NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
275402 | 2kaj | 16024 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 3.001 -0.562 -1.074 3 HB1 ALA 1 1HB ALA 1 1.646 -0.338 -3.306 4 HB2 ALA 1 2HB ALA 1 1.461 -1.761 -2.280 5 HB3 ALA 1 3HB ALA 1 0.256 -0.475 -2.229 6 H SER 2 H SER 2 3.764 1.561 -0.154 7 HA SER 2 HA SER 2 2.946 4.040 -1.138 8 HB2 SER 2 2HB SER 2 4.409 3.907 0.780 9 HB3 SER 2 3HB SER 2 5.669 3.130 -0.179 10 HG SER 2 HG SER 2 4.702 5.642 -0.967 11 H TYR 3 H TYR 3 3.672 5.353 -2.811 12 HA TYR 3 HA TYR 3 5.219 3.987 -4.915 13 HB2 TYR 3 2HB TYR 3 2.709 5.618 -5.099 14 HB3 TYR 3 3HB TYR 3 3.819 5.560 -6.464 15 HD1 TYR 3 HD2 TYR 3 4.261 3.404 -7.605 16 HD2 TYR 3 HD1 TYR 3 1.315 3.757 -4.556 17 HE1 TYR 3 HE2 TYR 3 3.257 1.281 -8.337 18 HE2 TYR 3 HE1 TYR 3 0.303 1.635 -5.279 19 HH TYR 3 HH TYR 3 1.378 -0.549 -6.630 20 H THR 4 H THR 4 6.486 5.347 -6.294 21 HA THR 4 HA THR 4 7.941 7.320 -4.917 22 HB THR 4 HB THR 4 9.054 6.145 -6.665 23 HG1 THR 4 HG1 THR 4 10.075 7.944 -7.072 24 HG21 THR 4 3HG2 THR 4 7.950 5.476 -8.479 25 HG22 THR 4 1HG2 THR 4 7.918 7.142 -9.054 26 HG23 THR 4 2HG2 THR 4 6.592 6.523 -8.070 27 H VAL 5 H VAL 5 7.119 9.220 -4.321 28 HA VAL 5 HA VAL 5 5.325 10.638 -6.170 29 HB VAL 5 HB VAL 5 5.771 11.065 -3.212 30 HG11 VAL 5 1HG1 VAL 5 3.524 12.418 -3.731 31 HG12 VAL 5 2HG1 VAL 5 5.124 13.161 -3.789 32 HG13 VAL 5 3HG1 VAL 5 4.344 12.629 -5.279 33 HG21 VAL 5 3HG2 VAL 5 3.736 9.586 -4.806 34 HG22 VAL 5 1HG2 VAL 5 4.487 9.168 -3.266 35 HG23 VAL 5 2HG2 VAL 5 3.226 10.399 -3.327 36 H LYS 6 H LYS 6 6.501 11.902 -7.480 37 HA LYS 6 HA LYS 6 8.927 13.180 -6.625 38 HB2 LYS 6 2HB LYS 6 7.999 12.397 -9.045 39 HB3 LYS 6 3HB LYS 6 7.606 14.110 -9.103 40 HG2 LYS 6 2HG LYS 6 9.787 14.755 -9.145 41 HG3 LYS 6 3HG LYS 6 10.336 13.351 -8.227 42 HD2 LYS 6 2HD LYS 6 10.977 12.415 -10.140 43 HD3 LYS 6 3HD LYS 6 9.284 12.352 -10.634 44 HE2 LYS 6 2HE LYS 6 9.436 14.397 -11.786 45 HE3 LYS 6 3HE LYS 6 10.957 14.820 -11.001 46 HZ1 LYS 6 3HZ LYS 6 11.210 14.081 -13.329 47 HZ2 LYS 6 1HZ LYS 6 10.633 12.553 -12.888 48 HZ3 LYS 6 2HZ LYS 6 12.082 13.130 -12.235 49 H LEU 7 H LEU 7 9.032 15.006 -5.511 50 HA LEU 7 HA LEU 7 6.758 16.869 -5.634 51 HB2 LEU 7 2HB LEU 7 8.745 16.205 -3.499 52 HB3 LEU 7 3HB LEU 7 7.925 17.765 -3.492 53 HG LEU 7 HG LEU 7 6.586 15.064 -3.341 54 HD11 LEU 7 1HD1 LEU 7 7.184 17.165 -1.274 55 HD12 LEU 7 2HD1 LEU 7 7.665 15.468 -1.276 56 HD13 LEU 7 3HD1 LEU 7 5.971 15.904 -1.047 57 HD21 LEU 7 3HD2 LEU 7 4.839 17.085 -2.543 58 HD22 LEU 7 1HD2 LEU 7 4.761 16.132 -4.024 59 HD23 LEU 7 2HD2 LEU 7 5.595 17.686 -4.020 60 H ILE 8 H ILE 8 7.374 18.064 -7.422 61 HA ILE 8 HA ILE 8 9.981 19.112 -7.804 62 HB ILE 8 HB ILE 8 7.434 20.247 -8.950 63 HG12 ILE 8 2HG1 ILE 8 7.449 17.845 -9.352 64 HG13 ILE 8 3HG1 ILE 8 7.794 18.703 -10.850 65 HG21 ILE 8 1HG2 ILE 8 9.156 20.572 -10.898 66 HG22 ILE 8 2HG2 ILE 8 9.091 21.714 -9.556 67 HG23 ILE 8 3HG2 ILE 8 10.335 20.464 -9.591 68 HD11 ILE 8 3HD1 ILE 8 10.255 18.300 -10.289 69 HD12 ILE 8 1HD1 ILE 8 9.655 17.121 -9.124 70 HD13 ILE 8 2HD1 ILE 8 9.293 16.929 -10.839 71 H THR 9 H THR 9 10.924 20.908 -7.055 72 HA THR 9 HA THR 9 9.289 23.031 -5.887 73 HB THR 9 HB THR 9 10.422 23.107 -3.818 74 HG1 THR 9 HG1 THR 9 12.152 21.337 -3.551 75 HG21 THR 9 3HG2 THR 9 10.216 20.139 -4.177 76 HG22 THR 9 1HG2 THR 9 8.774 21.151 -4.256 77 HG23 THR 9 2HG2 THR 9 9.757 21.128 -2.791 78 HA PRO 10 HA PRO 10 12.199 25.704 -7.803 79 HB2 PRO 10 2HB PRO 10 12.089 27.854 -6.149 80 HB3 PRO 10 3HB PRO 10 10.783 27.431 -7.262 81 HG2 PRO 10 2HG PRO 10 11.024 26.883 -4.329 82 HG3 PRO 10 3HG PRO 10 9.615 27.438 -5.251 83 HD2 PRO 10 2HD PRO 10 9.935 24.859 -4.493 84 HD3 PRO 10 3HD PRO 10 9.108 25.317 -5.995 85 H ASP 11 H ASP 11 12.730 24.383 -4.735 86 HA ASP 11 HA ASP 11 15.443 25.517 -4.597 87 HB2 ASP 11 2HB ASP 11 13.633 25.547 -2.624 88 HB3 ASP 11 3HB ASP 11 14.337 23.962 -2.316 89 H GLY 12 H GLY 12 14.283 23.158 -6.178 90 HA2 GLY 12 2HA GLY 12 16.141 21.537 -6.809 91 HA3 GLY 12 3HA GLY 12 16.072 21.065 -5.118 92 H GLU 13 H GLU 13 15.752 18.968 -6.452 93 HA GLU 13 HA GLU 13 12.850 18.535 -6.708 94 HB2 GLU 13 2HB GLU 13 15.083 17.631 -8.494 95 HB3 GLU 13 3HB GLU 13 13.607 16.683 -8.380 96 HG2 GLU 13 2HG GLU 13 12.292 18.453 -9.227 97 HG3 GLU 13 3HG GLU 13 13.611 19.609 -9.051 98 H SER 14 H SER 14 12.165 17.233 -5.155 99 HA SER 14 HA SER 14 13.998 15.167 -4.130 100 HB2 SER 14 2HB SER 14 12.164 17.032 -2.815 101 HB3 SER 14 3HB SER 14 11.958 15.365 -2.277 102 HG SER 14 HG SER 14 13.899 15.389 -1.404 103 H SER 15 H SER 15 12.774 13.242 -3.169 104 HA SER 15 HA SER 15 10.345 12.571 -4.641 105 HB2 SER 15 2HB SER 15 11.452 10.289 -5.171 106 HB3 SER 15 3HB SER 15 11.867 11.671 -6.184 107 HG SER 15 HG SER 15 13.618 10.242 -5.222 108 H ILE 16 H ILE 16 9.084 12.279 -2.890 109 HA ILE 16 HA ILE 16 10.070 10.573 -0.713 110 HB ILE 16 HB ILE 16 8.138 11.409 0.578 111 HG12 ILE 16 2HG1 ILE 16 7.672 13.485 -1.533 112 HG13 ILE 16 3HG1 ILE 16 6.876 11.921 -1.667 113 HG21 ILE 16 1HG2 ILE 16 10.018 13.436 -0.609 114 HG22 ILE 16 2HG2 ILE 16 8.943 13.794 0.741 115 HG23 ILE 16 3HG2 ILE 16 10.185 12.553 0.908 116 HD11 ILE 16 3HD1 ILE 16 5.469 12.343 0.040 117 HD12 ILE 16 1HD1 ILE 16 6.664 13.276 0.942 118 HD13 ILE 16 2HD1 ILE 16 5.804 14.015 -0.409 119 H GLU 17 H GLU 17 8.655 8.945 0.180 120 HA GLU 17 HA GLU 17 7.010 7.690 -1.900 121 HB2 GLU 17 2HB GLU 17 8.937 6.688 -0.054 122 HB3 GLU 17 3HB GLU 17 7.382 5.965 0.336 123 HG2 GLU 17 2HG GLU 17 7.775 4.489 -1.263 124 HG3 GLU 17 3HG GLU 17 7.539 5.794 -2.425 125 H CYS 18 H CYS 18 4.895 7.979 -1.741 126 HA CYS 18 HA CYS 18 3.708 8.262 0.940 127 HB2 CYS 18 2HB CYS 18 3.531 10.271 -0.528 128 HB3 CYS 18 3HB CYS 18 2.610 9.307 -1.677 129 HG CYS 18 HG CYS 18 0.360 9.087 -0.237 130 H SER 19 H SER 19 1.765 7.195 1.394 131 HA SER 19 HA SER 19 1.344 4.797 -0.219 132 HB2 SER 19 2HB SER 19 1.384 5.276 2.540 133 HB3 SER 19 3HB SER 19 -0.309 4.969 2.156 134 HG SER 19 HG SER 19 0.452 2.975 2.401 135 H ASP 20 H ASP 20 -0.953 4.029 -0.439 136 HA ASP 20 HA ASP 20 -2.473 6.012 -1.799 137 HB2 ASP 20 2HB ASP 20 -2.562 3.754 -2.605 138 HB3 ASP 20 3HB ASP 20 -3.092 3.156 -1.036 139 H ASP 21 H ASP 21 -2.521 4.694 1.416 140 HA ASP 21 HA ASP 21 -5.023 6.122 1.999 141 HB2 ASP 21 2HB ASP 21 -3.607 3.844 3.366 142 HB3 ASP 21 3HB ASP 21 -4.845 4.784 4.196 143 H THR 22 H THR 22 -2.694 7.634 1.636 144 HA THR 22 HA THR 22 -2.501 8.875 4.262 145 HB THR 22 HB THR 22 0.094 8.562 2.834 146 HG1 THR 22 HG1 THR 22 0.286 6.587 4.296 147 HG21 THR 22 3HG2 THR 22 0.271 9.912 4.720 148 HG22 THR 22 1HG2 THR 22 0.773 8.336 5.329 149 HG23 THR 22 2HG2 THR 22 -0.856 8.929 5.653 150 H TYR 23 H TYR 23 -1.314 10.999 4.123 151 HA TYR 23 HA TYR 23 -2.111 12.340 1.646 152 HB2 TYR 23 2HB TYR 23 -1.218 13.672 4.199 153 HB3 TYR 23 3HB TYR 23 -2.158 14.367 2.883 154 HD1 TYR 23 HD2 TYR 23 -4.492 13.300 2.455 155 HD2 TYR 23 HD1 TYR 23 -2.306 12.845 6.078 156 HE1 TYR 23 HE2 TYR 23 -6.573 12.722 3.631 157 HE2 TYR 23 HE1 TYR 23 -4.381 12.264 7.264 158 HH TYR 23 HH TYR 23 -7.023 12.861 6.750 159 H ILE 24 H ILE 24 -0.704 13.368 0.325 160 HA ILE 24 HA ILE 24 1.984 12.625 0.268 161 HB ILE 24 HB ILE 24 0.684 15.022 -1.031 162 HG12 ILE 24 2HG1 ILE 24 1.351 12.359 -2.282 163 HG13 ILE 24 3HG1 ILE 24 -0.215 12.689 -1.549 164 HG21 ILE 24 1HG2 ILE 24 3.314 13.672 -1.625 165 HG22 ILE 24 2HG2 ILE 24 2.578 14.948 -2.593 166 HG23 ILE 24 3HG2 ILE 24 3.096 15.282 -0.941 167 HD11 ILE 24 3HD1 ILE 24 0.285 13.040 -4.139 168 HD12 ILE 24 1HD1 ILE 24 -0.876 14.021 -3.245 169 HD13 ILE 24 2HD1 ILE 24 0.750 14.635 -3.547 170 H LEU 25 H LEU 25 0.401 15.368 1.758 171 HA LEU 25 HA LEU 25 2.683 16.952 2.226 172 HB2 LEU 25 2HB LEU 25 0.239 17.609 2.424 173 HB3 LEU 25 3HB LEU 25 0.262 16.827 4.004 174 HG LEU 25 HG LEU 25 2.166 18.433 4.576 175 HD11 LEU 25 1HD1 LEU 25 2.528 20.326 3.289 176 HD12 LEU 25 2HD1 LEU 25 1.024 20.127 2.390 177 HD13 LEU 25 3HD1 LEU 25 2.386 19.050 2.079 178 HD21 LEU 25 3HD2 LEU 25 0.449 19.197 5.770 179 HD22 LEU 25 1HD2 LEU 25 -0.704 18.819 4.489 180 HD23 LEU 25 2HD2 LEU 25 0.170 20.351 4.464 181 H ASP 26 H ASP 26 0.934 14.769 4.440 182 HA ASP 26 HA ASP 26 2.623 14.939 6.616 183 HB2 ASP 26 2HB ASP 26 0.376 13.565 6.135 184 HB3 ASP 26 3HB ASP 26 1.534 12.249 5.968 185 H ALA 27 H ALA 27 2.862 12.777 3.816 186 HA ALA 27 HA ALA 27 5.142 11.366 4.714 187 HB1 ALA 27 1HB ALA 27 3.403 11.128 2.605 188 HB2 ALA 27 2HB ALA 27 4.909 11.601 1.818 189 HB3 ALA 27 3HB ALA 27 4.864 10.170 2.848 190 H ALA 28 H ALA 28 4.723 14.452 3.199 191 HA ALA 28 HA ALA 28 7.457 14.686 2.315 192 HB1 ALA 28 1HB ALA 28 6.260 17.237 2.442 193 HB2 ALA 28 2HB ALA 28 6.539 16.234 1.019 194 HB3 ALA 28 3HB ALA 28 5.017 16.109 1.901 195 H GLU 29 H GLU 29 5.504 16.441 4.737 196 HA GLU 29 HA GLU 29 7.617 17.823 5.920 197 HB2 GLU 29 2HB GLU 29 6.077 17.938 7.937 198 HB3 GLU 29 3HB GLU 29 5.426 18.551 6.423 199 HG2 GLU 29 2HG GLU 29 3.838 16.970 6.308 200 HG3 GLU 29 3HG GLU 29 4.889 15.714 6.960 201 H GLU 30 H GLU 30 6.400 14.581 6.482 202 HA GLU 30 HA GLU 30 7.716 14.036 8.896 203 HB2 GLU 30 2HB GLU 30 5.987 12.563 8.101 204 HB3 GLU 30 3HB GLU 30 6.896 12.206 6.639 205 HG2 GLU 30 2HG GLU 30 8.446 10.890 7.779 206 HG3 GLU 30 3HG GLU 30 7.988 11.550 9.348 207 H ALA 31 H ALA 31 8.823 13.972 5.575 208 HA ALA 31 HA ALA 31 11.371 12.776 6.313 209 HB1 ALA 31 1HB ALA 31 11.347 13.757 3.628 210 HB2 ALA 31 2HB ALA 31 11.393 12.090 4.204 211 HB3 ALA 31 3HB ALA 31 9.843 12.893 3.950 212 H GLY 32 H GLY 32 9.992 15.901 5.759 213 HA2 GLY 32 2HA GLY 32 11.138 17.826 6.673 214 HA3 GLY 32 3HA GLY 32 12.657 17.091 6.182 215 H LEU 33 H LEU 33 9.924 17.031 4.043 216 HA LEU 33 HA LEU 33 11.352 18.295 1.956 217 HB2 LEU 33 2HB LEU 33 8.726 17.103 2.349 218 HB3 LEU 33 3HB LEU 33 8.689 18.487 1.258 219 HG LEU 33 HG LEU 33 8.930 16.259 0.145 220 HD11 LEU 33 1HD1 LEU 33 11.416 17.646 -0.566 221 HD12 LEU 33 2HD1 LEU 33 9.979 18.667 -0.521 222 HD13 LEU 33 3HD1 LEU 33 10.014 17.240 -1.556 223 HD21 LEU 33 3HD2 LEU 33 11.719 16.336 1.287 224 HD22 LEU 33 1HD2 LEU 33 11.030 15.105 0.229 225 HD23 LEU 33 2HD2 LEU 33 10.429 15.287 1.877 226 H ASP 34 H ASP 34 9.124 19.462 4.380 227 HA ASP 34 HA ASP 34 8.397 21.545 4.940 228 HB2 ASP 34 2HB ASP 34 10.848 21.903 5.136 229 HB3 ASP 34 3HB ASP 34 10.876 22.452 3.463 230 H LEU 35 H LEU 35 6.759 20.867 3.170 231 HA LEU 35 HA LEU 35 6.878 22.491 0.769 232 HB2 LEU 35 2HB LEU 35 5.352 20.191 1.712 233 HB3 LEU 35 3HB LEU 35 4.370 21.369 0.844 234 HG LEU 35 HG LEU 35 5.686 21.120 -1.132 235 HD11 LEU 35 1HD1 LEU 35 7.476 19.058 -0.669 236 HD12 LEU 35 2HD1 LEU 35 7.664 20.117 0.728 237 HD13 LEU 35 3HD1 LEU 35 7.868 20.762 -0.901 238 HD21 LEU 35 3HD2 LEU 35 5.576 18.537 -1.381 239 HD22 LEU 35 1HD2 LEU 35 4.087 19.452 -1.145 240 HD23 LEU 35 2HD2 LEU 35 4.819 18.593 0.211 241 HA PRO 36 HA PRO 36 4.395 25.853 2.105 242 HB2 PRO 36 2HB PRO 36 2.823 26.319 -0.059 243 HB3 PRO 36 3HB PRO 36 4.550 26.694 -0.028 244 HG2 PRO 36 2HG PRO 36 3.148 24.326 -1.204 245 HG3 PRO 36 3HG PRO 36 4.474 25.290 -1.879 246 HD2 PRO 36 2HD PRO 36 4.876 22.892 -0.688 247 HD3 PRO 36 3HD PRO 36 6.071 24.202 -0.623 248 H TYR 37 H TYR 37 3.229 24.762 3.773 249 HA TYR 37 HA TYR 37 0.418 24.287 3.067 250 HB2 TYR 37 2HB TYR 37 0.286 22.346 4.470 251 HB3 TYR 37 3HB TYR 37 1.638 22.114 3.368 252 HD1 TYR 37 HD2 TYR 37 0.744 22.995 6.850 253 HD2 TYR 37 HD1 TYR 37 3.839 21.803 4.185 254 HE1 TYR 37 HE2 TYR 37 2.225 22.574 8.768 255 HE2 TYR 37 HE1 TYR 37 5.328 21.377 6.095 256 HH TYR 37 HH TYR 37 5.110 22.535 8.891 257 H SER 38 H SER 38 -1.083 24.643 4.788 258 HA SER 38 HA SER 38 -0.010 26.140 7.080 259 HB2 SER 38 2HB SER 38 -0.753 27.946 5.835 260 HB3 SER 38 3HB SER 38 -2.048 27.022 5.074 261 HG SER 38 HG SER 38 -3.250 27.962 6.519 262 H CYS 39 H CYS 39 -3.078 24.889 5.752 263 HA CYS 39 HA CYS 39 -4.095 24.333 8.390 264 HB2 CYS 39 2HB CYS 39 -6.102 23.619 7.287 265 HB3 CYS 39 3HB CYS 39 -5.530 25.068 6.466 266 H ARG 40 H ARG 40 -2.551 22.560 5.813 267 HA ARG 40 HA ARG 40 -2.107 20.319 5.534 268 HB2 ARG 40 2HB ARG 40 -0.754 19.420 7.352 269 HB3 ARG 40 3HB ARG 40 -0.348 21.106 7.059 270 HG2 ARG 40 2HG ARG 40 -1.375 21.822 9.023 271 HG3 ARG 40 3HG ARG 40 -2.308 20.333 9.185 272 HD2 ARG 40 2HD ARG 40 0.375 19.543 9.170 273 HD3 ARG 40 3HD ARG 40 0.312 20.977 10.194 274 HE ARG 40 HE ARG 40 -1.762 19.482 11.083 275 HH11 ARG 40 1HH1 ARG 40 1.617 18.829 10.559 276 HH12 ARG 40 2HH1 ARG 40 1.719 17.649 11.824 277 HH21 ARG 40 1HH2 ARG 40 -1.641 17.931 12.751 278 HH22 ARG 40 2HH2 ARG 40 -0.135 17.139 13.069 279 H ALA 41 H ALA 41 -4.824 20.641 5.977 280 HA ALA 41 HA ALA 41 -5.441 18.118 7.328 281 HB1 ALA 41 1HB ALA 41 -6.180 19.326 9.086 282 HB2 ALA 41 2HB ALA 41 -6.401 20.791 8.128 283 HB3 ALA 41 3HB ALA 41 -7.613 19.510 8.073 284 H GLY 42 H GLY 42 -6.514 20.733 5.204 285 HA2 GLY 42 2HA GLY 42 -7.270 19.854 2.970 286 HA3 GLY 42 3HA GLY 42 -8.340 18.813 3.897 287 H ALA 43 H ALA 43 -7.547 22.258 3.471 288 HA ALA 43 HA ALA 43 -10.209 22.987 2.877 289 HB1 ALA 43 1HB ALA 43 -10.626 24.350 4.951 290 HB2 ALA 43 2HB ALA 43 -10.738 22.602 5.158 291 HB3 ALA 43 3HB ALA 43 -9.301 23.465 5.707 292 H CYS 44 H CYS 44 -7.697 23.481 1.753 293 HA CYS 44 HA CYS 44 -7.772 26.358 1.607 294 HB2 CYS 44 2HB CYS 44 -5.618 26.854 2.374 295 HB3 CYS 44 3HB CYS 44 -6.211 25.696 3.560 296 H SER 45 H SER 45 -5.533 26.917 0.224 297 HA SER 45 HA SER 45 -5.502 25.011 -2.018 298 HB2 SER 45 2HB SER 45 -6.543 26.534 -3.294 299 HB3 SER 45 3HB SER 45 -6.461 27.740 -2.010 300 HG SER 45 HG SER 45 -4.482 28.388 -2.751 301 H THR 46 H THR 46 -3.748 26.551 0.293 302 HA THR 46 HA THR 46 -1.411 27.302 -1.146 303 HB THR 46 HB THR 46 -2.212 27.858 1.334 304 HG1 THR 46 HG1 THR 46 0.346 27.759 0.167 305 HG21 THR 46 3HG2 THR 46 -1.795 25.381 1.916 306 HG22 THR 46 1HG2 THR 46 -1.184 26.611 3.022 307 HG23 THR 46 2HG2 THR 46 -0.086 25.815 1.895 308 H CYS 47 H CYS 47 -2.620 24.308 0.114 309 HA CYS 47 HA CYS 47 -0.046 22.975 -0.093 310 HB2 CYS 47 2HB CYS 47 -2.748 21.754 0.495 311 HB3 CYS 47 3HB CYS 47 -1.169 21.029 0.783 312 H ALA 48 H ALA 48 -2.560 23.779 -2.153 313 HA ALA 48 HA ALA 48 -2.839 21.524 -3.780 314 HB1 ALA 48 1HB ALA 48 -2.885 24.189 -5.075 315 HB2 ALA 48 2HB ALA 48 -4.039 22.858 -5.173 316 HB3 ALA 48 3HB ALA 48 -4.021 23.907 -3.755 317 H GLY 49 H GLY 49 -1.714 20.713 -5.492 318 HA2 GLY 49 2HA GLY 49 0.719 22.149 -6.328 319 HA3 GLY 49 3HA GLY 49 0.818 20.463 -5.841 320 H LYS 50 H LYS 50 0.901 22.303 -8.457 321 HA LYS 50 HA LYS 50 -0.973 21.288 -10.253 322 HB2 LYS 50 2HB LYS 50 1.026 23.115 -10.411 323 HB3 LYS 50 3HB LYS 50 1.730 21.795 -11.334 324 HG2 LYS 50 2HG LYS 50 0.141 21.920 -12.989 325 HG3 LYS 50 3HG LYS 50 -1.057 22.667 -11.929 326 HD2 LYS 50 2HD LYS 50 -0.486 24.561 -13.001 327 HD3 LYS 50 3HD LYS 50 0.905 24.546 -11.914 328 HE2 LYS 50 2HE LYS 50 2.341 23.776 -13.548 329 HE3 LYS 50 3HE LYS 50 1.041 23.056 -14.497 330 HZ1 LYS 50 3HZ LYS 50 2.196 25.620 -14.740 331 HZ2 LYS 50 1HZ LYS 50 0.545 25.781 -14.405 332 HZ3 LYS 50 2HZ LYS 50 1.052 24.872 -15.739 333 H ILE 51 H ILE 51 -1.337 19.224 -10.713 334 HA ILE 51 HA ILE 51 0.962 17.392 -10.893 335 HB ILE 51 HB ILE 51 -1.289 17.103 -9.351 336 HG12 ILE 51 2HG1 ILE 51 0.774 15.888 -9.012 337 HG13 ILE 51 3HG1 ILE 51 -0.549 14.733 -9.126 338 HG21 ILE 51 1HG2 ILE 51 -2.629 16.762 -11.409 339 HG22 ILE 51 2HG2 ILE 51 -1.656 15.336 -11.764 340 HG23 ILE 51 3HG2 ILE 51 -2.662 15.379 -10.316 341 HD11 ILE 51 3HD1 ILE 51 0.133 14.621 -11.632 342 HD12 ILE 51 1HD1 ILE 51 1.662 15.275 -11.045 343 HD13 ILE 51 2HD1 ILE 51 1.061 13.739 -10.419 344 H THR 52 H THR 52 1.286 16.202 -12.708 345 HA THR 52 HA THR 52 -0.693 15.833 -14.728 346 HB THR 52 HB THR 52 -0.157 18.182 -15.204 347 HG1 THR 52 HG1 THR 52 -0.650 17.142 -17.053 348 HG21 THR 52 3HG2 THR 52 2.526 17.679 -16.234 349 HG22 THR 52 1HG2 THR 52 2.415 17.513 -14.483 350 HG23 THR 52 2HG2 THR 52 1.922 19.018 -15.259 351 H ALA 53 H ALA 53 1.063 14.171 -13.243 352 HA ALA 53 HA ALA 53 2.270 12.719 -15.422 353 HB1 ALA 53 1HB ALA 53 4.451 13.054 -15.031 354 HB2 ALA 53 2HB ALA 53 3.913 14.524 -14.217 355 HB3 ALA 53 3HB ALA 53 4.237 13.065 -13.280 356 H GLY 54 H GLY 54 0.160 12.305 -13.458 357 HA2 GLY 54 2HA GLY 54 0.685 9.633 -12.767 358 HA3 GLY 54 3HA GLY 54 0.964 10.632 -11.348 359 H SER 55 H SER 55 -0.713 10.608 -10.024 360 HA SER 55 HA SER 55 -3.277 11.480 -10.714 361 HB2 SER 55 2HB SER 55 -4.352 9.107 -10.197 362 HB3 SER 55 3HB SER 55 -3.901 9.569 -11.838 363 HG SER 55 HG SER 55 -3.095 7.463 -10.597 364 H VAL 56 H VAL 56 -4.714 11.541 -8.922 365 HA VAL 56 HA VAL 56 -3.809 10.453 -6.385 366 HB VAL 56 HB VAL 56 -3.905 12.631 -5.231 367 HG11 VAL 56 1HG1 VAL 56 -1.892 12.882 -7.436 368 HG12 VAL 56 2HG1 VAL 56 -1.719 13.257 -5.721 369 HG13 VAL 56 3HG1 VAL 56 -1.786 11.577 -6.255 370 HG21 VAL 56 3HG2 VAL 56 -3.620 14.660 -6.814 371 HG22 VAL 56 1HG2 VAL 56 -4.385 13.620 -8.016 372 HG23 VAL 56 2HG2 VAL 56 -5.239 14.023 -6.526 373 H ASP 57 H ASP 57 -5.394 11.157 -4.595 374 HA ASP 57 HA ASP 57 -8.115 11.380 -5.696 375 HB2 ASP 57 2HB ASP 57 -6.988 9.135 -4.367 376 HB3 ASP 57 3HB ASP 57 -8.165 9.860 -3.275 377 H GLN 58 H GLN 58 -8.825 13.308 -5.054 378 HA GLN 58 HA GLN 58 -8.376 14.086 -2.248 379 HB2 GLN 58 2HB GLN 58 -8.715 16.472 -3.198 380 HB3 GLN 58 3HB GLN 58 -7.163 15.680 -3.431 381 HG2 GLN 58 2HG GLN 58 -7.450 15.458 -5.671 382 HG3 GLN 58 3HG GLN 58 -9.204 15.330 -5.547 383 HE21 GLN 58 1HE2 GLN 58 -6.560 17.371 -6.145 384 HE22 GLN 58 2HE2 GLN 58 -7.433 18.851 -6.315 385 H SER 59 H SER 59 -10.413 12.718 -2.097 386 HA SER 59 HA SER 59 -12.820 14.163 -2.919 387 HB2 SER 59 2HB SER 59 -12.199 11.446 -2.788 388 HB3 SER 59 3HB SER 59 -13.292 11.712 -1.430 389 HG SER 59 HG SER 59 -14.215 11.234 -3.618 390 H ASP 60 H ASP 60 -10.860 14.740 -0.594 391 HA ASP 60 HA ASP 60 -12.912 14.923 1.514 392 HB2 ASP 60 2HB ASP 60 -10.236 13.908 1.602 393 HB3 ASP 60 3HB ASP 60 -10.335 15.337 2.627 394 H GLN 61 H GLN 61 -10.693 16.622 -0.494 395 HA GLN 61 HA GLN 61 -10.219 18.959 0.891 396 HB2 GLN 61 2HB GLN 61 -10.079 20.058 -1.339 397 HB3 GLN 61 3HB GLN 61 -9.169 18.557 -1.236 398 HG2 GLN 61 2HG GLN 61 -10.211 18.445 -3.306 399 HG3 GLN 61 3HG GLN 61 -11.226 17.449 -2.265 400 HE21 GLN 61 1HE2 GLN 61 -10.943 20.908 -3.025 401 HE22 GLN 61 2HE2 GLN 61 -12.626 21.151 -3.332 402 H SER 62 H SER 62 -11.204 21.117 0.549 403 HA SER 62 HA SER 62 -14.050 21.118 -0.062 404 HB2 SER 62 2HB SER 62 -13.583 20.614 2.462 405 HB3 SER 62 3HB SER 62 -13.211 22.335 2.550 406 HG SER 62 HG SER 62 -15.648 21.107 1.796 407 H PHE 63 H PHE 63 -11.530 22.302 -1.114 408 HA PHE 63 HA PHE 63 -12.251 25.148 -0.868 409 HB2 PHE 63 2HB PHE 63 -10.003 24.658 -0.003 410 HB3 PHE 63 3HB PHE 63 -9.560 23.945 -1.551 411 HD1 PHE 63 HD2 PHE 63 -9.444 25.401 -3.577 412 HD2 PHE 63 HD1 PHE 63 -9.897 26.980 0.350 413 HE1 PHE 63 HE2 PHE 63 -8.707 27.606 -4.382 414 HE2 PHE 63 HE1 PHE 63 -9.162 29.188 -0.450 415 HZ PHE 63 HZ PHE 63 -8.564 29.503 -2.818 416 H LEU 64 H LEU 64 -10.640 22.943 -3.166 417 HA LEU 64 HA LEU 64 -11.157 24.503 -5.444 418 HB2 LEU 64 2HB LEU 64 -10.862 21.514 -5.456 419 HB3 LEU 64 3HB LEU 64 -10.417 22.659 -6.720 420 HG LEU 64 HG LEU 64 -9.030 22.344 -4.057 421 HD11 LEU 64 1HD1 LEU 64 -8.715 20.464 -5.655 422 HD12 LEU 64 2HD1 LEU 64 -7.233 21.345 -5.283 423 HD13 LEU 64 3HD1 LEU 64 -8.060 21.619 -6.816 424 HD21 LEU 64 3HD2 LEU 64 -7.599 23.767 -6.123 425 HD22 LEU 64 1HD2 LEU 64 -7.947 24.243 -4.461 426 HD23 LEU 64 2HD2 LEU 64 -9.125 24.562 -5.734 427 H ASP 65 H ASP 65 -12.496 23.725 -7.326 428 HA ASP 65 HA ASP 65 -15.071 22.636 -6.396 429 HB2 ASP 65 2HB ASP 65 -15.433 24.976 -6.709 430 HB3 ASP 65 3HB ASP 65 -14.567 24.970 -8.243 431 H ASP 66 H ASP 66 -13.541 23.525 -9.494 432 HA ASP 66 HA ASP 66 -13.506 20.800 -10.396 433 HB2 ASP 66 2HB ASP 66 -15.894 22.183 -10.791 434 HB3 ASP 66 3HB ASP 66 -15.065 22.294 -12.341 435 H ASP 67 H ASP 67 -13.309 24.223 -11.243 436 HA ASP 67 HA ASP 67 -11.718 23.839 -13.571 437 HB2 ASP 67 2HB ASP 67 -13.126 25.891 -12.942 438 HB3 ASP 67 3HB ASP 67 -11.773 26.354 -11.913 439 H GLN 68 H GLN 68 -11.009 24.382 -10.172 440 HA GLN 68 HA GLN 68 -8.256 24.920 -10.440 441 HB2 GLN 68 2HB GLN 68 -9.980 23.935 -8.191 442 HB3 GLN 68 3HB GLN 68 -8.232 23.998 -8.006 443 HG2 GLN 68 2HG GLN 68 -9.362 25.984 -7.110 444 HG3 GLN 68 3HG GLN 68 -8.225 26.368 -8.401 445 HE21 GLN 68 1HE2 GLN 68 -8.922 27.547 -10.050 446 HE22 GLN 68 2HE2 GLN 68 -10.574 27.922 -10.389 447 H ILE 69 H ILE 69 -9.926 21.893 -9.565 448 HA ILE 69 HA ILE 69 -7.650 20.269 -9.499 449 HB ILE 69 HB ILE 69 -10.451 19.426 -10.248 450 HG12 ILE 69 2HG1 ILE 69 -9.675 18.830 -7.538 451 HG13 ILE 69 3HG1 ILE 69 -9.506 20.556 -7.844 452 HG21 ILE 69 1HG2 ILE 69 -9.682 17.250 -9.228 453 HG22 ILE 69 2HG2 ILE 69 -8.956 17.671 -10.778 454 HG23 ILE 69 3HG2 ILE 69 -8.044 17.901 -9.286 455 HD11 ILE 69 3HD1 ILE 69 -11.804 20.717 -8.503 456 HD12 ILE 69 1HD1 ILE 69 -11.999 18.967 -8.395 457 HD13 ILE 69 2HD1 ILE 69 -11.708 19.914 -6.935 458 H GLU 70 H GLU 70 -9.735 21.225 -12.167 459 HA GLU 70 HA GLU 70 -8.886 19.420 -14.107 460 HB2 GLU 70 2HB GLU 70 -10.518 21.692 -14.022 461 HB3 GLU 70 3HB GLU 70 -9.288 22.062 -15.222 462 HG2 GLU 70 2HG GLU 70 -10.398 19.381 -15.490 463 HG3 GLU 70 3HG GLU 70 -11.594 20.663 -15.670 464 H ALA 71 H ALA 71 -7.501 22.535 -13.150 465 HA ALA 71 HA ALA 71 -5.498 22.652 -15.123 466 HB1 ALA 71 1HB ALA 71 -6.252 24.549 -13.683 467 HB2 ALA 71 2HB ALA 71 -5.338 23.832 -12.356 468 HB3 ALA 71 3HB ALA 71 -4.501 24.377 -13.809 469 H GLY 72 H GLY 72 -5.592 21.154 -11.932 470 HA2 GLY 72 2HA GLY 72 -4.171 19.047 -11.936 471 HA3 GLY 72 3HA GLY 72 -2.863 20.129 -12.392 472 H TYR 73 H TYR 73 -4.484 22.067 -10.477 473 HA TYR 73 HA TYR 73 -2.708 21.848 -8.307 474 HB2 TYR 73 2HB TYR 73 -5.395 23.223 -8.234 475 HB3 TYR 73 3HB TYR 73 -3.963 23.608 -7.286 476 HD1 TYR 73 HD1 TYR 73 -1.821 23.779 -9.176 477 HD2 TYR 73 HD2 TYR 73 -5.874 24.984 -9.645 478 HE1 TYR 73 HE1 TYR 73 -1.131 25.417 -10.877 479 HE2 TYR 73 HE2 TYR 73 -5.196 26.624 -11.348 480 HH TYR 73 HH TYR 73 -2.040 26.663 -12.708 481 H VAL 74 H VAL 74 -2.670 20.047 -7.102 482 HA VAL 74 HA VAL 74 -5.226 19.064 -6.008 483 HB VAL 74 HB VAL 74 -4.116 16.886 -5.688 484 HG11 VAL 74 1HG1 VAL 74 -3.916 17.852 -8.538 485 HG12 VAL 74 2HG1 VAL 74 -4.155 16.190 -7.995 486 HG13 VAL 74 3HG1 VAL 74 -5.418 17.394 -7.735 487 HG21 VAL 74 3HG2 VAL 74 -1.923 17.053 -7.425 488 HG22 VAL 74 1HG2 VAL 74 -1.776 18.426 -6.328 489 HG23 VAL 74 2HG2 VAL 74 -1.895 16.790 -5.681 490 H LEU 75 H LEU 75 -5.524 19.333 -3.901 491 HA LEU 75 HA LEU 75 -3.646 20.559 -2.217 492 HB2 LEU 75 2HB LEU 75 -6.111 18.965 -1.531 493 HB3 LEU 75 3HB LEU 75 -5.206 19.955 -0.388 494 HG LEU 75 HG LEU 75 -6.861 20.868 -2.729 495 HD11 LEU 75 1HD1 LEU 75 -8.081 20.424 -0.679 496 HD12 LEU 75 2HD1 LEU 75 -8.021 22.158 -0.995 497 HD13 LEU 75 3HD1 LEU 75 -6.968 21.448 0.228 498 HD21 LEU 75 3HD2 LEU 75 -4.768 22.129 -2.724 499 HD22 LEU 75 1HD2 LEU 75 -4.999 22.515 -1.019 500 HD23 LEU 75 2HD2 LEU 75 -6.125 23.140 -2.225 501 H THR 76 H THR 76 -1.761 19.636 -1.715 502 HA THR 76 HA THR 76 -1.303 16.856 -1.560 503 HB THR 76 HB THR 76 0.859 17.468 -0.492 504 HG1 THR 76 HG1 THR 76 1.090 19.388 0.365 505 HG21 THR 76 3HG2 THR 76 -0.103 18.263 -3.085 506 HG22 THR 76 1HG2 THR 76 1.482 17.644 -2.626 507 HG23 THR 76 2HG2 THR 76 1.149 19.373 -2.530 508 H CYS 77 H CYS 77 -2.591 19.106 0.689 509 HA CYS 77 HA CYS 77 -1.928 17.624 3.059 510 HB2 CYS 77 2HB CYS 77 -3.515 19.189 4.170 511 HB3 CYS 77 3HB CYS 77 -2.264 20.010 3.243 512 H VAL 78 H VAL 78 -4.011 17.019 0.578 513 HA VAL 78 HA VAL 78 -5.433 15.028 2.103 514 HB VAL 78 HB VAL 78 -7.672 15.877 1.104 515 HG11 VAL 78 1HG1 VAL 78 -8.223 16.874 3.147 516 HG12 VAL 78 2HG1 VAL 78 -6.889 15.788 3.543 517 HG13 VAL 78 3HG1 VAL 78 -6.598 17.520 3.374 518 HG21 VAL 78 3HG2 VAL 78 -7.833 17.968 0.300 519 HG22 VAL 78 1HG2 VAL 78 -6.724 18.622 1.505 520 HG23 VAL 78 2HG2 VAL 78 -6.091 17.834 0.060 521 H ALA 79 H ALA 79 -3.611 14.652 0.116 522 HA ALA 79 HA ALA 79 -5.270 13.822 -2.177 523 HB1 ALA 79 1HB ALA 79 -2.392 14.714 -2.143 524 HB2 ALA 79 2HB ALA 79 -3.187 13.981 -3.537 525 HB3 ALA 79 3HB ALA 79 -3.758 15.527 -2.907 526 H TYR 80 H TYR 80 -5.194 11.732 -2.799 527 HA TYR 80 HA TYR 80 -3.392 9.955 -1.290 528 HB2 TYR 80 2HB TYR 80 -6.106 9.347 -2.480 529 HB3 TYR 80 3HB TYR 80 -5.085 8.192 -1.631 530 HD1 TYR 80 HD2 TYR 80 -4.306 9.080 0.789 531 HD2 TYR 80 HD1 TYR 80 -7.819 10.304 -1.277 532 HE1 TYR 80 HE2 TYR 80 -5.324 9.746 2.927 533 HE2 TYR 80 HE1 TYR 80 -8.846 10.975 0.855 534 HH TYR 80 HH TYR 80 -8.566 10.335 3.315 535 HA PRO 81 HA PRO 81 -1.849 9.591 -5.573 536 HB2 PRO 81 2HB PRO 81 0.669 8.910 -4.821 537 HB3 PRO 81 3HB PRO 81 0.111 10.585 -4.904 538 HG2 PRO 81 2HG PRO 81 0.363 8.788 -2.523 539 HG3 PRO 81 3HG PRO 81 0.804 10.498 -2.686 540 HD2 PRO 81 2HD PRO 81 -1.489 9.693 -1.491 541 HD3 PRO 81 3HD PRO 81 -1.366 11.216 -2.395 542 H THR 82 H THR 82 -3.262 7.709 -5.732 543 HA THR 82 HA THR 82 -2.791 5.208 -4.638 544 HB THR 82 HB THR 82 -3.682 4.906 -7.361 545 HG1 THR 82 HG1 THR 82 -5.288 6.725 -5.913 546 HG21 THR 82 3HG2 THR 82 -5.323 3.681 -6.379 547 HG22 THR 82 1HG2 THR 82 -5.602 4.871 -5.109 548 HG23 THR 82 2HG2 THR 82 -4.233 3.764 -4.995 549 H SER 