HG23 THR 11 0.492 8.393 14.458 840 H MET 12 H MET 12 0.585 7.696 9.687 841 HA MET 12 HA MET 12 2.635 9.621 9.694 842 HB2 MET 12 HB1 MET 12 1.183 8.253 7.409 843 HB3 MET 12 HB2 MET 12 2.556 9.359 7.154 844 HG2 MET 12 HG1 MET 12 3.991 7.921 8.515 845 HG3 MET 12 HG2 MET 12 2.627 6.840 8.846 846 HE1 MET 12 HE1 MET 12 5.575 5.558 6.102 847 HE2 MET 12 HE2 MET 12 5.765 7.058 7.038 848 HE3 MET 12 HE3 MET 12 5.246 5.560 7.849 849 H VAL 13 H VAL 13 -0.713 9.914 8.302 850 HA VAL 13 HA VAL 13 -0.157 12.606 7.421 851 HB VAL 13 HB VAL 13 -2.516 12.868 6.941 852 HG11 VAL 13 HG11 VAL 13 -2.642 11.147 5.165 853 HG12 VAL 13 HG12 VAL 13 -1.005 11.824 5.307 854 HG13 VAL 13 HG13 VAL 13 -1.367 10.218 5.983 855 HG21 VAL 13 HG21 VAL 13 -4.137 11.028 7.152 856 HG22 VAL 13 HG22 VAL 13 -2.925 10.076 8.034 857 HG23 VAL 13 HG23 VAL 13 -3.558 11.585 8.735 858 H THR 14 H THR 14 -1.556 11.262 10.415 859 HA THR 14 HA THR 14 -2.462 13.731 11.522 860 HB THR 14 HB THR 14 -1.526 11.183 12.886 861 HG1 THR 14 HG1 THR 14 -3.808 10.869 12.929 862 HG21 THR 14 HG21 THR 14 -2.925 11.933 14.799 863 HG22 THR 14 HG22 THR 14 -1.602 13.078 14.489 864 HG23 THR 14 HG23 THR 14 -3.256 13.458 13.951 865 H THR 15 H THR 15 0.677 12.034 11.777 866 HA THR 15 HA THR 15 1.918 13.970 13.494 867 HB THR 15 HB THR 15 4.073 12.862 12.587 868 HG1 THR 15 HG1 THR 15 3.628 10.828 11.633 869 HG21 THR 15 HG21 THR 15 3.736 10.839 13.976 870 HG22 THR 15 HG22 THR 15 3.088 12.287 14.775 871 HG23 THR 15 HG23 THR 15 1.985 11.139 13.978 872 H PHE 16 H PHE 16 1.912 13.559 9.903 873 HA PHE 16 HA PHE 16 3.709 15.733 9.386 874 HB2 PHE 16 HB1 PHE 16 3.232 13.942 7.816 875 HB3 PHE 16 HB2 PHE 16 1.523 14.409 7.752 876 HD1 PHE 16 HD2 PHE 16 0.934 16.686 6.714 877 HD2 PHE 16 HD1 PHE 16 4.776 14.798 6.244 878 HE1 PHE 16 HE2 PHE 16 1.318 17.980 4.635 879 HE2 PHE 16 HE1 PHE 16 5.104 16.007 4.097 880 HZ PHE 16 HZ PHE 16 3.361 17.583 3.273 881 H HIS 17 H HIS 17 0.092 15.607 9.511 882 HA HIS 17 HA HIS 17 -0.371 18.335 8.930 883 HB2 HIS 17 HB1 HIS 17 -2.055 16.481 9.014 884 HB3 HIS 17 HB2 HIS 17 -1.970 16.546 10.784 885 HD1 HIS 17 HD1 HIS 17 -2.139 19.800 11.036 886 HD2 HIS 17 HD2 HIS 17 -4.536 17.268 8.705 887 HE1 HIS 17 HE1 HIS 17 -4.323 21.050 10.631 888 HE2 HIS 17 HE2 HIS 17 -5.803 19.529 9.193 889 H LYS 18 H LYS 18 0.716 16.812 11.978 890 HA LYS 18 HA LYS 18 -0.005 18.921 13.724 891 HB2 LYS 18 HB1 LYS 18 0.600 16.570 14.318 892 HB3 LYS 18 HB2 LYS 18 2.303 16.969 13.990 893 HG2 LYS 18 HG1 LYS 18 2.292 18.638 15.769 894 HG3 LYS 18 HG2 LYS 18 0.556 18.361 16.052 895 HD2 LYS 18 HD1 LYS 18 1.057 16.011 16.696 896 HD3 LYS 18 HD2 LYS 18 2.792 16.333 16.462 897 HE2 LYS 18 HE1 LYS 18 2.319 16.531 18.824 898 HE3 LYS 18 HE2 LYS 18 2.612 18.165 18.188 899 HZ1 LYS 18 HZ1 LYS 18 0.708 18.102 19.636 900 HZ2 LYS 18 HZ2 LYS 18 0.239 18.487 18.103 901 HZ3 LYS 18 HZ3 LYS 18 -0.033 16.971 18.693 902 H TYR 19 H TYR 19 2.699 18.781 11.466 903 HA TYR 19 HA TYR 19 3.844 21.242 12.698 904 HB2 TYR 19 HB1 TYR 19 5.183 19.086 11.033 905 HB3 TYR 19 HB2 TYR 19 5.970 20.571 11.594 906 HD1 TYR 19 HD2 TYR 19 4.308 17.449 12.740 907 HD2 TYR 19 HD1 TYR 19 6.951 20.670 13.799 908 HE1 TYR 19 HE2 TYR 19 4.816 16.306 14.877 909 HE2 TYR 19 HE1 TYR 19 7.560 19.477 15.896 910 HH TYR 19 HH TYR 19 6.078 16.321 16.786 911 H SER 20 H SER 20 2.749 19.778 9.619 912 HA SER 20 HA SER 20 3.120 22.049 7.933 913 HB2 SER 20 HB1 SER 20 2.462 19.817 7.160 914 HB3 SER 20 HB2 SER 20 0.947 19.918 8.090 915 HG SER 20 HG SER 20 0.652 20.352 5.860 916 H GLY 21 H GLY 21 0.325 21.070 9.938 917 HA2 GLY 21 HA2 GLY 21 -0.409 23.588 9.588 918 H ARG 22 H ARG 22 1.380 23.221 11.401 919 HA ARG 22 HA ARG 22 0.529 25.028 13.428 920 HB2 ARG 22 HB1 ARG 22 2.785 23.840 13.177 921 HB3 ARG 22 HB2 ARG 22 3.205 25.112 12.004 922 HG2 ARG 22 HG1 ARG 22 2.763 26.852 13.690 923 HG3 ARG 22 HG2 ARG 22 2.250 25.615 14.862 924 HD2 ARG 22 HD1 ARG 