83 H SER 83 -1.124 6.849 -7.199 550 HA SER 83 HA SER 83 0.812 4.674 -7.317 551 HB2 SER 83 2HB SER 83 0.640 5.359 -9.985 552 HB3 SER 83 3HB SER 83 -0.038 3.903 -9.258 553 HG SER 83 HG SER 83 -1.925 4.662 -9.737 554 H ASP 84 H ASP 84 2.622 5.422 -8.984 555 HA ASP 84 HA ASP 84 3.966 7.551 -7.869 556 HB2 ASP 84 2HB ASP 84 5.457 7.469 -9.773 557 HB3 ASP 84 3HB ASP 84 4.978 5.827 -9.351 558 H CYS 85 H CYS 85 4.210 9.714 -8.327 559 HA CYS 85 HA CYS 85 2.791 10.931 -10.528 560 HB2 CYS 85 2HB CYS 85 1.573 12.513 -8.943 561 HB3 CYS 85 3HB CYS 85 0.939 10.876 -9.055 562 HG CYS 85 HG CYS 85 3.123 10.891 -6.641 563 H THR 86 H THR 86 3.073 13.375 -10.457 564 HA THR 86 HA THR 86 5.592 14.106 -9.125 565 HB THR 86 HB THR 86 4.889 14.770 -11.991 566 HG1 THR 86 HG1 THR 86 7.100 13.225 -11.135 567 HG21 THR 86 3HG2 THR 86 7.596 15.262 -11.483 568 HG22 THR 86 1HG2 THR 86 6.731 15.953 -10.111 569 HG23 THR 86 2HG2 THR 86 6.328 16.458 -11.753 570 H ILE 87 H ILE 87 4.010 15.086 -7.623 571 HA ILE 87 HA ILE 87 2.327 17.216 -8.434 572 HB ILE 87 HB ILE 87 3.495 16.728 -5.692 573 HG12 ILE 87 2HG1 ILE 87 0.856 15.874 -5.701 574 HG13 ILE 87 3HG1 ILE 87 1.479 15.298 -7.243 575 HG21 ILE 87 1HG2 ILE 87 1.252 18.434 -6.715 576 HG22 ILE 87 2HG2 ILE 87 1.289 17.870 -5.045 577 HG23 ILE 87 3HG2 ILE 87 2.596 18.880 -5.663 578 HD11 ILE 87 3HD1 ILE 87 3.242 14.100 -6.133 579 HD12 ILE 87 1HD1 ILE 87 2.758 14.766 -4.573 580 HD13 ILE 87 2HD1 ILE 87 1.689 13.652 -5.427 581 H GLU 88 H GLU 88 2.763 19.285 -8.847 582 HA GLU 88 HA GLU 88 5.503 20.231 -8.431 583 HB2 GLU 88 2HB GLU 88 3.259 21.321 -10.136 584 HB3 GLU 88 3HB GLU 88 4.847 22.060 -9.993 585 HG2 GLU 88 2HG GLU 88 5.892 20.352 -11.153 586 HG3 GLU 88 3HG GLU 88 4.580 19.213 -10.856 587 H THR 89 H THR 89 5.543 20.867 -6.308 588 HA THR 89 HA THR 89 3.524 22.273 -4.966 589 HB THR 89 HB THR 89 5.160 22.779 -3.266 590 HG1 THR 89 HG1 THR 89 6.960 22.364 -5.383 591 HG21 THR 89 3HG2 THR 89 6.200 20.503 -2.961 592 HG22 THR 89 1HG2 THR 89 5.545 20.073 -4.541 593 HG23 THR 89 2HG2 THR 89 4.456 20.502 -3.221 594 H HIS 90 H HIS 90 4.043 24.528 -3.962 595 HA HIS 90 HA HIS 90 4.117 26.778 -4.286 596 HB2 HIS 90 2HB HIS 90 6.339 25.966 -6.167 597 HB3 HIS 90 3HB HIS 90 5.981 27.636 -5.735 598 HD1 HIS 90 HD1 HIS 90 6.443 24.481 -3.642 599 HD2 HIS 90 HD2 HIS 90 7.789 28.404 -3.893 600 HE1 HIS 90 HE1 HIS 90 8.029 24.772 -1.712 601 H LYS 91 H LYS 91 1.998 25.831 -5.477 602 HA LYS 91 HA LYS 91 1.766 27.459 -7.875 603 HB2 LYS 91 2HB LYS 91 1.161 24.499 -7.836 604 HB3 LYS 91 3HB LYS 91 0.597 25.594 -9.091 605 HG2 LYS 91 2HG LYS 91 3.496 25.159 -8.411 606 HG3 LYS 91 3HG LYS 91 2.633 24.304 -9.691 607 HD2 LYS 91 2HD LYS 91 2.016 26.732 -10.468 608 HD3 LYS 91 3HD LYS 91 3.445 27.172 -9.529 609 HE2 LYS 91 2HE LYS 91 4.722 25.462 -10.834 610 HE3 LYS 91 3HE LYS 91 3.297 25.255 -11.851 611 HZ1 LYS 91 3HZ LYS 91 3.736 27.124 -12.955 612 HZ2 LYS 91 1HZ LYS 91 5.284 27.043 -12.277 613 HZ3 LYS 91 2HZ LYS 91 4.093 27.998 -11.551 614 H GLU 92 H GLU 92 0.691 28.318 -5.683 615 HA GLU 92 HA GLU 92 -2.136 27.489 -5.759 616 HB2 GLU 92 2HB GLU 92 -2.337 28.190 -3.445 617 HB3 GLU 92 3HB GLU 92 -1.036 27.018 -3.600 618 HG2 GLU 92 2HG GLU 92 -0.495 29.963 -3.634 619 HG3 GLU 92 3HG GLU 92 -0.653 29.068 -2.124 620 H GLU 93 H GLU 93 0.130 30.101 -5.964 621 HA GLU 93 HA GLU 93 -1.557 32.292 -5.560 622 HB2 GLU 93 2HB GLU 93 1.076 31.815 -6.710 623 HB3 GLU 93 3HB GLU 93 0.218 33.110 -7.533 624 HG2 GLU 93 2HG GLU 93 -0.230 33.755 -4.939 625 HG3 GLU 93 3HG GLU 93 1.369 33.018 -4.841 626 H ASP 94 H ASP 94 -1.347 30.067 -8.181 627 HA ASP 94 HA ASP 94 -2.299 31.551 -10.321 628 HB2 ASP 94 2HB ASP 94 -2.300 28.691 -9.568 629 HB3 ASP 94 3HB ASP 94 -3.492 29.163 -10.776 630 H LEU 95 H LEU 95 -4.058 30.075 -7.650 631 HA LEU 95 HA LEU 95 -6.651 30.627 -8.713 632 HB2 LEU 95 2HB LEU 95 -6.104 30.258 -5.797 633 HB3 LEU 95 3HB LEU 95 -7.504 29.751 -6.740 634 HG LEU 95 HG LEU 95 -4.775 28.474 -6.687 635 HD11 LEU 95 1HD1 LEU 95 -6.646 28.105 -4.886 636 HD12 LEU 95 2HD1 LEU 95 -5.726 26.744 -5.527 637 HD13 LEU 95 3HD1 LEU 95 -7.347 27.079 -6.137 638 HD21 LEU 95 3HD2 LEU 95 -6.950 28.336 -8.671 639 HD22 LEU 95 1HD2 LEU 95 -6.287 26.789 -8.145 640 HD23 LEU 95 2HD2 LEU 95 -5.225 28.009 -8.847 641 H TYR 96 H TYR 96 -4.974 31.985 -5.869 642 HA TYR 96 HA TYR 96 -6.727 34.128 -5.488 643 HB2 TYR 96 2HB TYR 96 -3.819 33.804 -4.740 644 HB3 TYR 96 3HB TYR 96 -4.813 35.155 -4.206 645 HD1 TYR 96 HD1 TYR 96 -4.470 31.467 -4.047 646 HD2 TYR 96 HD2 TYR 96 -6.262 34.936 -2.357 647 HE1 TYR 96 HE1 TYR 96 -5.256 30.125 -2.141 648 HE2 TYR 96 HE2 TYR 96 -7.052 33.605 -0.446 649 HH TYR 96 HH TYR 96 -6.710 31.597 0.666 Start of MODEL 2 1 H1 ALA 1 H ALA 1 1.427 -0.306 1.039 2 HA ALA 1 HA ALA 1 2.607 -0.373 -0.918 3 HB1 ALA 1 1HB ALA 1 -0.077 -0.067 -2.259 4 HB2 ALA 1 2HB ALA 1 1.439 -0.486 -3.057 5 HB3 ALA 1 3HB ALA 1 0.724 -1.593 -1.884 6 H SER 2 H SER 2 3.795 1.452 -0.733 7 HA SER 2 HA SER 2 2.590 4.037 -1.337 8 HB2 SER 2 2HB SER 2 4.448 5.023 -0.313 9 HB3 SER 2 3HB SER 2 4.237 3.538 0.613 10 HG SER 2 HG SER 2 6.437 4.068 -0.173 11 H TYR 3 H TYR 3 3.516 5.491 -2.878 12 HA TYR 3 HA TYR 3 5.088 4.183 -4.995 13 HB2 TYR 3 2HB TYR 3 2.540 5.751 -5.239 14 HB3 TYR 3 3HB TYR 3 3.689 5.711 -6.572 15 HD1 TYR 3 HD2 TYR 3 4.228 3.539 -7.666 16 HD2 TYR 3 HD1 TYR 3 1.141 3.886 -4.759 17 HE1 TYR 3 HE2 TYR 3 3.285 1.397 -8.420 18 HE2 TYR 3 HE1 TYR 3 0.190 1.744 -5.504 19 HH TYR 3 HH TYR 3 1.763 -0.468 -7.216 20 H THR 4 H THR 4 6.518 5.494 -6.134 21 HA THR 4 HA THR 4 7.784 7.532 -4.729 22 HB THR 4 HB THR 4 9.045 6.441 -6.410 23 HG1 THR 4 HG1 THR 4 9.712 8.244 -7.708 24 HG21 THR 4 3HG2 THR 4 8.440 6.647 -8.835 25 HG22 THR 4 1HG2 THR 4 6.890 7.321 -8.331 26 HG23 THR 4 2HG2 THR 4 7.321 5.670 -7.883 27 H VAL 5 H VAL 5 7.314 9.601 -4.396 28 HA VAL 5 HA VAL 5 5.413 10.919 -6.225 29 HB VAL 5 HB VAL 5 5.774 11.396 -3.263 30 HG11 VAL 5 1HG1 VAL 5 4.636 13.031 -5.366 31 HG12 VAL 5 2HG1 VAL 5 3.452 12.651 -4.113 32 HG13 VAL 5 3HG1 VAL 5 4.973 13.432 -3.682 33 HG21 VAL 5 3HG2 VAL 5 3.734 9.931 -4.886 34 HG22 VAL 5 1HG2 VAL 5 4.528 9.452 -3.386 35 HG23 VAL 5 2HG2 VAL 5 3.272 10.691 -3.363 36 H LYS 6 H LYS 6 6.560 12.228 -7.501 37 HA LYS 6 HA LYS 6 8.982 13.504 -6.602 38 HB2 LYS 6 2HB LYS 6 8.195 12.665 -9.023 39 HB3 LYS 6 3HB LYS 6 7.680 14.343 -9.138 40 HG2 LYS 6 2HG LYS 6 9.774 15.096 -9.339 41 HG3 LYS 6 3HG LYS 6 10.391 14.002 -8.098 42 HD2 LYS 6 2HD LYS 6 11.138 12.562 -9.628 43 HD3 LYS 6 3HD LYS 6 9.591 12.565 -10.479 44 HE2 LYS 6 2HE LYS 6 10.413 14.907 -11.320 45 HE3 LYS 6 3HE LYS 6 12.004 14.271 -10.904 46 HZ1 LYS 6 3HZ LYS 6 10.700 13.863 -13.249 47 HZ2 LYS 6 1HZ LYS 6 10.415 12.420 -12.413 48 HZ3 LYS 6 2HZ LYS 6 12.001 12.946 -12.677 49 H LEU 7 H LEU 7 8.886 15.219 -5.310 50 HA LEU 7 HA LEU 7 6.673 17.121 -5.620 51 HB2 LEU 7 2HB LEU 7 8.595 16.583 -3.372 52 HB3 LEU 7 3HB LEU 7 7.544 17.997 -3.405 53 HG LEU 7 HG LEU 7 6.588 15.135 -3.410 54 HD11 LEU 7 1HD1 LEU 7 7.551 15.506 -1.291 55 HD12 LEU 7 2HD1 LEU 7 5.819 15.761 -1.083 56 HD13 LEU 7 3HD1 LEU 7 6.906 17.145 -1.198 57 HD21 LEU 7 3HD2 LEU 7 4.433 16.357 -2.731 58 HD22 LEU 7 1HD2 LEU 7 4.912 16.397 -4.428 59 HD23 LEU 7 2HD2 LEU 7 5.206 17.797 -3.396 60 H ILE 8 H ILE 8 7.450 18.268 -7.404 61 HA ILE 8 HA ILE 8 10.047 19.321 -7.640 62 HB ILE 8 HB ILE 8 7.543 20.517 -8.825 63 HG12 ILE 8 2HG1 ILE 8 7.577 18.143 -9.335 64 HG13 ILE 8 3HG1 ILE 8 8.003 19.055 -10.779 65 HG21 ILE 8 1HG2 ILE 8 10.456 20.634 -9.568 66 HG22 ILE 8 2HG2 ILE 8 9.161 21.121 -10.660 67 HG23 ILE 8 3HG2 ILE 8 9.391 21.970 -9.132 68 HD11 ILE 8 3HD1 ILE 8 9.661 17.255 -9.108 69 HD12 ILE 8 1HD1 ILE 8 9.574 17.417 -10.862 70 HD13 ILE 8 2HD1 ILE 8 10.449 18.615 -9.907 71 H THR 9 H THR 9 11.005 21.079 -6.822 72 HA THR 9 HA THR 9 9.372 23.180 -5.602 73 HB THR 9 HB THR 9 10.469 23.171 -3.529 74 HG1 THR 9 HG1 THR 9 12.478 22.522 -3.313 75 HG21 THR 9 3HG2 THR 9 10.470 20.217 -3.913 76 HG22 THR 9 1HG2 THR 9 8.961 21.094 -4.161 77 HG23 THR 9 2HG2 THR 9 9.788 21.184 -2.606 78 HA PRO 10 HA PRO 10 12.273 25.915 -7.445 79 HB2 PRO 10 2HB PRO 10 12.173 28.009 -5.720 80 HB3 PRO 10 3HB PRO 10 10.860 27.622 -6.839 81 HG2 PRO 10 2HG PRO 10 11.119 26.978 -3.927 82 HG3 PRO 10 3HG PRO 10 9.704 27.564 -4.822 83 HD2 PRO 10 2HD PRO 10 10.028 24.961 -4.151 84 HD3 PRO 10 3HD PRO 10 9.192 25.468 -5.633 85 H ASP 11 H ASP 11 12.818 24.502 -4.417 86 HA ASP 11 HA ASP 11 15.535 25.623 -4.265 87 HB2 ASP 11 2HB ASP 11 13.639 25.437 -2.281 88 HB3 ASP 11 3HB ASP 11 14.632 24.012 -1.988 89 H GLY 12 H GLY 12 14.367 23.318 -5.908 90 HA2 GLY 12 2HA GLY 12 16.201 21.703 -6.599 91 HA3 GLY 12 3HA GLY 12 16.163 21.194 -4.918 92 H GLU 13 H GLU 13 15.815 19.118 -6.252 93 HA GLU 13 HA GLU 13 12.913 18.723 -6.583 94 HB2 GLU 13 2HB GLU 13 15.216 17.583 -8.152 95 HB3 GLU 13 3HB GLU 13 13.633 16.818 -8.147 96 HG2 GLU 13 2HG GLU 13 12.626 18.613 -9.235 97 HG3 GLU 13 3HG GLU 13 13.953 19.708 -8.853 98 H SER 14 H SER 14 12.050 17.398 -5.142 99 HA SER 14 HA SER 14 13.786 15.390 -3.861 100 HB2 SER 14 2HB SER 14 11.296 16.231 -2.485 101 HB3 SER 14 3HB SER 14 12.883 15.852 -1.815 102 HG SER 14 HG SER 14 13.475 17.879 -2.037 103 H SER 15 H SER 15 12.654 13.435 -3.089 104 HA SER 15 HA SER 15 10.188 12.786 -4.508 105 HB2 SER 15 2HB SER 15 11.822 10.502 -4.812 106 HB3 SER 15 3HB SER 15 11.213 11.564 -6.081 107 HG SER 15 HG SER 15 13.731 11.382 -4.990 108 H ILE 16 H ILE 16 8.952 12.316 -2.794 109 HA ILE 16 HA ILE 16 10.043 10.525 -0.730 110 HB ILE 16 HB ILE 16 8.123 11.302 0.669 111 HG12 ILE 16 2HG1 ILE 16 7.805 13.498 -1.373 112 HG13 ILE 16 3HG1 ILE 16 6.796 12.056 -1.387 113 HG21 ILE 16 1HG2 ILE 16 10.014 13.430 -0.324 114 HG22 ILE 16 2HG2 ILE 16 9.102 13.496 1.183 115 HG23 ILE 16 3HG2 ILE 16 10.335 12.257 0.953 116 HD11 ILE 16 3HD1 ILE 16 5.442 13.294 -0.111 117 HD12 ILE 16 1HD1 ILE 16 6.540 12.831 1.189 118 HD13 ILE 16 2HD1 ILE 16 6.735 14.387 0.383 119 H GLU 17 H GLU 17 8.749 8.798 0.056 120 HA GLU 17 HA GLU 17 6.975 7.701 -1.994 121 HB2 GLU 17 2HB GLU 17 8.918 6.592 -0.215 122 HB3 GLU 17 3HB GLU 17 7.358 5.863 0.139 123 HG2 GLU 17 2HG GLU 17 7.926 4.438 -1.487 124 HG3 GLU 17 3HG GLU 17 7.362 5.723 -2.554 125 H CYS 18 H CYS 18 4.891 8.160 -1.767 126 HA CYS 18 HA CYS 18 3.765 8.331 0.945 127 HB2 CYS 18 2HB CYS 18 2.514 9.370 -1.600 128 HB3 CYS 18 3HB CYS 18 2.037 9.732 0.055 129 HG CYS 18 HG CYS 18 5.080 10.653 -1.195 130 H SER 19 H SER 19 1.646 7.431 1.313 131 HA SER 19 HA SER 19 1.181 5.036 -0.330 132 HB2 SER 19 2HB SER 19 1.381 5.408 2.480 133 HB3 SER 19 3HB SER 19 -0.287 4.957 2.127 134 HG SER 19 HG SER 19 0.763 3.242 0.778 135 H ASP 20 H ASP 20 -0.997 4.391 -0.771 136 HA ASP 20 HA ASP 20 -2.631 6.417 -1.758 137 HB2 ASP 20 2HB ASP 20 -2.743 4.088 -2.537 138 HB3 ASP 20 3HB ASP 20 -3.421 3.600 -0.986 139 H ASP 21 H ASP 21 -2.706 4.733 1.336 140 HA ASP 21 HA ASP 21 -5.049 6.261 2.174 141 HB2 ASP 21 2HB ASP 21 -3.511 4.017 3.489 142 HB3 ASP 21 3HB ASP 21 -4.858 4.853 4.256 143 H THR 22 H THR 22 -2.781 7.809 1.698 144 HA THR 22 HA THR 22 -2.403 8.971 4.334 145 HB THR 22 HB THR 22 0.117 8.724 2.786 146 HG1 THR 22 HG1 THR 22 0.439 6.642 3.932 147 HG21 THR 22 3HG2 THR 22 0.977 8.403 5.149 148 HG22 THR 22 1HG2 THR 22 -0.668 8.725 5.694 149 HG23 THR 22 2HG2 THR 22 0.224 9.960 4.806 150 H TYR 23 H TYR 23 -1.242 11.095 4.186 151 HA TYR 23 HA TYR 23 -2.094 12.469 1.738 152 HB2 TYR 23 2HB TYR 23 -1.281 13.764 4.339 153 HB3 TYR 23 3HB TYR 23 -2.198 14.476 3.017 154 HD1 TYR 23 HD2 TYR 23 -4.507 13.416 2.509 155 HD2 TYR 23 HD1 TYR 23 -2.397 12.834 6.157 156 HE1 TYR 23 HE2 TYR 23 -6.608 12.773 3.614 157 HE2 TYR 23 HE1 TYR 23 -4.491 12.188 7.273 158 HH TYR 23 HH TYR 23 -7.511 11.869 5.468 159 H ILE 24 H ILE 24 -0.674 13.363 0.378 160 HA ILE 24 HA ILE 24 2.018 12.759 0.373 161 HB ILE 24 HB ILE 24 0.692 15.154 -0.904 162 HG12 ILE 24 2HG1 ILE 24 1.454 12.748 -2.463 163 HG13 ILE 24 3HG1 ILE 24 0.079 12.573 -1.377 164 HG21 ILE 24 1HG2 ILE 24 2.605 15.072 -2.475 165 HG22 ILE 24 2HG2 ILE 24 3.075 15.481 -0.826 166 HG23 ILE 24 3HG2 ILE 24 3.356 13.854 -1.445 167 HD11 ILE 24 3HD1 ILE 24 -0.513 14.910 -2.623 168 HD12 ILE 24 1HD1 ILE 24 0.316 14.023 -3.903 169 HD13 ILE 24 2HD1 ILE 24 -1.100 13.322 -3.117 170 H LEU 25 H LEU 25 0.359 15.382 1.959 171 HA LEU 25 HA LEU 25 2.617 17.020 2.456 172 HB2 LEU 25 2HB LEU 25 0.258 17.768 2.598 173 HB3 LEU 25 3HB LEU 25 0.074 16.801 4.060 174 HG LEU 25 HG LEU 25 1.613 18.215 5.252 175 HD11 LEU 25 1HD1 LEU 25 3.155 18.688 3.416 176 HD12 LEU 25 2HD1 LEU 25 2.642 20.169 4.224 177 HD13 LEU 25 3HD1 LEU 25 1.945 19.729 2.665 178 HD21 LEU 25 3HD2 LEU 25 -0.858 18.897 4.722 179 HD22 LEU 25 1HD2 LEU 25 -0.088 20.195 3.810 180 HD23 LEU 25 2HD2 LEU 25 0.226 20.024 5.538 181 H ASP 26 H ASP 26 0.930 14.615 4.461 182 HA ASP 26 HA ASP 26 2.554 14.823 6.726 183 HB2 ASP 26 2HB ASP 26 0.596 12.902 5.674 184 HB3 ASP 26 3HB ASP 26 1.812 12.182 6.725 185 H ALA 27 H ALA 27 2.877 12.798 3.842 186 HA ALA 27 HA ALA 27 5.166 11.382 4.760 187 HB1 ALA 27 1HB ALA 27 4.161 10.207 3.091 188 HB2 ALA 27 2HB ALA 27 3.721 11.654 2.183 189 HB3 ALA 27 3HB ALA 27 5.379 11.053 2.137 190 H ALA 28 H ALA 28 4.678 14.422 3.129 191 HA ALA 28 HA ALA 28 7.392 14.728 2.262 192 HB1 ALA 28 1HB ALA 28 5.268 16.844 2.579 193 HB2 ALA 28 2HB ALA 28 6.754 16.969 1.638 194 HB3 ALA 28 3HB ALA 28 5.491 15.842 1.145 195 H GLU 29 H GLU 29 5.481 16.524 4.688 196 HA GLU 29 HA GLU 29 7.576 17.902 5.857 197 HB2 GLU 29 2HB GLU 29 6.134 18.201 7.792 198 HB3 GLU 29 3HB GLU 29 5.198 18.356 6.312 199 HG2 GLU 29 2HG GLU 29 3.789 17.043 7.505 200 HG3 GLU 29 3HG GLU 29 4.760 15.790 6.734 201 H GLU 30 H GLU 30 6.437 14.630 6.471 202 HA GLU 30 HA GLU 30 7.913 14.123 8.806 203 HB2 GLU 30 2HB GLU 30 6.099 12.666 8.090 204 HB3 GLU 30 3HB GLU 30 6.995 12.219 6.646 205 HG2 GLU 30 2HG GLU 30 8.586 11.002 7.885 206 HG3 GLU 30 3HG GLU 30 8.034 11.690 9.411 207 H ALA 31 H ALA 31 8.732 13.792 5.390 208 HA ALA 31 HA ALA 31 11.299 12.609 5.914 209 HB1 ALA 31 1HB ALA 31 11.019 13.816 3.292 210 HB2 ALA 31 2HB ALA 31 11.279 12.129 3.739 211 HB3 ALA 31 3HB ALA 31 9.644 12.791 3.705 212 H GLY 32 H GLY 32 10.034 15.827 5.511 213 HA2 GLY 32 2HA GLY 32 11.333 17.637 6.509 214 HA3 GLY 32 3HA GLY 32 12.774 16.874 5.853 215 H LEU 33 H LEU 33 9.948 16.975 3.877 216 HA LEU 33 HA LEU 33 11.266 18.388 1.815 217 HB2 LEU 33 2HB LEU 33 8.642 17.185 2.262 218 HB3 LEU 33 3HB LEU 33 8.600 18.601 1.214 219 HG LEU 33 HG LEU 33 8.771 16.416 0.019 220 HD11 LEU 33 1HD1 LEU 33 9.844 18.806 -0.607 221 HD12 LEU 33 2HD1 LEU 33 9.892 17.398 -1.668 222 HD13 LEU 33 3HD1 LEU 33 11.285 17.790 -0.660 223 HD21 LEU 33 3HD2 LEU 33 11.570 16.375 1.138 224 HD22 LEU 33 1HD2 LEU 33 10.856 15.215 0.018 225 HD23 LEU 33 2HD2 LEU 33 10.258 15.325 1.674 226 H ASP 34 H ASP 34 8.900 19.350 4.252 227 HA ASP 34 HA ASP 34 8.231 21.388 5.010 228 HB2 ASP 34 2HB ASP 34 10.736 21.711 5.129 229 HB3 ASP 34 3HB ASP 34 10.631 22.518 3.567 230 H LEU 35 H LEU 35 6.623 20.771 3.157 231 HA LEU 35 HA LEU 35 6.699 22.523 0.865 232 HB2 LEU 35 2HB LEU 35 5.134 20.230 1.760 233 HB3 LEU 35 3HB LEU 35 4.163 21.465 0.960 234 HG LEU 35 HG LEU 35 5.428 21.257 -1.055 235 HD11 LEU 35 1HD1 LEU 35 7.601 20.823 -0.894 236 HD12 LEU 35 2HD1 LEU 35 7.165 19.125 -0.707 237 HD13 LEU 35 3HD1 LEU 35 7.418 20.132 0.719 238 HD21 LEU 35 3HD2 LEU 35 5.176 18.393 -0.301 239 HD22 LEU 35 1HD2 LEU 35 4.622 19.237 -1.747 240 HD23 LEU 35 2HD2 LEU 35 3.733 19.405 -0.233 241 HA PRO 36 HA PRO 36 4.339 25.899 2.376 242 HB2 PRO 36 2HB PRO 36 2.733 26.485 0.268 243 HB3 PRO 36 3HB PRO 36 4.470 26.812 0.272 244 HG2 PRO 36 2HG PRO 36 2.977 24.526 -0.955 245 HG3 PRO 36 3HG PRO 36 4.314 25.478 -1.626 246 HD2 PRO 36 2HD PRO 36 4.676 23.029 -0.530 247 HD3 PRO 36 3HD PRO 36 5.909 24.304 -0.446 248 H TYR 37 H TYR 37 3.276 24.343 3.924 249 HA TYR 37 HA TYR 37 0.419 24.028 3.273 250 HB2 TYR 37 2HB TYR 37 0.322 22.072 4.566 251 HB3 TYR 37 3HB TYR 37 1.849 21.929 3.703 252 HD1 TYR 37 HD1 TYR 37 0.285 22.534 6.969 253 HD2 TYR 37 HD2 TYR 37 3.956 22.036 4.876 254 HE1 TYR 37 HE1 TYR 37 1.459 22.241 9.111 255 HE2 TYR 37 HE2 TYR 37 5.140 21.740 7.012 256 HH TYR 37 HH TYR 37 4.483 20.962 9.389 257 H SER 38 H SER 38 -1.087 24.313 5.036 258 HA SER 38 HA SER 38 -0.108 25.764 7.369 259 HB2 SER 38 2HB SER 38 -0.999 27.191 5.186 260 HB3 SER 38 3HB SER 38 -2.446 27.079 6.187 261 HG SER 38 HG SER 38 0.094 27.990 7.070 262 H CYS 39 H CYS 39 -2.888 24.438 5.627 263 HA CYS 39 HA CYS 39 -4.403 24.157 8.090 264 HB2 CYS 39 2HB CYS 39 -6.232 23.459 6.708 265 HB3 CYS 39 3HB CYS 39 -5.470 24.835 5.917 266 H ARG 40 H ARG 40 -2.642 22.167 5.799 267 HA ARG 40 HA ARG 40 -2.285 19.894 5.708 268 HB2 ARG 40 2HB ARG 40 -1.143 19.068 7.696 269 HB3 ARG 40 3HB ARG 40 -0.633 20.712 7.334 270 HG2 ARG 40 2HG ARG 40 -1.799 21.603 9.144 271 HG3 ARG 40 3HG ARG 40 -2.809 20.166 9.317 272 HD2 ARG 40 2HD ARG 40 -0.718 18.903 9.919 273 HD3 ARG 40 3HD ARG 40 0.115 20.456 9.977 274 HE ARG 40 HE ARG 40 -2.251 20.331 11.611 275 HH11 ARG 40 1HH1 ARG 40 1.175 19.732 11.461 276 HH12 ARG 40 2HH1 ARG 40 1.401 19.839 13.175 277 HH21 ARG 40 1HH2 ARG 40 -1.966 20.473 13.870 278 HH22 ARG 40 2HH2 ARG 40 -0.387 20.259 14.545 279 H ALA 41 H ALA 41 -5.016 20.370 5.888 280 HA ALA 41 HA ALA 41 -5.878 17.913 7.180 281 HB1 ALA 41 1HB ALA 41 -6.617 18.994 8.995 282 HB2 ALA 41 2HB ALA 41 -6.516 20.573 8.213 283 HB3 ALA 41 3HB ALA 41 -7.926 19.547 7.950 284 H GLY 42 H GLY 42 -6.696 20.732 5.212 285 HA2 GLY 42 2HA GLY 42 -7.512 20.013 2.927 286 HA3 GLY 42 3HA GLY 42 -8.710 19.084 3.816 287 H ALA 43 H ALA 43 -7.514 22.400 3.380 288 HA ALA 43 HA ALA 43 -10.032 23.485 2.819 289 HB1 ALA 43 1HB ALA 43 -10.157 24.858 5.028 290 HB2 ALA 43 2HB ALA 43 -10.822 23.226 4.969 291 HB3 ALA 43 3HB ALA 43 -9.241 23.508 5.698 292 H CYS 44 H CYS 44 -7.399 23.698 1.839 293 HA CYS 44 HA CYS 44 -7.122 26.578 1.842 294 HB2 CYS 44 2HB CYS 44 -5.046 26.777 2.797 295 HB3 CYS 44 3HB CYS 44 -5.662 25.419 3.733 296 H SER 45 H SER 45 -5.054 27.105 0.404 297 HA SER 45 HA SER 45 -4.905 25.190 -1.815 298 HB2 SER 45 2HB SER 45 -5.829 26.576 -3.334 299 HB3 SER 45 3HB SER 45 -6.470 27.460 -1.950 300 HG SER 45 HG SER 45 -5.292 28.782 -3.452 301 H THR 46 H THR 46 -3.227 26.647 0.452 302 HA THR 46 HA THR 46 -1.068 27.808 -1.056 303 HB THR 46 HB THR 46 -1.730 28.468 1.314 304 HG1 THR 46 HG1 THR 46 0.511 28.799 1.865 305 HG21 THR 46 3HG2 THR 46 -1.425 25.806 1.852 306 HG22 THR 46 1HG2 THR 46 -1.424 27.087 3.063 307 HG23 THR 46 2HG2 THR 46 0.103 26.471 2.430 308 H CYS 47 H CYS 47 -1.922 24.665 0.060 309 HA CYS 47 HA CYS 47 0.804 23.666 -0.339 310 HB2 CYS 47 2HB CYS 47 0.013 21.597 0.697 311 HB3 CYS 47 3HB CYS 47 -0.350 22.980 1.724 312 H ALA 48 H ALA 48 -2.145 23.978 -1.957 313 HA ALA 48 HA ALA 48 -2.426 21.690 -3.460 314 HB1 ALA 48 1HB ALA 48 -3.811 23.882 -3.433 315 HB2 ALA 48 2HB ALA 48 -2.754 24.363 -4.760 316 HB3 ALA 48 3HB ALA 48 -3.751 22.916 -4.907 317 H GLY 49 H GLY 49 -1.543 20.867 -5.325 318 HA2 GLY 49 2HA GLY 49 0.788 22.295 -6.434 319 HA3 GLY 49 3HA GLY 49 0.904 20.597 -5.996 320 H LYS 50 H LYS 50 1.002 22.255 -8.597 321 HA LYS 50 HA LYS 50 -1.182 21.282 -10.167 322 HB2 LYS 50 2HB LYS 50 0.120 23.367 -10.664 323 HB3 LYS 50 3HB LYS 50 1.475 22.350 -11.133 324 HG2 LYS 50 2HG LYS 50 0.328 21.497 -12.998 325 HG3 LYS 50 3HG LYS 50 -1.224 22.110 -12.423 326 HD2 LYS 50 2HD LYS 50 -0.876 24.135 -13.317 327 HD3 LYS 50 3HD LYS 50 0.794 24.194 -12.748 328 HE2 LYS 50 2HE LYS 50 1.604 23.104 -14.640 329 HE3 LYS 50 3HE LYS 50 0.022 22.447 -15.056 330 HZ1 LYS 50 3HZ LYS 50 0.262 25.349 -15.038 331 HZ2 LYS 50 1HZ LYS 50 -0.594 24.338 -16.091 332 HZ3 LYS 50 2HZ LYS 50 1.075 24.537 -16.280 333 H ILE 51 H ILE 51 -1.403 19.170 -10.533 334 HA ILE 51 HA ILE 51 1.003 17.576 -11.105 335 HB ILE 51 HB ILE 51 -1.014 17.043 -9.328 336 HG12 ILE 51 2HG1 ILE 51 1.161 15.995 -9.277 337 HG13 ILE 51 3HG1 ILE 51 -0.066 14.732 -9.300 338 HG21 ILE 51 1HG2 ILE 51 -1.527 15.321 -11.747 339 HG22 ILE 51 2HG2 ILE 51 -2.352 15.243 -10.191 340 HG23 ILE 51 3HG2 ILE 51 -2.560 16.653 -11.229 341 HD11 ILE 51 3HD1 ILE 51 0.337 14.793 -11.874 342 HD12 ILE 51 1HD1 ILE 51 1.869 15.536 -11.413 343 HD13 ILE 51 2HD1 ILE 51 1.451 13.930 -10.814 344 H THR 52 H THR 52 1.217 16.477 -12.991 345 HA THR 52 HA THR 52 -1.015 16.569 -14.904 346 HB THR 52 HB THR 52 0.361 18.329 -15.680 347 HG1 THR 52 HG1 THR 52 0.770 17.572 -17.679 348 HG21 THR 52 3HG2 THR 52 2.341 17.882 -14.331 349 HG22 THR 52 1HG2 THR 52 2.786 18.097 -16.023 350 HG23 THR 52 2HG2 THR 52 2.722 16.478 -15.327 351 H ALA 53 H ALA 53 2.052 15.091 -13.966 352 HA ALA 53 HA ALA 53 1.370 12.723 -15.573 353 HB1 ALA 53 1HB ALA 53 3.636 12.179 -15.674 354 HB2 ALA 53 2HB ALA 53 3.614 13.935 -15.843 355 HB3 ALA 53 3HB ALA 53 4.040 13.203 -14.296 356 H GLY 54 H GLY 54 -0.175 11.969 -14.016 357 HA2 GLY 54 2HA GLY 54 0.588 9.947 -12.379 358 HA3 GLY 54 3HA GLY 54 0.695 11.355 -11.333 359 H SER 55 H SER 55 -0.956 10.693 -9.971 360 HA SER 55 HA SER 55 -3.558 11.507 -10.652 361 HB2 SER 55 2HB SER 55 -4.601 9.153 -10.372 362 HB3 SER 55 3HB SER 55 -3.905 9.574 -11.937 363 HG SER 55 HG SER 55 -3.031 7.755 -10.028 364 H VAL 56 H VAL 56 -4.757 11.832 -8.846 365 HA VAL 56 HA VAL 56 -3.983 10.483 -6.365 366 HB VAL 56 HB VAL 56 -4.042 12.623 -5.121 367 HG11 VAL 56 1HG1 VAL 56 -1.821 12.850 -5.345 368 HG12 VAL 56 2HG1 VAL 56 -1.965 11.521 -6.498 369 HG13 VAL 56 3HG1 VAL 56 -1.931 13.189 -7.072 370 HG21 VAL 56 3HG2 VAL 56 -3.627 14.688 -6.630 371 HG22 VAL 56 1HG2 VAL 56 -4.411 13.722 -7.879 372 HG23 VAL 56 2HG2 VAL 56 -5.278 14.116 -6.395 373 H ASP 57 H ASP 57 -5.559 11.061 -4.565 374 HA ASP 57 HA ASP 57 -8.266 11.428 -5.670 375 HB2 ASP 57 2HB ASP 57 -7.199 9.120 -4.412 376 HB3 ASP 57 3HB ASP 57 -8.350 9.839 -3.288 377 H GLN 58 H GLN 58 -8.955 13.343 -4.974 378 HA GLN 58 HA GLN 58 -8.492 14.042 -2.149 379 HB2 GLN 58 2HB GLN 58 -8.807 16.455 -3.034 380 HB3 GLN 58 3HB GLN 58 -7.265 15.651 -3.300 381 HG2 GLN 58 2HG GLN 58 -7.588 15.459 -5.547 382 HG3 GLN 58 3HG GLN 58 -9.345 15.413 -5.403 383 HE21 GLN 58 1HE2 GLN 58 -6.787 17.237 -6.380 384 HE22 GLN 58 2HE2 GLN 58 -7.522 18.801 -6.353 385 H SER 59 H SER 59 -10.546 12.683 -2.044 386 HA SER 59 HA SER 59 -12.942 14.154 -2.834 387 HB2 SER 59 2HB SER 59 -12.301 11.397 -2.535 388 HB3 SER 59 3HB SER 59 -13.571 11.779 -1.372 389 HG SER 59 HG SER 59 -14.685 12.782 -3.197 390 H ASP 60 H ASP 60 -10.968 14.719 -0.513 391 HA ASP 60 HA ASP 60 -13.020 14.943 1.591 392 HB2 ASP 60 2HB ASP 60 -10.299 13.953 1.680 393 HB3 ASP 60 3HB ASP 60 -10.520 15.294 2.801 394 H GLN 61 H GLN 61 -11.001 16.614 -0.546 395 HA GLN 61 HA GLN 61 -10.288 18.918 0.800 396 HB2 GLN 61 2HB GLN 61 -10.222 20.017 -1.356 397 HB3 GLN 61 3HB GLN 61 -9.622 18.373 -1.521 398 HG2 GLN 61 2HG GLN 61 -10.967 18.569 -3.366 399 HG3 GLN 61 3HG GLN 61 -12.064 17.826 -2.202 400 HE21 GLN 61 1HE2 GLN 61 -11.052 20.967 -3.472 401 HE22 GLN 61 2HE2 GLN 61 -12.601 21.720 -3.333 402 H SER 62 H SER 62 -11.290 21.148 0.308 403 HA SER 62 HA SER 62 -14.159 21.234 0.116 404 HB2 SER 62 2HB SER 62 -13.079 20.843 2.669 405 HB3 SER 62 3HB SER 62 -13.473 22.560 2.601 406 HG SER 62 HG SER 62 -15.569 21.704 1.677 407 H PHE 63 H PHE 63 -11.675 22.390 -1.076 408 HA PHE 63 HA PHE 63 -12.425 25.224 -0.803 409 HB2 PHE 63 2HB PHE 63 -10.298 25.029 0.263 410 HB3 PHE 63 3HB PHE 63 -9.665 24.027 -1.038 411 HD1 PHE 63 HD1 PHE 63 -9.029 25.016 -3.173 412 HD2 PHE 63 HD2 PHE 63 -10.404 27.414 0.063 413 HE1 PHE 63 HE1 PHE 63 -8.141 27.022 -4.287 414 HE2 PHE 63 HE2 PHE 63 -9.520 29.424 -1.046 415 HZ PHE 63 HZ PHE 63 -8.387 29.230 -3.224 416 H LEU 64 H LEU 64 -10.479 23.111 -2.921 417 HA LEU 64 HA LEU 64 -10.872 24.634 -5.248 418 HB2 LEU 64 2HB LEU 64 -10.362 21.671 -5.155 419 HB3 LEU 64 3HB LEU 64 -9.944 22.795 -6.446 420 HG LEU 64 HG LEU 64 -8.717 22.965 -3.704 421 HD11 LEU 64 1HD1 LEU 64 -6.788 21.760 -4.649 422 HD12 LEU 64 2HD1 LEU 64 -7.735 21.417 -6.097 423 HD13 LEU 64 3HD1 LEU 64 -8.231 20.752 -4.541 424 HD21 LEU 64 3HD2 LEU 64 -7.515 23.845 -6.300 425 HD22 LEU 64 1HD2 LEU 64 -7.177 24.407 -4.663 426 HD23 LEU 64 2HD2 LEU 64 -8.682 24.867 -5.460 427 H ASP 65 H ASP 65 -11.780 23.177 -7.266 428 HA ASP 65 HA ASP 65 -14.329 21.961 -6.635 429 HB2 ASP 65 2HB ASP 65 -14.264 24.458 -8.341 430 HB3 ASP 65 3HB ASP 65 -15.685 23.512 -7.905 431 H ASP 66 H ASP 66 -15.512 21.976 -9.090 432 HA ASP 66 HA ASP 66 -14.066 20.006 -10.483 433 HB2 ASP 66 2HB ASP 66 -16.628 20.609 -10.473 434 HB3 ASP 66 3HB ASP 66 -16.188 21.612 -11.852 435 H ASP 67 H ASP 67 -13.833 23.398 -10.527 436 HA ASP 67 HA ASP 67 -12.723 23.538 -13.209 437 HB2 ASP 67 2HB ASP 67 -14.179 25.346 -12.114 438 HB3 ASP 67 3HB ASP 67 -12.746 25.766 -11.180 439 H GLN 68 H GLN 68 -11.601 24.236 -9.898 440 HA GLN 68 HA GLN 68 -8.919 24.698 -10.564 441 HB2 GLN 68 2HB GLN 68 -10.480 24.326 -8.139 442 HB3 GLN 68 3HB GLN 68 -8.872 23.627 -7.997 443 HG2 GLN 68 2HG GLN 68 -8.461 25.743 -7.270 444 HG3 GLN 68 3HG GLN 68 -8.127 25.936 -8.990 445 HE21 GLN 68 1HE2 GLN 68 -9.055 27.594 -9.944 446 HE22 GLN 68 2HE2 GLN 68 -10.472 28.421 -9.401 447 H ILE 69 H ILE 69 -10.367 21.763 -9.139 448 HA ILE 69 HA ILE 69 -8.149 20.128 -9.211 449 HB ILE 69 HB ILE 69 -11.016 19.313 -9.701 450 HG12 ILE 69 2HG1 ILE 69 -9.556 19.034 -7.098 451 HG13 ILE 69 3HG1 ILE 69 -10.266 20.585 -7.533 452 HG21 ILE 69 1HG2 ILE 69 -9.871 17.426 -10.324 453 HG22 ILE 69 2HG2 ILE 69 -8.513 17.763 -9.253 454 HG23 ILE 69 3HG2 ILE 69 -10.028 17.152 -8.589 455 HD11 ILE 69 3HD1 ILE 69 -11.531 18.144 -6.591 456 HD12 ILE 69 1HD1 ILE 69 -12.110 19.810 -6.564 457 HD13 ILE 69 2HD1 ILE 69 -12.312 18.830 -8.016 458 H GLU 70 H GLU 70 -10.245 21.097 -11.826 459 HA GLU 70 HA GLU 70 -9.528 19.127 -13.705 460 HB2 GLU 70 2HB GLU 70 -11.138 21.456 -13.655 461 HB3 GLU 70 3HB GLU 70 -10.027 21.633 -15.006 462 HG2 GLU 70 2HG GLU 70 -11.960 20.598 -15.860 463 HG3 GLU 70 3HG GLU 70 -10.731 19.340 -15.749 464 H ALA 71 H ALA 71 -8.260 22.413 -13.189 465 HA ALA 71 HA ALA 71 -6.366 22.495 -15.193 466 HB1 ALA 71 1HB ALA 71 -6.700 24.488 -14.041 467 HB2 ALA 71 2HB ALA 71 -6.453 23.733 -12.466 468 HB3 ALA 71 3HB ALA 71 -5.082 23.995 -13.543 469 H GLY 72 H GLY 72 -6.184 20.932 -12.042 470 HA2 GLY 72 2HA GLY 72 -4.764 18.845 -12.168 471 HA3 GLY 72 3HA GLY 72 -3.507 19.917 -12.768 472 H TYR 73 H TYR 73 -5.061 21.776 -10.633 473 HA TYR 73 HA TYR 73 -3.013 21.585 -8.677 474 HB2 TYR 73 2HB TYR 73 -5.668 23.001 -8.399 475 HB3 TYR 73 3HB TYR 73 -4.182 23.341 -7.518 476 HD1 TYR 73 HD1 TYR 73 -2.101 23.776 -9.230 477 HD2 TYR 73 HD2 TYR 73 -6.212 24.516 -10.038 478 HE1 TYR 73 HE1 TYR 73 -1.461 25.426 -10.938 479 HE2 TYR 73 HE2 TYR 73 -5.584 26.168 -11.749 480 HH TYR 73 HH TYR 73 -3.845 27.451 -12.519 481 H VAL 74 H VAL 74 -2.842 20.010 -7.236 482 HA VAL 74 HA VAL 74 -5.308 18.921 -6.041 483 HB VAL 74 HB VAL 74 -4.143 16.806 -5.699 484 HG11 VAL 74 1HG1 VAL 74 -5.408 17.025 -7.733 485 HG12 VAL 74 2HG1 VAL 74 -4.051 17.814 -8.540 486 HG13 VAL 74 3HG1 VAL 74 -3.935 16.117 -8.074 487 HG21 VAL 74 3HG2 VAL 74 -1.914 16.908 -5.548 488 HG22 VAL 74 1HG2 VAL 74 -1.918 16.855 -7.311 489 HG23 VAL 74 2HG2 VAL 74 -1.832 18.406 -6.475 490 H LEU 75 H LEU 75 -5.505 19.022 -3.889 491 HA LEU 75 HA LEU 75 -3.604 20.478 -2.349 492 HB2 LEU 75 2HB LEU 75 -6.070 18.934 -1.575 493 HB3 LEU 75 3HB LEU 75 -5.109 19.876 -0.437 494 HG LEU 75 HG LEU 75 -6.711 20.912 -2.771 495 HD11 LEU 75 1HD1 LEU 75 -7.814 22.201 -0.900 496 HD12 LEU 75 2HD1 LEU 75 -6.976 21.123 0.216 497 HD13 LEU 75 3HD1 LEU 75 -8.134 20.467 -0.941 498 HD21 LEU 75 3HD2 LEU 75 -4.615 22.144 -2.603 499 HD22 LEU 75 1HD2 LEU 75 -4.900 22.414 -0.883 500 HD23 LEU 75 2HD2 LEU 75 -5.974 23.140 -2.079 501 H THR 76 H THR 76 -1.731 19.645 -1.717 502 HA THR 76 HA THR 76 -1.171 16.886 -1.544 503 HB THR 76 HB THR 76 0.949 17.536 -0.507 504 HG1 THR 76 HG1 THR 76 1.257 19.507 0.327 505 HG21 THR 76 3HG2 THR 76 0.025 19.242 -2.812 506 HG22 THR 76 1HG2 THR 76 0.922 17.725 -2.876 507 HG23 THR 76 2HG2 THR 76 1.702 19.185 -2.269 508 H CYS 77 H CYS 77 -2.624 19.077 0.660 509 HA CYS 77 HA CYS 77 -1.984 17.594 3.043 510 HB2 CYS 77 2HB CYS 77 -3.368 19.173 4.200 511 HB3 CYS 77 3HB CYS 77 -2.434 20.066 3.005 512 H VAL 78 H VAL 78 -4.113 17.134 0.507 513 HA VAL 78 HA VAL 78 -5.512 15.056 1.962 514 HB VAL 78 HB VAL 78 -7.749 15.856 1.076 515 HG11 VAL 78 1HG1 VAL 78 -6.577 17.731 3.109 516 HG12 VAL 78 2HG1 VAL 78 -8.218 17.088 3.021 517 HG13 VAL 78 3HG1 VAL 78 -6.878 16.030 3.465 518 HG21 VAL 78 3HG2 VAL 78 -7.931 18.318 0.742 519 HG22 VAL 78 1HG2 VAL 78 -6.170 18.400 0.727 520 HG23 VAL 78 2HG2 VAL 78 -7.021 17.492 -0.522 521 H ALA 79 H ALA 79 -3.673 14.655 0.037 522 HA ALA 79 HA ALA 79 -5.280 13.897 -2.316 523 HB1 ALA 79 1HB ALA 79 -3.030 13.995 -3.539 524 HB2 ALA 79 2HB ALA 79 -3.814 15.522 -3.130 525 HB3 ALA 79 3HB ALA 79 -2.469 14.932 -2.153 526 H TYR 80 H TYR 80 -5.317 11.799 -2.834 527 HA TYR 80 HA TYR 80 -3.493 10.000 -1.385 528 HB2 TYR 80 2HB TYR 80 -6.228 9.438 -2.549 529 HB3 TYR 80 3HB TYR 80 -5.213 8.257 -1.729 530 HD1 TYR 80 HD1 TYR 80 -4.315 9.294 0.666 531 HD2 TYR 80 HD2 TYR 80 -7.983 10.212 -1.284 532 HE1 TYR 80 HE1 TYR 80 -5.292 9.950 2.826 533 HE2 TYR 80 HE2 TYR 80 -8.970 10.871 0.870 534 HH TYR 80 HH TYR 80 -7.491 10.178 3.857 535 HA PRO 81 HA PRO 81 -2.067 9.681 -5.735 536 HB2 PRO 81 2HB PRO 81 0.519 9.193 -5.066 537 HB3 PRO 81 3HB PRO 81 -0.153 10.824 -5.178 538 HG2 PRO 81 2HG PRO 81 0.311 9.129 -2.754 539 HG3 PRO 81 3HG PRO 81 0.630 10.858 -2.988 540 HD2 PRO 81 2HD PRO 81 -1.556 9.944 -1.677 541 HD3 PRO 81 3HD PRO 81 -1.572 11.441 -2.632 542 H THR 82 H THR 82 -3.340 7.708 -5.810 543 HA THR 82 HA THR 82 -2.622 5.278 -4.649 544 HB THR 82 HB THR 82 -3.742 4.399 -6.930 545 HG1 THR 82 HG1 THR 82 -5.017 6.895 -6.673 546 HG21 THR 82 3HG2 THR 82 -5.027 5.658 -4.521 547 HG22 THR 82 1HG2 THR 82 -4.785 3.947 -4.871 548 HG23 THR 82 2HG2 THR 82 -5.980 4.873 -5.780 549 H SER 83 H SER 83 -1.199 6.995 -7.272 550 HA SER 83 HA SER 83 0.760 4.850 -7.599 551 HB2 SER 83 2HB SER 83 -1.237 5.476 -9.548 552 HB3 SER 83 3HB SER 83 0.336 5.954 -10.187 553 HG SER 83 HG SER 83 0.178 3.849 -10.703 554 H ASP 84 H ASP 84 2.622 5.657 -9.032 555 HA ASP 84 HA ASP 84 3.872 7.802 -7.832 556 HB2 ASP 84 2HB ASP 84 5.294 7.832 -9.985 557 HB3 ASP 84 3HB ASP 84 5.267 6.350 -9.033 558 H CYS 85 H CYS 85 4.194 9.958 -8.347 559 HA CYS 85 HA CYS 85 2.968 11.164 -10.644 560 HB2 CYS 85 2HB CYS 85 1.495 12.682 -9.260 561 HB3 CYS 85 3HB CYS 85 0.954 11.012 -9.379 562 HG CYS 85 HG CYS 85 0.411 11.859 -6.800 563 H THR 86 H THR 86 3.409 13.462 -10.791 564 HA THR 86 HA THR 86 5.681 14.269 -9.093 565 HB THR 86 HB THR 86 5.184 14.956 -11.997 566 HG1 THR 86 HG1 THR 86 6.477 13.330 -12.394 567 HG21 THR 86 3HG2 THR 86 6.346 16.811 -11.436 568 HG22 THR 86 1HG2 THR 86 7.731 15.722 -11.487 569 HG23 THR 86 2HG2 THR 86 6.964 16.101 -9.945 570 H ILE 87 H ILE 87 4.137 15.254 -7.642 571 HA ILE 87 HA ILE 87 2.407 17.345 -8.508 572 HB ILE 87 HB ILE 87 3.443 16.773 -5.729 573 HG12 ILE 87 2HG1 ILE 87 0.742 16.024 -5.992 574 HG13 ILE 87 3HG1 ILE 87 1.556 15.385 -7.416 575 HG21 ILE 87 1HG2 ILE 87 1.297 17.968 -5.089 576 HG22 ILE 87 2HG2 ILE 87 2.599 18.971 -5.726 577 HG23 ILE 87 3HG2 ILE 87 1.237 18.535 -6.758 578 HD11 ILE 87 3HD1 ILE 87 2.464 14.922 -4.586 579 HD12 ILE 87 1HD1 ILE 87 1.467 13.806 -5.520 580 HD13 ILE 87 2HD1 ILE 87 3.109 14.176 -6.048 581 H GLU 88 H GLU 88 2.822 19.431 -8.855 582 HA GLU 88 HA GLU 88 5.529 20.408 -8.354 583 HB2 GLU 88 2HB GLU 88 3.251 21.435 -10.041 584 HB3 GLU 88 3HB GLU 88 4.711 22.372 -9.756 585 HG2 GLU 88 2HG GLU 88 6.061 20.755 -10.857 586 HG3 GLU 88 3HG GLU 88 4.723 19.611 -10.942 587 H THR 89 H THR 89 5.658 21.017 -6.252 588 HA THR 89 HA THR 89 3.602 22.290 -4.796 589 HB THR 89 HB THR 89 5.187 22.632 -3.058 590 HG1 THR 89 HG1 THR 89 7.061 22.546 -5.166 591 HG21 THR 89 3HG2 THR 89 6.218 20.453 -2.820 592 HG22 THR 89 1HG2 THR 89 6.065 20.157 -4.551 593 HG23 THR 89 2HG2 THR 89 4.621 20.269 -3.545 594 H HIS 90 H HIS 90 4.150 24.489 -3.662 595 HA HIS 90 HA HIS 90 4.206 26.755 -3.863 596 HB2 HIS 90 2HB HIS 90 6.413 26.020 -5.788 597 HB3 HIS 90 3HB HIS 90 6.038 27.683 -5.347 598 HD1 HIS 90 HD1 HIS 90 6.561 24.518 -3.283 599 HD2 HIS 90 HD2 HIS 90 7.827 28.469 -3.495 600 HE1 HIS 90 HE1 HIS 90 8.147 24.820 -1.355 601 H LYS 91 H LYS 91 2.211 25.474 -5.318 602 HA LYS 91 HA LYS 91 2.004 27.198 -7.700 603 HB2 LYS 91 2HB LYS 91 1.170 24.352 -7.263 604 HB3 LYS 91 3HB LYS 91 0.310 25.347 -8.431 605 HG2 LYS 91 2HG LYS 91 3.271 24.802 -8.460 606 HG3 LYS 91 3HG LYS 91 2.069 23.991 -9.466 607 HD2 LYS 91 2HD LYS 91 1.436 26.268 -10.344 608 HD3 LYS 91 3HD LYS 91 2.857 26.899 -9.508 609 HE2 LYS 91 2HE LYS 91 4.283 25.383 -10.797 610 HE3 LYS 91 3HE LYS 91 2.862 24.752 -11.628 611 HZ1 LYS 91 3HZ LYS 91 2.837 27.533 -11.874 612 HZ2 LYS 91 1HZ LYS 91 3.056 26.380 -13.093 613 HZ3 LYS 91 2HZ LYS 91 4.395 27.008 -12.273 614 H GLU 92 H GLU 92 1.255 28.345 -5.418 615 HA GLU 92 HA GLU 92 -1.682 28.099 -5.366 616 HB2 GLU 92 2HB GLU 92 -1.604 29.012 -3.091 617 HB3 GLU 92 3HB GLU 92 -0.666 27.531 -3.219 618 HG2 GLU 92 2HG GLU 92 1.048 28.595 -2.323 619 HG3 GLU 92 3HG GLU 92 1.123 29.614 -3.759 620 H GLU 93 H GLU 93 -0.045 29.678 -7.223 621 HA GLU 93 HA GLU 93 -0.879 32.394 -6.446 622 HB2 GLU 93 2HB GLU 93 1.431 31.356 -8.021 623 HB3 GLU 93 3HB GLU 93 0.770 32.925 -8.458 624 HG2 GLU 93 2HG GLU 93 1.466 32.335 -5.616 625 HG3 GLU 93 3HG GLU 93 2.726 32.772 -6.769 626 H ASP 94 H ASP 94 -1.247 29.855 -8.748 627 HA ASP 94 HA ASP 94 -2.249 31.312 -10.936 628 HB2 ASP 94 2HB ASP 94 -2.315 28.483 -10.046 629 HB3 ASP 94 3HB ASP 94 -3.541 28.968 -11.214 630 H LEU 95 H LEU 95 -3.745 30.167 -7.987 631 HA LEU 95 HA LEU 95 -6.424 30.769 -8.872 632 HB2 LEU 95 2HB LEU 95 -5.500 30.239 -6.058 633 HB3 LEU 95 3HB LEU 95 -7.130 30.070 -6.707 634 HG LEU 95 HG LEU 95 -4.751 28.308 -7.280 635 HD11 LEU 95 1HD1 LEU 95 -6.912 28.235 -5.368 636 HD12 LEU 95 2HD1 LEU 95 -5.483 27.209 -5.495 637 HD13 LEU 95 3HD1 LEU 95 -6.934 26.817 -6.417 638 HD21 LEU 95 3HD2 LEU 95 -6.466 26.961 -8.562 639 HD22 LEU 95 1HD2 LEU 95 -5.921 28.454 -9.327 640 HD23 LEU 95 2HD2 LEU 95 -7.490 28.397 -8.523 641 H TYR 96 H TYR 96 -4.211 32.105 -6.419 642 HA TYR 96 HA TYR 96 -5.899 34.375 -5.932 643 HB2 TYR 96 2HB TYR 96 -3.008 34.015 -5.128 644 HB3 TYR 96 3HB TYR 96 -4.186 35.105 -4.406 645 HD1 TYR 96 HD1 TYR 96 -6.528 33.316 -4.143 646 HD2 TYR 96 HD2 TYR 96 -2.405 32.591 -3.380 647 HE1 TYR 96 HE1 TYR 96 -7.141 31.579 -2.513 648 HE2 TYR 96 HE2 TYR 96 -3.007 30.851 -1.749 649 HH TYR 96 HH TYR 96 -5.677 30.550 -0.283 Start of MODEL 3 1 H1 ALA 1 H ALA 1 -0.348 1.764 -2.962 2 HA ALA 1 HA ALA 1 0.961 0.166 -0.932 3 HB1 ALA 1 1HB ALA 1 0.176 -0.956 -2.917 4 HB2 ALA 1 2HB ALA 1 1.146 0.103 -3.941 5 HB3 ALA 1 3HB ALA 1 1.937 -1.041 -2.856 6 H SER 2 H SER 2 1.547 3.084 -1.260 7 HA SER 2 HA SER 2 3.343 4.471 -1.090 8 HB2 SER 2 2HB SER 2 4.548 3.389 0.495 9 HB3 SER 2 3HB SER 2 4.391 1.829 -0.312 10 HG SER 2 HG SER 2 6.343 2.121 -0.997 11 H TYR 3 H TYR 3 3.565 5.475 -2.999 12 HA TYR 3 HA TYR 3 5.223 4.152 -5.044 13 HB2 TYR 3 2HB TYR 3 2.710 5.761 -5.330 14 HB3 TYR 3 3HB TYR 3 3.892 5.750 -6.634 15 HD1 TYR 3 HD1 TYR 3 4.325 3.713 -7.906 16 HD2 TYR 3 HD2 TYR 3 1.413 3.786 -4.804 17 HE1 TYR 3 HE1 TYR 3 3.391 1.596 -8.740 18 HE2 TYR 3 HE2 TYR 3 0.472 1.669 -5.629 19 HH TYR 3 HH TYR 3 0.459 0.471 -8.022 20 H THR 4 H THR 4 6.502 5.579 -6.379 21 HA THR 4 HA THR 4 7.884 7.531 -4.881 22 HB THR 4 HB THR 4 9.087 6.377 -6.592 23 HG1 THR 4 HG1 THR 4 9.776 8.511 -6.352 24 HG21 THR 4 3HG2 THR 4 6.709 6.771 -8.110 25 HG22 THR 4 1HG2 THR 4 8.110 5.775 -8.500 26 HG23 THR 4 2HG2 THR 4 8.062 7.465 -9.004 27 H VAL 5 H VAL 5 7.115 9.463 -4.347 28 HA VAL 5 HA VAL 5 5.393 10.883 -6.269 29 HB VAL 5 HB VAL 5 5.608 11.245 -3.277 30 HG11 VAL 5 1HG1 VAL 5 4.611 12.984 -5.346 31 HG12 VAL 5 2HG1 VAL 5 3.317 12.516 -4.241 32 HG13 VAL 5 3HG1 VAL 5 4.779 13.280 -3.616 33 HG21 VAL 5 3HG2 VAL 5 3.181 10.488 -3.412 34 HG22 VAL 5 1HG2 VAL 5 3.559 9.939 -5.045 35 HG23 VAL 5 2HG2 VAL 5 4.415 9.253 -3.664 36 H LYS 6 H LYS 6 6.678 12.163 -7.461 37 HA LYS 6 HA LYS 6 9.001 13.459 -6.370 38 HB2 LYS 6 2HB LYS 6 8.701 12.635 -8.771 39 HB3 LYS 6 3HB LYS 6 7.704 14.062 -9.023 40 HG2 LYS 6 2HG LYS 6 9.628 15.010 -9.656 41 HG3 LYS 6 3HG LYS 6 9.916 15.172 -7.922 42 HD2 LYS 6 2HD LYS 6 11.566 13.650 -7.939 43 HD3 LYS 6 3HD LYS 6 10.684 12.569 -9.020 44 HE2 LYS 6 2HE LYS 6 11.914 13.237 -10.744 45 HE3 LYS 6 3HE LYS 6 11.455 14.915 -10.458 46 HZ1 LYS 6 3HZ LYS 6 13.650 15.139 -10.099 47 HZ2 LYS 6 1HZ LYS 6 13.884 13.507 -9.721 48 HZ3 LYS 6 2HZ LYS 6 13.276 14.567 -8.552 49 H LEU 7 H LEU 7 8.983 15.289 -5.258 50 HA LEU 7 HA LEU 7 6.689 17.103 -5.555 51 HB2 LEU 7 2HB LEU 7 8.567 16.519 -3.301 52 HB3 LEU 7 3HB LEU 7 7.696 18.050 -3.358 53 HG LEU 7 HG LEU 7 6.406 15.323 -3.305 54 HD11 LEU 7 1HD1 LEU 7 6.974 15.384 -1.141 55 HD12 LEU 7 2HD1 LEU 7 5.696 16.591 -1.003 56 HD13 LEU 7 3HD1 LEU 7 7.373 17.101 -1.192 57 HD21 LEU 7 3HD2 LEU 7 4.863 16.702 -4.346 58 HD22 LEU 7 1HD2 LEU 7 5.357 18.122 -3.424 59 HD23 LEU 7 2HD2 LEU 7 4.419 16.848 -2.645 60 H ILE 8 H ILE 8 7.297 18.402 -7.234 61 HA ILE 8 HA ILE 8 9.912 19.464 -7.554 62 HB ILE 8 HB ILE 8 7.380 20.613 -8.719 63 HG12 ILE 8 2HG1 ILE 8 7.411 18.219 -9.171 64 HG13 ILE 8 3HG1 ILE 8 7.774 19.111 -10.645 65 HG21 ILE 8 1HG2 ILE 8 9.199 22.062 -9.111 66 HG22 ILE 8 2HG2 ILE 8 10.284 20.723 -9.482 67 HG23 ILE 8 3HG2 ILE 8 8.991 21.146 -10.604 68 HD11 ILE 8 3HD1 ILE 8 9.304 17.094 -9.324 69 HD12 ILE 8 1HD1 ILE 8 9.577 17.861 -10.888 70 HD13 ILE 8 2HD1 ILE 8 10.240 18.585 -9.422 71 H THR 9 H THR 9 10.830 21.239 -6.733 72 HA THR 9 HA THR 9 9.152 23.314 -5.532 73 HB THR 9 HB THR 9 10.276 23.355 -3.459 74 HG1 THR 9 HG1 THR 9 12.029 21.260 -4.145 75 HG21 THR 9 3HG2 THR 9 8.708 21.319 -4.030 76 HG22 THR 9 1HG2 THR 9 9.575 21.386 -2.496 77 HG23 THR 9 2HG2 THR 9 10.194 20.394 -3.816 78 HA PRO 10 HA PRO 10 12.013 26.090 -7.376 79 HB2 PRO 10 2HB PRO 10 11.860 28.194 -5.668 80 HB3 PRO 10 3HB PRO 10 10.564 27.774 -6.793 81 HG2 PRO 10 2HG PRO 10 10.811 27.157 -3.875 82 HG3 PRO 10 3HG PRO 10 9.393 27.709 -4.785 83 HD2 PRO 10 2HD PRO 10 9.761 25.118 -4.092 84 HD3 PRO 10 3HD PRO 10 8.928 25.598 -5.584 85 H ASP 11 H ASP 11 12.564 24.704 -4.338 86 HA ASP 11 HA ASP 11 15.253 25.888 -4.163 87 HB2 ASP 11 2HB ASP 11 13.414 25.781 -2.196 88 HB3 ASP 11 3HB ASP 11 14.222 24.240 -1.925 89 H GLY 12 H GLY 12 14.141 23.548 -5.812 90 HA2 GLY 12 2HA GLY 12 16.034 21.987 -6.491 91 HA3 GLY 12 3HA GLY 12 15.980 21.467 -4.813 92 H GLU 13 H GLU 13 15.705 19.404 -6.217 93 HA GLU 13 HA GLU 13 12.812 18.920 -6.500 94 HB2 GLU 13 2HB GLU 13 15.091 18.021 -8.242 95 HB3 GLU 13 3HB GLU 13 13.580 17.123 -8.194 96 HG2 GLU 13 2HG GLU 13 12.364 19.107 -8.909 97 HG3 GLU 13 3HG GLU 13 13.868 20.026 -8.935 98 H SER 14 H SER 14 12.013 17.306 -5.316 99 HA SER 14 HA SER 14 13.894 15.344 -4.179 100 HB2 SER 14 2HB SER 14 12.034 17.155 -2.832 101 HB3 SER 14 3HB SER 14 11.821 15.471 -2.355 102 HG SER 14 HG SER 14 14.344 16.756 -2.412 103 H SER 15 H SER 15 12.780 13.333 -3.412 104 HA SER 15 HA SER 15 10.315 12.706 -4.847 105 HB2 SER 15 2HB SER 15 11.902 10.436 -5.250 106 HB3 SER 15 3HB SER 15 11.398 11.601 -6.474 107 HG SER 15 HG SER 15 13.314 12.599 -6.343 108 H ILE 16 H ILE 16 9.255 12.469 -2.899 109 HA ILE 16 HA ILE 16 10.311 10.594 -0.932 110 HB ILE 16 HB ILE 16 8.375 11.266 0.446 111 HG12 ILE 16 2HG1 ILE 16 7.772 13.390 -1.594 112 HG13 ILE 16 3HG1 ILE 16 6.995 11.813 -1.688 113 HG21 ILE 16 1HG2 ILE 16 10.511 12.474 0.575 114 HG22 ILE 16 2HG2 ILE 16 9.934 13.602 -0.651 115 HG23 ILE 16 3HG2 ILE 16 9.134 13.522 0.919 116 HD11 ILE 16 3HD1 ILE 16 5.805 12.140 0.258 117 HD12 ILE 16 1HD1 ILE 16 6.916 13.373 0.854 118 HD13 ILE 16 2HD1 ILE 16 5.807 13.748 -0.465 119 H GLU 17 H GLU 17 8.274 9.343 0.153 120 HA GLU 17 HA GLU 17 6.879 7.951 -2.034 121 HB2 GLU 17 2HB GLU 17 8.933 6.818 -0.716 122 HB3 GLU 17 3HB GLU 17 7.619 6.376 0.365 123 HG2 GLU 17 2HG GLU 17 6.483 5.206 -1.362 124 HG3 GLU 17 3HG GLU 17 7.581 5.833 -2.590 125 H CYS 18 H CYS 18 4.757 8.110 -1.813 126 HA CYS 18 HA CYS 18 3.636 8.311 0.905 127 HB2 CYS 18 2HB CYS 18 3.386 10.395 -0.394 128 HB3 CYS 18 3HB CYS 18 2.536 9.501 -1.649 129 HG CYS 18 HG CYS 18 0.357 10.459 -0.589 130 H SER 19 H SER 19 1.927 7.030 1.445 131 HA SER 19 HA SER 19 1.404 4.785 -0.319 132 HB2 SER 19 2HB SER 19 1.748 4.870 2.343 133 HB3 SER 19 3HB SER 19 -0.008 5.020 2.286 134 HG SER 19 HG SER 19 0.387 2.866 2.314 135 H ASP 20 H ASP 20 -0.766 4.042 -0.771 136 HA ASP 20 HA ASP 20 -2.409 6.012 -1.875 137 HB2 ASP 20 2HB ASP 20 -2.361 3.584 -2.519 138 HB3 ASP 20 3HB ASP 20 -3.279 3.235 -1.057 139 H ASP 21 H ASP 21 -2.272 4.711 1.328 140 HA ASP 21 HA ASP 21 -4.769 6.099 2.033 141 HB2 ASP 21 2HB ASP 21 -4.223 3.551 2.566 142 HB3 ASP 21 3HB ASP 21 -3.412 4.268 3.955 143 H THR 22 H THR 22 -2.586 7.705 1.605 144 HA THR 22 HA THR 22 -2.250 8.882 4.229 145 HB THR 22 HB THR 22 0.302 8.573 2.723 146 HG1 THR 22 HG1 THR 22 0.665 6.553 3.637 147 HG21 THR 22 3HG2 THR 22 0.575 9.902 4.599 148 HG22 THR 22 1HG2 THR 22 1.030 8.314 5.216 149 HG23 THR 22 2HG2 THR 22 -0.573 8.967 5.556 150 H TYR 23 H TYR 23 -1.030 10.998 4.060 151 HA TYR 23 HA TYR 23 -1.856 12.340 1.583 152 HB2 TYR 23 2HB TYR 23 -1.075 13.682 4.169 153 HB3 TYR 23 3HB TYR 23 -1.987 14.363 2.826 154 HD1 TYR 23 HD2 TYR 23 -4.286 13.275 2.323 155 HD2 TYR 23 HD1 TYR 23 -2.200 12.789 5.999 156 HE1 TYR 23 HE2 TYR 23 -6.391 12.644 3.427 157 HE2 TYR 23 HE1 TYR 23 -4.299 12.156 7.113 158 HH TYR 23 HH TYR 23 -7.299 12.702 5.831 159 H ILE 24 H ILE 24 -0.427 13.308 0.266 160 HA ILE 24 HA ILE 24 2.260 12.661 0.264 161 HB ILE 24 HB ILE 24 0.995 15.112 -0.968 162 HG12 ILE 24 2HG1 ILE 24 1.646 12.852 -2.704 163 HG13 ILE 24 3HG1 ILE 24 0.442 12.451 -1.484 164 HG21 ILE 24 1HG2 ILE 24 3.578 13.706 -1.636 165 HG22 ILE 24 2HG2 ILE 24 2.888 15.072 -2.510 166 HG23 ILE 24 3HG2 ILE 24 3.428 15.274 -0.844 167 HD11 ILE 24 3HD1 ILE 24 -0.440 14.865 -2.430 168 HD12 ILE 24 1HD1 ILE 24 0.213 14.089 -3.873 169 HD13 ILE 24 2HD1 ILE 24 -1.034 13.280 -2.923 170 H LEU 25 H LEU 25 0.627 15.351 1.804 171 HA LEU 25 HA LEU 25 2.888 16.930 2.372 172 HB2 LEU 25 2HB LEU 25 0.683 17.854 2.548 173 HB3 LEU 25 3HB LEU 25 0.235 16.670 3.775 174 HG LEU 25 HG LEU 25 1.763 17.718 5.360 175 HD11 LEU 25 1HD1 LEU 25 3.371 18.513 3.602 176 HD12 LEU 25 2HD1 LEU 25 3.002 19.681 4.870 177 HD13 LEU 25 3HD1 LEU 25 2.253 19.838 3.282 178 HD21 LEU 25 3HD2 LEU 25 0.481 19.655 5.807 179 HD22 LEU 25 1HD2 LEU 25 -0.614 18.507 5.036 180 HD23 LEU 25 2HD2 LEU 25 0.050 19.851 4.108 181 H ASP 26 H ASP 26 1.293 14.344 4.186 182 HA ASP 26 HA ASP 26 2.810 14.534 6.537 183 HB2 ASP 26 2HB ASP 26 0.775 12.875 5.559 184 HB3 ASP 26 3HB ASP 26 2.118 11.793 5.915 185 H ALA 27 H ALA 27 3.285 12.498 3.659 186 HA ALA 27 HA ALA 27 5.686 11.304 4.585 187 HB1 ALA 27 1HB ALA 27 4.407 10.192 2.897 188 HB2 ALA 27 2HB ALA 27 4.540 11.576 1.811 189 HB3 ALA 27 3HB ALA 27 5.971 10.622 2.203 190 H ALA 28 H ALA 28 4.964 14.315 3.039 191 HA ALA 28 HA ALA 28 7.609 14.816 2.054 192 HB1 ALA 28 1HB ALA 28 5.803 15.905 0.949 193 HB2 ALA 28 2HB ALA 28 5.226 16.612 2.459 194 HB3 ALA 28 3HB ALA 28 6.752 17.152 1.760 195 H GLU 29 H GLU 29 5.722 16.434 4.621 196 HA GLU 29 HA GLU 29 7.842 17.846 5.739 197 HB2 GLU 29 2HB GLU 29 6.441 18.145 7.689 198 HB3 GLU 29 3HB GLU 29 5.454 18.262 6.239 199 HG2 GLU 29 2HG GLU 29 4.086 16.861 7.302 200 HG3 GLU 29 3HG GLU 29 5.239 15.617 6.823 201 H GLU 30 H GLU 30 6.804 14.539 6.237 202 HA GLU 30 HA GLU 30 8.333 14.027 8.565 203 HB2 GLU 30 2HB GLU 30 6.510 12.563 7.993 204 HB3 GLU 30 3HB GLU 30 7.239 12.181 6.440 205 HG2 GLU 30 2HG GLU 30 7.516 10.356 8.014 206 HG3 GLU 30 3HG GLU 30 9.074 11.046 7.562 207 H ALA 31 H ALA 31 9.001 13.712 5.116 208 HA ALA 31 HA ALA 31 11.577 12.501 5.518 209 HB1 ALA 31 1HB ALA 31 9.871 12.551 3.424 210 HB2 ALA 31 2HB ALA 31 11.028 13.787 2.930 211 HB3 ALA 31 3HB ALA 31 11.585 12.154 3.294 212 H GLY 32 H GLY 32 10.327 15.733 5.209 213 HA2 GLY 32 2HA GLY 32 11.688 17.520 6.165 214 HA3 GLY 32 3HA GLY 32 13.090 16.752 5.434 215 H LEU 33 H LEU 33 10.049 17.093 3.745 216 HA LEU 33 HA LEU 33 11.348 18.531 1.622 217 HB2 LEU 33 2HB LEU 33 8.724 17.260 2.076 218 HB3 LEU 33 3HB LEU 33 8.744 18.611 0.945 219 HG LEU 33 HG LEU 33 8.943 16.361 -0.113 220 HD11 LEU 33 1HD1 LEU 33 11.483 17.811 -0.662 221 HD12 LEU 33 2HD1 LEU 33 9.952 18.644 -0.931 222 HD13 LEU 33 3HD1 LEU 33 10.298 17.139 -1.783 223 HD21 LEU 33 3HD2 LEU 33 11.666 16.362 1.187 224 HD22 LEU 33 1HD2 LEU 33 11.052 15.171 0.039 225 HD23 LEU 33 2HD2 LEU 33 10.318 15.316 1.637 226 H ASP 34 H ASP 34 9.012 19.266 4.154 227 HA ASP 34 HA ASP 34 8.187 21.227 4.960 228 HB2 ASP 34 2HB ASP 34 10.625 22.432 3.632 229 HB3 ASP 34 3HB ASP 34 9.655 23.178 4.900 230 H LEU 35 H LEU 35 6.626 20.639 3.072 231 HA LEU 35 HA LEU 35 6.659 22.438 0.827 232 HB2 LEU 35 2HB LEU 35 5.107 20.132 1.710 233 HB3 LEU 35 3HB LEU 35 4.127 21.372 0.930 234 HG LEU 35 HG LEU 35 5.384 21.190 -1.095 235 HD11 LEU 35 1HD1 LEU 35 7.381 20.044 0.654 236 HD12 LEU 35 2HD1 LEU 35 7.557 20.747 -0.954 237 HD13 LEU 35 3HD1 LEU 35 7.117 19.048 -0.778 238 HD21 LEU 35 3HD2 LEU 35 4.695 19.088 -1.803 239 HD22 LEU 35 1HD2 LEU 35 3.649 19.404 -0.418 240 HD23 LEU 35 2HD2 LEU 35 5.044 18.338 -0.245 241 HA PRO 36 HA PRO 36 4.304 25.791 2.397 242 HB2 PRO 36 2HB PRO 36 2.685 26.400 0.305 243 HB3 PRO 36 3HB PRO 36 4.421 26.731 0.304 244 HG2 PRO 36 2HG PRO 36 2.926 24.458 -0.944 245 HG3 PRO 36 3HG PRO 36 4.257 25.421 -1.610 246 HD2 PRO 36 2HD PRO 36 4.630 22.959 -0.547 247 HD3 PRO 36 3HD PRO 36 5.860 24.235 -0.454 248 H TYR 37 H TYR 37 3.249 24.231 3.938 249 HA TYR 37 HA TYR 37 0.397 23.881 3.287 250 HB2 TYR 37 2HB TYR 37 0.323 21.943 4.605 251 HB3 TYR 37 3HB TYR 37 1.862 21.813 3.760 252 HD1 TYR 37 HD2 TYR 37 0.250 22.416 6.999 253 HD2 TYR 37 HD1 TYR 37 3.958 21.997 4.954 254 HE1 TYR 37 HE2 TYR 37 1.407 22.178 9.156 255 HE2 TYR 37 HE1 TYR 37 5.125 21.756 7.106 256 HH TYR 37 HH TYR 37 4.226 20.898 9.599 257 H SER 38 H SER 38 -1.116 24.146 5.061 258 HA SER 38 HA SER 38 -0.169 25.663 7.362 259 HB2 SER 38 2HB SER 38 -0.637 27.378 5.659 260 HB3 SER 38 3HB SER 38 -2.269 26.740 5.464 261 HG SER 38 HG SER 38 -1.158 28.188 7.588 262 H CYS 39 H CYS 39 -2.903 24.222 5.645 263 HA CYS 39 HA CYS 39 -4.401 23.943 8.127 264 HB2 CYS 39 2HB CYS 39 -6.238 23.221 6.763 265 HB3 CYS 39 3HB CYS 39 -5.510 24.619 5.978 266 H ARG 40 H ARG 40 -2.643 21.986 5.805 267 HA ARG 40 HA ARG 40 -2.253 19.720 5.699 268 HB2 ARG 40 2HB ARG 40 -1.079 18.899 7.664 269 HB3 ARG 40 3HB ARG 40 -0.610 20.562 7.332 270 HG2 ARG 40 2HG ARG 40 -1.768 21.387 9.170 271 HG3 ARG 40 3HG ARG 40 -2.774 19.944 9.303 272 HD2 ARG 40 2HD ARG 40 -0.224 18.955 9.599 273 HD3 ARG 40 3HD ARG 40 -0.144 20.509 10.428 274 HE ARG 40 HE ARG 40 -1.516 18.166 11.305 275 HH11 ARG 40 1HH1 ARG 40 -1.578 21.646 11.371 276 HH12 ARG 40 2HH1 ARG 40 -2.462 21.732 12.859 277 HH21 ARG 40 1HH2 ARG 40 -2.680 18.266 13.265 278 HH22 ARG 40 2HH2 ARG 40 -3.087 19.809 13.936 279 H ALA 41 H ALA 41 -4.993 20.174 5.913 280 HA ALA 41 HA ALA 41 -5.816 17.693 7.190 281 HB1 ALA 41 1HB ALA 41 -7.884 19.264 7.990 282 HB2 ALA 41 2HB ALA 41 -6.533 18.782 9.016 283 HB3 ALA 41 3HB ALA 41 -6.513 20.352 8.212 284 H GLY 42 H GLY 42 -6.674 20.506 5.232 285 HA2 GLY 42 2HA GLY 42 -7.490 19.786 2.949 286 HA3 GLY 42 3HA GLY 42 -8.672 18.837 3.838 287 H ALA 43 H ALA 43 -7.524 22.171 3.411 288 HA ALA 43 HA ALA 43 -10.056 23.225 2.860 289 HB1 ALA 43 1HB ALA 43 -10.201 24.584 5.076 290 HB2 ALA 43 2HB ALA 43 -10.839 22.940 5.011 291 HB3 ALA 43 3HB ALA 43 -9.262 23.246 5.739 292 H CYS 44 H CYS 44 -7.436 23.482 1.870 293 HA CYS 44 HA CYS 44 -7.196 26.364 1.893 294 HB2 CYS 44 2HB CYS 44 -5.116 26.585 2.839 295 HB3 CYS 44 3HB CYS 44 -5.716 25.219 3.775 296 H SER 45 H SER 45 -5.134 26.925 0.456 297 HA SER 45 HA SER 45 -4.967 25.028 -1.776 298 HB2 SER 45 2HB SER 45 -5.839 26.440 -3.320 299 HB3 SER 45 3HB SER 45 -6.604 27.205 -1.928 300 HG SER 45 HG SER 45 -5.062 28.766 -1.930 301 H THR 46 H THR 46 -3.297 26.470 0.495 302 HA THR 46 HA THR 46 -1.160 27.677 -1.014 303 HB THR 46 HB THR 46 -1.827 28.316 1.362 304 HG1 THR 46 HG1 THR 46 0.060 29.193 0.733 305 HG21 THR 46 3HG2 THR 46 -1.488 25.661 1.892 306 HG22 THR 46 1HG2 THR 46 -1.481 26.938 3.108 307 HG23 THR 46 2HG2 THR 46 0.042 26.335 2.454 308 H CYS 47 H CYS 47 -1.970 24.519 0.094 309 HA CYS 47 HA CYS 47 0.767 23.556 -0.321 310 HB2 CYS 47 2HB CYS 47 0.013 21.479 0.721 311 HB3 CYS 47 3HB CYS 47 -0.364 22.856 1.750 312 H ALA 48 H ALA 48 -2.210 23.815 -1.906 313 HA ALA 48 HA ALA 48 -2.454 21.524 -3.412 314 HB1 ALA 48 1HB ALA 48 -3.917 23.646 -3.360 315 HB2 ALA 48 2HB ALA 48 -2.874 24.212 -4.665 316 HB3 ALA 48 3HB ALA 48 -3.810 22.730 -4.864 317 H GLY 49 H GLY 49 -1.586 20.741 -5.306 318 HA2 GLY 49 2HA GLY 49 0.693 22.231 -6.436 319 HA3 GLY 49 3HA GLY 49 0.860 20.535 -6.010 320 H LYS 50 H LYS 50 0.885 22.198 -8.604 321 HA LYS 50 HA LYS 50 -1.297 21.160 -10.143 322 HB2 LYS 50 2HB LYS 50 -0.150 23.298 -10.676 323 HB3 LYS 50 3HB LYS 50 1.296 22.390 -11.095 324 HG2 LYS 50 2HG LYS 50 0.218 21.376 -12.956 325 HG3 LYS 50 3HG LYS 50 -1.356 22.000 -12.458 326 HD2 LYS 50 2HD LYS 50 -0.995 23.968 -13.456 327 HD3 LYS 50 3HD LYS 50 0.626 24.104 -12.772 328 HE2 LYS 50 2HE LYS 50 1.619 23.122 -14.582 329 HE3 LYS 50 3HE LYS 50 0.200 22.150 -14.970 330 HZ1 LYS 50 3HZ LYS 50 -0.890 24.204 -15.743 331 HZ2 LYS 50 1HZ LYS 50 0.495 23.824 -16.637 332 HZ3 LYS 50 2HZ LYS 50 0.549 25.054 -15.478 333 H ILE 51 H ILE 51 -1.432 19.040 -10.513 334 HA ILE 51 HA ILE 51 1.025 17.541 -11.102 335 HB ILE 51 HB ILE 51 -1.008 16.910 -9.382 336 HG12 ILE 51 2HG1 ILE 51 1.190 15.912 -9.318 337 HG13 ILE 51 3HG1 ILE 51 -0.005 14.622 -9.395 338 HG21 ILE 51 1HG2 ILE 51 -2.511 16.534 -11.320 339 HG22 ILE 51 2HG2 ILE 51 -1.438 15.240 -11.852 340 HG23 ILE 51 3HG2 ILE 51 -2.289 15.103 -10.314 341 HD11 ILE 51 3HD1 ILE 51 1.949 15.525 -11.448 342 HD12 ILE 51 1HD1 ILE 51 1.557 13.895 -10.901 343 HD13 ILE 51 2HD1 ILE 51 0.444 14.762 -11.960 344 H THR 52 H THR 52 1.323 16.505 -13.009 345 HA THR 52 HA THR 52 -0.866 16.575 -14.974 346 HB THR 52 HB THR 52 0.497 18.389 -15.661 347 HG1 THR 52 HG1 THR 52 -0.012 16.651 -17.267 348 HG21 THR 52 3HG2 THR 52 2.464 17.891 -14.289 349 HG22 THR 52 1HG2 THR 52 2.921 18.223 -15.959 350 HG23 THR 52 2HG2 THR 52 2.885 16.562 -15.368 351 H ALA 53 H ALA 53 2.218 15.155 -13.998 352 HA ALA 53 HA ALA 53 1.646 12.812 -15.679 353 HB1 ALA 53 1HB ALA 53 4.250 13.278 -14.276 354 HB2 ALA 53 2HB ALA 53 3.919 12.337 -15.731 355 HB3 ALA 53 3HB ALA 53 3.878 14.099 -15.792 356 H GLY 54 H GLY 54 -0.005 12.179 -14.075 357 HA2 GLY 54 2HA GLY 54 0.639 10.030 -12.556 358 HA3 GLY 54 3HA GLY 54 0.893 11.373 -11.451 359 H SER 55 H SER 55 -0.779 10.537 -10.114 360 HA SER 55 HA SER 55 -3.344 11.643 -10.698 361 HB2 SER 55 2HB SER 55 -2.969 8.658 -10.838 362 HB3 SER 55 3HB SER 55 -4.522 9.369 -10.401 363 HG SER 55 HG SER 55 -4.550 9.103 -12.590 364 H VAL 56 H VAL 56 -4.764 11.603 -8.888 365 HA VAL 56 HA VAL 56 -3.834 10.389 -6.421 366 HB VAL 56 HB VAL 56 -3.922 12.518 -5.160 367 HG11 VAL 56 1HG1 VAL 56 -1.897 12.461 -7.395 368 HG12 VAL 56 2HG1 VAL 56 -1.740 13.361 -5.885 369 HG13 VAL 56 3HG1 VAL 56 -1.777 11.597 -5.863 370 HG21 VAL 56 3HG2 VAL 56 -5.212 13.993 -6.400 371 HG22 VAL 56 1HG2 VAL 56 -3.578 14.602 -6.664 372 HG23 VAL 56 2HG2 VAL 56 -4.367 13.627 -7.904 373 H ASP 57 H ASP 57 -5.393 10.963 -4.584 374 HA ASP 57 HA ASP 57 -8.126 11.250 -5.645 375 HB2 ASP 57 2HB ASP 57 -6.981 8.973 -4.395 376 HB3 ASP 57 3HB ASP 57 -8.136 9.667 -3.260 377 H GLN 58 H GLN 58 -8.907 13.114 -4.921 378 HA GLN 58 HA GLN 58 -8.434 13.821 -2.102 379 HB2 GLN 58 2HB GLN 58 -8.704 16.239 -2.947 380 HB3 GLN 58 3HB GLN 58 -7.175 15.423 -3.245 381 HG2 GLN 58 2HG GLN 58 -7.556 15.230 -5.499 382 HG3 GLN 58 3HG GLN 58 -9.308 15.311 -5.319 383 HE21 GLN 58 1HE2 GLN 58 -6.958 16.883 -6.702 384 HE22 GLN 58 2HE2 GLN 58 -7.452 18.525 -6.488 385 H SER 59 H SER 59 -10.479 12.518 -1.944 386 HA SER 59 HA SER 59 -12.865 13.971 -2.807 387 HB2 SER 59 2HB SER 59 -12.322 11.180 -1.879 388 HB3 SER 59 3HB SER 59 -13.945 11.840 -1.675 389 HG SER 59 HG SER 59 -12.782 10.897 -3.896 390 H ASP 60 H ASP 60 -10.923 14.575 -0.477 391 HA ASP 60 HA ASP 60 -12.999 14.826 1.601 392 HB2 ASP 60 2HB ASP 60 -10.089 14.182 1.775 393 HB3 ASP 60 3HB ASP 60 -10.821 15.103 3.086 394 H GLN 61 H GLN 61 -10.956 16.464 -0.536 395 HA GLN 61 HA GLN 61 -10.231 18.779 0.772 396 HB2 GLN 61 2HB GLN 61 -10.255 19.873 -1.416 397 HB3 GLN 61 3HB GLN 61 -9.554 18.264 -1.523 398 HG2 GLN 61 2HG GLN 61 -10.906 18.350 -3.385 399 HG3 GLN 61 3HG GLN 61 -11.929 17.527 -2.209 400 HE21 GLN 61 1HE2 GLN 61 -11.127 20.899 -2.988 401 HE22 GLN 61 2HE2 GLN 61 -12.763 21.451 -3.054 402 H SER 62 H SER 62 -11.211 20.998 0.384 403 HA SER 62 HA SER 62 -14.090 21.102 0.191 404 HB2 SER 62 2HB SER 62 -13.510 20.459 2.607 405 HB3 SER 62 3HB SER 62 -12.860 22.090 2.761 406 HG SER 62 HG SER 62 -15.406 21.286 2.893 407 H PHE 63 H PHE 63 -11.630 22.236 -1.059 408 HA PHE 63 HA PHE 63 -12.322 25.083 -0.747 409 HB2 PHE 63 2HB PHE 63 -10.115 24.738 0.178 410 HB3 PHE 63 3HB PHE 63 -9.605 23.861 -1.261 411 HD1 PHE 63 HD2 PHE 63 -9.203 25.052 -3.364 412 HD2 PHE 63 HD1 PHE 63 -10.174 27.122 0.226 413 HE1 PHE 63 HE2 PHE 63 -8.404 27.154 -4.364 414 HE2 PHE 63 HE1 PHE 63 -9.377 29.227 -0.768 415 HZ PHE 63 HZ PHE 63 -8.490 29.245 -3.065 416 H LEU 64 H LEU 64 -10.720 22.820 -2.991 417 HA LEU 64 HA LEU 64 -11.083 24.376 -5.296 418 HB2 LEU 64 2HB LEU 64 -10.979 21.371 -5.235 419 HB3 LEU 64 3HB LEU 64 -10.476 22.444 -6.539 420 HG LEU 64 HG LEU 64 -9.099 22.196 -3.864 421 HD11 LEU 64 1HD1 LEU 64 -8.139 21.214 -6.541 422 HD12 LEU 64 2HD1 LEU 64 -8.960 20.186 -5.367 423 HD13 LEU 64 3HD1 LEU 64 -7.417 20.934 -4.957 424 HD21 LEU 64 3HD2 LEU 64 -9.062 24.330 -5.549 425 HD22 LEU 64 1HD2 LEU 64 -7.707 23.379 -6.158 426 HD23 LEU 64 2HD2 LEU 64 -7.743 23.879 -4.467 427 H ASP 65 H ASP 65 -12.480 23.888 -7.146 428 HA ASP 65 HA ASP 65 -15.143 22.978 -6.273 429 HB2 ASP 65 2HB ASP 65 -14.315 25.187 -8.140 430 HB3 ASP 65 3HB ASP 65 -15.926 24.480 -8.226 431 H ASP 66 H ASP 66 -13.720 23.631 -9.463 432 HA ASP 66 HA ASP 66 -13.862 20.822 -10.177 433 HB2 ASP 66 2HB ASP 66 -16.143 22.072 -10.597 434 HB3 ASP 66 3HB ASP 66 -15.301 22.698 -12.011 435 H ASP 67 H ASP 67 -13.364 24.134 -11.357 436 HA ASP 67 HA ASP 67 -11.712 23.412 -13.538 437 HB2 ASP 67 2HB ASP 67 -12.946 25.654 -13.024 438 HB3 ASP 67 3HB ASP 67 -11.475 26.057 -12.143 439 H GLN 68 H GLN 68 -11.117 23.832 -10.154 440 HA GLN 68 HA GLN 68 -8.295 24.213 -10.341 441 HB2 GLN 68 2HB GLN 68 -10.286 23.941 -8.228 442 HB3 GLN 68 3HB GLN 68 -8.773 23.137 -7.834 443 HG2 GLN 68 2HG GLN 68 -9.060 25.567 -7.120 444 HG3 GLN 68 3HG GLN 68 -7.555 25.113 -7.918 445 HE21 GLN 68 1HE2 GLN 68 -10.536 26.864 -8.195 446 HE22 GLN 68 2HE2 GLN 68 -10.121 27.754 -9.616 447 H ILE 69 H ILE 69 -10.231 21.422 -9.247 448 HA ILE 69 HA ILE 69 -8.069 19.622 -9.156 449 HB ILE 69 HB ILE 69 -11.007 19.025 -9.521 450 HG12 ILE 69 2HG1 ILE 69 -9.610 18.620 -6.933 451 HG13 ILE 69 3HG1 ILE 69 -9.917 20.286 -7.409 452 HG21 ILE 69 1HG2 ILE 69 -8.621 17.303 -9.150 453 HG22 ILE 69 2HG2 ILE 69 -10.097 16.855 -8.295 454 HG23 ILE 69 3HG2 ILE 69 -10.106 17.003 -10.052 455 HD11 ILE 69 3HD1 ILE 69 -12.219 20.006 -7.348 456 HD12 ILE 69 1HD1 ILE 69 -12.106 18.249 -7.442 457 HD13 ILE 69 2HD1 ILE 69 -11.649 19.085 -5.957 458 H GLU 70 H GLU 70 -10.151 20.660 -11.752 459 HA GLU 70 HA GLU 70 -9.556 18.535 -13.547 460 HB2 GLU 70 2HB GLU 70 -11.540 20.048 -13.728 461 HB3 GLU 70 3HB GLU 70 -10.455 21.339 -14.224 462 HG2 GLU 70 2HG GLU 70 -10.133 20.470 -16.292 463 HG3 GLU 70 3HG GLU 70 -10.322 18.805 -15.744 464 H ALA 71 H ALA 71 -8.361 21.880 -13.299 465 HA ALA 71 HA ALA 71 -6.571 21.882 -15.397 466 HB1 ALA 71 1HB ALA 71 -7.243 23.755 -13.727 467 HB2 ALA 71 2HB ALA 71 -5.831 23.207 -12.823 468 HB3 ALA 71 3HB ALA 71 -5.647 23.788 -14.478 469 H GLY 72 H GLY 72 -6.249 20.423 -12.229 470 HA2 GLY 72 2HA GLY 72 -4.716 18.400 -12.391 471 HA3 GLY 72 3HA GLY 72 -3.516 19.563 -12.936 472 H TYR 73 H TYR 73 -5.000 21.426 -10.888 473 HA TYR 73 HA TYR 73 -3.062 21.236 -8.864 474 HB2 TYR 73 2HB TYR 73 -5.775 22.549 -8.631 475 HB3 TYR 73 3HB TYR 73 -4.329 22.927 -7.701 476 HD1 TYR 73 HD2 TYR 73 -2.228 23.567 -9.243 477 HD2 TYR 73 HD1 TYR 73 -6.312 23.964 -10.366 478 HE1 TYR 73 HE2 TYR 73 -1.599 25.267 -10.905 479 HE2 TYR 73 HE1 TYR 73 -5.695 25.664 -12.033 480 HH TYR 73 HH TYR 73 -3.126 26.098 -13.353 481 H VAL 74 H VAL 74 -2.909 19.986 -7.123 482 HA VAL 74 HA VAL 74 -5.336 18.705 -6.069 483 HB VAL 74 HB VAL 74 -4.158 16.605 -5.736 484 HG11 VAL 74 1HG1 VAL 74 -4.249 17.730 -8.510 485 HG12 VAL 74 2HG1 VAL 74 -3.717 16.072 -8.223 486 HG13 VAL 74 3HG1 VAL 74 -5.336 16.576 -7.739 487 HG21 VAL 74 3HG2 VAL 74 -1.846 18.224 -6.531 488 HG22 VAL 74 1HG2 VAL 74 -1.932 16.790 -5.508 489 HG23 VAL 74 2HG2 VAL 74 -1.904 16.621 -7.263 490 H LEU 75 H LEU 75 -5.520 18.762 -3.908 491 HA LEU 75 HA LEU 75 -3.647 20.269 -2.376 492 HB2 LEU 75 2HB LEU 75 -6.088 18.683 -1.611 493 HB3 LEU 75 3HB LEU 75 -5.135 19.613 -0.457 494 HG LEU 75 HG LEU 75 -6.715 20.694 -2.788 495 HD11 LEU 75 1HD1 LEU 75 -7.911 21.881 -0.917 496 HD12 LEU 75 2HD1 LEU 75 -7.074 20.800 0.197 497 HD13 LEU 75 3HD1 LEU 75 -8.177 20.140 -1.011 498 HD21 LEU 75 3HD2 LEU 75 -4.638 21.946 -2.492 499 HD22 LEU 75 1HD2 LEU 75 -5.005 22.159 -0.780 500 HD23 LEU 75 2HD2 LEU 75 -6.037 22.903 -2.003 501 H THR 76 H THR 76 -1.770 19.492 -1.696 502 HA THR 76 HA THR 76 -1.142 16.740 -1.549 503 HB THR 76 HB THR 76 0.961 17.434 -0.508 504 HG1 THR 76 HG1 THR 76 0.361 19.081 0.851 505 HG21 THR 76 3HG2 THR 76 -0.052 19.013 -2.849 506 HG22 THR 76 1HG2 THR 76 1.066 17.650 -2.829 507 HG23 THR 76 2HG2 THR 76 1.593 19.232 -2.253 508 H CYS 77 H CYS 77 -2.602 18.919 0.680 509 HA CYS 77 HA CYS 77 -1.955 17.418 3.047 510 HB2 CYS 77 2HB CYS 77 -3.354 18.976 4.218 511 HB3 CYS 77 3HB CYS 77 -2.422 19.885 3.032 512 H VAL 78 H VAL 78 -4.086 16.960 0.512 513 HA VAL 78 HA VAL 78 -5.467 14.861 1.957 514 HB VAL 78 HB VAL 78 -7.711 15.648 1.080 515 HG11 VAL 78 1HG1 VAL 78 -8.185 16.875 3.029 516 HG12 VAL 78 2HG1 VAL 78 -6.843 15.815 3.468 517 HG13 VAL 78 3HG1 VAL 78 -6.546 17.519 3.122 518 HG21 VAL 78 3HG2 VAL 78 -7.004 17.298 -0.511 519 HG22 VAL 78 1HG2 VAL 78 -7.911 18.113 0.763 520 HG23 VAL 78 2HG2 VAL 78 -6.150 18.206 0.737 521 H ALA 79 H ALA 79 -3.622 14.502 0.019 522 HA ALA 79 HA ALA 79 -5.234 13.712 -2.320 523 HB1 ALA 79 1HB ALA 79 -3.852 15.373 -3.176 524 HB2 ALA 79 2HB ALA 79 -2.477 14.875 -2.190 525 HB3 ALA 79 3HB ALA 79 -2.983 13.887 -3.560 526 H TYR 80 H TYR 80 -5.228 11.612 -2.814 527 HA TYR 80 HA TYR 80 -3.300 9.878 -1.421 528 HB2 TYR 80 2HB TYR 80 -6.034 9.197 -2.523 529 HB3 TYR 80 3HB TYR 80 -4.962 8.082 -1.683 530 HD1 TYR 80 HD2 TYR 80 -4.131 9.073 0.697 531 HD2 TYR 80 HD1 TYR 80 -7.759 10.080 -1.284 532 HE1 TYR 80 HE2 TYR 80 -5.113 9.744 2.849 533 HE2 TYR 80 HE1 TYR 80 -8.751 10.755 0.863 534 HH TYR 80 HH TYR 80 -8.466 10.900 3.059 535 HA PRO 81 HA PRO 81 -1.970 9.592 -5.798 536 HB2 PRO 81 2HB PRO 81 0.637 9.140 -5.188 537 HB3 PRO 81 3HB PRO 81 -0.062 10.761 -5.274 538 HG2 PRO 81 2HG PRO 81 0.479 9.057 -2.873 539 HG3 PRO 81 3HG PRO 81 0.766 10.791 -3.102 540 HD2 PRO 81 2HD PRO 81 -1.376 9.835 -1.750 541 HD3 PRO 81 3HD PRO 81 -1.435 11.338 -2.694 542 H THR 82 H THR 82 -3.200 7.602 -5.889 543 HA THR 82 HA THR 82 -2.447 5.174 -4.752 544 HB THR 82 HB THR 82 -3.563 4.992 -7.478 545 HG1 THR 82 HG1 THR 82 -5.242 6.266 -7.154 546 HG21 THR 82 3HG2 THR 82 -3.536 3.452 -5.171 547 HG22 THR 82 1HG2 THR 82 -4.512 3.163 -6.610 548 HG23 THR 82 2HG2 THR 82 -5.186 4.069 -5.255 549 H SER 83 H SER 83 -1.064 6.923 -7.383 550 HA SER 83 HA SER 83 0.931 4.811 -7.717 551 HB2 SER 83 2HB SER 83 0.853 5.007 -10.168 552 HB3 SER 83 3HB SER 83 -0.696 4.458 -9.526 553 HG SER 83 HG SER 83 -0.007 6.906 -10.687 554 H ASP 84 H ASP 84 2.759 5.669 -9.195 555 HA ASP 84 HA ASP 84 4.010 7.798 -7.967 556 HB2 ASP 84 2HB ASP 84 5.596 7.777 -9.793 557 HB3 ASP 84 3HB ASP 84 5.124 6.119 -9.430 558 H CYS 85 H CYS 85 4.338 9.968 -8.479 559 HA CYS 85 HA CYS 85 3.069 11.227 -10.704 560 HB2 CYS 85 2HB CYS 85 1.507 12.632 -9.358 561 HB3 CYS 85 3HB CYS 85 1.060 10.930 -9.402 562 HG CYS 85 HG CYS 85 2.986 11.596 -6.788 563 H THR 86 H THR 86 3.530 13.492 -10.832 564 HA THR 86 HA THR 86 5.726 14.315 -9.046 565 HB THR 86 HB THR 86 5.292 15.054 -11.947 566 HG1 THR 86 HG1 THR 86 6.220 12.885 -11.202 567 HG21 THR 86 3HG2 THR 86 7.792 15.865 -11.413 568 HG22 THR 86 1HG2 THR 86 7.061 16.133 -9.831 569 HG23 THR 86 2HG2 THR 86 6.389 16.922 -11.258 570 H ILE 87 H ILE 87 4.120 15.241 -7.619 571 HA ILE 87 HA ILE 87 2.367 17.309 -8.477 572 HB ILE 87 HB ILE 87 3.396 16.711 -5.701 573 HG12 ILE 87 2HG1 ILE 87 0.682 15.987 -6.021 574 HG13 ILE 87 3HG1 ILE 87 1.540 15.338 -7.414 575 HG21 ILE 87 1HG2 ILE 87 1.262 17.904 -5.037 576 HG22 ILE 87 2HG2 ILE 87 2.561 18.914 -5.668 577 HG23 ILE 87 3HG2 ILE 87 1.192 18.494 -6.698 578 HD11 ILE 87 3HD1 ILE 87 1.373 13.778 -5.496 579 HD12 ILE 87 1HD1 ILE 87 3.028 14.113 -6.004 580 HD13 ILE 87 2HD1 ILE 87 2.374 14.888 -4.561 581 H GLU 88 H GLU 88 2.727 19.411 -8.790 582 HA GLU 88 HA GLU 88 5.408 20.449 -8.258 583 HB2 GLU 88 2HB GLU 88 3.156 21.290 -10.052 584 HB3 GLU 88 3HB GLU 88 4.421 22.435 -9.630 585 HG2 GLU 88 2HG GLU 88 5.951 20.388 -10.390 586 HG3 GLU 88 3HG GLU 88 4.522 20.046 -11.362 587 H THR 89 H THR 89 5.590 21.205 -6.236 588 HA THR 89 HA THR 89 3.467 22.337 -4.741 589 HB THR 89 HB THR 89 5.064 22.819 -3.046 590 HG1 THR 89 HG1 THR 89 7.353 22.712 -3.562 591 HG21 THR 89 3HG2 THR 89 6.035 20.376 -4.533 592 HG22 THR 89 1HG2 THR 89 4.655 20.423 -3.436 593 HG23 THR 89 2HG2 THR 89 6.281 20.719 -2.821 594 H HIS 90 H HIS 90 3.842 24.586 -3.673 595 HA HIS 90 HA HIS 90 3.670 26.841 -3.942 596 HB2 HIS 90 2HB HIS 90 6.026 26.305 -5.760 597 HB3 HIS 90 3HB HIS 90 5.507 27.915 -5.267 598 HD1 HIS 90 HD1 HIS 90 6.277 24.690 -3.378 599 HD2 HIS 90 HD2 HIS 90 7.064 28.767 -3.244 600 HE1 HIS 90 HE1 HIS 90 7.734 25.028 -1.356 601 H LYS 91 H LYS 91 1.700 25.740 -5.261 602 HA LYS 91 HA LYS 91 1.607 27.201 -7.815 603 HB2 LYS 91 2HB LYS 91 0.636 24.416 -7.207 604 HB3 LYS 91 3HB LYS 91 -0.001 25.344 -8.558 605 HG2 LYS 91 2HG LYS 91 2.890 24.608 -8.151 606 HG3 LYS 91 3HG LYS 91 1.766 23.810 -9.254 607 HD2 LYS 91 2HD LYS 91 1.453 26.305 -10.116 608 HD3 LYS 91 3HD LYS 91 3.086 26.464 -9.463 609 HE2 LYS 91 2HE LYS 91 3.952 24.865 -10.929 610 HE3 LYS 91 3HE LYS 91 2.360 24.200 -11.291 611 HZ1 LYS 91 3HZ LYS 91 3.274 26.907 -12.098 612 HZ2 LYS 91 1HZ LYS 91 1.816 26.164 -12.529 613 HZ3 LYS 91 2HZ LYS 91 3.282 25.551 -13.108 614 H GLU 92 H GLU 92 0.753 28.045 -5.182 615 HA GLU 92 HA GLU 92 -2.127 27.828 -5.132 616 HB2 GLU 92 2HB GLU 92 -0.896 27.920 -3.029 617 HB3 GLU 92 3HB GLU 92 -0.226 29.485 -3.466 618 HG2 GLU 92 2HG GLU 92 -3.018 29.731 -3.661 619 HG3 GLU 92 3HG GLU 92 -2.689 28.873 -2.157 620 H GLU 93 H GLU 93 0.282 30.112 -6.211 621 HA GLU 93 HA GLU 93 -1.323 32.401 -6.434 622 HB2 GLU 93 2HB GLU 93 0.351 33.157 -8.110 623 HB3 GLU 93 3HB GLU 93 1.073 32.570 -6.618 624 HG2 GLU 93 2HG GLU 93 2.104 30.857 -7.632 625 HG3 GLU 93 3HG GLU 93 0.751 30.548 -8.720 626 H ASP 94 H ASP 94 -1.148 29.530 -8.350 627 HA ASP 94 HA ASP 94 -2.124 30.435 -10.799 628 HB2 ASP 94 2HB ASP 94 -1.982 27.847 -9.391 629 HB3 ASP 94 3HB ASP 94 -3.245 27.958 -10.614 630 H LEU 95 H LEU 95 -3.710 30.071 -7.760 631 HA LEU 95 HA LEU 95 -6.362 30.250 -8.978 632 HB2 LEU 95 2HB LEU 95 -5.841 30.174 -6.034 633 HB3 LEU 95 3HB LEU 95 -7.257 29.620 -6.926 634 HG LEU 95 HG LEU 95 -4.564 28.264 -6.802 635 HD11 LEU 95 1HD1 LEU 95 -7.126 27.036 -5.919 636 HD12 LEU 95 2HD1 LEU 95 -6.335 28.202 -4.860 637 HD13 LEU 95 3HD1 LEU 95 -5.478 26.744 -5.361 638 HD21 LEU 95 3HD2 LEU 95 -6.957 27.844 -8.525 639 HD22 LEU 95 1HD2 LEU 95 -6.058 26.436 -7.960 640 HD23 LEU 95 2HD2 LEU 95 -5.243 27.678 -8.910 641 H TYR 96 H TYR 96 -4.091 32.098 -7.059 642 HA TYR 96 HA TYR 96 -5.195 34.575 -7.805 643 HB2 TYR 96 2HB TYR 96 -5.818 35.182 -5.326 644 HB3 TYR 96 3HB TYR 96 -6.997 34.394 -6.369 645 HD1 TYR 96 HD2 TYR 96 -4.104 33.027 -4.443 646 HD2 TYR 96 HD1 TYR 96 -8.316 33.036 -5.039 647 HE1 TYR 96 HE2 TYR 96 -4.333 31.210 -2.802 648 HE2 TYR 96 HE1 TYR 96 -8.558 31.219 -3.399 649 HH TYR 96 HH TYR 96 -6.137 30.329 -1.272 Start of MODEL 4 1 H1 ALA 1 H ALA 1 0.852 -0.139 0.797 2 HA ALA 1 HA ALA 1 2.887 -0.516 -1.253 3 HB1 ALA 1 1HB ALA 1 0.153 0.363 -1.977 4 HB2 ALA 1 2HB ALA 1 1.198 -0.840 -2.734 5 HB3 ALA 1 3HB ALA 1 0.323 -1.237 -1.255 6 H SER 2 H SER 2 4.229 1.266 -1.006 7 HA SER 2 HA SER 2 3.009 3.915 -1.343 8 HB2 SER 2 2HB SER 2 4.696 4.783 -0.094 9 HB3 SER 2 3HB SER 2 4.880 3.120 0.462 10 HG SER 2 HG SER 2 6.854 3.469 -0.243 11 H TYR 3 H TYR 3 3.798 5.372 -2.905 12 HA TYR 3 HA TYR 3 5.397 4.157 -5.057 13 HB2 TYR 3 2HB TYR 3 2.798 5.649 -5.236 14 HB3 TYR 3 3HB TYR 3 3.927 5.668 -6.586 15 HD1 TYR 3 HD2 TYR 3 4.582 3.480 -7.652 16 HD2 TYR 3 HD1 TYR 3 1.400 3.787 -4.844 17 HE1 TYR 3 HE2 TYR 3 3.695 1.322 -8.430 18 HE2 TYR 3 HE1 TYR 3 0.505 1.629 -5.613 19 HH TYR 3 HH TYR 3 0.768 0.288 -8.040 20 H THR 4 H THR 4 6.768 5.531 -6.195 21 HA THR 4 HA THR 4 7.979 7.594 -4.769 22 HB THR 4 HB THR 4 9.270 6.553 -6.459 23 HG1 THR 4 HG1 THR 4 10.083 8.502 -6.664 24 HG21 THR 4 3HG2 THR 4 7.086 7.381 -8.368 25 HG22 THR 4 1HG2 THR 4 7.572 5.742 -7.939 26 HG23 THR 4 2HG2 THR 4 8.656 6.764 -8.883 27 H VAL 5 H VAL 5 7.445 9.645 -4.423 28 HA VAL 5 HA VAL 5 5.480 10.904 -6.227 29 HB VAL 5 HB VAL 5 5.894 11.406 -3.276 30 HG11 VAL 5 1HG1 VAL 5 4.689 13.014 -5.352 31 HG12 VAL 5 2HG1 VAL 5 3.517 12.591 -4.102 32 HG13 VAL 5 3HG1 VAL 5 5.015 13.413 -3.665 33 HG21 VAL 5 3HG2 VAL 5 4.682 9.452 -3.320 34 HG22 VAL 5 1HG2 VAL 5 3.387 10.649 -3.362 35 HG23 VAL 5 2HG2 VAL 5 3.895 9.846 -4.848 36 H LYS 6 H LYS 6 6.738 12.076 -7.578 37 HA LYS 6 HA LYS 6 9.086 13.463 -6.740 38 HB2 LYS 6 2HB LYS 6 8.121 12.645 -9.151 39 HB3 LYS 6 3HB LYS 6 7.763 14.365 -9.216 40 HG2 LYS 6 2HG LYS 6 9.865 14.802 -9.736 41 HG3 LYS 6 3HG LYS 6 10.415 14.037 -8.243 42 HD2 LYS 6 2HD LYS 6 11.488 12.695 -9.736 43 HD3 LYS 6 3HD LYS 6 9.947 11.837 -9.666 44 HE2 LYS 6 2HE LYS 6 9.505 13.747 -11.594 45 HE3 LYS 6 3HE LYS 6 11.187 13.296 -11.868 46 HZ1 LYS 6 3HZ LYS 6 10.423 11.531 -12.941 47 HZ2 LYS 6 1HZ LYS 6 8.826 11.849 -12.481 48 HZ3 LYS 6 2HZ LYS 6 9.829 10.931 -11.475 49 H LEU 7 H LEU 7 9.093 15.242 -5.546 50 HA LEU 7 HA LEU 7 6.823 17.100 -5.756 51 HB2 LEU 7 2HB LEU 7 8.791 16.559 -3.551 52 HB3 LEU 7 3HB LEU 7 7.752 17.983 -3.561 53 HG LEU 7 HG LEU 7 6.771 15.129 -3.544 54 HD11 LEU 7 1HD1 LEU 7 7.687 15.387 -1.434 55 HD12 LEU 7 2HD1 LEU 7 6.017 15.899 -1.194 56 HD13 LEU 7 3HD1 LEU 7 7.293 17.105 -1.359 57 HD21 LEU 7 3HD2 LEU 7 4.729 16.668 -2.666 58 HD22 LEU 7 1HD2 LEU 7 4.934 16.155 -4.341 59 HD23 LEU 7 2HD2 LEU 7 5.477 17.755 -3.837 60 H ILE 8 H ILE 8 7.457 18.376 -7.459 61 HA ILE 8 HA ILE 8 10.075 19.401 -7.800 62 HB ILE 8 HB ILE 8 7.543 20.625 -8.888 63 HG12 ILE 8 2HG1 ILE 8 7.512 18.248 -9.398 64 HG13 ILE 8 3HG1 ILE 8 7.886 19.158 -10.857 65 HG21 ILE 8 1HG2 ILE 8 9.443 20.842 -10.813 66 HG22 ILE 8 2HG2 ILE 8 9.073 22.093 -9.627 67 HG23 ILE 8 3HG2 ILE 8 10.418 20.987 -9.350 68 HD11 ILE 8 3HD1 ILE 8 9.631 17.833 -11.137 69 HD12 ILE 8 1HD1 ILE 8 10.354 18.568 -9.707 70 HD13 ILE 8 2HD1 ILE 8 9.393 17.097 -9.552 71 H THR 9 H THR 9 11.054 21.134 -6.963 72 HA THR 9 HA THR 9 9.448 23.215 -5.670 73 HB THR 9 HB THR 9 10.646 23.197 -3.642 74 HG1 THR 9 HG1 THR 9 12.450 21.606 -3.434 75 HG21 THR 9 3HG2 THR 9 9.885 21.263 -2.712 76 HG22 THR 9 1HG2 THR 9 10.592 20.251 -3.971 77 HG23 THR 9 2HG2 THR 9 9.089 21.119 -4.279 78 HA PRO 10 HA PRO 10 12.267 25.996 -7.571 79 HB2 PRO 10 2HB PRO 10 12.208 28.066 -5.816 80 HB3 PRO 10 3HB PRO 10 10.863 27.685 -6.897 81 HG2 PRO 10 2HG PRO 10 11.219 27.004 -4.004 82 HG3 PRO 10 3HG PRO 10 9.773 27.591 -4.845 83 HD2 PRO 10 2HD PRO 10 10.137 24.982 -4.220 84 HD3 PRO 10 3HD PRO 10 9.250 25.502 -5.667 85 H ASP 11 H ASP 11 12.921 24.545 -4.584 86 HA ASP 11 HA ASP 11 15.632 25.688 -4.501 87 HB2 ASP 11 2HB ASP 11 14.033 24.295 -2.344 88 HB3 ASP 11 3HB ASP 11 15.708 24.809 -2.166 89 H GLY 12 H GLY 12 14.428 23.395 -6.141 90 HA2 GLY 12 2HA GLY 12 16.240 21.807 -6.927 91 HA3 GLY 12 3HA GLY 12 16.288 21.281 -5.250 92 H GLU 13 H GLU 13 15.898 19.192 -6.486 93 HA GLU 13 HA GLU 13 12.991 18.764 -6.704 94 HB2 GLU 13 2HB GLU 13 15.214 17.692 -8.428 95 HB3 GLU 13 3HB GLU 13 13.651 16.893 -8.338 96 HG2 GLU 13 2HG GLU 13 12.537 18.721 -9.298 97 HG3 GLU 13 3HG GLU 13 13.912 19.795 -9.045 98 H SER 14 H SER 14 12.181 17.239 -5.418 99 HA SER 14 HA SER 14 14.047 15.309 -4.201 100 HB2 SER 14 2HB SER 14 11.989 17.064 -2.969 101 HB3 SER 14 3HB SER 14 12.133 15.430 -2.321 102 HG SER 14 HG SER 14 14.115 15.863 -1.614 103 H SER 15 H SER 15 12.640 13.480 -3.098 104 HA SER 15 HA SER 15 10.290 12.744 -4.610 105 HB2 SER 15 2HB SER 15 11.421 10.478 -5.188 106 HB3 SER 15 3HB SER 15 11.766 11.875 -6.207 107 HG SER 15 HG SER 15 13.398 11.211 -4.001 108 H ILE 16 H ILE 16 9.047 12.347 -2.880 109 HA ILE 16 HA ILE 16 10.117 10.632 -0.745 110 HB ILE 16 HB ILE 16 8.236 11.439 0.628 111 HG12 ILE 16 2HG1 ILE 16 7.681 13.389 -1.612 112 HG13 ILE 16 3HG1 ILE 16 6.750 11.915 -1.368 113 HG21 ILE 16 1HG2 ILE 16 10.197 12.632 1.002 114 HG22 ILE 16 2HG2 ILE 16 10.146 13.403 -0.582 115 HG23 ILE 16 3HG2 ILE 16 9.012 13.896 0.675 116 HD11 ILE 16 3HD1 ILE 16 7.028 14.162 0.614 117 HD12 ILE 16 1HD1 ILE 16 5.634 13.862 -0.424 118 HD13 ILE 16 2HD1 ILE 16 6.068 12.698 0.829 119 H GLU 17 H GLU 17 8.887 8.883 0.045 120 HA GLU 17 HA GLU 17 7.137 7.702 -1.978 121 HB2 GLU 17 2HB GLU 17 9.064 6.681 -0.087 122 HB3 GLU 17 3HB GLU 17 7.516 5.874 0.122 123 HG2 GLU 17 2HG GLU 17 7.495 5.201 -2.183 124 HG3 GLU 17 3HG GLU 17 8.958 6.130 -2.506 125 H CYS 18 H CYS 18 5.023 7.960 -1.765 126 HA CYS 18 HA CYS 18 3.894 8.177 0.947 127 HB2 CYS 18 2HB CYS 18 3.693 10.196 -0.570 128 HB3 CYS 18 3HB CYS 18 2.638 9.226 -1.590 129 HG CYS 18 HG CYS 18 2.035 10.215 1.626 130 H SER 19 H SER 19 1.854 7.182 1.345 131 HA SER 19 HA SER 19 1.453 4.782 -0.288 132 HB2 SER 19 2HB SER 19 1.358 5.337 2.540 133 HB3 SER 19 3HB SER 19 -0.177 4.651 2.008 134 HG SER 19 HG SER 19 1.218 2.979 2.526 135 H ASP 20 H ASP 20 -0.714 4.069 -0.776 136 HA ASP 20 HA ASP 20 -2.307 6.069 -1.930 137 HB2 ASP 20 2HB ASP 20 -3.926 4.293 -2.367 138 HB3 ASP 20 3HB ASP 20 -2.291 3.729 -2.703 139 H ASP 21 H ASP 21 -2.248 4.745 1.257 140 HA ASP 21 HA ASP 21 -4.782 6.092 1.906 141 HB2 ASP 21 2HB ASP 21 -4.497 3.613 2.419 142 HB3 ASP 21 3HB ASP 21 -3.330 4.100 3.646 143 H THR 22 H THR 22 -2.606 7.726 1.544 144 HA THR 22 HA THR 22 -2.361 8.897 4.182 145 HB THR 22 HB THR 22 0.252 8.692 2.796 146 HG1 THR 22 HG1 THR 22 -0.476 6.544 4.460 147 HG21 THR 22 3HG2 THR 22 0.846 8.243 5.301 148 HG22 THR 22 1HG2 THR 22 -0.786 8.840 5.597 149 HG23 THR 22 2HG2 THR 22 0.395 9.867 4.783 150 H TYR 23 H TYR 23 -1.000 10.991 4.004 151 HA TYR 23 HA TYR 23 -1.823 12.349 1.528 152 HB2 TYR 23 2HB TYR 23 -1.109 13.684 4.137 153 HB3 TYR 23 3HB TYR 23 -1.977 14.373 2.770 154 HD1 TYR 23 HD1 TYR 23 -4.255 13.244 2.183 155 HD2 TYR 23 HD2 TYR 23 -2.303 12.848 5.943 156 HE1 TYR 23 HE1 TYR 23 -6.395 12.618 3.221 157 HE2 TYR 23 HE2 TYR 23 -4.437 12.220 6.991 158 HH TYR 23 HH TYR 23 -6.583 11.741 6.655 159 H ILE 24 H ILE 24 -0.379 13.465 0.309 160 HA ILE 24 HA ILE 24 2.319 12.770 0.353 161 HB ILE 24 HB ILE 24 1.074 15.218 -0.905 162 HG12 ILE 24 2HG1 ILE 24 1.783 12.992 -2.650 163 HG13 ILE 24 3HG1 ILE 24 0.578 12.541 -1.448 164 HG21 ILE 24 1HG2 ILE 24 3.009 15.194 -2.396 165 HG22 ILE 24 2HG2 ILE 24 3.499 15.399 -0.715 166 HG23 ILE 24 3HG2 ILE 24 3.685 13.832 -1.502 167 HD11 ILE 24 3HD1 ILE 24 -0.842 13.300 -3.011 168 HD12 ILE 24 1HD1 ILE 24 -0.461 14.865 -2.292 169 HD13 ILE 24 2HD1 ILE 24 0.367 14.343 -3.760 170 H LEU 25 H LEU 25 0.667 15.596 1.680 171 HA LEU 25 HA LEU 25 2.901 17.117 2.374 172 HB2 LEU 25 2HB LEU 25 0.721 18.081 2.460 173 HB3 LEU 25 3HB LEU 25 0.182 16.893 3.645 174 HG LEU 25 HG LEU 25 1.664 17.899 5.319 175 HD11 LEU 25 1HD1 LEU 25 2.930 19.848 4.919 176 HD12 LEU 25 2HD1 LEU 25 2.203 20.088 3.330 177 HD13 LEU 25 3HD1 LEU 25 3.312 18.744 3.597 178 HD21 LEU 25 3HD2 LEU 25 -0.657 18.665 5.103 179 HD22 LEU 25 1HD2 LEU 25 -0.133 19.912 3.971 180 HD23 LEU 25 2HD2 LEU 25 0.415 19.957 5.647 181 H ASP 26 H ASP 26 1.193 14.604 4.198 182 HA ASP 26 HA ASP 26 2.709 14.821 6.562 183 HB2 ASP 26 2HB ASP 26 0.588 13.207 5.604 184 HB3 ASP 26 3HB ASP 26 1.855 12.113 6.151 185 H ALA 27 H ALA 27 3.150 12.918 3.626 186 HA ALA 27 HA ALA 27 5.379 11.431 4.613 187 HB1 ALA 27 1HB ALA 27 4.099 11.807 1.945 188 HB2 ALA 27 2HB ALA 27 5.699 11.070 2.043 189 HB3 ALA 27 3HB ALA 27 4.336 10.332 2.884 190 H ALA 28 H ALA 28 4.972 14.556 3.198 191 HA ALA 28 HA ALA 28 7.719 14.845 2.371 192 HB1 ALA 28 1HB ALA 28 6.767 16.398 1.104 193 HB2 ALA 28 2HB ALA 28 5.267 16.301 2.027 194 HB3 ALA 28 3HB ALA 28 6.556 17.385 2.550 195 H GLU 29 H GLU 29 5.743 16.631 4.753 196 HA GLU 29 HA GLU 29 7.801 17.940 6.044 197 HB2 GLU 29 2HB GLU 29 6.277 18.081 7.996 198 HB3 GLU 29 3HB GLU 29 5.493 18.500 6.479 199 HG2 GLU 29 2HG GLU 29 3.881 17.123 7.160 200 HG3 GLU 29 3HG GLU 29 4.970 15.837 6.643 201 H GLU 30 H GLU 30 6.692 14.641 6.432 202 HA GLU 30 HA GLU 30 8.039 14.055 8.840 203 HB2 GLU 30 2HB GLU 30 6.252 12.635 7.963 204 HB3 GLU 30 3HB GLU 30 7.248 12.215 6.576 205 HG2 GLU 30 2HG GLU 30 7.892 10.443 7.740 206 HG3 GLU 30 3HG GLU 30 8.843 11.557 8.721 207 H ALA 31 H ALA 31 8.992 13.762 5.446 208 HA ALA 31 HA ALA 31 11.564 12.637 6.088 209 HB1 ALA 31 1HB ALA 31 11.624 12.091 3.931 210 HB2 ALA 31 2HB ALA 31 9.981 12.723 3.819 211 HB3 ALA 31 3HB ALA 31 11.353 13.759 3.426 212 H GLY 32 H GLY 32 10.236 15.809 5.569 213 HA2 GLY 32 2HA GLY 32 11.465 17.672 6.559 214 HA3 GLY 32 3HA GLY 32 12.940 16.932 5.956 215 H LEU 33 H LEU 33 10.385 16.706 3.755 216 HA LEU 33 HA LEU 33 11.633 18.128 1.736 217 HB2 LEU 33 2HB LEU 33 9.079 16.867 2.163 218 HB3 LEU 33 3HB LEU 33 8.888 18.354 1.236 219 HG LEU 33 HG LEU 33 9.131 16.265 -0.125 220 HD11 LEU 33 1HD1 LEU 33 11.439 17.670 -1.077 221 HD12 LEU 33 2HD1 LEU 33 10.234 18.818 -0.495 222 HD13 LEU 33 3HD1 LEU 33 9.801 17.637 -1.731 223 HD21 LEU 33 3HD2 LEU 33 10.845 15.239 1.385 224 HD22 LEU 33 1HD2 LEU 33 12.015 16.389 0.737 225 HD23 LEU 33 2HD2 LEU 33 11.258 15.207 -0.330 226 H ASP 34 H ASP 34 9.412 19.246 4.212 227 HA ASP 34 HA ASP 34 8.815 21.329 4.903 228 HB2 ASP 34 2HB ASP 34 11.068 22.370 3.181 229 HB3 ASP 34 3HB ASP 34 10.357 23.136 4.599 230 H LEU 35 H LEU 35 7.132 20.496 3.114 231 HA LEU 35 HA LEU 35 6.972 22.297 0.846 232 HB2 LEU 35 2HB LEU 35 5.730 19.789 1.669 233 HB3 LEU 35 3HB LEU 35 4.593 20.921 0.940 234 HG LEU 35 HG LEU 35 5.868 20.977 -1.097 235 HD11 LEU 35 1HD1 LEU 35 7.784 18.961 -0.804 236 HD12 LEU 35 2HD1 LEU 35 7.975 20.011 0.599 237 HD13 LEU 35 3HD1 LEU 35 8.065 20.688 -1.027 238 HD21 LEU 35 3HD2 LEU 35 5.739 18.582 -1.753 239 HD22 LEU 35 1HD2 LEU 35 4.287 19.179 -0.949 240 HD23 LEU 35 2HD2 LEU 35 5.437 18.178 -0.062 241 HA PRO 36 HA PRO 36 4.238 25.281 2.539 242 HB2 PRO 36 2HB PRO 36 2.525 25.742 0.484 243 HB3 PRO 36 3HB PRO 36 4.206 26.288 0.474 244 HG2 PRO 36 2HG PRO 36 2.988 23.881 -0.825 245 HG3 PRO 36 3HG PRO 36 4.179 25.022 -1.477 246 HD2 PRO 36 2HD PRO 36 4.872 22.597 -0.492 247 HD3 PRO 36 3HD PRO 36 5.934 24.014 -0.374 248 H TYR 37 H TYR 37 2.632 25.120 3.966 249 HA TYR 37 HA TYR 37 0.104 23.971 3.357 250 HB2 TYR 37 2HB TYR 37 0.116 21.998 4.610 251 HB3 TYR 37 3HB TYR 37 1.676 21.962 3.796 252 HD1 TYR 37 HD1 TYR 37 -0.030 22.399 7.011 253 HD2 TYR 37 HD2 TYR 37 3.737 22.235 5.040 254 