22 4.531 26.326 15.335 925 HD3 ARG 22 HD2 ARG 22 4.515 24.633 14.798 926 HE ARG 22 HE ARG 22 5.925 25.226 13.156 927 HH11 ARG 22 HH12 ARG 22 4.355 28.270 14.010 928 HH12 ARG 22 HH11 ARG 22 5.114 29.121 12.689 929 HH21 ARG 22 HH22 ARG 22 6.700 26.274 11.425 930 HH22 ARG 22 HH21 ARG 22 6.431 27.995 11.237 931 H GLU 23 H GLU 23 1.379 25.510 10.001 932 HA GLU 23 HA GLU 23 0.359 28.285 10.168 933 HB2 GLU 23 HB1 GLU 23 3.010 27.395 9.028 934 HB3 GLU 23 HB2 GLU 23 2.220 28.900 8.497 935 HG2 GLU 23 HG1 GLU 23 2.200 29.767 10.746 936 HG3 GLU 23 HG2 GLU 23 2.754 28.212 11.407 937 H GLY 24 H GLY 24 1.635 27.174 7.029 938 HA2 GLY 24 HA2 GLY 24 -0.949 27.489 6.583 939 H SER 25 H SER 25 -0.376 25.129 6.537 940 HA SER 25 HA SER 25 -2.141 24.325 4.401 941 HB2 SER 25 HB1 SER 25 -0.174 24.606 3.015 942 HB3 SER 25 HB2 SER 25 0.816 23.661 4.154 943 HG SER 25 HG SER 25 0.166 22.441 2.315 944 H LYS 26 H LYS 26 -2.521 21.935 4.434 945 HA LYS 26 HA LYS 26 -1.461 20.576 6.847 946 HB2 LYS 26 HB1 LYS 26 -3.722 19.327 6.816 947 HB3 LYS 26 HB2 LYS 26 -3.587 20.942 7.554 948 HG2 LYS 26 HG1 LYS 26 -4.546 20.683 4.724 949 HG3 LYS 26 HG2 LYS 26 -5.647 20.307 6.071 950 HD2 LYS 26 HD1 LYS 26 -5.884 22.495 6.653 951 HD3 LYS 26 HD2 LYS 26 -4.169 22.864 6.361 952 HE2 LYS 26 HE1 LYS 26 -5.286 24.114 4.720 953 HE3 LYS 26 HE2 LYS 26 -4.757 22.656 3.851 954 HZ1 LYS 26 HZ1 LYS 26 -7.016 23.222 3.347 955 HZ2 LYS 26 HZ2 LYS 26 -6.951 21.773 4.129 956 HZ3 LYS 26 HZ3 LYS 26 -7.443 23.125 4.935 957 H LEU 27 H LEU 27 -1.162 20.637 3.669 958 HA LEU 27 HA LEU 27 -0.906 17.710 3.269 959 HB2 LEU 27 HB1 LEU 27 -1.556 18.140 0.885 960 HB3 LEU 27 HB2 LEU 27 -2.854 18.380 2.080 961 HG LEU 27 HG LEU 27 -1.308 20.788 1.206 962 HD11 LEU 27 HD11 LEU 27 -2.731 21.043 -0.810 963 HD12 LEU 27 HD12 LEU 27 -1.721 19.583 -0.917 964 HD13 LEU 27 HD13 LEU 27 -3.447 19.444 -0.504 965 HD21 LEU 27 HD21 LEU 27 -3.540 21.867 1.390 966 HD22 LEU 27 HD22 LEU 27 -4.274 20.282 1.719 967 HD23 LEU 27 HD23 LEU 27 -3.125 20.990 2.880 968 H THR 28 H THR 28 0.701 20.667 3.323 969 HA THR 28 HA THR 28 3.094 19.624 2.000 970 HB THR 28 HB THR 28 3.393 21.749 0.739 971 HG1 THR 28 HG1 THR 28 1.508 22.989 0.345 972 HG21 THR 28 HG21 THR 28 1.901 21.222 -1.157 973 HG22 THR 28 HG22 THR 28 2.623 19.756 -0.463 974 HG23 THR 28 HG23 THR 28 0.934 20.181 -0.093 975 H LEU 29 H LEU 29 5.045 20.644 2.792 976 HA LEU 29 HA LEU 29 4.845 23.028 4.397 977 HB2 LEU 29 HB1 LEU 29 5.282 22.309 6.542 978 HB3 LEU 29 HB2 LEU 29 4.072 21.149 5.942 979 HG LEU 29 HG LEU 29 7.059 20.636 6.155 980 HD11 LEU 29 HD11 LEU 29 6.428 19.132 8.027 981 HD12 LEU 29 HD12 LEU 29 5.947 20.812 8.362 982 HD13 LEU 29 HD13 LEU 29 4.727 19.623 7.845 983 HD21 LEU 29 HD21 LEU 29 6.468 18.278 5.690 984 HD22 LEU 29 HD22 LEU 29 4.766 18.749 5.484 985 HD23 LEU 29 HD23 LEU 29 5.999 19.339 4.343 986 H SER 30 H SER 30 6.847 23.699 5.449 987 HA SER 30 HA SER 30 9.041 23.891 3.709 988 HB2 SER 30 HB1 SER 30 8.860 25.595 5.262 989 HB3 SER 30 HB2 SER 30 8.385 24.490 6.576 990 HG SER 30 HG SER 30 10.468 25.393 6.881 991 H ARG 31 H ARG 31 11.030 22.846 3.481 992 HA ARG 31 HA ARG 31 11.459 20.239 4.503 993 HB2 ARG 31 HB1 ARG 31 13.862 21.872 3.832 994 HB3 ARG 31 HB2 ARG 31 13.471 20.181 3.434 995 HG2 ARG 31 HG1 ARG 31 11.675 21.503 1.878 996 HG3 ARG 31 HG2 ARG 31 13.024 22.664 1.901 997 HD2 ARG 31 HD1 ARG 31 13.292 19.735 1.145 998 HD3 ARG 31 HD2 ARG 31 13.049 21.053 -0.024 999 HE ARG 31 HE ARG 31 15.400 21.146 1.766 1000 HH11 ARG 31 HH12 ARG 31 14.200 20.937 -1.571 1001 HH12 ARG 31 HH11 ARG 31 15.799 21.014 -2.248 1002 HH21 ARG 31 HH22 ARG 31 17.434 21.153 0.754 1003 HH22 ARG 31 HH21 ARG 31 17.554 21.131 -0.985 1004 H LYS 32 H LYS 32 12.497 23.394 5.764 1005 HA LYS 32 HA LYS 32 14.095 22.463 7.930 1006 HB2 LYS 32 HB1 LYS 32 14.352 24.680 7.090 1007 HB3 LYS 32 HB2 LYS 32 12.634 25.053 7.365 1008 HG2 LYS 32 HG1 LYS 32 14.252 