HE1 TYR 37 HE1 TYR 37 1.092 22.165 9.187 255 HE2 TYR 37 HE2 TYR 37 4.869 22.000 7.210 256 HH TYR 37 HH TYR 37 4.210 22.720 9.717 257 H SER 38 H SER 38 -1.419 24.175 5.113 258 HA SER 38 HA SER 38 -0.523 25.660 7.458 259 HB2 SER 38 2HB SER 38 -1.630 26.976 5.224 260 HB3 SER 38 3HB SER 38 -2.906 26.927 6.441 261 HG SER 38 HG SER 38 -1.149 28.695 6.411 262 H CYS 39 H CYS 39 -3.210 24.184 5.696 263 HA CYS 39 HA CYS 39 -4.698 23.795 8.171 264 HB2 CYS 39 2HB CYS 39 -6.523 23.078 6.791 265 HB3 CYS 39 3HB CYS 39 -5.829 24.515 6.047 266 H ARG 40 H ARG 40 -2.906 21.957 5.778 267 HA ARG 40 HA ARG 40 -2.466 19.706 5.596 268 HB2 ARG 40 2HB ARG 40 -1.265 18.847 7.532 269 HB3 ARG 40 3HB ARG 40 -0.827 20.524 7.239 270 HG2 ARG 40 2HG ARG 40 -1.997 21.285 9.101 271 HG3 ARG 40 3HG ARG 40 -2.959 19.810 9.214 272 HD2 ARG 40 2HD ARG 40 -0.854 18.579 9.765 273 HD3 ARG 40 3HD ARG 40 -0.028 20.135 9.836 274 HE ARG 40 HE ARG 40 -2.326 20.083 11.517 275 HH11 ARG 40 1HH1 ARG 40 0.994 19.060 11.293 276 HH12 ARG 40 2HH1 ARG 40 1.236 19.026 13.008 277 HH21 ARG 40 1HH2 ARG 40 -2.020 20.042 13.777 278 HH22 ARG 40 2HH2 ARG 40 -0.480 19.584 14.421 279 H ALA 41 H ALA 41 -5.212 20.079 5.832 280 HA ALA 41 HA ALA 41 -5.970 17.536 7.009 281 HB1 ALA 41 1HB ALA 41 -6.704 18.480 8.899 282 HB2 ALA 41 2HB ALA 41 -6.653 20.106 8.217 283 HB3 ALA 41 3HB ALA 41 -8.046 19.068 7.918 284 H GLY 42 H GLY 42 -6.903 20.430 5.214 285 HA2 GLY 42 2HA GLY 42 -7.760 19.792 2.915 286 HA3 GLY 42 3HA GLY 42 -8.929 18.818 3.794 287 H ALA 43 H ALA 43 -7.785 22.152 3.392 288 HA ALA 43 HA ALA 43 -10.345 23.218 2.993 289 HB1 ALA 43 1HB ALA 43 -10.398 24.552 5.203 290 HB2 ALA 43 2HB ALA 43 -10.966 22.881 5.203 291 HB3 ALA 43 3HB ALA 43 -9.359 23.266 5.819 292 H CYS 44 H CYS 44 -7.718 23.446 1.914 293 HA CYS 44 HA CYS 44 -7.517 26.321 1.824 294 HB2 CYS 44 2HB CYS 44 -5.451 26.637 2.779 295 HB3 CYS 44 3HB CYS 44 -6.046 25.320 3.786 296 H SER 45 H SER 45 -5.414 26.841 0.407 297 HA SER 45 HA SER 45 -5.168 24.842 -1.724 298 HB2 SER 45 2HB SER 45 -6.621 27.322 -1.919 299 HB3 SER 45 3HB SER 45 -5.241 27.349 -3.017 300 HG SER 45 HG SER 45 -6.819 25.044 -2.927 301 H THR 46 H THR 46 -3.574 26.422 0.493 302 HA THR 46 HA THR 46 -1.463 27.660 -1.017 303 HB THR 46 HB THR 46 -2.156 28.309 1.344 304 HG1 THR 46 HG1 THR 46 0.567 27.752 0.715 305 HG21 THR 46 3HG2 THR 46 -1.789 26.964 3.112 306 HG22 THR 46 1HG2 THR 46 -0.255 26.376 2.472 307 HG23 THR 46 2HG2 THR 46 -1.772 25.671 1.913 308 H CYS 47 H CYS 47 -2.173 24.489 0.127 309 HA CYS 47 HA CYS 47 0.595 23.611 -0.259 310 HB2 CYS 47 2HB CYS 47 -0.177 21.474 0.731 311 HB3 CYS 47 3HB CYS 47 -0.454 22.849 1.795 312 H ALA 48 H ALA 48 -2.287 23.861 -1.951 313 HA ALA 48 HA ALA 48 -2.545 21.555 -3.424 314 HB1 ALA 48 1HB ALA 48 -3.713 23.996 -3.500 315 HB2 ALA 48 2HB ALA 48 -2.797 24.017 -5.008 316 HB3 ALA 48 3HB ALA 48 -3.968 22.733 -4.705 317 H GLY 49 H GLY 49 -1.674 20.754 -5.336 318 HA2 GLY 49 2HA GLY 49 0.749 22.097 -6.339 319 HA3 GLY 49 3HA GLY 49 0.807 20.398 -5.894 320 H LYS 50 H LYS 50 0.923 22.159 -8.488 321 HA LYS 50 HA LYS 50 -1.193 21.171 -10.119 322 HB2 LYS 50 2HB LYS 50 0.193 23.261 -10.523 323 HB3 LYS 50 3HB LYS 50 1.478 22.196 -11.079 324 HG2 LYS 50 2HG LYS 50 0.328 21.578 -12.979 325 HG3 LYS 50 3HG LYS 50 -1.243 21.988 -12.287 326 HD2 LYS 50 2HD LYS 50 -1.130 23.942 -13.343 327 HD3 LYS 50 3HD LYS 50 0.230 24.373 -12.304 328 HE2 LYS 50 2HE LYS 50 1.798 23.794 -13.895 329 HE3 LYS 50 3HE LYS 50 0.703 22.689 -14.724 330 HZ1 LYS 50 3HZ LYS 50 0.523 25.654 -14.751 331 HZ2 LYS 50 1HZ LYS 50 -0.542 24.599 -15.536 332 HZ3 LYS 50 2HZ LYS 50 1.076 24.684 -16.022 333 H ILE 51 H ILE 51 -1.412 19.081 -10.572 334 HA ILE 51 HA ILE 51 1.008 17.487 -11.088 335 HB ILE 51 HB ILE 51 -1.033 16.931 -9.351 336 HG12 ILE 51 2HG1 ILE 51 1.136 15.874 -9.286 337 HG13 ILE 51 3HG1 ILE 51 -0.093 14.616 -9.346 338 HG21 ILE 51 1HG2 ILE 51 -1.521 15.247 -11.803 339 HG22 ILE 51 2HG2 ILE 51 -2.365 15.147 -10.259 340 HG23 ILE 51 3HG2 ILE 51 -2.556 16.574 -11.277 341 HD11 ILE 51 3HD1 ILE 51 0.346 14.717 -11.914 342 HD12 ILE 51 1HD1 ILE 51 1.874 15.445 -11.418 343 HD13 ILE 51 2HD1 ILE 51 1.440 13.832 -10.851 344 H THR 52 H THR 52 1.265 16.425 -12.987 345 HA THR 52 HA THR 52 -0.938 16.505 -14.932 346 HB THR 52 HB THR 52 0.354 18.295 -15.713 347 HG1 THR 52 HG1 THR 52 0.072 17.060 -17.491 348 HG21 THR 52 3HG2 THR 52 2.376 18.550 -14.784 349 HG22 THR 52 1HG2 THR 52 2.973 17.505 -16.073 350 HG23 THR 52 2HG2 THR 52 2.555 16.819 -14.503 351 H ALA 53 H ALA 53 2.099 15.060 -13.897 352 HA ALA 53 HA ALA 53 1.518 12.712 -15.576 353 HB1 ALA 53 1HB ALA 53 4.090 12.399 -14.593 354 HB2 ALA 53 2HB ALA 53 3.639 12.936 -16.212 355 HB3 ALA 53 3HB ALA 53 3.967 14.123 -14.949 356 H GLY 54 H GLY 54 -0.011 11.880 -14.053 357 HA2 GLY 54 2HA GLY 54 0.757 9.856 -12.447 358 HA3 GLY 54 3HA GLY 54 0.883 11.241 -11.374 359 H SER 55 H SER 55 -0.749 10.522 -10.006 360 HA SER 55 HA SER 55 -3.374 11.335 -10.690 361 HB2 SER 55 2HB SER 55 -4.274 8.885 -10.198 362 HB3 SER 55 3HB SER 55 -3.855 9.394 -11.833 363 HG SER 55 HG SER 55 -2.823 7.399 -10.430 364 H VAL 56 H VAL 56 -4.738 11.442 -8.898 365 HA VAL 56 HA VAL 56 -3.867 10.295 -6.375 366 HB VAL 56 HB VAL 56 -3.920 12.449 -5.184 367 HG11 VAL 56 1HG1 VAL 56 -1.927 12.348 -7.446 368 HG12 VAL 56 2HG1 VAL 56 -1.754 13.290 -5.964 369 HG13 VAL 56 3HG1 VAL 56 -1.781 11.527 -5.892 370 HG21 VAL 56 3HG2 VAL 56 -5.175 13.961 -6.356 371 HG22 VAL 56 1HG2 VAL 56 -3.557 14.473 -6.839 372 HG23 VAL 56 2HG2 VAL 56 -4.521 13.462 -7.916 373 H ASP 57 H ASP 57 -5.452 10.815 -4.604 374 HA ASP 57 HA ASP 57 -8.162 11.179 -5.703 375 HB2 ASP 57 2HB ASP 57 -7.079 8.871 -4.459 376 HB3 ASP 57 3HB ASP 57 -8.233 9.577 -3.330 377 H GLN 58 H GLN 58 -8.993 13.005 -4.951 378 HA GLN 58 HA GLN 58 -8.552 13.684 -2.122 379 HB2 GLN 58 2HB GLN 58 -8.696 16.118 -2.913 380 HB3 GLN 58 3HB GLN 58 -7.198 15.251 -3.223 381 HG2 GLN 58 2HG GLN 58 -7.511 15.224 -5.471 382 HG3 GLN 58 3HG GLN 58 -9.269 15.196 -5.339 383 HE21 GLN 58 1HE2 GLN 58 -6.497 17.307 -4.690 384 HE22 GLN 58 2HE2 GLN 58 -7.280 18.771 -5.167 385 H SER 59 H SER 59 -10.637 12.457 -2.030 386 HA SER 59 HA SER 59 -12.953 13.947 -2.998 387 HB2 SER 59 2HB SER 59 -12.400 11.189 -2.486 388 HB3 SER 59 3HB SER 59 -13.747 11.687 -1.462 389 HG SER 59 HG SER 59 -14.807 12.437 -3.325 390 H ASP 60 H ASP 60 -11.064 14.573 -0.618 391 HA ASP 60 HA ASP 60 -13.198 14.959 1.378 392 HB2 ASP 60 2HB ASP 60 -10.381 14.113 1.635 393 HB3 ASP 60 3HB ASP 60 -10.917 15.306 2.816 394 H GLN 61 H GLN 61 -10.931 16.459 -0.685 395 HA GLN 61 HA GLN 61 -10.318 18.831 0.585 396 HB2 GLN 61 2HB GLN 61 -10.165 19.820 -1.693 397 HB3 GLN 61 3HB GLN 61 -9.332 18.279 -1.542 398 HG2 GLN 61 2HG GLN 61 -10.419 18.128 -3.584 399 HG3 GLN 61 3HG GLN 61 -11.470 17.241 -2.482 400 HE21 GLN 61 1HE2 GLN 61 -11.035 20.687 -3.206 401 HE22 GLN 61 2HE2 GLN 61 -12.695 20.994 -3.575 402 H SER 62 H SER 62 -11.209 21.040 -0.087 403 HA SER 62 HA SER 62 -14.108 21.057 -0.417 404 HB2 SER 62 2HB SER 62 -13.634 20.966 2.045 405 HB3 SER 62 3HB SER 62 -12.778 22.499 1.887 406 HG SER 62 HG SER 62 -15.440 22.025 2.045 407 H PHE 63 H PHE 63 -11.124 22.919 -0.063 408 HA PHE 63 HA PHE 63 -11.964 25.412 -0.875 409 HB2 PHE 63 2HB PHE 63 -9.657 24.779 -0.093 410 HB3 PHE 63 3HB PHE 63 -9.350 24.144 -1.706 411 HD1 PHE 63 HD2 PHE 63 -9.639 25.775 -3.673 412 HD2 PHE 63 HD1 PHE 63 -9.248 27.007 0.383 413 HE1 PHE 63 HE2 PHE 63 -8.950 28.014 -4.423 414 HE2 PHE 63 HE1 PHE 63 -8.559 29.249 -0.361 415 HZ PHE 63 HZ PHE 63 -8.408 29.755 -2.767 416 H LEU 64 H LEU 64 -10.462 23.009 -3.045 417 HA LEU 64 HA LEU 64 -11.143 24.352 -5.418 418 HB2 LEU 64 2HB LEU 64 -10.788 21.379 -5.230 419 HB3 LEU 64 3HB LEU 64 -10.378 22.454 -6.566 420 HG LEU 64 HG LEU 64 -8.927 22.206 -3.933 421 HD11 LEU 64 1HD1 LEU 64 -8.659 20.440 -5.774 422 HD12 LEU 64 2HD1 LEU 64 -7.201 21.180 -5.115 423 HD13 LEU 64 3HD1 LEU 64 -7.827 21.707 -6.677 424 HD21 LEU 64 3HD2 LEU 64 -8.137 24.252 -4.264 425 HD22 LEU 64 1HD2 LEU 64 -9.084 24.409 -5.745 426 HD23 LEU 64 2HD2 LEU 64 -7.461 23.721 -5.805 427 H ASP 65 H ASP 65 -12.663 23.705 -7.067 428 HA ASP 65 HA ASP 65 -15.082 22.429 -5.966 429 HB2 ASP 65 2HB ASP 65 -15.435 24.833 -6.231 430 HB3 ASP 65 3HB ASP 65 -14.921 24.740 -7.913 431 H ASP 66 H ASP 66 -13.833 23.438 -9.153 432 HA ASP 66 HA ASP 66 -13.835 20.718 -10.107 433 HB2 ASP 66 2HB ASP 66 -15.364 21.506 -12.093 434 HB3 ASP 66 3HB ASP 66 -16.085 20.927 -10.595 435 H ASP 67 H ASP 67 -13.630 24.156 -10.901 436 HA ASP 67 HA ASP 67 -12.122 23.790 -13.287 437 HB2 ASP 67 2HB ASP 67 -13.490 25.837 -12.644 438 HB3 ASP 67 3HB ASP 67 -12.158 26.277 -11.579 439 H GLN 68 H GLN 68 -11.303 24.249 -9.906 440 HA GLN 68 HA GLN 68 -8.545 24.769 -10.280 441 HB2 GLN 68 2HB GLN 68 -10.232 23.893 -7.966 442 HB3 GLN 68 3HB GLN 68 -8.479 23.844 -7.828 443 HG2 GLN 68 2HG GLN 68 -9.583 25.917 -6.956 444 HG3 GLN 68 3HG GLN 68 -8.291 26.175 -8.128 445 HE21 GLN 68 1HE2 GLN 68 -8.705 27.522 -9.723 446 HE22 GLN 68 2HE2 GLN 68 -10.272 27.998 -10.273 447 H ILE 69 H ILE 69 -10.245 21.792 -9.300 448 HA ILE 69 HA ILE 69 -7.997 20.124 -9.295 449 HB ILE 69 HB ILE 69 -10.848 19.329 -9.900 450 HG12 ILE 69 2HG1 ILE 69 -9.435 19.310 -7.230 451 HG13 ILE 69 3HG1 ILE 69 -10.481 20.623 -7.758 452 HG21 ILE 69 1HG2 ILE 69 -8.547 17.702 -8.828 453 HG22 ILE 69 2HG2 ILE 69 -10.191 17.128 -9.104 454 HG23 ILE 69 3HG2 ILE 69 -9.186 17.617 -10.469 455 HD11 ILE 69 3HD1 ILE 69 -11.546 18.941 -6.251 456 HD12 ILE 69 1HD1 ILE 69 -12.381 19.206 -7.781 457 HD13 ILE 69 2HD1 ILE 69 -11.386 17.767 -7.557 458 H GLU 70 H GLU 70 -10.120 21.145 -11.891 459 HA GLU 70 HA GLU 70 -9.419 19.266 -13.836 460 HB2 GLU 70 2HB GLU 70 -10.862 21.735 -13.726 461 HB3 GLU 70 3HB GLU 70 -9.789 21.770 -15.118 462 HG2 GLU 70 2HG GLU 70 -11.721 19.542 -14.528 463 HG3 GLU 70 3HG GLU 70 -12.062 20.901 -15.598 464 H ALA 71 H ALA 71 -8.042 22.500 -13.250 465 HA ALA 71 HA ALA 71 -6.101 22.520 -15.210 466 HB1 ALA 71 1HB ALA 71 -6.804 24.209 -13.215 467 HB2 ALA 71 2HB ALA 71 -5.236 23.645 -12.636 468 HB3 ALA 71 3HB ALA 71 -5.370 24.403 -14.223 469 H GLY 72 H GLY 72 -6.048 20.940 -12.064 470 HA2 GLY 72 2HA GLY 72 -4.690 18.810 -12.169 471 HA3 GLY 72 3HA GLY 72 -3.385 19.849 -12.723 472 H TYR 73 H TYR 73 -4.906 21.761 -10.633 473 HA TYR 73 HA TYR 73 -2.933 21.494 -8.621 474 HB2 TYR 73 2HB TYR 73 -5.564 22.964 -8.397 475 HB3 TYR 73 3HB TYR 73 -4.096 23.263 -7.472 476 HD1 TYR 73 HD1 TYR 73 -1.972 23.487 -9.308 477 HD2 TYR 73 HD2 TYR 73 -6.017 24.690 -9.849 478 HE1 TYR 73 HE1 TYR 73 -1.250 25.139 -10.981 479 HE2 TYR 73 HE2 TYR 73 -5.307 26.345 -11.524 480 HH TYR 73 HH TYR 73 -3.370 26.673 -13.082 481 H VAL 74 H VAL 74 -2.832 19.891 -7.203 482 HA VAL 74 HA VAL 74 -5.349 18.845 -6.079 483 HB VAL 74 HB VAL 74 -4.197 16.712 -5.700 484 HG11 VAL 74 1HG1 VAL 74 -4.066 17.673 -8.557 485 HG12 VAL 74 2HG1 VAL 74 -4.069 15.984 -8.043 486 HG13 VAL 74 3HG1 VAL 74 -5.480 17.001 -7.744 487 HG21 VAL 74 3HG2 VAL 74 -1.880 18.287 -6.388 488 HG22 VAL 74 1HG2 VAL 74 -1.974 16.698 -5.627 489 HG23 VAL 74 2HG2 VAL 74 -1.979 16.836 -7.386 490 H LEU 75 H LEU 75 -5.616 18.996 -3.944 491 HA LEU 75 HA LEU 75 -3.744 20.393 -2.336 492 HB2 LEU 75 2HB LEU 75 -6.241 18.857 -1.655 493 HB3 LEU 75 3HB LEU 75 -5.301 19.757 -0.466 494 HG LEU 75 HG LEU 75 -6.855 20.858 -2.800 495 HD11 LEU 75 1HD1 LEU 75 -8.319 20.494 -1.020 496 HD12 LEU 75 2HD1 LEU 75 -7.861 22.189 -0.858 497 HD13 LEU 75 3HD1 LEU 75 -7.123 20.974 0.184 498 HD21 LEU 75 3HD2 LEU 75 -4.748 22.054 -2.652 499 HD22 LEU 75 1HD2 LEU 75 -4.983 22.295 -0.921 500 HD23 LEU 75 2HD2 LEU 75 -6.070 23.069 -2.074 501 H THR 76 H THR 76 -1.870 19.525 -1.736 502 HA THR 76 HA THR 76 -1.336 16.770 -1.547 503 HB THR 76 HB THR 76 0.772 17.396 -0.482 504 HG1 THR 76 HG1 THR 76 1.076 19.344 0.398 505 HG21 THR 76 3HG2 THR 76 1.450 17.888 -2.545 506 HG22 THR 76 1HG2 THR 76 0.951 19.560 -2.293 507 HG23 THR 76 2HG2 THR 76 -0.180 18.397 -2.985 508 H CYS 77 H CYS 77 -2.806 18.959 0.648 509 HA CYS 77 HA CYS 77 -2.208 17.487 3.040 510 HB2 CYS 77 2HB CYS 77 -3.672 19.032 4.156 511 HB3 CYS 77 3HB CYS 77 -2.710 19.942 2.996 512 H VAL 78 H VAL 78 -4.212 16.900 0.457 513 HA VAL 78 HA VAL 78 -5.605 14.813 1.890 514 HB VAL 78 HB VAL 78 -7.837 15.589 0.863 515 HG11 VAL 78 1HG1 VAL 78 -6.868 17.312 3.120 516 HG12 VAL 78 2HG1 VAL 78 -8.462 16.596 2.878 517 HG13 VAL 78 3HG1 VAL 78 -7.092 15.574 3.316 518 HG21 VAL 78 3HG2 VAL 78 -6.273 17.615 -0.140 519 HG22 VAL 78 1HG2 VAL 78 -8.033 17.627 -0.037 520 HG23 VAL 78 2HG2 VAL 78 -7.071 18.378 1.236 521 H ALA 79 H ALA 79 -3.706 14.509 -0.021 522 HA ALA 79 HA ALA 79 -5.247 13.693 -2.399 523 HB1 ALA 79 1HB ALA 79 -2.453 14.770 -2.178 524 HB2 ALA 79 2HB ALA 79 -2.996 13.861 -3.589 525 HB3 ALA 79 3HB ALA 79 -3.795 15.372 -3.153 526 H TYR 80 H TYR 80 -5.248 11.591 -2.887 527 HA TYR 80 HA TYR 80 -3.387 9.840 -1.427 528 HB2 TYR 80 2HB TYR 80 -6.108 9.214 -2.589 529 HB3 TYR 80 3HB TYR 80 -5.069 8.058 -1.764 530 HD1 TYR 80 HD1 TYR 80 -4.210 9.071 0.634 531 HD2 TYR 80 HD2 TYR 80 -7.863 10.008 -1.336 532 HE1 TYR 80 HE1 TYR 80 -5.201 9.714 2.792 533 HE2 TYR 80 HE2 TYR 80 -8.864 10.655 0.816 534 HH TYR 80 HH TYR 80 -8.526 10.196 3.214 535 HA PRO 81 HA PRO 81 -1.954 9.532 -5.777 536 HB2 PRO 81 2HB PRO 81 0.644 9.114 -5.106 537 HB3 PRO 81 3HB PRO 81 -0.070 10.727 -5.229 538 HG2 PRO 81 2HG PRO 81 0.439 9.061 -2.794 539 HG3 PRO 81 3HG PRO 81 0.713 10.796 -3.040 540 HD2 PRO 81 2HD PRO 81 -1.448 9.836 -1.721 541 HD3 PRO 81 3HD PRO 81 -1.502 11.325 -2.686 542 H THR 82 H THR 82 -3.180 7.526 -5.829 543 HA THR 82 HA THR 82 -2.404 5.123 -4.655 544 HB THR 82 HB THR 82 -3.455 4.387 -7.131 545 HG1 THR 82 HG1 THR 82 -4.619 6.007 -7.829 546 HG21 THR 82 3HG2 THR 82 -5.599 4.192 -5.809 547 HG22 THR 82 1HG2 THR 82 -4.743 4.945 -4.464 548 HG23 THR 82 2HG2 THR 82 -4.195 3.394 -5.101 549 H SER 83 H SER 83 -1.023 6.851 -7.298 550 HA SER 83 HA SER 83 0.993 4.754 -7.596 551 HB2 SER 83 2HB SER 83 -0.190 6.085 -10.031 552 HB3 SER 83 3HB SER 83 0.867 4.675 -9.964 553 HG SER 83 HG SER 83 -0.960 3.695 -8.735 554 H ASP 84 H ASP 84 2.842 5.595 -9.025 555 HA ASP 84 HA ASP 84 4.038 7.775 -7.835 556 HB2 ASP 84 2HB ASP 84 5.512 7.820 -9.910 557 HB3 ASP 84 3HB ASP 84 5.419 6.283 -9.054 558 H CYS 85 H CYS 85 4.298 9.937 -8.345 559 HA CYS 85 HA CYS 85 3.045 11.101 -10.653 560 HB2 CYS 85 2HB CYS 85 1.534 12.586 -9.296 561 HB3 CYS 85 3HB CYS 85 1.047 10.896 -9.351 562 HG CYS 85 HG CYS 85 2.444 10.489 -6.777 563 H THR 86 H THR 86 3.530 13.342 -10.902 564 HA THR 86 HA THR 86 5.772 14.222 -9.204 565 HB THR 86 HB THR 86 5.215 14.920 -12.094 566 HG1 THR 86 HG1 THR 86 6.337 13.173 -12.458 567 HG21 THR 86 3HG2 THR 86 7.023 16.048 -10.067 568 HG22 THR 86 1HG2 THR 86 6.409 16.758 -11.559 569 HG23 THR 86 2HG2 THR 86 7.785 15.656 -11.608 570 H ILE 87 H ILE 87 4.161 15.144 -7.745 571 HA ILE 87 HA ILE 87 2.422 17.230 -8.594 572 HB ILE 87 HB ILE 87 3.457 16.667 -5.813 573 HG12 ILE 87 2HG1 ILE 87 0.753 15.851 -6.196 574 HG13 ILE 87 3HG1 ILE 87 1.716 15.157 -7.496 575 HG21 ILE 87 1HG2 ILE 87 1.013 17.725 -5.459 576 HG22 ILE 87 2HG2 ILE 87 2.495 18.681 -5.472 577 HG23 ILE 87 3HG2 ILE 87 1.502 18.575 -6.925 578 HD11 ILE 87 3HD1 ILE 87 1.425 13.793 -5.367 579 HD12 ILE 87 1HD1 ILE 87 3.056 13.957 -6.015 580 HD13 ILE 87 2HD1 ILE 87 2.555 14.930 -4.632 581 H GLU 88 H GLU 88 2.754 19.363 -8.795 582 HA GLU 88 HA GLU 88 5.467 20.359 -8.320 583 HB2 GLU 88 2HB GLU 88 3.191 21.278 -10.051 584 HB3 GLU 88 3HB GLU 88 4.514 22.366 -9.658 585 HG2 GLU 88 2HG GLU 88 6.096 20.725 -10.608 586 HG3 GLU 88 3HG GLU 88 4.724 19.725 -11.084 587 H THR 89 H THR 89 5.701 21.111 -6.307 588 HA THR 89 HA THR 89 3.584 22.270 -4.792 589 HB THR 89 HB THR 89 5.175 22.630 -3.060 590 HG1 THR 89 HG1 THR 89 7.358 22.006 -4.730 591 HG21 THR 89 3HG2 THR 89 5.903 20.154 -4.627 592 HG22 THR 89 1HG2 THR 89 4.668 20.293 -3.376 593 HG23 THR 89 2HG2 THR 89 6.373 20.451 -2.953 594 H HIS 90 H HIS 90 4.130 24.470 -3.637 595 HA HIS 90 HA HIS 90 4.158 26.738 -3.820 596 HB2 HIS 90 2HB HIS 90 6.318 26.067 -5.823 597 HB3 HIS 90 3HB HIS 90 5.947 27.709 -5.305 598 HD1 HIS 90 HD1 HIS 90 6.437 24.515 -3.287 599 HD2 HIS 90 HD2 HIS 90 7.907 28.389 -3.579 600 HE1 HIS 90 HE1 HIS 90 8.111 24.740 -1.424 601 H LYS 91 H LYS 91 2.189 25.365 -5.304 602 HA LYS 91 HA LYS 91 1.864 27.177 -7.606 603 HB2 LYS 91 2HB LYS 91 0.998 24.302 -7.297 604 HB3 LYS 91 3HB LYS 91 0.401 25.355 -8.573 605 HG2 LYS 91 2HG LYS 91 3.301 24.680 -8.129 606 HG3 LYS 91 3HG LYS 91 2.243 23.880 -9.294 607 HD2 LYS 91 2HD LYS 91 1.873 26.529 -9.886 608 HD3 LYS 91 3HD LYS 91 3.579 26.479 -9.438 609 HE2 LYS 91 2HE LYS 91 3.558 24.351 -11.006 610 HE3 LYS 91 3HE LYS 91 2.161 25.170 -11.704 611 HZ1 LYS 91 3HZ LYS 91 4.145 27.084 -11.409 612 HZ2 LYS 91 1HZ LYS 91 3.566 26.415 -12.851 613 HZ3 LYS 91 2HZ LYS 91 4.902 25.726 -12.076 614 H GLU 92 H GLU 92 1.024 28.350 -5.490 615 HA GLU 92 HA GLU 92 -1.886 27.902 -5.417 616 HB2 GLU 92 2HB GLU 92 -1.939 28.512 -3.080 617 HB3 GLU 92 3HB GLU 92 -0.808 27.184 -3.302 618 HG2 GLU 92 2HG GLU 92 0.055 30.057 -3.172 619 HG3 GLU 92 3HG GLU 92 -0.078 29.025 -1.750 620 H GLU 93 H GLU 93 -0.369 29.663 -7.133 621 HA GLU 93 HA GLU 93 -1.235 32.287 -6.112 622 HB2 GLU 93 2HB GLU 93 0.903 31.642 -8.150 623 HB3 GLU 93 3HB GLU 93 0.407 33.264 -7.688 624 HG2 GLU 93 2HG GLU 93 0.990 32.155 -5.271 625 HG3 GLU 93 3HG GLU 93 2.166 31.372 -6.325 626 H ASP 94 H ASP 94 -1.570 29.942 -8.613 627 HA ASP 94 HA ASP 94 -2.601 31.537 -10.679 628 HB2 ASP 94 2HB ASP 94 -2.431 28.697 -10.058 629 HB3 ASP 94 3HB ASP 94 -3.926 29.103 -10.896 630 H LEU 95 H LEU 95 -4.087 30.166 -7.818 631 HA LEU 95 HA LEU 95 -6.780 30.688 -8.603 632 HB2 LEU 95 2HB LEU 95 -5.906 30.491 -5.751 633 HB3 LEU 95 3HB LEU 95 -7.403 29.936 -6.499 634 HG LEU 95 HG LEU 95 -4.683 28.649 -6.680 635 HD11 LEU 95 1HD1 LEU 95 -7.239 27.445 -5.674 636 HD12 LEU 95 2HD1 LEU 95 -6.166 28.364 -4.618 637 HD13 LEU 95 3HD1 LEU 95 -5.580 26.903 -5.414 638 HD21 LEU 95 3HD2 LEU 95 -6.453 26.909 -7.823 639 HD22 LEU 95 1HD2 LEU 95 -5.346 27.961 -8.705 640 HD23 LEU 95 2HD2 LEU 95 -7.014 28.465 -8.436 641 H TYR 96 H TYR 96 -4.846 32.175 -5.997 642 HA TYR 96 HA TYR 96 -6.563 34.448 -5.839 643 HB2 TYR 96 2HB TYR 96 -3.776 34.145 -4.708 644 HB3 TYR 96 3HB TYR 96 -5.011 35.286 -4.186 645 HD1 TYR 96 HD2 TYR 96 -3.919 31.788 -4.106 646 HD2 TYR 96 HD1 TYR 96 -6.861 34.568 -2.795 647 HE1 TYR 96 HE2 TYR 96 -4.723 30.150 -2.456 648 HE2 TYR 96 HE1 TYR 96 -7.672 32.939 -1.140 649 HH TYR 96 HH TYR 96 -6.237 29.698 -0.897 Start of MODEL 5 1 H1 ALA 1 H ALA 1 0.212 0.951 0.014 2 HA ALA 1 HA ALA 1 2.250 -0.384 -1.126 3 HB1 ALA 1 1HB ALA 1 1.455 -0.102 -3.661 4 HB2 ALA 1 2HB ALA 1 1.226 -1.593 -2.746 5 HB3 ALA 1 3HB ALA 1 -0.105 -0.448 -2.914 6 H SER 2 H SER 2 3.345 1.448 -0.521 7 HA SER 2 HA SER 2 2.630 4.076 -1.257 8 HB2 SER 2 2HB SER 2 4.389 4.683 0.027 9 HB3 SER 2 3HB SER 2 4.471 2.973 0.452 10 HG SER 2 HG SER 2 6.160 2.709 -0.846 11 H TYR 3 H TYR 3 3.245 5.375 -2.929 12 HA TYR 3 HA TYR 3 4.788 4.096 -5.090 13 HB2 TYR 3 2HB TYR 3 2.286 5.742 -5.176 14 HB3 TYR 3 3HB TYR 3 3.385 5.760 -6.550 15 HD1 TYR 3 HD2 TYR 3 3.862 3.632 -7.767 16 HD2 TYR 3 HD1 TYR 3 0.855 3.890 -4.768 17 HE1 TYR 3 HE2 TYR 3 2.854 1.551 -8.606 18 HE2 TYR 3 HE1 TYR 3 -0.160 1.809 -5.598 19 HH TYR 3 HH TYR 3 1.079 -0.356 -7.132 20 H THR 4 H THR 4 6.172 5.414 -6.315 21 HA THR 4 HA THR 4 7.591 7.361 -4.892 22 HB THR 4 HB THR 4 8.661 6.145 -6.686 23 HG1 THR 4 HG1 THR 4 9.547 7.989 -7.826 24 HG21 THR 4 3HG2 THR 4 8.080 6.362 -8.986 25 HG22 THR 4 1HG2 THR 4 6.937 7.659 -8.642 26 HG23 THR 4 2HG2 THR 4 6.587 6.013 -8.116 27 H VAL 5 H VAL 5 7.130 9.409 -4.464 28 HA VAL 5 HA VAL 5 5.274 10.840 -6.253 29 HB VAL 5 HB VAL 5 5.680 11.237 -3.286 30 HG11 VAL 5 1HG1 VAL 5 4.880 13.286 -3.595 31 HG12 VAL 5 2HG1 VAL 5 4.633 12.983 -5.316 32 HG13 VAL 5 3HG1 VAL 5 3.373 12.562 -4.156 33 HG21 VAL 5 3HG2 VAL 5 3.588 9.859 -4.916 34 HG22 VAL 5 1HG2 VAL 5 4.373 9.338 -3.425 35 HG23 VAL 5 2HG2 VAL 5 3.153 10.610 -3.381 36 H LYS 6 H LYS 6 6.328 12.267 -7.458 37 HA LYS 6 HA LYS 6 8.837 13.412 -6.564 38 HB2 LYS 6 2HB LYS 6 7.932 12.672 -9.018 39 HB3 LYS 6 3HB LYS 6 7.617 14.401 -9.063 40 HG2 LYS 6 2HG LYS 6 9.731 14.703 -9.638 41 HG3 LYS 6 3HG LYS 6 10.198 14.148 -8.028 42 HD2 LYS 6 2HD LYS 6 11.375 12.654 -9.288 43 HD3 LYS 6 3HD LYS 6 9.851 11.773 -9.159 44 HE2 LYS 6 2HE LYS 6 9.264 13.126 -11.335 45 HE3 LYS 6 3HE LYS 6 11.018 13.233 -11.481 46 HZ1 LYS 6 3HZ LYS 6 11.084 10.783 -11.290 47 HZ2 LYS 6 1HZ LYS 6 10.261 11.322 -12.667 48 HZ3 LYS 6 2HZ LYS 6 9.393 10.754 -11.330 49 H LEU 7 H LEU 7 8.830 15.135 -5.288 50 HA LEU 7 HA LEU 7 6.634 17.071 -5.514 51 HB2 LEU 7 2HB LEU 7 8.432 16.207 -3.317 52 HB3 LEU 7 3HB LEU 7 7.887 17.883 -3.312 53 HG LEU 7 HG LEU 7 5.961 15.579 -3.459 54 HD11 LEU 7 1HD1 LEU 7 5.802 15.467 -1.144 55 HD12 LEU 7 2HD1 LEU 7 6.659 16.991 -0.911 56 HD13 LEU 7 3HD1 LEU 7 7.541 15.553 -1.426 57 HD21 LEU 7 3HD2 LEU 7 5.573 18.230 -3.864 58 HD22 LEU 7 1HD2 LEU 7 5.279 18.109 -2.129 59 HD23 LEU 7 2HD2 LEU 7 4.341 17.124 -3.253 60 H ILE 8 H ILE 8 7.243 18.425 -7.139 61 HA ILE 8 HA ILE 8 9.912 19.396 -7.445 62 HB ILE 8 HB ILE 8 7.421 20.604 -8.641 63 HG12 ILE 8 2HG1 ILE 8 7.443 18.194 -9.091 64 HG13 ILE 8 3HG1 ILE 8 7.779 19.106 -10.559 65 HG21 ILE 8 1HG2 ILE 8 9.257 22.025 -9.006 66 HG22 ILE 8 2HG2 ILE 8 10.341 20.675 -9.340 67 HG23 ILE 8 3HG2 ILE 8 9.083 21.104 -10.499 68 HD11 ILE 8 3HD1 ILE 8 9.538 17.795 -10.841 69 HD12 ILE 8 1HD1 ILE 8 10.277 18.607 -9.461 70 HD13 ILE 8 2HD1 ILE 8 9.370 17.112 -9.224 71 H THR 9 H THR 9 10.852 21.150 -6.604 72 HA THR 9 HA THR 9 9.203 23.257 -5.423 73 HB THR 9 HB THR 9 10.257 23.249 -3.318 74 HG1 THR 9 HG1 THR 9 12.181 22.339 -2.940 75 HG21 THR 9 3HG2 THR 9 8.656 21.279 -3.904 76 HG22 THR 9 1HG2 THR 9 9.556 21.245 -2.388 77 HG23 THR 9 2HG2 THR 9 10.112 20.293 -3.766 78 HA PRO 10 HA PRO 10 12.191 25.960 -7.171 79 HB2 PRO 10 2HB PRO 10 12.053 28.058 -5.454 80 HB3 PRO 10 3HB PRO 10 10.775 27.683 -6.616 81 HG2 PRO 10 2HG PRO 10 10.928 27.041 -3.696 82 HG3 PRO 10 3HG PRO 10 9.551 27.639 -4.639 83 HD2 PRO 10 2HD PRO 10 9.826 25.034 -3.954 84 HD3 PRO 10 3HD PRO 10 9.046 25.547 -5.465 85 H ASP 11 H ASP 11 12.619 24.545 -4.127 86 HA ASP 11 HA ASP 11 15.335 25.650 -3.873 87 HB2 ASP 11 2HB ASP 11 13.771 24.142 -1.771 88 HB3 ASP 11 3HB ASP 11 15.277 25.029 -1.548 89 H GLY 12 H GLY 12 14.201 23.352 -5.567 90 HA2 GLY 12 2HA GLY 12 16.071 21.744 -6.207 91 HA3 GLY 12 3HA GLY 12 15.952 21.212 -4.536 92 H GLU 13 H GLU 13 15.665 19.180 -6.004 93 HA GLU 13 HA GLU 13 12.766 18.752 -6.290 94 HB2 GLU 13 2HB GLU 13 14.990 17.941 -8.141 95 HB3 GLU 13 3HB GLU 13 13.471 17.056 -8.110 96 HG2 GLU 13 2HG GLU 13 12.254 19.061 -8.701 97 HG3 GLU 13 3HG GLU 13 13.742 20.005 -8.650 98 H SER 14 H SER 14 12.009 17.159 -5.069 99 HA SER 14 HA SER 14 13.886 15.077 -4.156 100 HB2 SER 14 2HB SER 14 12.393 16.931 -2.599 101 HB3 SER 14 3HB SER 14 11.698 15.332 -2.331 102 HG SER 14 HG SER 14 14.451 15.991 -2.103 103 H SER 15 H SER 15 12.712 13.069 -3.389 104 HA SER 15 HA SER 15 10.228 12.564 -4.852 105 HB2 SER 15 2HB SER 15 12.856 11.467 -5.524 106 HB3 SER 15 3HB SER 15 11.635 10.221 -5.268 107 HG SER 15 HG SER 15 10.637 10.832 -7.026 108 H ILE 16 H ILE 16 9.188 12.457 -2.849 109 HA ILE 16 HA ILE 16 10.094 10.542 -0.868 110 HB ILE 16 HB ILE 16 8.097 11.265 0.415 111 HG12 ILE 16 2HG1 ILE 16 7.602 13.555 -1.379 112 HG13 ILE 16 3HG1 ILE 16 7.060 11.998 -1.994 113 HG21 ILE 16 1HG2 ILE 16 8.875 13.610 0.780 114 HG22 ILE 16 2HG2 ILE 16 10.159 12.403 0.816 115 HG23 ILE 16 3HG2 ILE 16 9.940 13.415 -0.611 116 HD11 ILE 16 3HD1 ILE 16 6.324 12.508 0.787 117 HD12 ILE 16 1HD1 ILE 16 5.619 13.630 -0.376 118 HD13 ILE 16 2HD1 ILE 16 5.358 11.895 -0.555 119 H GLU 17 H GLU 17 8.006 9.337 0.162 120 HA GLU 17 HA GLU 17 6.634 7.959 -2.047 121 HB2 GLU 17 2HB GLU 17 8.603 6.860 -0.339 122 HB3 GLU 17 3HB GLU 17 7.064 6.169 0.155 123 HG2 GLU 17 2HG GLU 17 7.839 4.678 -1.432 124 HG3 GLU 17 3HG GLU 17 6.709 5.684 -2.338 125 H CYS 18 H CYS 18 4.507 8.075 -1.842 126 HA CYS 18 HA CYS 18 3.369 8.389 0.857 127 HB2 CYS 18 2HB CYS 18 3.070 10.360 -0.619 128 HB3 CYS 18 3HB CYS 18 2.212 9.343 -1.771 129 HG CYS 18 HG CYS 18 1.119 9.782 1.436 130 H SER 19 H SER 19 1.503 7.243 1.395 131 HA SER 19 HA SER 19 1.122 4.805 -0.166 132 HB2 SER 19 2HB SER 19 -0.441 4.986 2.282 133 HB3 SER 19 3HB SER 19 0.764 3.789 1.807 134 HG SER 19 HG SER 19 2.201 4.797 2.965 135 H ASP 20 H ASP 20 -1.036 3.984 -0.569 136 HA ASP 20 HA ASP 20 -2.694 5.805 -1.870 137 HB2 ASP 20 2HB ASP 20 -4.320 3.982 -2.019 138 HB3 ASP 20 3HB ASP 20 -2.693 3.391 -2.343 139 H ASP 21 H ASP 21 -2.956 4.412 1.374 140 HA ASP 21 HA ASP 21 -5.290 6.086 1.924 141 HB2 ASP 21 2HB ASP 21 -5.001 3.563 2.575 142 HB3 ASP 21 3HB ASP 21 -4.080 4.215 3.927 143 H THR 22 H THR 22 -2.606 7.217 1.588 144 HA THR 22 HA THR 22 -2.422 8.560 4.195 145 HB THR 22 HB THR 22 0.035 7.885 2.582 146 HG1 THR 22 HG1 THR 22 0.320 6.257 4.299 147 HG21 THR 22 3HG2 THR 22 0.960 8.182 5.021 148 HG22 THR 22 1HG2 THR 22 -0.526 9.102 5.250 149 HG23 THR 22 2HG2 THR 22 0.631 9.591 4.012 150 H TYR 23 H TYR 23 -1.476 10.695 4.104 151 HA TYR 23 HA TYR 23 -2.168 12.052 1.626 152 HB2 TYR 23 2HB TYR 23 -1.193 13.396 