24.239 9.741 1009 HG3 LYS 32 HG2 LYS 32 14.583 25.841 9.039 1010 HD2 LYS 32 HD1 LYS 32 12.503 26.678 9.617 1011 HD3 LYS 32 HD2 LYS 32 11.719 25.081 9.548 1012 HE2 LYS 32 HE1 LYS 32 13.828 25.504 11.638 1013 HE3 LYS 32 HE2 LYS 32 12.268 26.319 11.876 1014 HZ1 LYS 32 HZ1 LYS 32 12.311 24.164 12.911 1015 HZ2 LYS 32 HZ2 LYS 32 11.200 24.185 11.695 1016 HZ3 LYS 32 HZ3 LYS 32 12.648 23.430 11.474 1017 H GLU 33 H GLU 33 10.550 22.983 7.658 1018 HA GLU 33 HA GLU 33 10.208 22.382 10.486 1019 HB2 GLU 33 HB1 GLU 33 8.746 23.875 8.917 1020 HB3 GLU 33 HB2 GLU 33 7.956 22.334 8.504 1021 HG2 GLU 33 HG1 GLU 33 6.680 23.217 10.285 1022 HG3 GLU 33 HG2 GLU 33 7.700 21.962 11.022 1023 H LEU 34 H LEU 34 9.713 20.513 7.417 1024 HA LEU 34 HA LEU 34 8.696 18.189 8.663 1025 HB2 LEU 34 HB1 LEU 34 8.634 18.620 6.242 1026 HB3 LEU 34 HB2 LEU 34 10.402 18.436 6.160 1027 HG LEU 34 HG LEU 34 10.236 16.103 6.822 1028 HD11 LEU 34 HD11 LEU 34 8.060 14.957 7.102 1029 HD12 LEU 34 HD12 LEU 34 8.281 16.238 8.313 1030 HD13 LEU 34 HD13 LEU 34 7.222 16.512 6.908 1031 HD21 LEU 34 HD21 LEU 34 9.070 15.190 4.842 1032 HD22 LEU 34 HD22 LEU 34 8.255 16.752 4.606 1033 HD23 LEU 34 HD23 LEU 34 10.022 16.633 4.427 1034 H LYS 35 H LYS 35 12.144 19.155 8.141 1035 HA LYS 35 HA LYS 35 13.117 16.730 9.345 1036 HB2 LYS 35 HB1 LYS 35 15.190 17.492 8.913 1037 HB3 LYS 35 HB2 LYS 35 14.219 18.353 7.696 1038 HG2 LYS 35 HG1 LYS 35 14.246 20.342 9.316 1039 HG3 LYS 35 HG2 LYS 35 15.527 19.464 10.185 1040 HD2 LYS 35 HD1 LYS 35 16.482 19.123 7.713 1041 HD3 LYS 35 HD2 LYS 35 15.529 20.589 7.390 1042 HE2 LYS 35 HE1 LYS 35 16.731 21.794 9.141 1043 HE3 LYS 35 HE2 LYS 35 17.632 20.323 9.568 1044 HZ1 LYS 35 HZ1 LYS 35 18.898 21.752 8.126 1045 HZ2 LYS 35 HZ2 LYS 35 18.566 20.329 7.360 1046 HZ3 LYS 35 HZ3 LYS 35 17.730 21.695 6.962 1047 H GLU 36 H GLU 36 12.005 19.754 10.713 1048 HA GLU 36 HA GLU 36 12.952 19.331 13.375 1049 HB2 GLU 36 HB1 GLU 36 11.847 21.415 12.181 1050 HB3 GLU 36 HB2 GLU 36 10.333 20.686 12.769 1051 HG2 GLU 36 HG1 GLU 36 10.968 22.198 14.459 1052 HG3 GLU 36 HG2 GLU 36 11.462 20.604 15.069 1053 H LEU 37 H LEU 37 9.860 18.344 11.735 1054 HA LEU 37 HA LEU 37 8.540 17.182 13.909 1055 HB2 LEU 37 HB1 LEU 37 7.257 17.306 12.013 1056 HB3 LEU 37 HB2 LEU 37 8.571 16.747 10.950 1057 HG LEU 37 HG LEU 37 8.201 14.452 11.642 1058 HD11 LEU 37 HD11 LEU 37 6.230 13.722 12.952 1059 HD12 LEU 37 HD12 LEU 37 7.328 14.719 13.924 1060 HD13 LEU 37 HD13 LEU 37 5.829 15.420 13.269 1061 HD21 LEU 37 HD21 LEU 37 5.986 14.107 10.567 1062 HD22 LEU 37 HD22 LEU 37 5.602 15.823 10.826 1063 HD23 LEU 37 HD23 LEU 37 6.924 15.360 9.726 1064 H ILE 38 H ILE 38 10.884 15.647 11.679 1065 HA ILE 38 HA ILE 38 10.812 13.085 12.873 1066 HB ILE 38 HB ILE 38 12.916 14.424 11.153 1067 HG12 ILE 38 HG13 ILE 38 10.761 12.358 10.545 1068 HG13 ILE 38 HG12 ILE 38 10.638 14.098 10.192 1069 HG21 ILE 38 HG21 ILE 38 13.821 12.151 10.756 1070 HG22 ILE 38 HG22 ILE 38 13.961 12.607 12.469 1071 HG23 ILE 38 HG23 ILE 38 12.680 11.487 11.948 1072 HD11 ILE 38 HD11 ILE 38 11.223 12.815 8.157 1073 HD12 ILE 38 HD12 ILE 38 12.534 13.915 8.627 1074 HD13 ILE 38 HD13 ILE 38 12.659 12.176 8.981 1075 H LYS 39 H LYS 39 13.356 15.700 13.456 1076 HA LYS 39 HA LYS 39 14.329 13.943 15.555 1077 HB2 LYS 39 HB1 LYS 39 15.483 16.093 13.996 1078 HB3 LYS 39 HB2 LYS 39 15.917 16.202 15.719 1079 HG2 LYS 39 HG1 LYS 39 16.462 13.808 15.770 1080 HG3 LYS 39 HG2 LYS 39 15.931 13.628 14.080 1081 HD2 LYS 39 HD1 LYS 39 18.206 13.596 13.888 1082 HD3 LYS 39 HD2 LYS 39 17.824 15.305 13.566 1083 HE2 LYS 39 HE1 LYS 39 18.883 16.034 15.444 1084 HE3 LYS 39 HE2 LYS 39 18.359 14.637 16.411 1085 HZ1 LYS 39 HZ1 LYS 39 20.726 14.637 16.061 1086 HZ2 LYS 39 HZ2 LYS 39 20.045 13.329 15.322 1087 HZ3 LYS 39 HZ3 LYS 39 20.533 14.624 14.424 1088 H LYS 40 H LYS 40 11.770 16.053 15.716 1089 HA LYS 40 HA LYS 40 12.119 16.415 18.623 1090 HB2 LYS 40 HB1 LYS 40 10.235 17.378 16.520 1091 HB3 LYS 40 HB2 LYS 40 9.584 17.191 18.167 1092 HG2 LYS 40 HG1 LYS 40 10.412 19.470 17.592 1093 HG3 LYS 40 HG2 LYS 40 11.113 18.742 19.056 1094 HD2 LYS 40 HD1 LYS 40 13.215 18.332 17.891 1095 HD3 LYS 40 HD2 LYS 40 12.520 18.928 16.364 1096 HE2 LYS 40 HE1 LYS 40 12.055 21.115 17.416 1097 HE3 LYS 40 HE2 LYS 40 12.706 20.524 18.961 1098 HZ1 LYS 40 HZ1 LYS 40 14.305 21.834 17.766 1099 HZ2 LYS 40 HZ2 LYS 40 14.831 20.277 17.897 1100 HZ3 LYS 40 HZ3 LYS 40 14.227 20.826 16.465 1101 H GLU 41 H GLU 41 10.347 14.276 16.362 1102 HA GLU 41 HA GLU 41 8.960 13.082 18.680 1103 HB2 GLU 41 HB1 GLU 41 7.346 12.295 17.308 1104 HB3 GLU 41 HB2 GLU 41 7.841 13.774 16.454 1105 HG2 GLU 41 HG1 GLU 41 7.631 12.324 14.695 1106 HG3 GLU 41 HG2 GLU 41 9.351 12.099 15.083 1107 H LEU 42 H LEU 42 11.502 12.279 16.377 1108 HA LEU 42 HA LEU 42 11.711 9.544 17.509 1109 HB2 LEU 42 HB1 LEU 42 11.451 10.374 14.867 1110 HB3 LEU 42 HB2 LEU 42 13.201 10.100 15.039 1111 HG LEU 42 HG LEU 42 11.031 8.085 15.684 1112 HD11 LEU 42 HD11 LEU 42 11.749 6.928 13.613 1113 HD12 LEU 42 HD12 LEU 42 11.162 8.572 13.272 1114 HD13 LEU 42 HD13 LEU 42 12.910 8.237 13.292 1115 HD21 LEU 42 HD21 LEU 42 12.835 6.396 15.787 1116 HD22 LEU 42 HD22 LEU 42 14.036 7.675 15.515 1117 HD23 LEU 42 HD23 LEU 42 13.062 7.669 17.004 1118 H CYS 43 H CYS 43 13.437 9.004 18.639 1119 HA CYS 43 HA CYS 43 15.640 10.818 19.066 1120 HB2 CYS 43 HB1 CYS 43 14.693 9.077 20.720 1121 HB3 CYS 43 HB2 CYS 43 15.665 7.888 19.817 1122 HG CYS 43 HG CYS 43 16.971 8.668 21.951 1123 H LEU 44 H LEU 44 16.378 11.240 16.936 1124 HA LEU 44 HA LEU 44 18.282 9.171 15.992 1125 HB2 LEU 44 HB1 LEU 44 17.027 11.555 14.705 1126 HB3 LEU 44 HB2 LEU 44 18.677 11.104 14.211 1127 HG LEU 44 HG LEU 44 17.638 8.688 14.010 1128 HD11 LEU 44 HD11 LEU 44 15.282 8.690 13.253 1129 HD12 LEU 44 HD12 LEU 44 15.424 9.257 14.931 1130 HD13 LEU 44 HD13 LEU 44 15.174 10.427 13.614 1131 HD21 LEU 44 HD21 LEU 44 17.088 9.116 11.630 1132 HD22 LEU 44 HD22 LEU 44 17.012 10.860 11.967 1133 HD23 LEU 44 HD23 LEU 44 18.556 9.989 12.120 1134 H GLY 45 H GLY 45 19.853 9.099 17.300 1135 HA2 GLY 45 HA2 GLY 45 21.715 10.022 17.476 1136 H GLU 46 H GLU 46 20.989 7.895 17.690 1137 HA GLU 46 HA GLU 46 22.765 6.725 19.610 1138 HB2 GLU 46 HB1 GLU 46 21.104 5.592 21.041 1139 HB3 GLU 46 HB2 GLU 46 21.036 7.362 21.212 1140 HG2 GLU 46 HG1 GLU 46 18.997 7.510 20.011 1141 HG3 GLU 46 HG2 GLU 46 19.159 5.861 19.368 1142 H MET 47 H MET 47 20.332 6.380 17.129 1143 HA MET 47 HA MET 47 20.501 3.483 17.005 1144 HB2 MET 47 HB1 MET 47 19.046 5.505 15.287 1145 HB3 MET 47 HB2 MET 47 18.922 3.736 15.121 1146 HG2 MET 47 HG1 MET 47 18.393 3.804 17.697 1147 HG3 MET 47 HG2 MET 47 18.018 5.510 17.400 1148 HE1 MET 47 HE1 MET 47 15.166 5.370 14.828 1149 HE2 MET 47 HE2 MET 47 16.216 6.393 15.845 1150 HE3 MET 47 HE3 MET 47 16.918 5.454 14.505 1151 H LYS 48 H LYS 48 20.478 3.611 13.939 1152 HA LYS 48 HA LYS 48 23.408 3.064 13.885 1153 HB2 LYS 48 HB1 LYS 48 20.913 1.966 12.646 1154 HB3 LYS 48 HB2 LYS 48 22.507 1.593 11.949 1155 HG2 LYS 48 HG1 LYS 48 21.466 -0.099 13.482 1156 HG3 LYS 48 HG2 LYS 48 23.164 0.354 13.760 1157 HD2 LYS 48 HD1 LYS 48 20.990 1.522 15.489 1158 HD3 LYS 48 HD2 LYS 48 21.610 -0.119 15.786 1159 HE2 LYS 48 HE1 LYS 48 23.835 0.661 16.101 1160 HE3 LYS 48 HE2 LYS 48 23.461 2.250 15.401 1161 HZ1 LYS 48 HZ1 LYS 48 23.709 2.364 17.780 1162 HZ2 LYS 48 HZ2 LYS 48 22.164 2.733 17.349 1163 HZ3 LYS 48 HZ3 LYS 48 22.510 1.257 18.000 1164 H GLU 49 H GLU 49 21.250 5.195 12.724 1165 HA GLU 49 HA GLU 49 21.720 6.900 11.015 1166 HB2 GLU 49 HB1 GLU 49 22.847 7.308 13.817 1167 HB3 GLU 49 HB2 GLU 49 22.336 8.611 12.716 1168 HG2 GLU 49 HG1 GLU 49 20.021 7.771 12.764 1169 HG3 GLU 49 HG2 GLU 49 20.515 6.422 13.808 1170 H SER 50 H SER 50 23.026 7.715 9.646 1171 HA SER 50 HA SER 50 25.486 8.975 9.987 1172 HB2 SER 50 