4.135 153 HB3 TYR 23 3HB TYR 23 -2.235 14.046 2.874 154 HD1 TYR 23 HD2 TYR 23 -4.609 13.458 2.795 155 HD2 TYR 23 HD1 TYR 23 -2.087 12.016 5.904 156 HE1 TYR 23 HE2 TYR 23 -6.593 12.841 4.111 157 HE2 TYR 23 HE1 TYR 23 -4.064 11.394 7.228 158 HH TYR 23 HH TYR 23 -6.614 12.295 7.263 159 H ILE 24 H ILE 24 -0.770 13.283 0.404 160 HA ILE 24 HA ILE 24 1.911 12.430 0.255 161 HB ILE 24 HB ILE 24 0.645 14.888 -0.963 162 HG12 ILE 24 2HG1 ILE 24 1.255 12.491 -2.589 163 HG13 ILE 24 3HG1 ILE 24 -0.069 12.321 -1.442 164 HG21 ILE 24 1HG2 ILE 24 2.507 14.740 -2.588 165 HG22 ILE 24 2HG2 ILE 24 3.041 15.108 -0.949 166 HG23 ILE 24 3HG2 ILE 24 3.233 13.477 -1.593 167 HD11 ILE 24 3HD1 ILE 24 -0.469 14.773 -2.736 168 HD12 ILE 24 1HD1 ILE 24 -0.030 13.613 -3.989 169 HD13 ILE 24 2HD1 ILE 24 -1.395 13.284 -2.921 170 H LEU 25 H LEU 25 0.445 15.402 1.519 171 HA LEU 25 HA LEU 25 2.715 16.863 2.087 172 HB2 LEU 25 2HB LEU 25 0.270 17.513 2.360 173 HB3 LEU 25 3HB LEU 25 0.349 16.728 3.936 174 HG LEU 25 HG LEU 25 2.257 18.333 4.462 175 HD11 LEU 25 1HD1 LEU 25 2.648 20.185 3.149 176 HD12 LEU 25 2HD1 LEU 25 1.096 20.062 2.322 177 HD13 LEU 25 3HD1 LEU 25 2.394 18.933 1.934 178 HD21 LEU 25 3HD2 LEU 25 -0.626 19.024 4.175 179 HD22 LEU 25 1HD2 LEU 25 0.507 20.281 4.671 180 HD23 LEU 25 2HD2 LEU 25 0.345 18.811 5.632 181 H ASP 26 H ASP 26 1.020 14.649 4.312 182 HA ASP 26 HA ASP 26 2.758 14.789 6.451 183 HB2 ASP 26 2HB ASP 26 0.559 13.207 5.726 184 HB3 ASP 26 3HB ASP 26 1.856 12.067 6.074 185 H ALA 27 H ALA 27 2.951 12.703 3.595 186 HA ALA 27 HA ALA 27 5.270 11.297 4.436 187 HB1 ALA 27 1HB ALA 27 4.023 10.187 2.820 188 HB2 ALA 27 2HB ALA 27 3.871 11.624 1.808 189 HB3 ALA 27 3HB ALA 27 5.416 10.780 1.915 190 H ALA 28 H ALA 28 4.749 14.369 2.935 191 HA ALA 28 HA ALA 28 7.448 14.629 1.941 192 HB1 ALA 28 1HB ALA 28 5.517 15.704 0.823 193 HB2 ALA 28 2HB ALA 28 5.332 16.757 2.226 194 HB3 ALA 28 3HB ALA 28 6.798 16.840 1.248 195 H GLU 29 H GLU 29 5.565 16.525 4.312 196 HA GLU 29 HA GLU 29 7.663 17.930 5.426 197 HB2 GLU 29 2HB GLU 29 6.233 18.156 7.444 198 HB3 GLU 29 3HB GLU 29 5.376 18.491 5.946 199 HG2 GLU 29 2HG GLU 29 3.814 17.156 6.832 200 HG3 GLU 29 3HG GLU 29 4.848 15.864 6.225 201 H GLU 30 H GLU 30 6.433 14.732 6.321 202 HA GLU 30 HA GLU 30 7.911 14.257 8.603 203 HB2 GLU 30 2HB GLU 30 6.188 12.726 7.811 204 HB3 GLU 30 3HB GLU 30 7.173 12.304 6.418 205 HG2 GLU 30 2HG GLU 30 8.383 10.830 7.572 206 HG3 GLU 30 3HG GLU 30 8.532 11.900 8.964 207 H ALA 31 H ALA 31 8.899 14.003 5.232 208 HA ALA 31 HA ALA 31 11.503 12.945 5.906 209 HB1 ALA 31 1HB ALA 31 9.951 12.817 3.664 210 HB2 ALA 31 2HB ALA 31 11.155 14.023 3.209 211 HB3 ALA 31 3HB ALA 31 11.668 12.420 3.735 212 H GLY 32 H GLY 32 10.051 16.042 5.490 213 HA2 GLY 32 2HA GLY 32 11.103 18.028 6.265 214 HA3 GLY 32 3HA GLY 32 12.666 17.290 5.949 215 H LEU 33 H LEU 33 9.805 17.688 3.875 216 HA LEU 33 HA LEU 33 11.484 18.613 1.714 217 HB2 LEU 33 2HB LEU 33 8.678 17.752 2.043 218 HB3 LEU 33 3HB LEU 33 8.988 18.923 0.763 219 HG LEU 33 HG LEU 33 8.965 16.527 0.036 220 HD11 LEU 33 1HD1 LEU 33 10.370 18.575 -0.923 221 HD12 LEU 33 2HD1 LEU 33 10.457 16.956 -1.616 222 HD13 LEU 33 3HD1 LEU 33 11.707 17.506 -0.499 223 HD21 LEU 33 3HD2 LEU 33 10.902 15.147 0.531 224 HD22 LEU 33 1HD2 LEU 33 10.060 15.585 2.018 225 HD23 LEU 33 2HD2 LEU 33 11.556 16.409 1.577 226 H ASP 34 H ASP 34 9.465 19.994 4.148 227 HA ASP 34 HA ASP 34 8.944 22.139 4.699 228 HB2 ASP 34 2HB ASP 34 11.058 23.073 2.771 229 HB3 ASP 34 3HB ASP 34 10.552 23.811 4.288 230 H LEU 35 H LEU 35 6.924 21.765 3.536 231 HA LEU 35 HA LEU 35 6.732 23.068 0.924 232 HB2 LEU 35 2HB LEU 35 5.244 20.999 2.348 233 HB3 LEU 35 3HB LEU 35 4.209 22.187 1.559 234 HG LEU 35 HG LEU 35 5.145 21.666 -0.588 235 HD11 LEU 35 1HD1 LEU 35 7.312 21.121 -0.608 236 HD12 LEU 35 2HD1 LEU 35 6.754 19.472 -0.330 237 HD13 LEU 35 3HD1 LEU 35 7.262 20.472 1.031 238 HD21 LEU 35 3HD2 LEU 35 4.585 19.099 0.894 239 HD22 LEU 35 1HD2 LEU 35 4.424 19.375 -0.841 240 HD23 LEU 35 2HD2 LEU 35 3.354 20.208 0.287 241 HA PRO 36 HA PRO 36 4.783 26.727 2.357 242 HB2 PRO 36 2HB PRO 36 2.822 27.124 0.522 243 HB3 PRO 36 3HB PRO 36 4.536 27.354 0.160 244 HG2 PRO 36 2HG PRO 36 2.770 25.014 -0.446 245 HG3 PRO 36 3HG PRO 36 3.982 25.797 -1.476 246 HD2 PRO 36 2HD PRO 36 4.474 23.493 -0.142 247 HD3 PRO 36 3HD PRO 36 5.737 24.699 -0.462 248 H TYR 37 H TYR 37 3.223 23.789 2.521 249 HA TYR 37 HA TYR 37 0.580 24.204 3.003 250 HB2 TYR 37 2HB TYR 37 0.587 22.257 4.364 251 HB3 TYR 37 3HB TYR 37 1.874 22.027 3.185 252 HD1 TYR 37 HD1 TYR 37 4.248 22.300 3.887 253 HD2 TYR 37 HD2 TYR 37 1.052 22.357 6.695 254 HE1 TYR 37 HE1 TYR 37 5.850 21.896 5.709 255 HE2 TYR 37 HE2 TYR 37 2.646 21.955 8.525 256 HH TYR 37 HH TYR 37 6.089 21.427 7.880 257 H SER 38 H SER 38 -0.668 24.513 4.956 258 HA SER 38 HA SER 38 0.674 25.903 7.144 259 HB2 SER 38 2HB SER 38 -0.008 27.637 5.468 260 HB3 SER 38 3HB SER 38 -1.682 27.133 5.696 261 HG SER 38 HG SER 38 -1.698 28.430 7.336 262 H CYS 39 H CYS 39 -2.426 24.783 5.824 263 HA CYS 39 HA CYS 39 -3.496 24.413 8.503 264 HB2 CYS 39 2HB CYS 39 -5.591 24.054 7.485 265 HB3 CYS 39 3HB CYS 39 -4.828 25.298 6.500 266 H ARG 40 H ARG 40 -2.221 22.528 5.853 267 HA ARG 40 HA ARG 40 -2.044 20.252 5.534 268 HB2 ARG 40 2HB ARG 40 -0.749 19.185 7.353 269 HB3 ARG 40 3HB ARG 40 -0.110 20.760 6.900 270 HG2 ARG 40 2HG ARG 40 -0.954 21.776 8.854 271 HG3 ARG 40 3HG ARG 40 -1.967 20.380 9.228 272 HD2 ARG 40 2HD ARG 40 0.209 19.061 9.399 273 HD3 ARG 40 3HD ARG 40 1.022 20.625 9.409 274 HE ARG 40 HE ARG 40 -1.065 20.427 11.363 275 HH11 ARG 40 1HH1 ARG 40 2.277 19.723 10.690 276 HH12 ARG 40 2HH1 ARG 40 2.746 19.712 12.357 277 HH21 ARG 40 1HH2 ARG 40 -0.460 20.415 13.563 278 HH22 ARG 40 2HH2 ARG 40 1.189 20.105 13.991 279 H ALA 41 H ALA 41 -4.648 20.634 5.888 280 HA ALA 41 HA ALA 41 -5.443 18.279 7.415 281 HB1 ALA 41 1HB ALA 41 -6.087 21.019 8.172 282 HB2 ALA 41 2HB ALA 41 -7.507 19.986 8.005 283 HB3 ALA 41 3HB ALA 41 -6.207 19.526 9.103 284 H GLY 42 H GLY 42 -6.420 20.889 5.223 285 HA2 GLY 42 2HA GLY 42 -7.226 19.979 3.013 286 HA3 GLY 42 3HA GLY 42 -8.329 19.009 3.978 287 H ALA 43 H ALA 43 -7.391 22.412 3.498 288 HA ALA 43 HA ALA 43 -9.974 23.274 2.826 289 HB1 ALA 43 1HB ALA 43 -9.439 24.386 5.503 290 HB2 ALA 43 2HB ALA 43 -10.967 23.955 4.734 291 HB3 ALA 43 3HB ALA 43 -9.957 22.701 5.454 292 H CYS 44 H CYS 44 -7.479 23.738 1.780 293 HA CYS 44 HA CYS 44 -7.370 26.626 1.885 294 HB2 CYS 44 2HB CYS 44 -5.106 26.856 2.535 295 HB3 CYS 44 3HB CYS 44 -5.816 25.753 3.709 296 H SER 45 H SER 45 -5.036 27.060 0.511 297 HA SER 45 HA SER 45 -5.238 25.404 -1.905 298 HB2 SER 45 2HB SER 45 -6.606 27.331 -2.388 299 HB3 SER 45 3HB SER 45 -5.355 28.426 -1.800 300 HG SER 45 HG SER 45 -4.848 28.455 -3.854 301 H THR 46 H THR 46 -3.323 26.446 0.473 302 HA THR 46 HA THR 46 -0.985 27.179 -1.061 303 HB THR 46 HB THR 46 -1.320 28.196 1.134 304 HG1 THR 46 HG1 THR 46 0.786 27.836 1.881 305 HG21 THR 46 3HG2 THR 46 -1.451 25.349 1.992 306 HG22 THR 46 1HG2 THR 46 -2.391 26.737 2.540 307 HG23 THR 46 2HG2 THR 46 -0.732 26.519 3.098 308 H CYS 47 H CYS 47 -2.401 24.305 0.209 309 HA CYS 47 HA CYS 47 0.076 22.788 0.064 310 HB2 CYS 47 2HB CYS 47 -2.735 21.844 0.667 311 HB3 CYS 47 3HB CYS 47 -1.257 20.910 0.878 312 H ALA 48 H ALA 48 -2.369 23.737 -2.031 313 HA ALA 48 HA ALA 48 -2.756 21.487 -3.646 314 HB1 ALA 48 1HB ALA 48 -2.712 24.349 -4.587 315 HB2 ALA 48 2HB ALA 48 -3.568 22.991 -5.319 316 HB3 ALA 48 3HB ALA 48 -4.071 23.603 -3.744 317 H GLY 49 H GLY 49 -1.736 20.715 -5.480 318 HA2 GLY 49 2HA GLY 49 0.817 21.972 -6.227 319 HA3 GLY 49 3HA GLY 49 0.790 20.269 -5.793 320 H LYS 50 H LYS 50 0.721 22.387 -8.325 321 HA LYS 50 HA LYS 50 -1.121 21.365 -10.129 322 HB2 LYS 50 2HB LYS 50 0.329 23.407 -10.421 323 HB3 LYS 50 3HB LYS 50 1.650 22.327 -10.848 324 HG2 LYS 50 2HG LYS 50 0.661 21.695 -12.845 325 HG3 LYS 50 3HG LYS 50 -0.948 22.198 -12.321 326 HD2 LYS 50 2HD LYS 50 -0.548 24.021 -13.572 327 HD3 LYS 50 3HD LYS 50 0.421 24.547 -12.193 328 HE2 LYS 50 2HE LYS 50 2.399 23.481 -13.246 329 HE3 LYS 50 3HE LYS 50 1.406 23.107 -14.653 330 HZ1 LYS 50 3HZ LYS 50 1.430 25.883 -13.777 331 HZ2 LYS 50 1HZ LYS 50 1.414 25.241 -15.342 332 HZ3 LYS 50 2HZ LYS 50 2.860 25.303 -14.468 333 H ILE 51 H ILE 51 -1.391 19.293 -10.637 334 HA ILE 51 HA ILE 51 1.000 17.627 -11.064 335 HB ILE 51 HB ILE 51 -1.090 17.108 -9.387 336 HG12 ILE 51 2HG1 ILE 51 1.038 15.963 -9.317 337 HG13 ILE 51 3HG1 ILE 51 -0.245 14.760 -9.405 338 HG21 ILE 51 1HG2 ILE 51 -2.594 16.852 -11.344 339 HG22 ILE 51 2HG2 ILE 51 -1.607 15.492 -11.877 340 HG23 ILE 51 3HG2 ILE 51 -2.482 15.401 -10.349 341 HD11 ILE 51 3HD1 ILE 51 0.229 14.894 -11.973 342 HD12 ILE 51 1HD1 ILE 51 1.788 15.520 -11.435 343 HD13 ILE 51 2HD1 ILE 51 1.250 13.923 -10.912 344 H THR 52 H THR 52 1.298 16.600 -12.971 345 HA THR 52 HA THR 52 -0.837 16.787 -14.989 346 HB THR 52 HB THR 52 0.623 18.511 -15.667 347 HG1 THR 52 HG1 THR 52 0.446 17.585 -17.568 348 HG21 THR 52 3HG2 THR 52 2.915 16.604 -15.186 349 HG22 THR 52 1HG2 THR 52 2.504 18.007 -14.201 350 HG23 THR 52 2HG2 THR 52 3.060 18.227 -15.860 351 H ALA 53 H ALA 53 2.142 15.195 -13.949 352 HA ALA 53 HA ALA 53 1.479 12.890 -15.648 353 HB1 ALA 53 1HB ALA 53 3.652 13.229 -16.162 354 HB2 ALA 53 2HB ALA 53 4.003 14.029 -14.629 355 HB3 ALA 53 3HB ALA 53 3.913 12.269 -14.705 356 H GLY 54 H GLY 54 -0.213 12.188 -14.205 357 HA2 GLY 54 2HA GLY 54 0.157 10.052 -12.689 358 HA3 GLY 54 3HA GLY 54 0.612 11.307 -11.546 359 H SER 55 H SER 55 -1.101 10.732 -10.163 360 HA SER 55 HA SER 55 -3.512 12.159 -10.629 361 HB2 SER 55 2HB SER 55 -3.898 10.092 -12.016 362 HB3 SER 55 3HB SER 55 -3.814 9.151 -10.527 363 HG SER 55 HG SER 55 -5.972 9.749 -11.168 364 H VAL 56 H VAL 56 -4.989 12.046 -8.794 365 HA VAL 56 HA VAL 56 -4.039 10.705 -6.401 366 HB VAL 56 HB VAL 56 -4.077 12.816 -5.066 367 HG11 VAL 56 1HG1 VAL 56 -1.968 11.805 -5.703 368 HG12 VAL 56 2HG1 VAL 56 -2.010 12.642 -7.256 369 HG13 VAL 56 3HG1 VAL 56 -1.837 13.563 -5.762 370 HG21 VAL 56 3HG2 VAL 56 -4.940 13.895 -7.572 371 HG22 VAL 56 1HG2 VAL 56 -4.846 14.681 -5.995 372 HG23 VAL 56 2HG2 VAL 56 -3.448 14.692 -7.071 373 H ASP 57 H ASP 57 -5.529 11.373 -4.487 374 HA ASP 57 HA ASP 57 -8.281 11.704 -5.484 375 HB2 ASP 57 2HB ASP 57 -7.159 9.405 -4.257 376 HB3 ASP 57 3HB ASP 57 -8.263 10.130 -3.091 377 H GLN 58 H GLN 58 -9.026 13.573 -4.740 378 HA GLN 58 HA GLN 58 -8.480 14.274 -1.933 379 HB2 GLN 58 2HB GLN 58 -8.658 16.700 -2.763 380 HB3 GLN 58 3HB GLN 58 -7.170 15.825 -3.098 381 HG2 GLN 58 2HG GLN 58 -7.708 15.545 -5.358 382 HG3 GLN 58 3HG GLN 58 -9.400 15.962 -5.094 383 HE21 GLN 58 1HE2 GLN 58 -7.226 17.067 -6.852 384 HE22 GLN 58 2HE2 GLN 58 -7.244 18.766 -6.542 385 H SER 59 H SER 59 -10.563 13.067 -1.723 386 HA SER 59 HA SER 59 -12.920 14.510 -2.645 387 HB2 SER 59 2HB SER 59 -13.931 12.494 -1.150 388 HB3 SER 59 3HB SER 59 -13.487 12.314 -2.847 389 HG SER 59 HG SER 59 -11.944 11.628 -0.571 390 H ASP 60 H ASP 60 -10.970 14.191 0.162 391 HA ASP 60 HA ASP 60 -12.984 15.032 2.038 392 HB2 ASP 60 2HB ASP 60 -10.043 14.487 2.170 393 HB3 ASP 60 3HB ASP 60 -10.807 15.398 3.470 394 H GLN 61 H GLN 61 -10.877 16.574 -0.165 395 HA GLN 61 HA GLN 61 -10.266 18.978 1.034 396 HB2 GLN 61 2HB GLN 61 -10.131 19.926 -1.195 397 HB3 GLN 61 3HB GLN 61 -9.483 18.292 -1.204 398 HG2 GLN 61 2HG GLN 61 -10.743 18.313 -3.120 399 HG3 GLN 61 3HG GLN 61 -11.870 17.621 -1.955 400 HE21 GLN 61 1HE2 GLN 61 -10.844 20.833 -3.070 401 HE22 GLN 61 2HE2 GLN 61 -12.438 21.489 -3.187 402 H SER 62 H SER 62 -11.248 21.133 0.629 403 HA SER 62 HA SER 62 -14.120 21.175 0.215 404 HB2 SER 62 2HB SER 62 -13.167 20.916 2.812 405 HB3 SER 62 3HB SER 62 -13.478 22.645 2.649 406 HG SER 62 HG SER 62 -15.344 20.625 1.954 407 H PHE 63 H PHE 63 -11.649 22.284 -1.002 408 HA PHE 63 HA PHE 63 -12.346 25.141 -0.819 409 HB2 PHE 63 2HB PHE 63 -10.109 24.731 0.085 410 HB3 PHE 63 3HB PHE 63 -9.642 23.916 -1.405 411 HD1 PHE 63 HD1 PHE 63 -9.436 25.219 -3.506 412 HD2 PHE 63 HD2 PHE 63 -10.066 27.085 0.268 413 HE1 PHE 63 HE1 PHE 63 -8.687 27.366 -4.446 414 HE2 PHE 63 HE2 PHE 63 -9.319 29.235 -0.666 415 HZ PHE 63 HZ PHE 63 -8.629 29.378 -3.026 416 H LEU 64 H LEU 64 -10.568 22.986 -3.039 417 HA LEU 64 HA LEU 64 -11.069 24.406 -5.367 418 HB2 LEU 64 2HB LEU 64 -10.866 21.409 -5.226 419 HB3 LEU 64 3HB LEU 64 -10.418 22.459 -6.568 420 HG LEU 64 HG LEU 64 -8.995 22.270 -3.913 421 HD11 LEU 64 1HD1 LEU 64 -8.848 20.382 -5.713 422 HD12 LEU 64 2HD1 LEU 64 -7.388 20.980 -4.926 423 HD13 LEU 64 3HD1 LEU 64 -7.806 21.536 -6.547 424 HD21 LEU 64 3HD2 LEU 64 -9.073 24.388 -5.744 425 HD22 LEU 64 1HD2 LEU 64 -7.540 23.562 -6.026 426 HD23 LEU 64 2HD2 LEU 64 -7.938 24.157 -4.413 427 H ASP 65 H ASP 65 -12.360 23.424 -7.271 428 HA ASP 65 HA ASP 65 -14.987 22.476 -6.359 429 HB2 ASP 65 2HB ASP 65 -14.361 25.037 -7.614 430 HB3 ASP 65 3HB ASP 65 -15.587 24.131 -8.497 431 H ASP 66 H ASP 66 -13.508 23.423 -9.462 432 HA ASP 66 HA ASP 66 -13.474 20.695 -10.391 433 HB2 ASP 66 2HB ASP 66 -15.811 22.204 -10.824 434 HB3 ASP 66 3HB ASP 66 -14.959 22.185 -12.365 435 H ASP 67 H ASP 67 -13.214 24.126 -11.201 436 HA ASP 67 HA ASP 67 -11.600 23.745 -13.510 437 HB2 ASP 67 2HB ASP 67 -12.910 25.889 -12.345 438 HB3 ASP 67 3HB ASP 67 -11.208 26.293 -12.140 439 H GLN 68 H GLN 68 -10.942 23.983 -10.102 440 HA GLN 68 HA GLN 68 -8.134 24.486 -10.389 441 HB2 GLN 68 2HB GLN 68 -9.866 23.663 -8.066 442 HB3 GLN 68 3HB GLN 68 -8.120 23.810 -7.922 443 HG2 GLN 68 2HG GLN 68 -9.116 25.825 -7.133 444 HG3 GLN 68 3HG GLN 68 -8.308 26.166 -8.662 445 HE21 GLN 68 1HE2 GLN 68 -9.484 27.861 -9.349 446 HE22 GLN 68 2HE2 GLN 68 -11.177 27.803 -9.690 447 H ILE 69 H ILE 69 -10.010 21.643 -9.331 448 HA ILE 69 HA ILE 69 -7.854 19.870 -9.168 449 HB ILE 69 HB ILE 69 -10.726 19.215 -9.835 450 HG12 ILE 69 2HG1 ILE 69 -9.810 18.687 -7.120 451 HG13 ILE 69 3HG1 ILE 69 -9.703 20.394 -7.535 452 HG21 ILE 69 1HG2 ILE 69 -10.199 16.997 -8.931 453 HG22 ILE 69 2HG2 ILE 69 -9.223 17.376 -10.348 454 HG23 ILE 69 3HG2 ILE 69 -8.515 17.483 -8.737 455 HD11 ILE 69 3HD1 ILE 69 -11.885 19.330 -6.503 456 HD12 ILE 69 1HD1 ILE 69 -11.953 20.639 -7.682 457 HD13 ILE 69 2HD1 ILE 69 -12.215 18.972 -8.198 458 H GLU 70 H GLU 70 -9.742 20.950 -11.898 459 HA GLU 70 HA GLU 70 -8.940 18.907 -13.705 460 HB2 GLU 70 2HB GLU 70 -10.937 20.413 -13.982 461 HB3 GLU 70 3HB GLU 70 -9.825 21.710 -14.394 462 HG2 GLU 70 2HG GLU 70 -9.004 20.362 -16.288 463 HG3 GLU 70 3HG GLU 70 -10.204 19.131 -15.897 464 H ALA 71 H ALA 71 -7.868 22.277 -13.279 465 HA ALA 71 HA ALA 71 -5.899 22.372 -15.206 466 HB1 ALA 71 1HB ALA 71 -6.649 24.305 -13.883 467 HB2 ALA 71 2HB ALA 71 -5.779 23.669 -12.486 468 HB3 ALA 71 3HB ALA 71 -4.892 24.165 -13.927 469 H GLY 72 H GLY 72 -5.799 20.896 -12.023 470 HA2 GLY 72 2HA GLY 72 -4.206 18.907 -12.082 471 HA3 GLY 72 3HA GLY 72 -2.997 20.109 -12.512 472 H TYR 73 H TYR 73 -4.663 21.927 -10.588 473 HA TYR 73 HA TYR 73 -2.911 21.743 -8.405 474 HB2 TYR 73 2HB TYR 73 -5.652 22.995 -8.291 475 HB3 TYR 73 3HB TYR 73 -4.212 23.451 -7.387 476 HD1 TYR 73 HD2 TYR 73 -2.135 23.750 -9.314 477 HD2 TYR 73 HD1 TYR 73 -6.263 24.698 -9.717 478 HE1 TYR 73 HE2 TYR 73 -1.578 25.416 -11.035 479 HE2 TYR 73 HE1 TYR 73 -5.718 26.366 -11.441 480 HH TYR 73 HH TYR 73 -3.646 26.630 -13.155 481 H VAL 74 H VAL 74 -2.806 20.159 -6.967 482 HA VAL 74 HA VAL 74 -5.324 18.995 -5.971 483 HB VAL 74 HB VAL 74 -4.172 16.844 -5.684 484 HG11 VAL 74 1HG1 VAL 74 -3.926 16.304 -8.140 485 HG12 VAL 74 2HG1 VAL 74 -5.458 17.038 -7.661 486 HG13 VAL 74 3HG1 VAL 74 -4.221 18.014 -8.455 487 HG21 VAL 74 3HG2 VAL 74 -1.970 17.035 -7.383 488 HG22 VAL 74 1HG2 VAL 74 -1.860 18.444 -6.328 489 HG23 VAL 74 2HG2 VAL 74 -1.946 16.826 -5.632 490 H LEU 75 H LEU 75 -5.609 19.267 -3.864 491 HA LEU 75 HA LEU 75 -3.736 20.522 -2.194 492 HB2 LEU 75 2HB LEU 75 -6.187 18.905 -1.519 493 HB3 LEU 75 3HB LEU 75 -5.273 19.855 -0.349 494 HG LEU 75 HG LEU 75 -6.865 20.885 -2.693 495 HD11 LEU 75 1HD1 LEU 75 -8.155 22.018 -0.941 496 HD12 LEU 75 2HD1 LEU 75 -7.171 21.222 0.288 497 HD13 LEU 75 3HD1 LEU 75 -8.206 20.263 -0.770 498 HD21 LEU 75 3HD2 LEU 75 -5.124 22.400 -0.750 499 HD22 LEU 75 1HD2 LEU 75 -6.209 23.121 -1.939 500 HD23 LEU 75 2HD2 LEU 75 -4.816 22.179 -2.473 501 H THR 76 H THR 76 -1.843 19.646 -1.662 502 HA THR 76 HA THR 76 -1.311 16.879 -1.546 503 HB THR 76 HB THR 76 0.830 17.497 -0.509 504 HG1 THR 76 HG1 THR 76 1.162 19.834 -0.211 505 HG21 THR 76 3HG2 THR 76 1.371 17.852 -2.648 506 HG22 THR 76 1HG2 THR 76 1.106 19.569 -2.344 507 HG23 THR 76 2HG2 THR 76 -0.199 18.577 -2.994 508 H CYS 77 H CYS 77 -2.493 19.147 0.806 509 HA CYS 77 HA CYS 77 -1.897 17.575 3.114 510 HB2 CYS 77 2HB CYS 77 -3.496 19.122 4.256 511 HB3 CYS 77 3HB CYS 77 -2.210 19.947 3.381 512 H VAL 78 H VAL 78 -4.084 17.167 0.630 513 HA VAL 78 HA VAL 78 -5.489 15.104 2.100 514 HB VAL 78 HB VAL 78 -7.733 15.951 1.280 515 HG11 VAL 78 1HG1 VAL 78 -6.491 17.803 3.291 516 HG12 VAL 78 2HG1 VAL 78 -8.133 17.158 3.249 517 HG13 VAL 78 3HG1 VAL 78 -6.779 16.100 3.647 518 HG21 VAL 78 3HG2 VAL 78 -6.109 18.460 0.888 519 HG22 VAL 78 1HG2 VAL 78 -7.046 17.584 -0.323 520 HG23 VAL 78 2HG2 VAL 78 -7.870 18.431 0.986 521 H ALA 79 H ALA 79 -3.689 14.747 0.099 522 HA ALA 79 HA ALA 79 -5.383 13.972 -2.187 523 HB1 ALA 79 1HB ALA 79 -2.568 15.030 -2.181 524 HB2 ALA 79 2HB ALA 79 -3.270 14.187 -3.563 525 HB3 ALA 79 3HB ALA 79 -3.985 15.695 -2.993 526 H TYR 80 H TYR 80 -5.414 11.871 -2.665 527 HA TYR 80 HA TYR 80 -3.450 10.127 -1.342 528 HB2 TYR 80 2HB TYR 80 -6.211 9.474 -2.391 529 HB3 TYR 80 3HB TYR 80 -5.124 8.332 -1.610 530 HD1 TYR 80 HD2 TYR 80 -4.302 9.055 0.791 531 HD2 TYR 80 HD1 TYR 80 -7.808 10.543 -1.104 532 HE1 TYR 80 HE2 TYR 80 -5.217 9.679 2.987 533 HE2 TYR 80 HE1 TYR 80 -8.733 11.172 1.086 534 HH TYR 80 HH TYR 80 -8.274 11.426 3.274 535 HA PRO 81 HA PRO 81 -2.097 9.811 -5.681 536 HB2 PRO 81 2HB PRO 81 0.437 9.071 -5.047 537 HB3 PRO 81 3HB PRO 81 -0.096 10.757 -5.065 538 HG2 PRO 81 2HG PRO 81 0.219 8.895 -2.742 539 HG3 PRO 81 3HG PRO 81 0.682 10.601 -2.880 540 HD2 PRO 81 2HD PRO 81 -1.575 9.801 -1.616 541 HD3 PRO 81 3HD PRO 81 -1.463 11.345 -2.485 542 H THR 82 H THR 82 -3.509 7.963 -5.906 543 HA THR 82 HA THR 82 -3.068 5.423 -4.872 544 HB THR 82 HB THR 82 -5.130 5.949 -6.028 545 HG1 THR 82 HG1 THR 82 -5.218 4.051 -7.358 546 HG21 THR 82 3HG2 THR 82 -5.257 6.265 -8.417 547 HG22 THR 82 1HG2 THR 82 -3.522 6.003 -8.583 548 HG23 THR 82 2HG2 THR 82 -4.121 7.436 -7.748 549 H SER 83 H SER 83 -1.381 7.122 -7.365 550 HA SER 83 HA SER 83 0.480 4.896 -7.616 551 HB2 SER 83 2HB SER 83 -1.368 4.873 -9.474 552 HB3 SER 83 3HB SER 83 -0.433 6.202 -10.158 553 HG SER 83 HG SER 83 0.171 4.070 -10.915 554 H ASP 84 H ASP 84 2.394 5.599 -9.044 555 HA ASP 84 HA ASP 84 3.686 7.743 -7.890 556 HB2 ASP 84 2HB ASP 84 5.284 7.608 -9.766 557 HB3 ASP 84 3HB ASP 84 4.871 6.014 -9.140 558 H CYS 85 H CYS 85 3.931 9.887 -8.330 559 HA CYS 85 HA CYS 85 2.867 11.072 -10.729 560 HB2 CYS 85 2HB CYS 85 1.351 12.627 -9.406 561 HB3 CYS 85 3HB CYS 85 0.787 10.971 -9.593 562 HG CYS 85 HG CYS 85 2.507 11.034 -6.846 563 H THR 86 H THR 86 3.376 13.333 -10.918 564 HA THR 86 HA THR 86 5.604 14.120 -9.159 565 HB THR 86 HB THR 86 5.071 14.923 -12.026 566 HG1 THR 86 HG1 THR 86 6.827 13.610 -12.477 567 HG21 THR 86 3HG2 THR 86 7.692 15.570 -11.296 568 HG22 THR 86 1HG2 THR 86 6.684 16.140 -9.966 569 HG23 THR 86 2HG2 THR 86 6.368 16.690 -11.612 570 H ILE 87 H ILE 87 4.070 15.041 -7.652 571 HA ILE 87 HA ILE 87 2.343 17.176 -8.425 572 HB ILE 87 HB ILE 87 3.360 16.440 -5.677 573 HG12 ILE 87 2HG1 ILE 87 0.621 15.795 -6.055 574 HG13 ILE 87 3HG1 ILE 87 1.503 15.151 -7.435 575 HG21 ILE 87 1HG2 ILE 87 2.570 18.628 -5.486 576 HG22 ILE 87 2HG2 ILE 87 1.254 18.351 -6.626 577 HG23 ILE 87 3HG2 ILE 87 1.189 17.637 -5.015 578 HD11 ILE 87 3HD1 ILE 87 1.238 13.577 -5.525 579 HD12 ILE 87 1HD1 ILE 87 2.907 13.852 -6.024 580 HD13 ILE 87 2HD1 ILE 87 2.277 14.641 -4.578 581 H GLU 88 H GLU 88 2.742 19.293 -8.603 582 HA GLU 88 HA GLU 88 5.444 20.232 -7.943 583 HB2 GLU 88 2HB GLU 88 3.363 21.204 -9.890 584 HB3 GLU 88 3HB GLU 88 4.740 22.198 -9.435 585 HG2 GLU 88 2HG GLU 88 5.694 19.618 -10.145 586 HG3 GLU 88 3HG GLU 88 4.597 20.180 -11.406 587 H THR 89 H THR 89 5.497 21.049 -5.944 588 HA THR 89 HA THR 89 3.285 22.226 -4.625 589 HB THR 89 HB THR 89 4.790 22.776 -2.845 590 HG1 THR 89 HG1 THR 89 6.733 22.607 -4.879 591 HG21 THR 89 3HG2 THR 89 5.793 20.226 -4.111 592 HG22 THR 89 1HG2 THR 89 4.286 20.367 -3.206 593 HG23 THR 89 2HG2 THR 89 5.829 20.645 -2.398 594 H HIS 90 H HIS 90 3.861 24.507 -3.489 595 HA HIS 90 HA HIS 90 3.800 26.764 -3.774 596 HB2 HIS 90 2HB HIS 90 5.971 26.044 -5.745 597 HB3 HIS 90 3HB HIS 90 5.547 27.707 -5.346 598 HD1 HIS 90 HD1 HIS 90 6.124 24.688 -3.094 599 HD2 HIS 90 HD2 HIS 90 7.495 28.566 -3.685 600 HE1 HIS 90 HE1 HIS 90 7.791 25.100 -1.257 601 H LYS 91 H LYS 91 1.696 25.633 -4.946 602 HA LYS 91 HA LYS 91 1.377 27.197 -7.415 603 HB2 LYS 91 2HB LYS 91 0.758 24.311 -6.942 604 HB3 LYS 91 3HB LYS 91 -0.279 25.235 -8.022 605 HG2 LYS 91 2HG LYS 91 2.695 25.215 -8.372 606 HG3 LYS 91 3HG LYS 91 1.682 23.928 -9.029 607 HD2 LYS 91 2HD LYS 91 0.493 25.449 -10.410 608 HD3 LYS 91 3HD LYS 91 1.186 26.846 -9.582 609 HE2 LYS 91 2HE LYS 91 3.398 25.444 -10.462 610 HE3 LYS 91 3HE LYS 91 2.243 25.261 -11.781 611 HZ1 LYS 91 3HZ LYS 91 3.768 27.532 -11.056 612 HZ2 LYS 91 1HZ LYS 91 2.120 27.911 -11.007 613 HZ3 LYS 91 2HZ LYS 91 2.803 27.290 -12.425 614 H GLU 92 H GLU 92 0.589 28.569 -5.464 615 HA GLU 92 HA GLU 92 -2.257 27.982 -4.982 616 HB2 GLU 92 2HB GLU 92 -0.966 28.028 -2.920 617 HB3 GLU 92 3HB GLU 92 -0.323 29.612 -3.328 618 HG2 GLU 92 2HG GLU 92 -3.191 29.667 -3.375 619 HG3 GLU 92 3HG GLU 92 -2.614 29.024 -1.839 620 H GLU 93 H GLU 93 0.072 30.544 -5.716 621 HA GLU 93 HA GLU 93 -1.742 32.660 -5.977 622 HB2 GLU 93 2HB GLU 93 0.889 32.198 -7.391 623 HB3 GLU 93 3HB GLU 93 0.015 33.723 -7.381 624 HG2 GLU 93 2HG GLU 93 0.411 34.073 -5.109 625 HG3 GLU 93 3HG GLU 93 0.845 32.387 -4.833 626 H ASP 94 H ASP 94 -1.163 29.946 -7.987 627 HA ASP 94 HA ASP 94 -1.787 30.844 -10.521 628 HB2 ASP 94 2HB ASP 94 -2.116 28.251 -9.094 629 HB3 ASP 94 3HB ASP 94 -2.957 28.449 -10.628 630 H LEU 95 H LEU 95 -3.973 30.010 -7.874 631 HA LEU 95 HA LEU 95 -6.346 30.422 -9.434 632 HB2 LEU 95 2HB LEU 95 -6.282 30.473 -6.445 633 HB3 LEU 95 3HB LEU 95 -7.544 29.876 -7.520 634 HG LEU 95 HG LEU 95 -4.896 28.531 -6.983 635 HD11 LEU 95 1HD1 LEU 95 -6.085 26.954 -5.695 636 HD12 LEU 95 2HD1 LEU 95 -7.646 27.594 -6.209 637 HD13 LEU 95 3HD1 LEU 95 -6.618 28.537 -5.130 638 HD21 LEU 95 3HD2 LEU 95 -5.311 27.683 -9.033 639 HD22 LEU 95 1HD2 LEU 95 -7.024 28.100 -8.978 640 HD23 LEU 95 2HD2 LEU 95 -6.441 26.659 -8.145 641 H TYR 96 H TYR 96 -4.239 32.400 -7.545 642 HA TYR 96 HA TYR 96 -5.575 34.782 -8.387 643 HB2 TYR 96 2HB TYR 96 -5.640 35.424 -5.753 644 HB3 TYR 96 3HB TYR 96 -7.032 34.834 -6.653 645 HD1 TYR 96 HD2 TYR 96 -4.062 33.321 -4.947 646 HD2 TYR 96 HD1 TYR 96 -8.273 33.243 -5.551 647 HE1 TYR 96 HE2 TYR 96 -4.242 31.413 -3.404 648 HE2 TYR 96 HE1 TYR 96 -8.465 31.337 -4.010 649 HH TYR 96 HH TYR 96 -6.961 30.461 -1.970 Start of MODEL 6 1 H1 ALA 1 H ALA 1 0.816 -0.675 0.348 2 HA ALA 1 HA ALA 1 2.572 -0.358 -1.355 3 HB1 ALA 1 1HB ALA 1 -0.025 0.504 -2.583 4 HB2 ALA 1 2HB ALA 1 1.232 -0.531 -3.260 5 HB3 ALA 1 3HB ALA 1 0.203 -1.130 -1.959 6 H SER 2 H SER 2 3.594 1.625 -0.349 7 HA SER 2 HA SER 2 2.779 4.212 -1.192 8 HB2 SER 2 2HB SER 2 4.199 3.773 0.812 9 HB3 SER 2 3HB SER 2 5.524 3.335 -0.266 10 HG SER 2 HG SER 2 5.140 5.523 -1.196 11 H TYR 3 H TYR 3 3.441 5.466 -2.879 12 HA TYR 3 HA TYR 3 5.149 4.158 -4.894 13 HB2 TYR 3 2HB TYR 3 2.641 5.777 -5.183 14 HB3 TYR 3 3HB TYR 3 3.815 5.735 -6.494 15 HD1 TYR 3 HD2 TYR 3 4.247 3.654 -7.710 16 HD2 TYR 3 HD1 TYR 3 1.307 3.841 -4.641 17 HE1 TYR 3 HE2 TYR 3 3.290 1.532 -8.506 18 HE2 TYR 3 HE1 TYR 3 0.342 1.720 -5.427 19 HH TYR 3 HH TYR 3 0.923 0.412 -8.363 20 H THR 4 H THR 4 6.366 5.619 -6.290 21 HA THR 4 HA THR 4 7.785 7.561 -4.799 22 HB THR 4 HB THR 4 8.966 6.420 -6.530 23 HG1 THR 4 HG1 THR 4 9.685 8.526 -6.340 24 HG21 THR 4 3HG2 THR 4 7.857 5.757 -8.349 25 HG22 THR 4 1HG2 THR 4 7.986 7.408 -8.954 26 HG23 THR 4 2HG2 THR 4 6.558 6.911 -8.046 27 H VAL 5 H VAL 5 6.948 9.455 -4.215 28 HA VAL 5 HA VAL 5 5.164 10.864 -6.078 29 HB VAL 5 HB VAL 5 5.596 11.289 -3.118 30 HG11 VAL 5 1HG1 VAL 5 4.704 13.305 -3.380 31 HG12 VAL 5 2HG1 VAL 5 4.539 13.037 -5.116 32 HG13 VAL 5 3HG1 VAL 5 3.244 12.553 -4.021 33 HG21 VAL 5 3HG2 VAL 5 3.175 10.544 -3.043 34 HG22 VAL 5 1HG2 VAL 5 3.393 9.996 -4.706 35 HG23 VAL 5 2HG2 VAL 5 4.364 9.294 -3.412 36 H LYS 6 H LYS 6 6.501 11.980 -7.419 37 HA LYS 6 HA LYS 6 8.830 13.363 -6.488 38 HB2 LYS 6 2HB LYS 6 8.221 12.404 -8.875 39 HB3 LYS 6 3HB LYS 6 7.543 14.010 -9.105 40 HG2 LYS 6 2HG LYS 6 9.560 14.986 -9.238 41 HG3 LYS 6 3HG LYS 6 10.260 13.951 -7.990 42 HD2 LYS 6 2HD LYS 6 11.217 12.679 -9.542 43 HD3 LYS 6 3HD LYS 6 9.649 12.367 -10.290 44 HE2 LYS 6 2HE LYS 6 9.996 13.867 -11.930 45 HE3 LYS 6 3HE LYS 6 10.768 15.023 -10.845 46 HZ1 LYS 6 3HZ LYS 6 12.130 12.564 -11.775 47 HZ2 LYS 6 1HZ LYS 6 12.820 13.926 -11.046 48 HZ3 LYS 6 2HZ LYS 6 12.218 14.025 -12.623 49 H LEU 7 H LEU 7 8.817 15.227 -5.434 50 HA LEU 7 HA