HB1 SER 50 25.695 6.139 8.953 1173 HB3 SER 50 HB2 SER 50 26.814 7.405 8.392 1174 HG SER 50 HG SER 50 27.612 6.248 10.202 1175 H SER 51 H SER 51 24.117 6.771 7.511 1176 HA SER 51 HA SER 51 23.774 8.604 5.367 1177 HB2 SER 51 HB1 SER 51 22.027 6.179 5.883 1178 HB3 SER 51 HB2 SER 51 22.638 6.807 4.334 1179 HG SER 51 HG SER 51 23.742 4.907 5.022 1180 H ILE 52 H ILE 52 22.716 9.701 7.878 1181 HA ILE 52 HA ILE 52 19.904 10.243 7.134 1182 HB ILE 52 HB ILE 52 19.195 10.246 9.387 1183 HG12 ILE 52 HG13 ILE 52 20.812 9.210 11.181 1184 HG13 ILE 52 HG12 ILE 52 22.065 9.977 10.178 1185 HG21 ILE 52 HG21 ILE 52 19.473 7.850 9.989 1186 HG22 ILE 52 HG22 ILE 52 19.247 8.061 8.240 1187 HG23 ILE 52 HG23 ILE 52 20.871 7.749 8.899 1188 HD11 ILE 52 HD11 ILE 52 21.432 11.434 12.081 1189 HD12 ILE 52 HD12 ILE 52 21.001 12.171 10.526 1190 HD13 ILE 52 HD13 ILE 52 19.747 11.404 11.528 1191 H ASP 53 H ASP 53 22.970 11.439 8.525 1192 HA ASP 53 HA ASP 53 21.847 14.057 9.081 1193 HB2 ASP 53 HB1 ASP 53 23.800 12.997 10.317 1194 HB3 ASP 53 HB2 ASP 53 24.792 13.381 8.892 1195 H ASP 54 H ASP 54 23.963 12.686 6.519 1196 HA ASP 54 HA ASP 54 24.086 14.756 4.689 1197 HB2 ASP 54 HB1 ASP 54 25.118 12.557 4.397 1198 HB3 ASP 54 HB2 ASP 54 23.520 11.795 4.251 1199 H LEU 55 H LEU 55 21.236 12.613 5.294 1200 HA LEU 55 HA LEU 55 19.674 13.703 3.139 1201 HB2 LEU 55 HB1 LEU 55 18.832 12.202 5.637 1202 HB3 LEU 55 HB2 LEU 55 17.798 12.525 4.224 1203 HG LEU 55 HG LEU 55 20.275 10.776 4.289 1204 HD11 LEU 55 HD11 LEU 55 18.634 8.948 3.923 1205 HD12 LEU 55 HD12 LEU 55 18.290 9.829 5.430 1206 HD13 LEU 55 HD13 LEU 55 17.306 10.130 3.977 1207 HD21 LEU 55 HD21 LEU 55 19.675 10.129 1.977 1208 HD22 LEU 55 HD22 LEU 55 18.350 11.313 1.994 1209 HD23 LEU 55 HD23 LEU 55 20.041 11.864 2.090 1210 H MET 56 H MET 56 19.683 14.323 6.686 1211 HA MET 56 HA MET 56 17.732 16.413 6.675 1212 HB2 MET 56 HB1 MET 56 20.050 15.814 8.560 1213 HB3 MET 56 HB2 MET 56 18.693 16.909 8.916 1214 HG2 MET 56 HG1 MET 56 18.315 13.988 8.217 1215 HG3 MET 56 HG2 MET 56 18.577 14.545 9.878 1216 HE1 MET 56 HE1 MET 56 15.371 15.843 11.128 1217 HE2 MET 56 HE2 MET 56 16.806 14.838 11.449 1218 HE3 MET 56 HE3 MET 56 17.003 16.526 10.923 1219 H LYS 57 H LYS 57 21.178 16.384 6.018 1220 HA LYS 57 HA LYS 57 21.527 19.264 5.914 1221 HB2 LYS 57 HB1 LYS 57 23.214 17.534 6.702 1222 HB3 LYS 57 HB2 LYS 57 23.423 17.093 4.991 1223 HG2 LYS 57 HG1 LYS 57 25.165 18.677 5.948 1224 HG3 LYS 57 HG2 LYS 57 24.356 19.236 4.463 1225 HD2 LYS 57 HD1 LYS 57 23.001 20.766 5.629 1226 HD3 LYS 57 HD2 LYS 57 23.273 19.956 7.191 1227 HE2 LYS 57 HE1 LYS 57 25.619 20.765 7.176 1228 HE3 LYS 57 HE2 LYS 57 25.303 21.613 5.647 1229 HZ1 LYS 57 HZ1 LYS 57 25.074 23.068 7.532 1230 HZ2 LYS 57 HZ2 LYS 57 23.619 22.890 6.777 1231 HZ3 LYS 57 HZ3 LYS 57 23.911 22.104 8.196 1232 H SER 58 H SER 58 20.697 16.759 3.690 1233 HA SER 58 HA SER 58 20.868 18.327 1.277 1234 HB2 SER 58 HB1 SER 58 20.823 15.821 1.328 1235 HB3 SER 58 HB2 SER 58 19.117 15.909 1.829 1236 HG SER 58 HG SER 58 19.366 15.714 -0.448 1237 H LEU 59 H LEU 59 18.141 17.507 3.555 1238 HA LEU 59 HA LEU 59 16.218 19.191 2.375 1239 HB2 LEU 59 HB1 LEU 59 16.637 18.413 5.271 1240 HB3 LEU 59 HB2 LEU 59 15.199 19.268 4.663 1241 HG LEU 59 HG LEU 59 16.106 16.452 4.001 1242 HD11 LEU 59 HD11 LEU 59 13.933 15.837 5.022 1243 HD12 LEU 59 HD12 LEU 59 14.944 16.762 6.157 1244 HD13 LEU 59 HD13 LEU 59 13.589 17.556 5.319 1245 HD21 LEU 59 HD21 LEU 59 14.106 16.223 2.568 1246 HD22 LEU 59 HD22 LEU 59 13.742 17.946 2.811 1247 HD23 LEU 59 HD23 LEU 59 15.216 17.458 1.942 1248 H ASP 60 H ASP 60 18.864 20.013 4.564 1249 HA ASP 60 HA ASP 60 18.392 22.688 5.196 1250 HB2 ASP 60 HB1 ASP 60 20.260 20.836 5.687 1251 HB3 ASP 60 HB2 ASP 60 21.123 21.721 4.413 1252 H LYS 61 H LYS 61 19.449 21.405 2.022 1253 HA LYS 61 HA LYS 61 21.093 23.619 1.317 1254 HB2 LYS 61 HB1 LYS 61 19.684 21.670 -0.536 1255 HB3 LYS 61 HB2 LYS 61 21.088 22.687 -0.939 1256 HG2 LYS 61 HG1 LYS 61 21.112 20.511 1.158 1257 HG3 LYS 61 HG2 LYS 61 21.580 20.266 -0.541 1258 HD2 LYS 61 HD1 LYS 61 22.962 22.250 1.286 1259 HD3 LYS 61 HD2 LYS 61 23.482 20.558 1.103 1260 HE2 LYS 61 HE1 LYS 61 23.557 21.007 -1.423 1261 HE3 LYS 61 HE2 LYS 61 23.386 22.730 -1.021 1262 HZ1 LYS 61 HZ1 LYS 61 25.678 22.100 -1.276 1263 HZ2 LYS 61 HZ2 LYS 61 25.387 22.560 0.281 1264 HZ3 LYS 61 HZ3 LYS 61 25.546 20.961 -0.091 1265 H ASN 62 H ASN 62 17.625 23.214 1.021 1266 HA ASN 62 HA ASN 62 17.429 25.914 -0.188 1267 HB2 ASN 62 HB1 ASN 62 15.632 23.622 -1.027 1268 HB3 ASN 62 HB2 ASN 62 15.756 25.240 -1.750 1269 HD21 ASN 62 HD21 ASN 62 17.966 25.775 -2.713 1270 HD22 ASN 62 HD22 ASN 62 18.833 24.481 -3.523 1271 H SER 63 H SER 63 16.059 23.454 1.899 1272 HA SER 63 HA SER 63 15.049 23.540 3.812 1273 HB2 SER 63 HB1 SER 63 16.052 26.358 3.758 1274 HB3 SER 63 HB2 SER 63 15.079 25.764 5.126 1275 HG SER 63 HG SER 63 17.339 25.380 5.407 1276 H ASP 64 H ASP 64 13.321 25.543 1.469 1277 HA ASP 64 HA ASP 64 10.977 25.688 3.192 1278 HB2 ASP 64 HB1 ASP 64 12.790 28.089 2.888 1279 HB3 ASP 64 HB2 ASP 64 11.050 28.262 3.207 1280 H GLN 65 H GLN 65 12.208 25.154 0.254 1281 HA GLN 65 HA GLN 65 9.777 25.920 -1.054 1282 HB2 GLN 65 HB1 GLN 65 9.998 23.774 -2.233 1283 HB3 GLN 65 HB2 GLN 65 11.539 24.663 -2.191 1284 HG2 GLN 65 HG1 GLN 65 12.479 23.177 -0.619 1285 HG3 GLN 65 HG2 GLN 65 10.897 22.476 -0.212 1286 HE21 GLN 65 HE12 GLN 65 9.898 20.985 -1.802 1287 HE22 GLN 65 HE22 GLN 65 10.938 20.133 -2.919 1288 H GLU 66 H GLU 66 7.787 24.577 -1.199 1289 HA GLU 66 HA GLU 66 7.092 23.107 1.201 1290 HB2 GLU 66 HB1 GLU 66 5.782 23.517 -1.494 1291 HB3 GLU 66 HB2 GLU 66 5.090 22.451 -0.247 1292 HG2 GLU 66 HG1 GLU 66 4.886 24.292 1.310 1293 HG3 GLU 66 HG2 GLU 66 5.797 25.373 0.235 1294 H ILE 67 H ILE 67 6.930 20.966 1.508 1295 HA ILE 67 HA ILE 67 7.834 18.990 -0.548 1296 HB ILE 67 HB ILE 67 7.954 18.925 2.506 1297 HG12 ILE 67 HG13 ILE 67 10.156 19.054 0.411 1298 HG13 ILE 67 HG12 ILE 67 9.732 20.309 1.601 1299 HG21 ILE 67 HG21 ILE 67 9.083 16.735 2.265 1300 HG22 ILE 67 HG22 ILE 67 7.441 16.695 1.584 1301 HG23 ILE 67 HG23 ILE 67 8.851 16.813 0.505 1302 HD11 ILE 67 HD11 ILE 67 11.756 19.060 2.304 1303 HD12 ILE 67 HD12 ILE 67 10.411 18.797 3.436 1304 HD13 ILE 67 HD13 ILE 67 10.833 17.542 2.247 1305 H ASP 68 H ASP 68 6.399 17.218 -0.860 1306 HA ASP 68 HA ASP 68 3.779 17.394 0.478 1307 HB2 ASP 68 HB1 ASP 68 2.787 16.601 -1.374 1308 HB3 ASP 68 HB2 ASP 68 4.256 17.253 -2.133 1309 H PHE 69 H PHE 69 2.585 15.295 0.816 1310 HA PHE 69 HA PHE 69 3.763 13.712 2.807 1311 HB2 PHE 69 HB1 PHE 69 1.702 12.204 2.163 1312 HB3 PHE 69 HB2 PHE 69 1.468 13.807 2.880 1313 HD1 PHE 69 HD1 PHE 69 1.656 12.085 -0.469 1314 HD2 PHE 69 HD2 PHE 69 0.086 15.383 1.816 1315 HE1 PHE 69 HE1 PHE 69 0.397 12.873 -2.461 1316 HE2 PHE 69 HE2 PHE 69 -1.196 16.145 -0.167 1317 HZ PHE 69 HZ PHE 69 -1.048 14.889 -2.307 1318 H LYS 70 H LYS 70 4.230 13.334 -0.615 1319 HA LYS 70 HA LYS 70 4.686 10.426 -0.515 1320 HB2 LYS 70 HB1 LYS 70 3.487 11.944 -2.300 1321 HB3 LYS 70 HB2 LYS 70 5.149 12.239 -2.867 1322 HG2 LYS 70 HG1 LYS 70 5.463 9.808 -3.185 1323 HG3 LYS 70 HG2 LYS 70 3.794 9.524 -2.636 1324 HD2 LYS 70 HD1 LYS 70 4.609 11.205 -5.044 1325 HD3 LYS 70 HD2 LYS 70 3.956 9.549 -5.112 1326 HE2 LYS 70 HE1 LYS 70 1.871 10.375 -3.994 1327 HE3 LYS 70 HE2 LYS 70 2.521 12.028 -4.072 1328 HZ1 LYS 70 HZ1 LYS 70 1.025 11.576 -5.877 1329 HZ2 LYS 70 HZ2 LYS 70 2.548 11.837 -6.453 1330 HZ3 LYS 70 HZ3 LYS 70 1.944 10.304 -6.383 1331 H GLU 71 H GLU 71 6.563 13.386 -1.416 1332 HA GLU 71 HA GLU 71 9.175 12.448 -1.256 1333 HB2 GLU 71 HB1 GLU 71 7.943 14.960 -0.073 1334 HB3 GLU 71 HB2 GLU 71 9.693 14.676 -0.230 1335 HG2 GLU 71 HG1 GLU 71 9.033 14.339 -2.793 1336 HG3 GLU 71 HG2 GLU 71 7.669 15.373 -2.319 1337 H TYR 72 H TYR 72 6.881 