LEU 7 6.544 17.055 -5.819 51 HB2 LEU 7 2HB LEU 7 8.414 16.596 -3.517 52 HB3 LEU 7 3HB LEU 7 7.448 18.065 -3.643 53 HG LEU 7 HG LEU 7 6.292 15.281 -3.554 54 HD11 LEU 7 1HD1 LEU 7 5.563 16.263 -1.220 55 HD12 LEU 7 2HD1 LEU 7 7.051 17.191 -1.406 56 HD13 LEU 7 3HD1 LEU 7 7.103 15.428 -1.425 57 HD21 LEU 7 3HD2 LEU 7 5.193 17.761 -4.297 58 HD22 LEU 7 1HD2 LEU 7 4.563 17.392 -2.691 59 HD23 LEU 7 2HD2 LEU 7 4.345 16.240 -4.009 60 H ILE 8 H ILE 8 7.228 18.245 -7.561 61 HA ILE 8 HA ILE 8 9.846 19.246 -7.906 62 HB ILE 8 HB ILE 8 7.327 20.452 -9.047 63 HG12 ILE 8 2HG1 ILE 8 7.302 18.063 -9.495 64 HG13 ILE 8 3HG1 ILE 8 7.692 18.933 -10.974 65 HG21 ILE 8 1HG2 ILE 8 10.071 21.097 -9.292 66 HG22 ILE 8 2HG2 ILE 8 9.541 20.422 -10.832 67 HG23 ILE 8 3HG2 ILE 8 8.699 21.808 -10.141 68 HD11 ILE 8 3HD1 ILE 8 10.102 18.451 -10.506 69 HD12 ILE 8 1HD1 ILE 8 9.564 17.396 -9.199 70 HD13 ILE 8 2HD1 ILE 8 9.107 17.040 -10.866 71 H THR 9 H THR 9 10.836 21.024 -7.167 72 HA THR 9 HA THR 9 9.261 23.172 -5.963 73 HB THR 9 HB THR 9 10.378 23.191 -3.897 74 HG1 THR 9 HG1 THR 9 12.373 22.505 -3.698 75 HG21 THR 9 3HG2 THR 9 10.203 20.228 -4.321 76 HG22 THR 9 1HG2 THR 9 8.752 21.229 -4.356 77 HG23 THR 9 2HG2 THR 9 9.753 21.177 -2.905 78 HA PRO 10 HA PRO 10 12.215 25.797 -7.879 79 HB2 PRO 10 2HB PRO 10 12.174 27.931 -6.201 80 HB3 PRO 10 3HB PRO 10 10.846 27.550 -7.304 81 HG2 PRO 10 2HG PRO 10 11.106 26.965 -4.380 82 HG3 PRO 10 3HG PRO 10 9.701 27.564 -5.281 83 HD2 PRO 10 2HD PRO 10 9.967 24.969 -4.554 84 HD3 PRO 10 3HD PRO 10 9.135 25.464 -6.042 85 H ASP 11 H ASP 11 12.747 24.430 -4.831 86 HA ASP 11 HA ASP 11 15.496 25.480 -4.730 87 HB2 ASP 11 2HB ASP 11 13.598 25.406 -2.724 88 HB3 ASP 11 3HB ASP 11 14.593 23.993 -2.380 89 H GLY 12 H GLY 12 14.259 23.166 -6.290 90 HA2 GLY 12 2HA GLY 12 16.038 21.463 -6.913 91 HA3 GLY 12 3HA GLY 12 15.967 21.010 -5.217 92 H GLU 13 H GLU 13 15.547 18.900 -6.446 93 HA GLU 13 HA GLU 13 12.634 18.597 -6.766 94 HB2 GLU 13 2HB GLU 13 14.878 17.482 -8.413 95 HB3 GLU 13 3HB GLU 13 13.354 16.613 -8.300 96 HG2 GLU 13 2HG GLU 13 12.307 18.030 -9.666 97 HG3 GLU 13 3HG GLU 13 13.035 19.446 -8.910 98 H SER 14 H SER 14 12.133 17.775 -4.796 99 HA SER 14 HA SER 14 13.750 15.688 -3.602 100 HB2 SER 14 2HB SER 14 11.129 16.878 -2.661 101 HB3 SER 14 3HB SER 14 12.200 15.841 -1.717 102 HG SER 14 HG SER 14 13.824 17.527 -2.069 103 H SER 15 H SER 15 12.648 13.707 -2.749 104 HA SER 15 HA SER 15 10.395 12.777 -4.347 105 HB2 SER 15 2HB SER 15 12.850 11.044 -4.210 106 HB3 SER 15 3HB SER 15 11.477 10.931 -5.311 107 HG SER 15 HG SER 15 13.533 11.870 -6.134 108 H ILE 16 H ILE 16 9.011 12.091 -2.861 109 HA ILE 16 HA ILE 16 10.048 10.492 -0.612 110 HB ILE 16 HB ILE 16 8.103 11.296 0.708 111 HG12 ILE 16 2HG1 ILE 16 7.757 13.528 -1.256 112 HG13 ILE 16 3HG1 ILE 16 6.921 12.005 -1.538 113 HG21 ILE 16 1HG2 ILE 16 9.003 13.601 1.078 114 HG22 ILE 16 2HG2 ILE 16 10.218 12.323 1.103 115 HG23 ILE 16 3HG2 ILE 16 10.049 13.351 -0.320 116 HD11 ILE 16 3HD1 ILE 16 5.783 13.955 -0.219 117 HD12 ILE 16 1HD1 ILE 16 5.540 12.275 0.258 118 HD13 ILE 16 2HD1 ILE 16 6.692 13.284 1.134 119 H GLU 17 H GLU 17 8.393 9.003 0.334 120 HA GLU 17 HA GLU 17 6.777 7.819 -1.825 121 HB2 GLU 17 2HB GLU 17 8.716 6.681 -0.086 122 HB3 GLU 17 3HB GLU 17 7.154 5.998 0.345 123 HG2 GLU 17 2HG GLU 17 7.434 4.563 -1.314 124 HG3 GLU 17 3HG GLU 17 7.190 5.912 -2.422 125 H CYS 18 H CYS 18 4.650 7.929 -1.610 126 HA CYS 18 HA CYS 18 3.519 8.169 1.100 127 HB2 CYS 18 2HB CYS 18 3.349 10.291 -0.140 128 HB3 CYS 18 3HB CYS 18 2.494 9.463 -1.435 129 HG CYS 18 HG CYS 18 1.362 10.517 1.547 130 H SER 19 H SER 19 1.657 7.030 1.557 131 HA SER 19 HA SER 19 1.148 4.764 -0.177 132 HB2 SER 19 2HB SER 19 0.828 5.369 2.643 133 HB3 SER 19 3HB SER 19 -0.634 4.643 1.975 134 HG SER 19 HG SER 19 1.115 3.195 2.788 135 H ASP 20 H ASP 20 -1.102 4.082 -0.623 136 HA ASP 20 HA ASP 20 -2.524 6.148 -1.944 137 HB2 ASP 20 2HB ASP 20 -4.128 4.435 -2.535 138 HB3 ASP 20 3HB ASP 20 -2.503 3.770 -2.679 139 H ASP 21 H ASP 21 -2.695 4.806 1.234 140 HA ASP 21 HA ASP 21 -5.228 6.214 1.738 141 HB2 ASP 21 2HB ASP 21 -4.811 3.676 2.292 142 HB3 ASP 21 3HB ASP 21 -4.001 4.330 3.714 143 H THR 22 H THR 22 -2.849 7.698 1.498 144 HA THR 22 HA THR 22 -2.787 8.926 4.134 145 HB THR 22 HB THR 22 -0.105 8.578 2.900 146 HG1 THR 22 HG1 THR 22 0.034 6.546 4.156 147 HG21 THR 22 3HG2 THR 22 -0.130 8.062 5.667 148 HG22 THR 22 1HG2 THR 22 -1.243 9.403 5.401 149 HG23 THR 22 2HG2 THR 22 0.427 9.521 4.847 150 H TYR 23 H TYR 23 -1.525 11.016 4.073 151 HA TYR 23 HA TYR 23 -2.151 12.388 1.567 152 HB2 TYR 23 2HB TYR 23 -1.300 13.683 4.153 153 HB3 TYR 23 3HB TYR 23 -2.169 14.411 2.808 154 HD1 TYR 23 HD1 TYR 23 -4.501 13.262 2.271 155 HD2 TYR 23 HD2 TYR 23 -2.505 13.068 6.023 156 HE1 TYR 23 HE1 TYR 23 -6.640 12.760 3.376 157 HE2 TYR 23 HE2 TYR 23 -4.639 12.564 7.139 158 HH TYR 23 HH TYR 23 -6.805 11.781 6.702 159 H ILE 24 H ILE 24 -0.648 13.262 0.265 160 HA ILE 24 HA ILE 24 2.022 12.452 0.387 161 HB ILE 24 HB ILE 24 0.866 14.804 -1.115 162 HG12 ILE 24 2HG1 ILE 24 1.530 12.378 -2.605 163 HG13 ILE 24 3HG1 ILE 24 0.275 12.117 -1.399 164 HG21 ILE 24 1HG2 ILE 24 3.189 15.116 -1.112 165 HG22 ILE 24 2HG2 ILE 24 3.508 13.391 -1.285 166 HG23 ILE 24 3HG2 ILE 24 2.850 14.306 -2.641 167 HD11 ILE 24 3HD1 ILE 24 -0.021 13.168 -3.960 168 HD12 ILE 24 1HD1 ILE 24 -1.235 13.095 -2.683 169 HD13 ILE 24 2HD1 ILE 24 -0.230 14.533 -2.864 170 H LEU 25 H LEU 25 0.431 15.321 1.614 171 HA LEU 25 HA LEU 25 2.708 16.896 2.097 172 HB2 LEU 25 2HB LEU 25 0.257 17.572 2.173 173 HB3 LEU 25 3HB LEU 25 0.230 16.891 3.798 174 HG LEU 25 HG LEU 25 2.035 18.516 4.415 175 HD11 LEU 25 1HD1 LEU 25 1.341 20.207 2.098 176 HD12 LEU 25 2HD1 LEU 25 2.421 18.849 1.784 177 HD13 LEU 25 3HD1 LEU 25 2.856 20.061 2.989 178 HD21 LEU 25 3HD2 LEU 25 -0.167 20.225 3.481 179 HD22 LEU 25 1HD2 LEU 25 0.473 19.978 5.106 180 HD23 LEU 25 2HD2 LEU 25 -0.654 18.810 4.415 181 H ASP 26 H ASP 26 0.858 14.851 4.361 182 HA ASP 26 HA ASP 26 2.464 15.125 6.587 183 HB2 ASP 26 2HB ASP 26 0.230 13.855 6.295 184 HB3 ASP 26 3HB ASP 26 1.237 12.475 5.868 185 H ALA 27 H ALA 27 2.691 12.570 4.110 186 HA ALA 27 HA ALA 27 4.962 11.301 5.117 187 HB1 ALA 27 1HB ALA 27 5.146 11.004 2.369 188 HB2 ALA 27 2HB ALA 27 4.282 9.947 3.486 189 HB3 ALA 27 3HB ALA 27 3.424 11.250 2.663 190 H ALA 28 H ALA 28 4.636 14.298 3.447 191 HA ALA 28 HA ALA 28 7.406 14.425 2.621 192 HB1 ALA 28 1HB ALA 28 6.461 15.781 1.132 193 HB2 ALA 28 2HB ALA 28 4.984 15.914 2.086 194 HB3 ALA 28 3HB ALA 28 6.347 16.982 2.419 195 H GLU 29 H GLU 29 5.403 16.522 4.708 196 HA GLU 29 HA GLU 29 7.499 17.902 5.898 197 HB2 GLU 29 2HB GLU 29 5.890 18.421 7.716 198 HB3 GLU 29 3HB GLU 29 5.224 18.676 6.109 199 HG2 GLU 29 2HG GLU 29 3.473 17.574 6.994 200 HG3 GLU 29 3HG GLU 29 4.412 16.166 6.503 201 H GLU 30 H GLU 30 5.915 14.901 6.911 202 HA GLU 30 HA GLU 30 7.262 14.584 9.354 203 HB2 GLU 30 2HB GLU 30 5.228 13.311 8.558 204 HB3 GLU 30 3HB GLU 30 6.311 12.347 7.564 205 HG2 GLU 30 2HG GLU 30 7.517 11.657 9.598 206 HG3 GLU 30 3HG GLU 30 6.353 12.560 10.565 207 H ALA 31 H ALA 31 8.280 14.096 6.094 208 HA ALA 31 HA ALA 31 10.562 12.459 6.854 209 HB1 ALA 31 1HB ALA 31 11.054 12.371 4.474 210 HB2 ALA 31 2HB ALA 31 9.365 11.959 4.774 211 HB3 ALA 31 3HB ALA 31 9.786 13.555 4.153 212 H GLY 32 H GLY 32 9.859 15.735 5.737 213 HA2 GLY 32 2HA GLY 32 11.687 17.183 7.006 214 HA3 GLY 32 3HA GLY 32 12.690 16.433 5.773 215 H LEU 33 H LEU 33 10.109 16.545 4.046 216 HA LEU 33 HA LEU 33 10.828 18.894 2.629 217 HB2 LEU 33 2HB LEU 33 8.333 17.217 2.400 218 HB3 LEU 33 3HB LEU 33 8.896 18.399 1.220 219 HG LEU 33 HG LEU 33 10.183 15.764 1.919 220 HD11 LEU 33 1HD1 LEU 33 8.320 15.468 0.464 221 HD12 LEU 33 2HD1 LEU 33 9.782 15.349 -0.514 222 HD13 LEU 33 3HD1 LEU 33 8.819 16.825 -0.547 223 HD21 LEU 33 3HD2 LEU 33 11.845 16.324 0.204 224 HD22 LEU 33 1HD2 LEU 33 11.911 17.436 1.571 225 HD23 LEU 33 2HD2 LEU 33 11.147 17.938 0.062 226 H ASP 34 H ASP 34 10.523 20.834 3.535 227 HA ASP 34 HA ASP 34 8.186 21.385 5.154 228 HB2 ASP 34 2HB ASP 34 10.499 23.148 4.321 229 HB3 ASP 34 3HB ASP 34 9.220 23.630 5.432 230 H LEU 35 H LEU 35 7.159 20.751 2.822 231 HA LEU 35 HA LEU 35 6.966 22.680 0.824 232 HB2 LEU 35 2HB LEU 35 5.287 20.409 1.730 233 HB3 LEU 35 3HB LEU 35 4.551 21.580 0.636 234 HG LEU 35 HG LEU 35 5.888 20.969 -1.134 235 HD11 LEU 35 1HD1 LEU 35 8.005 19.579 -0.744 236 HD12 LEU 35 2HD1 LEU 35 7.864 20.084 0.939 237 HD13 LEU 35 3HD1 LEU 35 8.053 21.293 -0.330 238 HD21 LEU 35 3HD2 LEU 35 5.590 18.702 -1.404 239 HD22 LEU 35 1HD2 LEU 35 4.469 19.045 -0.086 240 HD23 LEU 35 2HD2 LEU 35 6.045 18.333 0.260 241 HA PRO 36 HA PRO 36 4.437 25.920 2.358 242 HB2 PRO 36 2HB PRO 36 2.830 26.470 0.240 243 HB3 PRO 36 3HB PRO 36 4.551 26.875 0.271 244 HG2 PRO 36 2HG PRO 36 3.175 24.546 -1.013 245 HG3 PRO 36 3HG PRO 36 4.476 25.568 -1.651 246 HD2 PRO 36 2HD PRO 36 4.934 23.119 -0.592 247 HD3 PRO 36 3HD PRO 36 6.108 24.446 -0.471 248 H TYR 37 H TYR 37 3.374 24.503 3.935 249 HA TYR 37 HA TYR 37 0.538 24.103 3.260 250 HB2 TYR 37 2HB TYR 37 0.459 22.048 4.452 251 HB3 TYR 37 3HB TYR 37 1.867 21.947 3.401 252 HD1 TYR 37 HD1 TYR 37 0.760 22.438 6.889 253 HD2 TYR 37 HD2 TYR 37 4.063 21.733 4.302 254 HE1 TYR 37 HE1 TYR 37 2.167 21.915 8.838 255 HE2 TYR 37 HE2 TYR 37 5.479 21.206 6.243 256 HH TYR 37 HH TYR 37 4.917 20.302 8.739 257 H SER 38 H SER 38 -0.950 24.429 4.948 258 HA SER 38 HA SER 38 0.134 25.697 7.372 259 HB2 SER 38 2HB SER 38 -0.579 27.540 6.037 260 HB3 SER 38 3HB SER 38 -2.070 26.719 5.577 261 HG SER 38 HG SER 38 -2.882 27.761 7.210 262 H CYS 39 H CYS 39 -3.043 24.797 6.017 263 HA CYS 39 HA CYS 39 -4.047 23.993 8.567 264 HB2 CYS 39 2HB CYS 39 -6.066 23.428 7.417 265 HB3 CYS 39 3HB CYS 39 -5.441 24.896 6.673 266 H ARG 40 H ARG 40 -2.567 22.363 5.853 267 HA ARG 40 HA ARG 40 -2.188 20.134 5.420 268 HB2 ARG 40 2HB ARG 40 -0.824 19.087 7.150 269 HB3 ARG 40 3HB ARG 40 -0.377 20.775 6.949 270 HG2 ARG 40 2HG ARG 40 -1.346 21.399 8.975 271 HG3 ARG 40 3HG ARG 40 -2.311 19.925 9.070 272 HD2 ARG 40 2HD ARG 40 -0.060 18.699 9.189 273 HD3 ARG 40 3HD ARG 40 0.630 20.282 9.544 274 HE ARG 40 HE ARG 40 -1.598 19.572 11.221 275 HH11 ARG 40 1HH1 ARG 40 1.850 19.369 10.782 276 HH12 ARG 40 2HH1 ARG 40 2.182 19.132 12.466 277 HH21 ARG 40 1HH2 ARG 40 -1.174 19.260 13.441 278 HH22 ARG 40 2HH2 ARG 40 0.461 19.069 13.977 279 H ALA 41 H ALA 41 -4.886 20.488 5.938 280 HA ALA 41 HA ALA 41 -5.537 17.902 7.148 281 HB1 ALA 41 1HB ALA 41 -7.673 19.458 7.921 282 HB2 ALA 41 2HB ALA 41 -6.361 18.904 8.962 283 HB3 ALA 41 3HB ALA 41 -6.283 20.501 8.218 284 H GLY 42 H GLY 42 -6.547 20.642 5.165 285 HA2 GLY 42 2HA GLY 42 -7.364 19.897 2.907 286 HA3 GLY 42 3HA GLY 42 -8.458 18.850 3.798 287 H ALA 43 H ALA 43 -7.559 22.279 3.493 288 HA ALA 43 HA ALA 43 -10.206 23.119 2.989 289 HB1 ALA 43 1HB ALA 43 -10.575 22.584 5.328 290 HB2 ALA 43 2HB ALA 43 -9.222 23.615 5.796 291 HB3 ALA 43 3HB ALA 43 -10.665 24.327 5.075 292 H CYS 44 H CYS 44 -7.695 23.571 1.837 293 HA CYS 44 HA CYS 44 -7.679 26.453 1.797 294 HB2 CYS 44 2HB CYS 44 -5.463 26.834 2.501 295 HB3 CYS 44 3HB CYS 44 -6.123 25.727 3.700 296 H SER 45 H SER 45 -5.375 26.938 0.428 297 HA SER 45 HA SER 45 -5.418 25.114 -1.873 298 HB2 SER 45 2HB SER 45 -5.239 27.301 -3.286 299 HB3 SER 45 3HB SER 45 -6.823 26.775 -2.715 300 HG SER 45 HG SER 45 -5.182 28.847 -1.723 301 H THR 46 H THR 46 -3.618 26.389 0.461 302 HA THR 46 HA THR 46 -1.320 27.280 -1.022 303 HB THR 46 HB THR 46 -2.015 27.936 1.398 304 HG1 THR 46 HG1 THR 46 0.208 28.336 1.843 305 HG21 THR 46 3HG2 THR 46 -1.447 26.580 3.146 306 HG22 THR 46 1HG2 THR 46 -0.146 25.790 2.256 307 HG23 THR 46 2HG2 THR 46 -1.824 25.340 1.950 308 H CYS 47 H CYS 47 -2.515 24.266 0.178 309 HA CYS 47 HA CYS 47 0.067 22.945 -0.056 310 HB2 CYS 47 2HB CYS 47 -2.609 21.666 0.514 311 HB3 CYS 47 3HB CYS 47 -1.010 21.005 0.842 312 H ALA 48 H ALA 48 -2.256 23.903 -2.166 313 HA ALA 48 HA ALA 48 -2.672 21.651 -3.800 314 HB1 ALA 48 1HB ALA 48 -3.643 23.094 -5.330 315 HB2 ALA 48 2HB ALA 48 -3.848 23.956 -3.805 316 HB3 ALA 48 3HB ALA 48 -2.561 24.424 -4.916 317 H GLY 49 H GLY 49 -1.620 20.884 -5.610 318 HA2 GLY 49 2HA GLY 49 0.900 22.176 -6.382 319 HA3 GLY 49 3HA GLY 49 0.946 20.498 -5.859 320 H LYS 50 H LYS 50 0.889 22.422 -8.505 321 HA LYS 50 HA LYS 50 -0.930 21.350 -10.280 322 HB2 LYS 50 2HB LYS 50 0.947 23.219 -10.514 323 HB3 LYS 50 3HB LYS 50 1.828 21.898 -11.272 324 HG2 LYS 50 2HG LYS 50 0.435 21.816 -13.076 325 HG3 LYS 50 3HG LYS 50 -0.953 22.426 -12.172 326 HD2 LYS 50 2HD LYS 50 -0.532 24.509 -12.834 327 HD3 LYS 50 3HD LYS 50 1.128 24.406 -12.245 328 HE2 LYS 50 2HE LYS 50 1.874 23.467 -14.313 329 HE3 LYS 50 3HE LYS 50 0.218 23.288 -14.891 330 HZ1 LYS 50 3HZ LYS 50 0.211 25.367 -15.629 331 HZ2 LYS 50 1HZ LYS 50 1.878 25.417 -15.341 332 HZ3 LYS 50 2HZ LYS 50 0.800 25.983 -14.167 333 H ILE 51 H ILE 51 -1.302 19.294 -10.758 334 HA ILE 51 HA ILE 51 0.980 17.437 -10.883 335 HB ILE 51 HB ILE 51 -1.314 17.173 -9.409 336 HG12 ILE 51 2HG1 ILE 51 0.711 15.912 -9.023 337 HG13 ILE 51 3HG1 ILE 51 -0.628 14.782 -9.192 338 HG21 ILE 51 1HG2 ILE 51 -2.607 16.875 -11.505 339 HG22 ILE 51 2HG2 ILE 51 -1.657 15.429 -11.842 340 HG23 ILE 51 3HG2 ILE 51 -2.699 15.488 -10.420 341 HD11 ILE 51 3HD1 ILE 51 1.657 15.303 -11.024 342 HD12 ILE 51 1HD1 ILE 51 0.994 13.773 -10.452 343 HD13 ILE 51 2HD1 ILE 51 0.135 14.701 -11.682 344 H THR 52 H THR 52 1.356 16.259 -12.693 345 HA THR 52 HA THR 52 -0.558 15.899 -14.773 346 HB THR 52 HB THR 52 -0.014 18.249 -15.226 347 HG1 THR 52 HG1 THR 52 -0.454 17.136 -17.072 348 HG21 THR 52 3HG2 THR 52 2.550 17.554 -14.450 349 HG22 THR 52 1HG2 THR 52 2.061 19.087 -15.171 350 HG23 THR 52 2HG2 THR 52 2.691 17.794 -16.191 351 H ALA 53 H ALA 53 1.142 14.225 -13.249 352 HA ALA 53 HA ALA 53 2.411 12.778 -15.391 353 HB1 ALA 53 1HB ALA 53 4.026 14.592 -14.177 354 HB2 ALA 53 2HB ALA 53 4.325 13.154 -13.200 355 HB3 ALA 53 3HB ALA 53 4.587 13.105 -14.943 356 H GLY 54 H GLY 54 0.242 12.178 -13.726 357 HA2 GLY 54 2HA GLY 54 0.749 9.580 -12.948 358 HA3 GLY 54 3HA GLY 54 1.025 10.555 -11.512 359 H SER 55 H SER 55 -0.663 10.658 -10.207 360 HA SER 55 HA SER 55 -3.220 11.493 -10.947 361 HB2 SER 55 2HB SER 55 -4.307 9.146 -10.359 362 HB3 SER 55 3HB SER 55 -3.827 9.539 -12.010 363 HG SER 55 HG SER 55 -3.106 7.443 -11.011 364 H VAL 56 H VAL 56 -4.694 11.570 -9.168 365 HA VAL 56 HA VAL 56 -3.774 10.608 -6.585 366 HB VAL 56 HB VAL 56 -3.878 12.789 -5.503 367 HG11 VAL 56 1HG1 VAL 56 -1.753 11.875 -6.570 368 HG12 VAL 56 2HG1 VAL 56 -2.020 13.062 -7.848 369 HG13 VAL 56 3HG1 VAL 56 -1.780 13.596 -6.184 370 HG21 VAL 56 3HG2 VAL 56 -4.595 13.713 -8.258 371 HG22 VAL 56 1HG2 VAL 56 -5.365 14.089 -6.716 372 HG23 VAL 56 2HG2 VAL 56 -3.809 14.811 -7.124 373 H ASP 57 H ASP 57 -5.390 11.281 -4.834 374 HA ASP 57 HA ASP 57 -8.109 11.473 -5.938 375 HB2 ASP 57 2HB ASP 57 -6.955 9.193 -4.670 376 HB3 ASP 57 3HB ASP 57 -8.186 9.853 -3.596 377 H GLN 58 H GLN 58 -8.793 13.393 -5.229 378 HA GLN 58 HA GLN 58 -8.358 14.053 -2.390 379 HB2 GLN 58 2HB GLN 58 -8.765 16.465 -3.253 380 HB3 GLN 58 3HB GLN 58 -7.195 15.719 -3.516 381 HG2 GLN 58 2HG GLN 58 -7.490 15.550 -5.764 382 HG3 GLN 58 3HG GLN 58 -9.242 15.406 -5.635 383 HE21 GLN 58 1HE2 GLN 58 -6.719 17.409 -6.456 384 HE22 GLN 58 2HE2 GLN 58 -7.562 18.917 -6.468 385 H SER 59 H SER 59 -10.369 12.628 -2.289 386 HA SER 59 HA SER 59 -12.814 14.047 -3.029 387 HB2 SER 59 2HB SER 59 -12.093 11.303 -2.823 388 HB3 SER 59 3HB SER 59 -13.359 11.610 -1.635 389 HG SER 59 HG SER 59 -14.739 12.130 -3.207 390 H ASP 60 H ASP 60 -10.946 14.838 -0.811 391 HA ASP 60 HA ASP 60 -12.937 14.826 1.362 392 HB2 ASP 60 2HB ASP 60 -10.096 14.124 1.390 393 HB3 ASP 60 3HB ASP 60 -10.527 15.316 2.613 394 H GLN 61 H GLN 61 -10.460 16.618 -0.369 395 HA GLN 61 HA GLN 61 -10.403 18.977 1.068 396 HB2 GLN 61 2HB GLN 61 -9.538 20.024 -0.877 397 HB3 GLN 61 3HB GLN 61 -8.993 18.353 -0.937 398 HG2 GLN 61 2HG GLN 61 -9.667 18.661 -3.094 399 HG3 GLN 61 3HG GLN 61 -11.143 18.013 -2.380 400 HE21 GLN 61 1HE2 GLN 61 -12.153 19.043 -4.238 401 HE22 GLN 61 2HE2 GLN 61 -12.566 20.718 -4.146 402 H SER 62 H SER 62 -11.359 21.098 0.440 403 HA SER 62 HA SER 62 -14.114 20.831 -0.554 404 HB2 SER 62 2HB SER 62 -13.599 21.133 2.093 405 HB3 SER 62 3HB SER 62 -13.690 22.821 1.593 406 HG SER 62 HG SER 62 -15.663 20.832 1.125 407 H PHE 63 H PHE 63 -11.281 22.827 -0.058 408 HA PHE 63 HA PHE 63 -12.088 25.282 -0.970 409 HB2 PHE 63 2HB PHE 63 -9.790 24.654 -0.154 410 HB3 PHE 63 3HB PHE 63 -9.475 23.980 -1.750 411 HD1 PHE 63 HD1 PHE 63 -9.801 25.585 -3.755 412 HD2 PHE 63 HD2 PHE 63 -9.311 26.870 0.273 413 HE1 PHE 63 HE1 PHE 63 -9.095 27.803 -4.552 414 HE2 PHE 63 HE2 PHE 63 -8.605 29.090 -0.517 415 HZ PHE 63 HZ PHE 63 -8.496 29.560 -2.932 416 H LEU 64 H LEU 64 -10.367 23.037 -3.130 417 HA LEU 64 HA LEU 64 -11.133 24.264 -5.504 418 HB2 LEU 64 2HB LEU 64 -10.665 21.309 -5.280 419 HB3 LEU 64 3HB LEU 64 -10.288 22.383 -6.626 420 HG LEU 64 HG LEU 64 -8.846 22.211 -3.983 421 HD11 LEU 64 1HD1 LEU 64 -8.100 21.477 -6.805 422 HD12 LEU 64 2HD1 LEU 64 -8.225 20.410 -5.407 423 HD13 LEU 64 3HD1 LEU 64 -6.936 21.611 -5.486 424 HD21 LEU 64 3HD2 LEU 64 -9.082 24.404 -5.808 425 HD22 LEU 64 1HD2 LEU 64 -7.427 23.794 -5.823 426 HD23 LEU 64 2HD2 LEU 64 -8.167 24.298 -4.303 427 H ASP 65 H ASP 65 -12.607 23.548 -7.166 428 HA ASP 65 HA ASP 65 -14.995 22.204 -6.079 429 HB2 ASP 65 2HB ASP 65 -14.729 24.664 -7.766 430 HB3 ASP 65 3HB ASP 65 -16.163 23.654 -7.935 431 H ASP 66 H ASP 66 -13.765 23.195 -9.278 432 HA ASP 66 HA ASP 66 -13.634 20.456 -10.169 433 HB2 ASP 66 2HB ASP 66 -16.094 21.411 -10.382 434 HB3 ASP 66 3HB ASP 66 -15.432 22.173 -11.825 435 H ASP 67 H ASP 67 -13.576 23.882 -11.038 436 HA ASP 67 HA ASP 67 -12.040 23.534 -13.407 437 HB2 ASP 67 2HB ASP 67 -12.825 25.869 -11.709 438 HB3 ASP 67 3HB ASP 67 -11.562 26.076 -12.919 439 H GLN 68 H GLN 68 -11.257 24.071 -10.032 440 HA GLN 68 HA GLN 68 -8.531 24.724 -10.382 441 HB2 GLN 68 2HB GLN 68 -10.190 23.748 -8.092 442 HB3 GLN 68 3HB GLN 68 -8.438 23.762 -7.938 443 HG2 GLN 68 2HG GLN 68 -9.727 25.788 -7.087 444 HG3 GLN 68 3HG GLN 68 -8.317 26.078 -8.105 445 HE21 GLN 68 1HE2 GLN 68 -8.597 27.566 -9.589 446 HE22 GLN 68 2HE2 GLN 68 -10.089 27.983 -10.354 447 H ILE 69 H ILE 69 -10.079 21.648 -9.459 448 HA ILE 69 HA ILE 69 -7.741 20.104 -9.453 449 HB ILE 69 HB ILE 69 -10.488 19.079 -10.158 450 HG12 ILE 69 2HG1 ILE 69 -10.049 18.641 -7.441 451 HG13 ILE 69 3HG1 ILE 69 -9.513 20.297 -7.703 452 HG21 ILE 69 1HG2 ILE 69 -9.552 17.085 -8.835 453 HG22 ILE 69 2HG2 ILE 69 -8.961 17.350 -10.475 454 HG23 ILE 69 3HG2 ILE 69 -7.977 17.837 -9.094 455 HD11 ILE 69 3HD1 ILE 69 -12.201 19.225 -8.524 456 HD12 ILE 69 1HD1 ILE 69 -11.880 20.109 -7.032 457 HD13 ILE 69 2HD1 ILE 69 -11.656 20.901 -8.593 458 H GLU 70 H GLU 70 -9.950 20.971 -12.048 459 HA GLU 70 HA GLU 70 -9.136 19.180 -14.008 460 HB2 GLU 70 2HB GLU 70 -10.780 21.449 -13.878 461 HB3 GLU 70 3HB GLU 70 -9.606 21.797 -15.139 462 HG2 GLU 70 2HG GLU 70 -10.186 19.547 -16.124 463 HG3 GLU 70 3HG GLU 70 -11.536 19.503 -14.991 464 H ALA 71 H ALA 71 -7.911 22.477 -13.428 465 HA ALA 71 HA ALA 71 -5.941 22.547 -15.364 466 HB1 ALA 71 1HB ALA 71 -6.652 24.461 -13.954 467 HB2 ALA 71 2HB ALA 71 -5.726 23.774 -12.619 468 HB3 ALA 71 3HB ALA 71 -4.901 24.296 -14.088 469 H GLY 72 H GLY 72 -5.846 21.103 -12.147 470 HA2 GLY 72 2HA GLY 72 -4.377 19.027 -12.190 471 HA3 GLY 72 3HA GLY 72 -3.119 20.131 -12.723 472 H TYR 73 H TYR 73 -4.739 22.034 -10.745 473 HA TYR 73 HA TYR 73 -2.848 21.825 -8.639 474 HB2 TYR 73 2HB TYR 73 -5.464 23.339 -8.614 475 HB3 TYR 73 3HB TYR 73 -4.057 23.641 -7.601 476 HD1 TYR 73 HD1 TYR 73 -1.805 23.851 -9.220 477 HD2 TYR 73 HD2 TYR 73 -5.792 24.955 -10.214 478 HE1 TYR 73 HE1 TYR 73 -0.943 25.442 -10.886 479 HE2 TYR 73 HE2 TYR 73 -4.941 26.549 -11.883 480 HH TYR 73 HH TYR 73 -3.116 27.222 -13.023 481 H VAL 74 H VAL 74 -2.855 20.097 -7.343 482 HA VAL 74 HA VAL 74 -5.426 19.266 -6.160 483 HB VAL 74 HB VAL 74 -4.546 17.027 -5.904 484 HG11 VAL 74 1HG1 VAL 74 -4.505 16.342 -8.202 485 HG12 VAL 74 2HG1 VAL 74 -5.630 17.692 -8.045 486 HG13 VAL 74 3HG1 VAL 74 -4.023 17.956 -8.724 487 HG21 VAL 74 3HG2 VAL 74 -2.346 16.442 -6.953 488 HG22 VAL 74 1HG2 VAL 74 -2.028 18.170 -7.099 489 HG23 VAL 74 2HG2 VAL 74 -2.229 17.442 -5.506 490 H LEU 75 H LEU 75 -5.614 19.347 -4.008 491 HA LEU 75 HA LEU 75 -3.656 20.607 -2.419 492 HB2 LEU 75 2HB LEU 75 -6.102 19.023 -1.657 493 HB3 LEU 75 3HB LEU 75 -5.121 19.937 -0.512 494 HG LEU 75 HG LEU 75 -6.856 20.998 -2.731 495 HD11 LEU 75 1HD1 LEU 75 -8.292 21.585 -1.124 496 HD12 LEU 75 2HD1 LEU 75 -7.009 22.133 -0.046 497 HD13 LEU 75 3HD1 LEU 75 -7.427 20.422 -0.119 498 HD21 LEU 75 3HD2 LEU 75 -4.850 22.492 -1.045 499 HD22 LEU 75 1HD2 LEU 75 -6.047 23.232 -2.108 500 HD23 LEU 75 2HD2 LEU 75 -4.765 22.229 -2.787 501 H THR 76 H THR 76 -1.818 19.771 -1.713 502 HA THR 76 HA THR 76 -1.275 16.976 -1.738 503 HB THR 76 HB THR 76 0.887 17.565 -0.735 504 HG1 THR 76 HG1 THR 76 1.298 19.657 -0.079 505 HG21 THR 76 3HG2 THR 76 -0.154 19.127 -3.062 506 HG22 THR 76 1HG2 THR 76 1.010 17.803 -3.032 507 HG23 THR 76 2HG2 THR 76 1.488 19.412 -2.488 508 H CYS 77 H CYS 77 -2.543 19.154 0.614 509 HA CYS 77 HA CYS 77 -1.873 17.567 2.911 510 HB2 CYS 77 2HB CYS 77 -3.422 19.099 4.108 511 HB3 CYS 77 3HB CYS 77 -2.189 19.952 3.185 512 H VAL 78 H VAL 78 -4.000 17.100 0.431 513 HA VAL 78 HA VAL 78 -5.443 15.078 1.914 514 HB VAL 78 HB VAL 78 -7.666 15.919 0.986 515 HG11 VAL 78 1HG1 VAL 78 -6.787 16.035 3.395 516 HG12 VAL 78 2HG1 VAL 78 -6.530 17.751 3.072 517 HG13 VAL 78 3HG1 VAL 78 -8.151 17.064 2.961 518 HG21 VAL 78 3HG2 VAL 78 -6.038 18.445 0.736 519 HG22 VAL 78 1HG2 VAL 78 -6.864 17.577 -0.558 520 HG23 VAL 78 2HG2 VAL 78 -7.800 18.385 0.698 521 H ALA 79 H ALA 79 -3.587 14.731 -0.065 522 HA ALA 79 HA ALA 79 -5.226 13.921 -2.379 523 HB1 ALA 79 1HB ALA 79 -3.755 15.577 -3.174 524 HB2 ALA 79 2HB ALA 79 -2.392 14.914 -2.272 525 HB3 ALA 79 3HB ALA 79 -3.037 14.041 -3.661 526 H TYR 80 H TYR 80 -5.229 11.824 -2.925 527 HA TYR 80 HA TYR 80 -3.455 10.029 -1.416 528 HB2 TYR 80 2HB TYR 80 -6.106 9.466 -2.760 529 HB3 TYR 80 3HB TYR 80 -5.131 8.272 -1.910 530 HD1 TYR 80 HD2 TYR 80 -4.388 9.247 0.559 531 HD2 TYR 80 HD1 TYR 80 -7.936 10.206 -1.585 532 HE1 TYR 80 HE2 TYR 80 -5.497 9.841 2.672 533 HE2 TYR 80 HE1 TYR 80 -9.055 10.803 0.522 534 HH TYR 80 HH TYR 80 -8.912 10.768 2.758 535 HA PRO 81 HA PRO 81 -1.611 9.692 -5.560 536 HB2 PRO 81 2HB PRO 81 0.790 8.820 -4.641 537 HB3 PRO 81 3HB PRO 81 0.342 10.529 -4.686 538 HG2 PRO 81 2HG PRO 81 0.285 8.617 -2.384 539 HG3 PRO 81 3HG PRO 81 0.840 10.300 -2.426 540 HD2 PRO 81 2HD PRO 81 -1.589 9.590 -1.463 541 HD3 PRO 81 3HD PRO 81 -1.301 11.141 -2.278 542 H THR 82 H THR 82 -3.200 7.896 -5.781 543 HA THR 82 HA THR 82 -2.887 5.327 -4.817 544 HB THR 82 HB THR 82 -4.855 6.054 -6.105 545 HG1 THR 82 HG1 THR 82 -3.546 3.821 -7.304 546 HG21 THR 82 3HG2 THR 82 -3.583 7.303 -7.849 547 HG22 THR 82 1HG2 THR 82 -4.809 6.220 -8.505 548 HG23 THR 82 2HG2 THR 82 -3.108 5.756 -8.549 549 H SER 83 H SER 83 -1.098 6.975 -7.305 550 HA SER 83 HA SER 83 0.771 4.750 -7.426 551 HB2 SER 83 2HB SER 83 -1.124 4.773 -9.341 552 HB3 SER 83 3HB SER 83 0.054 5.852 -10.088 553 HG SER 83 HG SER 83 0.928 4.024 -10.681 554 H ASP 84 H ASP 84 2.611 5.437 -9.072 555 HA ASP 84 HA ASP 84 3.990 7.552 -7.977 556 HB2 ASP 84 2HB ASP 84 5.249 6.040 -9.263 557 HB3 ASP 84 3HB ASP 84 4.190 6.208 -10.661 558 H CYS 85 H CYS 85 3.916 9.700 -8.141 559 HA CYS 85 HA CYS 85 2.686 10.939 -10.482 560 HB2 CYS 85 2HB CYS 85 1.349 12.456 -9.011 561 HB3 CYS 85 3HB CYS 85 0.823 10.778 -8.966 562 HG CYS 85 HG CYS 85 0.553 11.644 -6.392 563 H THR 86 H THR 86 3.138 13.243 -10.647 564 HA THR 86 HA THR 86 5.547 14.029 -9.139 565 HB THR 86 HB THR 86 4.946 14.656 -12.036 566 HG1 THR 86 HG1 THR 86 5.764 12.440 -11.237 567 HG21 THR 86 3HG2 THR 86 6.351 16.367 -11.722 568 HG22 THR 86 1HG2 THR 86 7.622 15.165 -11.504 569 HG23 THR 86 2HG2 THR 86 6.773 15.815 -10.101 570 H ILE 87 H ILE 87 3.933 15.043 -7.702 571 HA ILE 87 HA ILE 87 2.318 17.198 -8.624 572 HB ILE 87 HB ILE 87 3.280 16.726 -5.802 573 HG12 ILE 87 2HG1 ILE 87 0.610 15.823 -6.200 574 HG13 ILE 87 3HG1 ILE 87 1.611 15.092 -7.450 575 HG21 ILE 87 1HG2 ILE 87 2.262 18.730 -5.594 576 HG22 ILE 87 2HG2 ILE 87 1.319 18.526 -7.070 577 HG23 ILE 87 3HG2 ILE 87 0.801 17.743 -5.577 578 HD11 ILE 87 3HD1 ILE 87 2.975 14.020 -5.879 579 HD12 ILE 87 1HD1 ILE 87 2.375 15.017 -4.553 580 HD13 ILE 87 2HD1 ILE 87 1.327 13.804 -5.290 581 H GLU 88 H GLU 88 2.736 19.330 -8.790 582 HA GLU 88 HA GLU 88 5.499 20.185 -8.298 583 HB2 GLU 88 2HB GLU 88 3.318 21.218 -10.097 584 HB3 GLU 88 3HB GLU 88 4.737 22.187 -9.725 585 HG2 GLU 88 2HG GLU 88 5.697 19.666 -10.485 586 HG3 GLU 88 3HG GLU 88 4.426 20.079 -11.634 587 H THR 89 H THR 89 5.746 21.026 -6.329 588 HA THR 89 HA THR 89 3.659 22.267 -4.853 589 HB THR 89 HB THR 89 5.283 22.717 -3.162 590 HG1 THR 89 HG1 THR 89 7.487 22.685 -3.576 591 HG21 THR 89 3HG2 THR 89 5.897 20.140 -4.606 592 HG22 THR 89 1HG2 THR 89 4.740 20.385 -3.298 593 HG23 THR 89 2HG2 THR 89 6.470 20.519 -2.982 594 H HIS 90 H HIS 90 4.217 24.512 -3.794 595 HA HIS 90 HA HIS 90 4.241 26.770 -4.069 596 HB2 HIS 90 2HB