13.203 1.399 1338 HA TYR 72 HA TYR 72 8.700 12.758 3.567 1339 HB2 TYR 72 HB1 TYR 72 6.814 14.071 3.934 1340 HB3 TYR 72 HB2 TYR 72 5.723 12.885 3.198 1341 HD1 TYR 72 HD2 TYR 72 8.118 12.908 6.126 1342 HD2 TYR 72 HD1 TYR 72 4.208 11.921 4.619 1343 HE1 TYR 72 HE2 TYR 72 7.314 12.556 8.456 1344 HE2 TYR 72 HE1 TYR 72 3.419 11.486 6.936 1345 HH TYR 72 HH TYR 72 5.529 12.058 9.795 1346 H SER 73 H SER 73 6.302 10.582 2.005 1347 HA SER 73 HA SER 73 6.844 8.254 3.496 1348 HB2 SER 73 HB1 SER 73 4.911 8.302 2.138 1349 HB3 SER 73 HB2 SER 73 5.835 8.761 0.689 1350 HG SER 73 HG SER 73 5.215 6.547 0.683 1351 H VAL 74 H VAL 74 8.477 9.401 0.423 1352 HA VAL 74 HA VAL 74 10.151 7.067 0.408 1353 HB VAL 74 HB VAL 74 11.572 8.147 -1.238 1354 HG11 VAL 74 HG11 VAL 74 9.899 8.211 -3.054 1355 HG12 VAL 74 HG12 VAL 74 9.585 6.884 -1.916 1356 HG13 VAL 74 HG13 VAL 74 8.606 8.368 -1.847 1357 HG21 VAL 74 HG21 VAL 74 10.996 10.291 -2.299 1358 HG22 VAL 74 HG22 VAL 74 9.734 10.542 -1.078 1359 HG23 VAL 74 HG23 VAL 74 11.447 10.493 -0.596 1360 H PHE 75 H PHE 75 10.548 10.288 1.935 1361 HA PHE 75 HA PHE 75 13.343 9.912 2.528 1362 HB2 PHE 75 HB1 PHE 75 12.082 12.084 2.467 1363 HB3 PHE 75 HB2 PHE 75 11.287 11.609 3.976 1364 HD1 PHE 75 HD1 PHE 75 12.598 11.488 6.109 1365 HD2 PHE 75 HD2 PHE 75 14.362 12.876 2.434 1366 HE1 PHE 75 HE1 PHE 75 14.451 12.539 7.390 1367 HE2 PHE 75 HE2 PHE 75 16.157 14.002 3.722 1368 HZ PHE 75 HZ PHE 75 16.234 13.797 6.198 1369 H LEU 76 H LEU 76 10.328 9.311 4.468 1370 HA LEU 76 HA LEU 76 11.650 8.141 6.701 1371 HB2 LEU 76 HB1 LEU 76 8.879 7.704 5.541 1372 HB3 LEU 76 HB2 LEU 76 9.419 7.063 7.112 1373 HG LEU 76 HG LEU 76 9.237 10.007 6.392 1374 HD11 LEU 76 HD11 LEU 76 7.238 9.976 7.850 1375 HD12 LEU 76 HD12 LEU 76 7.040 8.878 6.463 1376 HD13 LEU 76 HD13 LEU 76 7.424 8.219 8.072 1377 HD21 LEU 76 HD21 LEU 76 9.531 10.398 8.811 1378 HD22 LEU 76 HD22 LEU 76 9.739 8.651 9.066 1379 HD23 LEU 76 HD23 LEU 76 10.937 9.561 8.114 1380 H THR 77 H THR 77 10.321 6.638 3.706 1381 HA THR 77 HA THR 77 10.912 3.946 4.478 1382 HB THR 77 HB THR 77 10.482 5.124 1.716 1383 HG1 THR 77 HG1 THR 77 8.414 4.192 2.113 1384 HG21 THR 77 HG21 THR 77 9.977 2.782 1.062 1385 HG22 THR 77 HG22 THR 77 11.659 2.939 1.617 1386 HG23 THR 77 HG23 THR 77 10.429 2.233 2.692 1387 H MET 78 H MET 78 12.760 6.351 2.577 1388 HA MET 78 HA MET 78 15.064 4.793 2.067 1389 HB2 MET 78 HB1 MET 78 14.613 6.883 0.962 1390 HB3 MET 78 HB2 MET 78 14.641 7.760 2.511 1391 HG2 MET 78 HG1 MET 78 16.973 7.548 2.715 1392 HG3 MET 78 HG2 MET 78 17.058 6.294 1.467 1393 HE1 MET 78 HE1 MET 78 15.945 10.692 0.407 1394 HE2 MET 78 HE2 MET 78 14.807 9.494 1.062 1395 HE3 MET 78 HE3 MET 78 16.122 10.124 2.082 1396 H LEU 79 H LEU 79 14.191 6.723 4.990 1397 HA LEU 79 HA LEU 79 16.633 6.299 6.387 1398 HB2 LEU 79 HB1 LEU 79 14.406 7.763 6.826 1399 HB3 LEU 79 HB2 LEU 79 14.089 6.403 7.929 1400 HG LEU 79 HG LEU 79 15.103 8.037 9.242 1401 HD11 LEU 79 HD11 LEU 79 17.284 7.154 9.959 1402 HD12 LEU 79 HD12 LEU 79 16.109 5.856 9.663 1403 HD13 LEU 79 HD13 LEU 79 17.379 6.199 8.464 1404 HD21 LEU 79 HD21 LEU 79 17.146 9.284 8.639 1405 HD22 LEU 79 HD22 LEU 79 17.221 8.406 7.095 1406 HD23 LEU 79 HD23 LEU 79 15.862 9.505 7.432 1407 H CYS 80 H CYS 80 13.570 4.412 6.375 1408 HA CYS 80 HA CYS 80 14.395 2.336 8.128 1409 HB2 CYS 80 HB1 CYS 80 12.059 2.926 7.474 1410 HB3 CYS 80 HB2 CYS 80 12.375 2.264 5.851 1411 HG CYS 80 HG CYS 80 10.952 0.561 7.244 1412 H MET 81 H MET 81 14.796 2.613 4.543 1413 HA MET 81 HA MET 81 16.038 0.016 4.298 1414 HB2 MET 81 HB1 MET 81 16.004 2.473 2.510 1415 HB3 MET 81 HB2 MET 81 16.696 0.901 2.043 1416 HG2 MET 81 HG1 MET 81 14.474 -0.155 2.391 1417 HG3 MET 81 HG2 MET 81 13.795 1.429 2.801 1418 HE1 MET 81 HE1 MET 81 14.917 -0.314 -1.221 1419 HE2 MET 81 HE2 MET 81 16.051 -0.306 0.159 1420 HE3 MET 81 HE3 MET 81 14.490 -1.153 0.298 1421 H ALA 82 H ALA 82 17.230 3.191 5.205 1422 HA ALA 82 HA ALA 82 20.006 2.617 4.645 1423 HB1 ALA 82 HB1 ALA 82 20.394 4.796 5.733 1424 HB2 ALA 82 HB2 ALA 82 19.083 4.887 4.534 1425 HB3 ALA 82 HB3 ALA 82 18.699 4.827 6.271 1426 H TYR 83 H TYR 83 17.942 1.762 7.301 1427 HA TYR 83 HA TYR 83 20.079 0.120 8.276 1428 HB2 TYR 83 HB1 TYR 83 20.542 0.932 10.353 1429 HB3 TYR 83 HB2 TYR 83 20.379 2.430 9.421 1430 HD1 TYR 83 HD2 TYR 83 18.338 3.910 9.765 1431 HD2 TYR 83 HD1 TYR 83 19.159 0.428 12.168 1432 HE1 TYR 83 HE2 TYR 83 16.515 4.547 11.329 1433 HE2 TYR 83 HE1 TYR 83 17.399 1.109 13.780 1434 HH TYR 83 HH TYR 83 15.238 3.927 13.081 1435 H ASN 84 H ASN 84 19.041 -1.785 8.220 1436 HA ASN 84 HA ASN 84 17.016 -2.284 10.215 1437 HB2 ASN 84 HB1 ASN 84 15.646 -1.343 8.344 1438 HB3 ASN 84 HB2 ASN 84 16.204 -2.674 7.309 1439 HD21 ASN 84 HD21 ASN 84 14.000 -1.728 9.829 1440 HD22 ASN 84 HD22 ASN 84 13.228 -3.291 10.042 1441 H ASP 85 H ASP 85 17.237 -4.271 11.010 1442 HA ASP 85 HA ASP 85 18.824 -6.281 9.507 1443 HB2 ASP 85 HB1 ASP 85 18.201 -6.001 12.474 1444 HB3 ASP 85 HB2 ASP 85 19.229 -7.257 11.752 1445 H PHE 86 H PHE 86 15.624 -5.691 9.883 1446 HA PHE 86 HA PHE 86 14.733 -8.337 10.855 1447 HB2 PHE 86 HB1 PHE 86 13.974 -6.199 11.914 1448 HB3 PHE 86 HB2 PHE 86 13.214 -5.744 10.379 1449 HD1 PHE 86 HD1 PHE 86 11.175 -6.916 9.580 1450 HD2 PHE 86 HD2 PHE 86 12.985 -7.863 13.372 1451 HE1 PHE 86 HE1 PHE 86 9.082 -8.050 10.298 1452 HE2 PHE 86 HE2 PHE 86 10.887 -8.981 14.095 1453 HZ PHE 86 HZ PHE 86 8.928 -9.057 12.564 1454 H PHE 87 H PHE 87 14.256 -6.148 8.000 1455 HA PHE 87 HA PHE 87 13.092 -8.456 6.567 1456 HB2 PHE 87 HB1 PHE 87 12.267 -7.000 4.927 1457 HB3 PHE 87 HB2 PHE 87 11.879 -6.318 6.516 1458 HD1 PHE 87 HD1 PHE 87 13.848 -5.876 3.422 1459 HD2 PHE 87 HD2 PHE 87 12.661 -4.134 7.170 1460 HE1 PHE 87 HE1 PHE 87 14.751 -3.687 2.683 1461 HE2 PHE 87 HE2 PHE 87 13.553 -1.936 6.429 1462 HZ PHE 87 HZ PHE 87 14.634 -1.718 4.201 1463 H LEU 88 H LEU 88 15.973 -8.043 7.344 1464 HA LEU 88 HA LEU 88 17.769 -7.601 5.360 1465 HB2 LEU 88 HB1 LEU 88 19.257 -8.944 6.632 1466 HB3 LEU 88 HB2 LEU 88 18.156 -8.076 7.730 1467 HG LEU 88 HG LEU 88 18.464 -10.082 8.748 1468 HD11 LEU 88 HD11 LEU 88 16.420 -11.457 8.694 1469 HD12 LEU 88 HD12 LEU 88 16.062 -9.723 8.655 1470 HD13 LEU 88 HD13 LEU 88 15.964 -10.691 7.164 1471 HD21 LEU 88 HD21 LEU 88 18.489 -12.323 7.718 1472 HD22 LEU 88 HD22 LEU 88 18.153 -11.586 6.140 1473 HD23 LEU 88 HD23 LEU 88 19.682 -11.237 6.980 1474 H GLU 89 H GLU 89 19.073 -8.813 3.955 1475 HA GLU 89 HA GLU 89 17.534 -10.492 2.198 1476 HB2 GLU 89 HB1 GLU 89 20.529 -10.153 2.039 1477 HB3 GLU 89 HB2 GLU 89 19.366 -10.454 0.725 1478 HG2 GLU 89 HG1 GLU 89 19.722 -8.249 0.313 1479 HG3 GLU 89 HG2 GLU 89 18.475 -8.045 1.562 1480 H ASP 90 H ASP 90 20.364 -11.052 4.190 1481 HA ASP 90 HA ASP 90 20.102 -13.042 5.741 1482 HB2 ASP 90 HB1 ASP 90 20.186 -14.289 3.045 1483 HB3 ASP 90 HB2 ASP 90 21.104 -15.065 4.355 1484 H ASN 91 H ASN 91 22.078 -11.753 3.171 1485 HA ASN 91 HA ASN 91 24.629 -12.725 4.116 1486 HB2 ASN 91 HB1 ASN 91 25.425 -11.285 2.179 1487 HB3 ASN 91 HB2 ASN 91 24.286 -12.590 1.781 1488 HD21 ASN 91 HD21 ASN 91 24.139 -9.099 2.751 1489 HD22 ASN 91 HD22 ASN 91 22.879 -8.680 1.605 1490 H LYS 92 H LYS 92 23.852 -11.447 6.386 1491 HA LYS 92 HA LYS 92 25.541 -9.073 6.550 1492 HB2 LYS 92 HB1 LYS 92 23.731 -7.593 7.363 1493 HB3 LYS 92 HB2 LYS 92 23.595 -8.059 5.650 1494 HG2 LYS 92 HG1 LYS 92 21.406 -8.074 6.521 1495 HG3 LYS 92 HG2 LYS 92 21.896 -9.777 6.358 1496 HD2 LYS 92 HD1 LYS 92 20.667 -9.571 8.393 1497 HD3 LYS 92 HD2 LYS 92 22.380 -9.787 8.828 1498 HE2 LYS 92 HE1 LYS 92 21.727 -6.968 8.524 1499 HE3 LYS 92 HE2 LYS 92 20.642 -7.749 9.695 1500 HZ1 LYS 92 HZ1 LYS 92 22.606 -6.891 10.741 1501 HZ2 LYS 92 HZ2 LYS 92 22.569 -8.534 10.862 1502 HZ3 LYS 92 HZ3 LYS 92 23.577 -7.809 9.777
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