HIS 90 6.375 26.029 -6.076 597 HB3 HIS 90 3HB HIS 90 6.015 27.685 -5.598 598 HD1 HIS 90 HD1 HIS 90 6.605 24.512 -3.566 599 HD2 HIS 90 HD2 HIS 90 7.923 28.442 -3.853 600 HE1 HIS 90 HE1 HIS 90 8.287 24.794 -1.718 601 H LYS 91 H LYS 91 2.072 25.839 -5.163 602 HA LYS 91 HA LYS 91 1.742 27.460 -7.568 603 HB2 LYS 91 2HB LYS 91 1.097 24.521 -7.376 604 HB3 LYS 91 3HB LYS 91 0.334 25.573 -8.560 605 HG2 LYS 91 2HG LYS 91 3.312 25.443 -8.359 606 HG3 LYS 91 3HG LYS 91 2.415 24.198 -9.232 607 HD2 LYS 91 2HD LYS 91 1.298 26.132 -10.479 608 HD3 LYS 91 3HD LYS 91 2.578 27.144 -9.807 609 HE2 LYS 91 2HE LYS 91 4.258 25.681 -10.836 610 HE3 LYS 91 3HE LYS 91 2.970 24.691 -11.519 611 HZ1 LYS 91 3HZ LYS 91 2.443 26.268 -13.054 612 HZ2 LYS 91 1HZ LYS 91 4.095 26.595 -12.896 613 HZ3 LYS 91 2HZ LYS 91 2.961 27.562 -12.095 614 H GLU 92 H GLU 92 0.850 28.513 -5.423 615 HA GLU 92 HA GLU 92 -2.020 27.860 -5.302 616 HB2 GLU 92 2HB GLU 92 -2.063 28.477 -2.968 617 HB3 GLU 92 3HB GLU 92 -0.837 27.242 -3.212 618 HG2 GLU 92 2HG GLU 92 -0.193 30.172 -3.126 619 HG3 GLU 92 3HG GLU 92 -0.224 29.154 -1.687 620 H GLU 93 H GLU 93 -0.453 29.794 -6.946 621 HA GLU 93 HA GLU 93 -1.501 32.340 -5.934 622 HB2 GLU 93 2HB GLU 93 0.955 31.814 -6.898 623 HB3 GLU 93 3HB GLU 93 0.151 32.271 -8.394 624 HG2 GLU 93 2HG GLU 93 -0.653 34.317 -6.966 625 HG3 GLU 93 3HG GLU 93 0.755 33.908 -5.987 626 H ASP 94 H ASP 94 -1.941 29.965 -8.393 627 HA ASP 94 HA ASP 94 -3.314 31.574 -10.287 628 HB2 ASP 94 2HB ASP 94 -2.673 28.757 -9.937 629 HB3 ASP 94 3HB ASP 94 -4.289 28.988 -10.597 630 H LEU 95 H LEU 95 -4.229 30.105 -7.306 631 HA LEU 95 HA LEU 95 -7.078 30.379 -7.881 632 HB2 LEU 95 2HB LEU 95 -5.997 29.520 -5.236 633 HB3 LEU 95 3HB LEU 95 -7.494 29.050 -6.039 634 HG LEU 95 HG LEU 95 -4.707 28.077 -6.650 635 HD11 LEU 95 1HD1 LEU 95 -6.800 27.158 -4.942 636 HD12 LEU 95 2HD1 LEU 95 -5.207 26.458 -5.225 637 HD13 LEU 95 3HD1 LEU 95 -6.566 25.998 -6.250 638 HD21 LEU 95 3HD2 LEU 95 -6.286 26.535 -8.172 639 HD22 LEU 95 1HD2 LEU 95 -5.493 27.994 -8.767 640 HD23 LEU 95 2HD2 LEU 95 -7.182 28.052 -8.261 641 H TYR 96 H TYR 96 -5.107 32.644 -7.469 642 HA TYR 96 HA TYR 96 -6.658 34.040 -5.392 643 HB2 TYR 96 2HB TYR 96 -3.698 33.884 -5.767 644 HB3 TYR 96 3HB TYR 96 -4.391 35.383 -5.158 645 HD1 TYR 96 HD1 TYR 96 -4.783 31.713 -4.524 646 HD2 TYR 96 HD2 TYR 96 -4.397 35.615 -2.871 647 HE1 TYR 96 HE1 TYR 96 -4.853 30.754 -2.261 648 HE2 TYR 96 HE2 TYR 96 -4.465 34.666 -0.603 649 HH TYR 96 HH TYR 96 -4.367 31.220 -0.047 Start of MODEL 7 1 H1 ALA 1 H ALA 1 1.936 -0.189 0.792 2 HA ALA 1 HA ALA 1 2.497 -0.425 -1.491 3 HB1 ALA 1 1HB ALA 1 0.921 -0.779 -3.030 4 HB2 ALA 1 2HB ALA 1 -0.226 -0.758 -1.690 5 HB3 ALA 1 3HB ALA 1 0.068 0.710 -2.622 6 H SER 2 H SER 2 3.954 1.222 -1.142 7 HA SER 2 HA SER 2 2.985 3.979 -1.396 8 HB2 SER 2 2HB SER 2 4.388 4.204 0.362 9 HB3 SER 2 3HB SER 2 5.228 2.696 0.000 10 HG SER 2 HG SER 2 6.748 4.116 -0.483 11 H TYR 3 H TYR 3 3.630 5.322 -3.018 12 HA TYR 3 HA TYR 3 5.298 4.123 -5.132 13 HB2 TYR 3 2HB TYR 3 2.779 5.740 -5.289 14 HB3 TYR 3 3HB TYR 3 3.936 5.800 -6.614 15 HD1 TYR 3 HD1 TYR 3 4.358 3.825 -7.989 16 HD2 TYR 3 HD2 TYR 3 1.487 3.744 -4.850 17 HE1 TYR 3 HE1 TYR 3 3.414 1.751 -8.914 18 HE2 TYR 3 HE2 TYR 3 0.536 1.669 -5.766 19 HH TYR 3 HH TYR 3 0.451 0.381 -7.702 20 H THR 4 H THR 4 6.545 5.620 -6.425 21 HA THR 4 HA THR 4 7.906 7.541 -4.834 22 HB THR 4 HB THR 4 9.162 6.385 -6.515 23 HG1 THR 4 HG1 THR 4 10.259 8.129 -7.057 24 HG21 THR 4 3HG2 THR 4 8.298 5.848 -8.495 25 HG22 THR 4 1HG2 THR 4 8.197 7.553 -8.935 26 HG23 THR 4 2HG2 THR 4 6.850 6.775 -8.103 27 H VAL 5 H VAL 5 7.202 9.508 -4.362 28 HA VAL 5 HA VAL 5 5.470 10.897 -6.299 29 HB VAL 5 HB VAL 5 5.713 11.318 -3.317 30 HG11 VAL 5 1HG1 VAL 5 3.487 12.655 -4.032 31 HG12 VAL 5 2HG1 VAL 5 5.076 13.408 -3.885 32 HG13 VAL 5 3HG1 VAL 5 4.478 12.909 -5.468 33 HG21 VAL 5 3HG2 VAL 5 4.511 9.308 -3.727 34 HG22 VAL 5 1HG2 VAL 5 3.317 10.553 -3.360 35 HG23 VAL 5 2HG2 VAL 5 3.584 10.052 -5.030 36 H LYS 6 H LYS 6 6.623 12.265 -7.496 37 HA LYS 6 HA LYS 6 9.008 13.535 -6.463 38 HB2 LYS 6 2HB LYS 6 8.559 12.658 -8.879 39 HB3 LYS 6 3HB LYS 6 7.749 14.203 -9.104 40 HG2 LYS 6 2HG LYS 6 9.690 15.189 -9.476 41 HG3 LYS 6 3HG LYS 6 10.277 14.680 -7.891 42 HD2 LYS 6 2HD LYS 6 11.407 12.892 -8.733 43 HD3 LYS 6 3HD LYS 6 10.250 12.640 -10.042 44 HE2 LYS 6 2HE LYS 6 11.154 14.700 -11.129 45 HE3 LYS 6 3HE LYS 6 12.400 14.747 -9.883 46 HZ1 LYS 6 3HZ LYS 6 12.492 13.365 -12.259 47 HZ2 LYS 6 1HZ LYS 6 12.253 12.176 -11.080 48 HZ3 LYS 6 2HZ LYS 6 13.573 13.228 -10.965 49 H LEU 7 H LEU 7 8.961 15.360 -5.346 50 HA LEU 7 HA LEU 7 6.677 17.178 -5.689 51 HB2 LEU 7 2HB LEU 7 8.570 16.678 -3.417 52 HB3 LEU 7 3HB LEU 7 7.606 18.152 -3.499 53 HG LEU 7 HG LEU 7 6.521 15.338 -3.367 54 HD11 LEU 7 1HD1 LEU 7 7.202 15.674 -1.218 55 HD12 LEU 7 2HD1 LEU 7 5.621 16.452 -1.150 56 HD13 LEU 7 3HD1 LEU 7 7.077 17.430 -1.332 57 HD21 LEU 7 3HD2 LEU 7 5.307 17.948 -3.966 58 HD22 LEU 7 1HD2 LEU 7 4.466 16.987 -2.750 59 HD23 LEU 7 2HD2 LEU 7 4.755 16.318 -4.356 60 H ILE 8 H ILE 8 7.334 18.408 -7.419 61 HA ILE 8 HA ILE 8 9.930 19.461 -7.759 62 HB ILE 8 HB ILE 8 7.383 20.647 -8.857 63 HG12 ILE 8 2HG1 ILE 8 7.398 18.267 -9.355 64 HG13 ILE 8 3HG1 ILE 8 7.760 19.176 -10.818 65 HG21 ILE 8 1HG2 ILE 8 8.942 22.146 -9.522 66 HG22 ILE 8 2HG2 ILE 8 10.269 20.994 -9.382 67 HG23 ILE 8 3HG2 ILE 8 9.210 20.952 -10.791 68 HD11 ILE 8 3HD1 ILE 8 9.689 17.658 -9.086 69 HD12 ILE 8 1HD1 ILE 8 9.202 17.289 -10.740 70 HD13 ILE 8 2HD1 ILE 8 10.175 18.722 -10.406 71 H THR 9 H THR 9 10.900 21.228 -6.976 72 HA THR 9 HA THR 9 9.299 23.329 -5.722 73 HB THR 9 HB THR 9 10.429 23.322 -3.663 74 HG1 THR 9 HG1 THR 9 12.463 22.770 -3.597 75 HG21 THR 9 3HG2 THR 9 10.300 20.366 -4.133 76 HG22 THR 9 1HG2 THR 9 8.831 21.340 -4.169 77 HG23 THR 9 2HG2 THR 9 9.821 21.291 -2.710 78 HA PRO 10 HA PRO 10 12.202 26.038 -7.600 79 HB2 PRO 10 2HB PRO 10 12.137 28.136 -5.878 80 HB3 PRO 10 3HB PRO 10 10.809 27.758 -6.983 81 HG2 PRO 10 2HG PRO 10 11.092 27.118 -4.072 82 HG3 PRO 10 3HG PRO 10 9.674 27.713 -4.954 83 HD2 PRO 10 2HD PRO 10 9.984 25.108 -4.282 84 HD3 PRO 10 3HD PRO 10 9.137 25.620 -5.756 85 H ASP 11 H ASP 11 12.768 24.623 -4.578 86 HA ASP 11 HA ASP 11 15.495 25.726 -4.454 87 HB2 ASP 11 2HB ASP 11 13.859 24.365 -2.302 88 HB3 ASP 11 3HB ASP 11 15.517 24.928 -2.106 89 H GLY 12 H GLY 12 14.289 23.425 -6.081 90 HA2 GLY 12 2HA GLY 12 16.109 21.799 -6.789 91 HA3 GLY 12 3HA GLY 12 16.078 21.288 -5.108 92 H GLU 13 H GLU 13 15.704 19.219 -6.453 93 HA GLU 13 HA GLU 13 12.796 18.844 -6.747 94 HB2 GLU 13 2HB GLU 13 15.067 17.731 -8.376 95 HB3 GLU 13 3HB GLU 13 13.496 16.945 -8.340 96 HG2 GLU 13 2HG GLU 13 12.447 18.693 -9.429 97 HG3 GLU 13 3HG GLU 13 13.706 19.849 -8.999 98 H SER 14 H SER 14 12.149 17.817 -4.963 99 HA SER 14 HA SER 14 13.844 15.713 -3.826 100 HB2 SER 14 2HB SER 14 11.336 16.491 -2.451 101 HB3 SER 14 3HB SER 14 12.940 16.186 -1.786 102 HG SER 14 HG SER 14 13.141 18.267 -1.722 103 H SER 15 H SER 15 12.734 13.751 -3.004 104 HA SER 15 HA SER 15 10.294 13.021 -4.425 105 HB2 SER 15 2HB SER 15 11.283 10.952 -5.313 106 HB3 SER 15 3HB SER 15 12.107 12.372 -5.957 107 HG SER 15 HG SER 15 13.008 10.802 -3.769 108 H ILE 16 H ILE 16 8.991 12.253 -2.912 109 HA ILE 16 HA ILE 16 10.153 10.632 -0.741 110 HB ILE 16 HB ILE 16 8.147 11.313 0.600 111 HG12 ILE 16 2HG1 ILE 16 7.817 13.513 -1.433 112 HG13 ILE 16 3HG1 ILE 16 6.872 12.030 -1.507 113 HG21 ILE 16 1HG2 ILE 16 9.988 13.517 -0.319 114 HG22 ILE 16 2HG2 ILE 16 9.025 13.538 1.157 115 HG23 ILE 16 3HG2 ILE 16 10.312 12.349 0.962 116 HD11 ILE 16 3HD1 ILE 16 5.413 12.997 -0.158 117 HD12 ILE 16 1HD1 ILE 16 6.626 12.918 1.120 118 HD13 ILE 16 2HD1 ILE 16 6.492 14.364 0.119 119 H GLU 17 H GLU 17 8.698 8.985 0.174 120 HA GLU 17 HA GLU 17 7.078 7.755 -1.950 121 HB2 GLU 17 2HB GLU 17 9.038 6.719 -0.104 122 HB3 GLU 17 3HB GLU 17 7.507 5.879 0.099 123 HG2 GLU 17 2HG GLU 17 8.589 4.603 -1.487 124 HG3 GLU 17 3HG GLU 17 7.550 5.639 -2.464 125 H CYS 18 H CYS 18 4.966 8.025 -1.715 126 HA CYS 18 HA CYS 18 3.849 8.098 1.009 127 HB2 CYS 18 2HB CYS 18 3.633 10.190 -0.406 128 HB3 CYS 18 3HB CYS 18 2.575 9.267 -1.466 129 HG CYS 18 HG CYS 18 1.833 9.450 1.844 130 H SER 19 H SER 19 1.870 7.027 1.401 131 HA SER 19 HA SER 19 1.446 4.735 -0.371 132 HB2 SER 19 2HB SER 19 1.617 4.962 2.408 133 HB3 SER 19 3HB SER 19 -0.096 4.691 2.089 134 HG SER 19 HG SER 19 0.386 2.788 1.099 135 H ASP 20 H ASP 20 -0.703 4.047 -0.907 136 HA ASP 20 HA ASP 20 -2.335 6.073 -1.918 137 HB2 ASP 20 2HB ASP 20 -3.350 3.316 -1.248 138 HB3 ASP 20 3HB ASP 20 -3.837 4.369 -2.574 139 H ASP 21 H ASP 21 -2.216 4.628 1.217 140 HA ASP 21 HA ASP 21 -4.747 5.924 1.965 141 HB2 ASP 21 2HB ASP 21 -3.185 3.915 3.593 142 HB3 ASP 21 3HB ASP 21 -4.844 4.448 3.850 143 H THR 22 H THR 22 -2.404 7.476 1.563 144 HA THR 22 HA THR 22 -2.201 8.681 4.206 145 HB THR 22 HB THR 22 0.383 8.395 2.745 146 HG1 THR 22 HG1 THR 22 0.732 6.397 3.862 147 HG21 THR 22 3HG2 THR 22 0.591 9.741 4.625 148 HG22 THR 22 1HG2 THR 22 1.084 8.164 5.239 149 HG23 THR 22 2HG2 THR 22 -0.538 8.771 5.570 150 H TYR 23 H TYR 23 -1.363 10.862 4.156 151 HA TYR 23 HA TYR 23 -2.086 12.213 1.689 152 HB2 TYR 23 2HB TYR 23 -1.166 13.537 4.234 153 HB3 TYR 23 3HB TYR 23 -2.181 14.206 2.961 154 HD1 TYR 23 HD1 TYR 23 -4.526 13.310 2.685 155 HD2 TYR 23 HD2 TYR 23 -2.113 12.397 6.068 156 HE1 TYR 23 HE1 TYR 23 -6.537 12.641 3.932 157 HE2 TYR 23 HE2 TYR 23 -4.117 11.725 7.324 158 HH TYR 23 HH TYR 23 -6.443 11.952 7.337 159 H ILE 24 H ILE 24 -0.732 13.396 0.413 160 HA ILE 24 HA ILE 24 1.977 12.679 0.281 161 HB ILE 24 HB ILE 24 0.603 15.073 -0.947 162 HG12 ILE 24 2HG1 ILE 24 1.341 12.589 -2.439 163 HG13 ILE 24 3HG1 ILE 24 -0.108 12.578 -1.439 164 HG21 ILE 24 1HG2 ILE 24 3.247 13.786 -1.613 165 HG22 ILE 24 2HG2 ILE 24 2.470 15.065 -2.544 166 HG23 ILE 24 3HG2 ILE 24 3.010 15.379 -0.895 167 HD11 ILE 24 3HD1 ILE 24 -1.112 13.317 -3.289 168 HD12 ILE 24 1HD1 ILE 24 -0.439 14.881 -2.832 169 HD13 ILE 24 2HD1 ILE 24 0.399 13.870 -4.010 170 H LEU 25 H LEU 25 0.345 15.290 1.919 171 HA LEU 25 HA LEU 25 2.678 16.864 2.402 172 HB2 LEU 25 2HB LEU 25 0.399 17.791 2.413 173 HB3 LEU 25 3HB LEU 25 0.034 16.840 3.852 174 HG LEU 25 HG LEU 25 1.716 18.126 5.105 175 HD11 LEU 25 1HD1 LEU 25 1.906 19.870 2.658 176 HD12 LEU 25 2HD1 LEU 25 3.121 18.679 3.120 177 HD13 LEU 25 3HD1 LEU 25 2.783 20.049 4.177 178 HD21 LEU 25 3HD2 LEU 25 -0.793 18.817 4.636 179 HD22 LEU 25 1HD2 LEU 25 -0.014 20.194 3.857 180 HD23 LEU 25 2HD2 LEU 25 0.296 19.853 5.560 181 H ASP 26 H ASP 26 0.790 14.583 4.366 182 HA ASP 26 HA ASP 26 2.270 14.784 6.723 183 HB2 ASP 26 2HB ASP 26 0.054 13.438 6.049 184 HB3 ASP 26 3HB ASP 26 1.210 12.110 5.971 185 H ALA 27 H ALA 27 2.662 12.540 3.994 186 HA ALA 27 HA ALA 27 4.968 11.271 5.103 187 HB1 ALA 27 1HB ALA 27 3.235 10.525 3.217 188 HB2 ALA 27 2HB ALA 27 4.511 11.166 2.181 189 HB3 ALA 27 3HB ALA 27 4.869 9.871 3.323 190 H ALA 28 H ALA 28 4.480 14.250 3.607 191 HA ALA 28 HA ALA 28 7.089 14.428 2.364 192 HB1 ALA 28 1HB ALA 28 4.833 16.384 2.712 193 HB2 ALA 28 2HB ALA 28 6.387 16.838 2.011 194 HB3 ALA 28 3HB ALA 28 5.393 15.609 1.230 195 H GLU 29 H GLU 29 5.466 16.412 4.852 196 HA GLU 29 HA GLU 29 7.800 17.627 5.801 197 HB2 GLU 29 2HB GLU 29 6.440 18.157 7.831 198 HB3 GLU 29 3HB GLU 29 5.668 18.594 6.313 199 HG2 GLU 29 2HG GLU 29 3.893 17.400 6.850 200 HG3 GLU 29 3HG GLU 29 4.885 15.948 6.971 201 H GLU 30 H GLU 30 6.273 14.587 6.632 202 HA GLU 30 HA GLU 30 7.756 14.092 9.000 203 HB2 GLU 30 2HB GLU 30 5.611 12.957 8.348 204 HB3 GLU 30 3HB GLU 30 6.523 12.043 7.156 205 HG2 GLU 30 2HG GLU 30 7.758 10.916 8.818 206 HG3 GLU 30 3HG GLU 30 7.207 12.018 10.078 207 H ALA 31 H ALA 31 8.473 13.798 5.643 208 HA ALA 31 HA ALA 31 10.780 12.073 6.144 209 HB1 ALA 31 1HB ALA 31 9.873 13.167 3.491 210 HB2 ALA 31 2HB ALA 31 10.943 11.798 3.794 211 HB3 ALA 31 3HB ALA 31 9.230 11.685 4.199 212 H GLY 32 H GLY 32 9.976 15.343 5.084 213 HA2 GLY 32 2HA GLY 32 12.006 16.745 6.120 214 HA3 GLY 32 3HA GLY 32 12.776 16.027 4.712 215 H LEU 33 H LEU 33 10.000 16.193 3.391 216 HA LEU 33 HA LEU 33 10.482 18.653 2.040 217 HB2 LEU 33 2HB LEU 33 8.378 16.539 1.917 218 HB3 LEU 33 3HB LEU 33 8.110 18.078 1.101 219 HG LEU 33 HG LEU 33 8.947 16.360 -0.428 220 HD11 LEU 33 1HD1 LEU 33 10.000 18.959 -0.043 221 HD12 LEU 33 2HD1 LEU 33 9.864 18.040 -1.542 222 HD13 LEU 33 3HD1 LEU 33 11.323 17.913 -0.559 223 HD21 LEU 33 3HD2 LEU 33 10.985 15.268 -0.183 224 HD22 LEU 33 1HD2 LEU 33 10.319 15.251 1.450 225 HD23 LEU 33 2HD2 LEU 33 11.569 16.418 1.021 226 H ASP 34 H ASP 34 10.143 20.535 3.033 227 HA ASP 34 HA ASP 34 7.881 20.836 4.856 228 HB2 ASP 34 2HB ASP 34 10.197 22.675 4.221 229 HB3 ASP 34 3HB ASP 34 8.922 23.041 5.379 230 H LEU 35 H LEU 35 6.871 20.491 2.432 231 HA LEU 35 HA LEU 35 6.639 22.601 0.672 232 HB2 LEU 35 2HB LEU 35 4.880 20.337 1.445 233 HB3 LEU 35 3HB LEU 35 4.180 21.624 0.465 234 HG LEU 35 HG LEU 35 5.458 21.097 -1.379 235 HD11 LEU 35 1HD1 LEU 35 7.405 19.909 0.568 236 HD12 LEU 35 2HD1 LEU 35 7.650 21.225 -0.579 237 HD13 LEU 35 3HD1 LEU 35 7.493 19.567 -1.160 238 HD21 LEU 35 3HD2 LEU 35 3.930 19.191 -0.499 239 HD22 LEU 35 1HD2 LEU 35 5.452 18.356 -0.186 240 HD23 LEU 35 2HD2 LEU 35 5.048 18.867 -1.825 241 HA PRO 36 HA PRO 36 4.314 25.794 2.581 242 HB2 PRO 36 2HB PRO 36 2.678 26.610 0.573 243 HB3 PRO 36 3HB PRO 36 4.416 26.933 0.588 244 HG2 PRO 36 2HG PRO 36 2.898 24.797 -0.860 245 HG3 PRO 36 3HG PRO 36 4.228 25.815 -1.443 246 HD2 PRO 36 2HD PRO 36 4.599 23.260 -0.627 247 HD3 PRO 36 3HD PRO 36 5.836 24.516 -0.422 248 H TYR 37 H TYR 37 3.198 24.418 4.098 249 HA TYR 37 HA TYR 37 0.375 23.968 3.377 250 HB2 TYR 37 2HB TYR 37 0.311 22.006 4.673 251 HB3 TYR 37 3HB TYR 37 1.839 21.902 3.805 252 HD1 TYR 37 HD1 TYR 37 0.272 22.457 7.080 253 HD2 TYR 37 HD2 TYR 37 3.946 22.045 4.973 254 HE1 TYR 37 HE1 TYR 37 1.459 22.178 9.216 255 HE2 TYR 37 HE2 TYR 37 5.142 21.763 7.103 256 HH TYR 37 HH TYR 37 3.427 21.925 10.210 257 H SER 38 H SER 38 -1.172 24.223 5.097 258 HA SER 38 HA SER 38 -0.264 25.696 7.452 259 HB2 SER 38 2HB SER 38 -0.739 27.487 5.919 260 HB3 SER 38 3HB SER 38 -2.270 26.749 5.448 261 HG SER 38 HG SER 38 -1.698 27.575 8.097 262 H CYS 39 H CYS 39 -2.972 24.237 5.702 263 HA CYS 39 HA CYS 39 -4.462 23.872 8.176 264 HB2 CYS 39 2HB CYS 39 -6.282 23.143 6.800 265 HB3 CYS 39 3HB CYS 39 -5.579 24.563 6.033 266 H ARG 40 H ARG 40 -2.669 21.994 5.814 267 HA ARG 40 HA ARG 40 -2.236 19.738 5.666 268 HB2 ARG 40 2HB ARG 40 -1.031 18.909 7.610 269 HB3 ARG 40 3HB ARG 40 -0.594 20.583 7.294 270 HG2 ARG 40 2HG ARG 40 -1.751 21.367 9.151 271 HG3 ARG 40 3HG ARG 40 -2.726 19.902 9.279 272 HD2 ARG 40 2HD ARG 40 -0.360 18.785 9.643 273 HD3 ARG 40 3HD ARG 40 0.068 20.415 10.162 274 HE ARG 40 HE ARG 40 -2.316 19.575 11.429 275 HH11 ARG 40 1HH1 ARG 40 1.128 19.067 11.464 276 HH12 ARG 40 2HH1 ARG 40 1.176 18.619 13.136 277 HH21 ARG 40 1HH2 ARG 40 -2.265 18.986 13.632 278 HH22 ARG 40 2HH2 ARG 40 -0.755 18.572 14.368 279 H ALA 41 H ALA 41 -4.982 20.128 5.907 280 HA ALA 41 HA ALA 41 -5.742 17.610 7.146 281 HB1 ALA 41 1HB ALA 41 -6.446 18.654 9.006 282 HB2 ALA 41 2HB ALA 41 -6.489 20.236 8.226 283 HB3 ALA 41 3HB ALA 41 -7.829 19.110 8.011 284 H GLY 42 H GLY 42 -6.661 20.439 5.245 285 HA2 GLY 42 2HA GLY 42 -7.496 19.743 2.962 286 HA3 GLY 42 3HA GLY 42 -8.657 18.767 3.850 287 H ALA 43 H ALA 43 -7.557 22.118 3.437 288 HA ALA 43 HA ALA 43 -10.119 23.140 2.955 289 HB1 ALA 43 1HB ALA 43 -10.266 24.483 5.155 290 HB2 ALA 43 2HB ALA 43 -10.801 22.802 5.148 291 HB3 ALA 43 3HB ALA 43 -9.221 23.221 5.810 292 H CYS 44 H CYS 44 -7.502 23.420 1.919 293 HA CYS 44 HA CYS 44 -7.317 26.303 1.891 294 HB2 CYS 44 2HB CYS 44 -5.240 26.589 2.828 295 HB3 CYS 44 3HB CYS 44 -5.816 25.238 3.799 296 H SER 45 H SER 45 -5.242 26.866 0.455 297 HA SER 45 HA SER 45 -5.033 24.930 -1.738 298 HB2 SER 45 2HB SER 45 -6.026 26.247 -3.274 299 HB3 SER 45 3HB SER 45 -6.681 27.146 -1.905 300 HG SER 45 HG SER 45 -4.884 28.535 -2.042 301 H THR 46 H THR 46 -3.402 26.450 0.502 302 HA THR 46 HA THR 46 -1.303 27.708 -1.008 303 HB THR 46 HB THR 46 -1.978 28.294 1.386 304 HG1 THR 46 HG1 THR 46 0.091 28.818 0.201 305 HG21 THR 46 3HG2 THR 46 -1.578 25.669 1.902 306 HG22 THR 46 1HG2 THR 46 -1.496 26.934 3.127 307 HG23 THR 46 2HG2 THR 46 -0.016 26.331 2.381 308 H CYS 47 H CYS 47 -2.006 24.522 0.117 309 HA CYS 47 HA CYS 47 0.749 23.638 -0.346 310 HB2 CYS 47 2HB CYS 47 0.018 21.507 0.660 311 HB3 CYS 47 3HB CYS 47 -0.281 22.874 1.729 312 H ALA 48 H ALA 48 -2.208 23.873 -1.936 313 HA ALA 48 HA ALA 48 -2.467 21.583 -3.434 314 HB1 ALA 48 1HB ALA 48 -2.824 24.182 -4.833 315 HB2 ALA 48 2HB ALA 48 -3.873 22.764 -4.792 316 HB3 ALA 48 3HB ALA 48 -3.809 23.853 -3.407 317 H GLY 49 H GLY 49 -1.620 20.801 -5.350 318 HA2 GLY 49 2HA GLY 49 0.703 22.238 -6.456 319 HA3 GLY 49 3HA GLY 49 0.845 20.544 -6.011 320 H LYS 50 H LYS 50 0.859 22.235 -8.617 321 HA LYS 50 HA LYS 50 -1.304 21.176 -10.161 322 HB2 LYS 50 2HB LYS 50 -0.115 23.318 -10.672 323 HB3 LYS 50 3HB LYS 50 1.291 22.374 -11.146 324 HG2 LYS 50 2HG LYS 50 0.167 21.446 -13.000 325 HG3 LYS 50 3HG LYS 50 -1.402 22.018 -12.427 326 HD2 LYS 50 2HD LYS 50 -1.137 23.916 -13.553 327 HD3 LYS 50 3HD LYS 50 0.350 24.254 -12.663 328 HE2 LYS 50 2HE LYS 50 1.558 22.787 -14.285 329 HE3 LYS 50 3HE LYS 50 0.065 22.676 -15.217 330 HZ1 LYS 50 3HZ LYS 50 1.882 24.480 -15.742 331 HZ2 LYS 50 1HZ LYS 50 1.059 25.343 -14.542 332 HZ3 LYS 50 2HZ LYS 50 0.234 24.815 -15.920 333 H ILE 51 H ILE 51 -1.445 19.072 -10.583 334 HA ILE 51 HA ILE 51 1.019 17.569 -11.144 335 HB ILE 51 HB ILE 51 -0.998 16.935 -9.414 336 HG12 ILE 51 2HG1 ILE 51 1.201 15.929 -9.387 337 HG13 ILE 51 3HG1 ILE 51 -0.005 14.648 -9.435 338 HG21 ILE 51 1HG2 ILE 51 -1.464 15.272 -11.884 339 HG22 ILE 51 2HG2 ILE 51 -2.298 15.136 -10.337 340 HG23 ILE 51 3HG2 ILE 51 -2.525 16.571 -11.337 341 HD11 ILE 51 3HD1 ILE 51 1.505 13.891 -10.969 342 HD12 ILE 51 1HD1 ILE 51 0.400 14.785 -12.014 343 HD13 ILE 51 2HD1 ILE 51 1.928 15.512 -11.518 344 H THR 52 H THR 52 1.319 16.538 -13.053 345 HA THR 52 HA THR 52 -0.874 16.598 -15.013 346 HB THR 52 HB THR 52 0.475 18.406 -15.721 347 HG1 THR 52 HG1 THR 52 0.616 17.670 -17.700 348 HG21 THR 52 3HG2 THR 52 2.917 18.227 -16.019 349 HG22 THR 52 1HG2 THR 52 2.868 16.603 -15.334 350 HG23 THR 52 2HG2 THR 52 2.435 17.994 -14.339 351 H ALA 53 H ALA 53 2.197 15.172 -14.017 352 HA ALA 53 HA ALA 53 1.639 12.834 -15.709 353 HB1 ALA 53 1HB ALA 53 3.834 13.949 -15.987 354 HB2 ALA 53 2HB ALA 53 4.214 13.546 -14.312 355 HB3 ALA 53 3HB ALA 53 3.966 12.260 -15.494 356 H GLY 54 H GLY 54 0.011 12.047 -14.235 357 HA2 GLY 54 2HA GLY 54 0.580 9.943 -12.699 358 HA3 GLY 54 3HA GLY 54 0.880 11.258 -11.572 359 H SER 55 H SER 55 -0.789 10.605 -10.198 360 HA SER 55 HA SER 55 -3.327 11.739 -10.759 361 HB2 SER 55 2HB SER 55 -3.487 9.612 -12.081 362 HB3 SER 55 3HB SER 55 -3.298 8.718 -10.572 363 HG SER 55 HG SER 55 -5.312 9.101 -10.124 364 H VAL 56 H VAL 56 -4.775 11.637 -8.941 365 HA VAL 56 HA VAL 56 -3.811 10.415 -6.492 366 HB VAL 56 HB VAL 56 -3.933 12.550 -5.218 367 HG11 VAL 56 1HG1 VAL 56 -1.867 12.453 -7.414 368 HG12 VAL 56 2HG1 VAL 56 -1.734 13.383 -5.920 369 HG13 VAL 56 3HG1 VAL 56 -1.780 11.621 -5.862 370 HG21 VAL 56 3HG2 VAL 56 -3.603 14.644 -6.642 371 HG22 VAL 56 1HG2 VAL 56 -4.227 13.684 -7.983 372 HG23 VAL 56 2HG2 VAL 56 -5.231 13.971 -6.562 373 H ASP 57 H ASP 57 -5.358 11.033 -4.628 374 HA ASP 57 HA ASP 57 -8.104 11.232 -5.678 375 HB2 ASP 57 2HB ASP 57 -6.911 9.026 -4.365 376 HB3 ASP 57 3HB ASP 57 -8.041 9.748 -3.222 377 H GLN 58 H GLN 58 -8.910 13.114 -5.032 378 HA GLN 58 HA GLN 58 -8.439 13.945 -2.245 379 HB2 GLN 58 2HB GLN 58 -8.768 16.322 -3.201 380 HB3 GLN 58 3HB GLN 58 -7.218 15.528 -3.447 381 HG2 GLN 58 2HG GLN 58 -7.528 15.296 -5.686 382 HG3 GLN 58 3HG GLN 58 -9.283 15.192 -5.545 383 HE21 GLN 58 1HE2 GLN 58 -6.767 17.090 -6.525 384 HE22 GLN 58 2HE2 GLN 58 -7.562 18.623 -6.551 385 H SER 59 H SER 59 -10.459 12.613 -2.025 386 HA SER 59 HA SER 59 -12.868 14.044 -2.889 387 HB2 SER 59 2HB SER 59 -12.259 11.333 -2.824 388 HB3 SER 59 3HB SER 59 -13.321 11.559 -1.434 389 HG SER 59 HG SER 59 -14.646 12.804 -3.073 390 H ASP 60 H ASP 60 -10.910 14.555 -0.532 391 HA ASP 60 HA ASP 60 -12.984 14.737 1.554 392 HB2 ASP 60 2HB ASP 60 -10.074 14.096 1.692 393 HB3 ASP 60 3HB ASP 60 -10.791 14.986 3.032 394 H GLN 61 H GLN 61 -10.827 16.442 -0.466 395 HA GLN 61 HA GLN 61 -10.224 18.731 0.952 396 HB2 GLN 61 2HB GLN 61 -10.128 19.881 -1.229 397 HB3 GLN 61 3HB GLN 61 -9.329 18.315 -1.266 398 HG2 GLN 61 2HG GLN 61 -10.507 18.368 -3.256 399 HG3 GLN 61 3HG GLN 61 -11.551 17.429 -2.189 400 HE21 GLN 61 1HE2 GLN 61 -10.978 20.861 -2.909 401 HE22 GLN 61 2HE2 GLN 61 -12.646 21.279 -3.074 402 H SER 62 H SER 62 -11.192 20.960 0.465 403 HA SER 62 HA SER 62 -14.072 20.989 0.133 404 HB2 SER 62 2HB SER 62 -12.959 20.840 2.730 405 HB3 SER 62 3HB SER 62 -13.520 22.499 2.517 406 HG SER 62 HG SER 62 -14.966 20.117 2.572 407 H PHE 63 H PHE 63 -11.494 22.134 -0.994 408 HA PHE 63 HA PHE 63 -12.307 24.966 -0.916 409 HB2 PHE 63 2HB PHE 63 -10.132 24.680 0.148 410 HB3 PHE 63 3HB PHE 63 -9.528 23.823 -1.267 411 HD1 PHE 63 HD1 PHE 63 -9.199 25.048 -3.397 412 HD2 PHE 63 HD2 PHE 63 -10.180 27.040 0.233 413 HE1 PHE 63 HE1 PHE 63 -8.447 27.180 -4.368 414 HE2 PHE 63 HE2 PHE 63 -9.431 29.176 -0.732 415 HZ PHE 63 HZ PHE 63 -8.563 29.248 -3.036 416 H LEU 64 H LEU 64 -10.393 22.747 -2.954 417 HA LEU 64 HA LEU 64 -10.790 24.148 -5.348 418 HB2 LEU 64 2HB LEU 64 -10.374 21.178 -5.131 419 HB3 LEU 64 3HB LEU 64 -9.915 22.240 -6.461 420 HG LEU 64 HG LEU 64 -8.673 22.275 -3.711 421 HD11 LEU 64 1HD1 LEU 64 -8.026 20.798 -6.202 422 HD12 LEU 64 2HD1 LEU 64 -7.811 20.329 -4.515 423 HD13 LEU 64 3HD1 LEU 64 -6.689 21.465 -5.264 424 HD21 LEU 64 3HD2 LEU 64 -7.231 23.909 -4.469 425 HD22 LEU 64 1HD2 LEU 64 -8.746 24.384 -5.236 426 HD23 LEU 64 2HD2 LEU 64 -7.518 23.526 -6.167 427 H ASP 65 H ASP 65 -11.726 22.435 -7.240 428 HA ASP 65 HA ASP 65 -14.220 21.242 -6.616 429 HB2 ASP 65 2HB ASP 65 -14.401 23.978 -6.673 430 HB3 ASP 65 3HB ASP 65 -14.816 23.552 -8.331 431 H ASP 66 H ASP 66 -15.569 21.447 -8.975 432 HA ASP 66 HA ASP 66 -14.197 19.687 -10.652 433 HB2 ASP 66 2HB ASP 66 -16.742 21.094 -10.672 434 HB3 ASP 66 3HB ASP 66 -16.062 20.953 -12.291 435 H ASP 67 H ASP 67 -14.044 23.111 -10.410 436 HA ASP 67 HA ASP 67 -12.937 23.490 -13.061 437 HB2 ASP 67 2HB ASP 67 -14.323 25.261 -12.162 438 HB3 ASP 67 3HB ASP 67 -13.297 25.389 -10.735 439 H GLN 68 H GLN 68 -11.769 23.934 -9.721 440 HA GLN 68 HA GLN 68 -9.098 24.450 -10.395 441 HB2 GLN 68 2HB GLN 68 -10.613 23.858 -7.969 442 HB3 GLN 68 3HB GLN 68 -8.969 23.238 -7.915 443 HG2 GLN 68 2HG GLN 68 -8.568 25.299 -7.093 444 HG3 GLN 68 3HG GLN 68 -8.438 25.683 -8.809 445 HE21 GLN 68 1HE2 GLN 68 -9.380 27.527 -9.263 446 HE22 GLN 68 2HE2 GLN 68 -10.852 28.120 -8.582 447 H ILE 69 H ILE 69 -10.523 21.421 -9.156 448 HA ILE 69 HA ILE 69 -8.303 19.799 -9.371 449 HB ILE 69 HB ILE 69 -11.170 19.001 -9.890 450 HG12 ILE 69 2HG1 ILE 69 -9.590 18.810 -7.322 451 HG13 ILE 69 3HG1 ILE 69 -10.676 20.144 -7.692 452 HG21 ILE 69 1HG2 ILE 69 -9.992 17.169 -10.626 453 HG22 ILE 69 2HG2 ILE 69 -8.654 17.447 -9.512 454 HG23 ILE 69 3HG2 ILE 69 -10.176 16.787 -8.914 455 HD11 ILE 69 3HD1 ILE 69 -12.079 18.835 -6.488 456 HD12 ILE 69 1HD1 ILE 69 -12.379 18.165 -8.091 457 HD13 ILE 69 2HD1 ILE 69 -11.287 17.338 -6.979 458 H GLU 70 H GLU 70 -10.434 20.946 -11.883 459 HA GLU 70 HA GLU 70 -9.736 19.110 -13.903 460 HB2 GLU 70 2HB GLU 70 -11.279 21.523 -13.681 461 HB3 GLU 70 3HB GLU 70 -10.272 21.602 -15.121 462 HG2 GLU 70 2HG GLU 70 -11.233 19.111 -15.377 463 HG3 GLU 70 3HG GLU 70 -12.566 19.862 -14.502 464 H ALA 71 H ALA 71 -8.445 22.324 -13.109 465 HA ALA 71 HA ALA 71 -6.584 22.555 -15.156 466 HB1 ALA 71 1HB ALA 71 -6.975 23.770 -12.514 467 HB2 ALA 71 2HB ALA 71 -5.317 23.813 -13.114 468 HB3 ALA 71 3HB ALA 71 -6.619 24.520 -14.070 469 H GLY 72 H GLY 72 -6.337 20.882 -12.057 470 HA2 GLY 72 2HA GLY 72 -4.920 18.802 -12.270 471 HA3 GLY 72 3HA GLY 72 -3.682 19.887 -12.887 472 H TYR 73 H TYR 73 -5.223 21.657 -10.638 473 HA TYR 73 HA TYR 73 -3.095 21.433 -8.757 474 HB2 TYR 73 2HB TYR 73 -5.733 22.858 -8.382 475 HB3 TYR 73 3HB TYR 73 -4.228 23.166 -7.524 476 HD1 TYR 73 HD1 TYR 73 -2.179 23.707 -9.187 477 HD2 TYR 73 HD2 TYR 73 -6.297 24.339 -10.052 478 HE1 TYR 73 HE1 TYR 73 -1.562 25.394 -10.867 479 HE2 TYR 73 HE2 TYR 73 -5.691 26.027 -11.734 480 HH TYR 73 HH TYR 73 -3.827 26.676 -13.103 481 H VAL 74 H VAL 74 -2.891 19.924 -7.256 482 HA VAL 74 HA VAL 74 -5.333 18.766 -6.075 483 HB VAL 74 HB VAL 74 -4.130 16.669 -5.750 484 HG11 VAL 74 1HG1 VAL 74 -4.393 17.819 -8.488 485 HG12 VAL 74 2HG1 VAL 74 -3.689 16.212 -8.294 486 HG13 VAL 74 3HG1 VAL 74 -5.321 16.538 -7.710 487 HG21 VAL 74 3HG2 VAL 74 -1.850 18.311 -6.466 488 HG22 VAL 74 1HG2 VAL 74 -1.905 16.752 -5.643 489 HG23 VAL 74 2HG2 VAL 74 -1.911 16.819 -7.405 490 H LEU 75 H LEU 75 -5.521 18.858 -3.922 491 HA LEU 75 HA LEU 75 -3.634 20.335 -2.385 492 HB2 LEU 75 2HB LEU 75 -6.084 18.760 -1.624 493 HB3 LEU 75 3HB LEU 75 -5.124 19.678 -0.466 494 HG LEU 75 HG LEU 75 -6.733 20.764 -2.772 495 HD11 LEU 75 1HD1 LEU 75 -8.158 20.289 -0.959 496 HD12 LEU 75 2HD1 LEU 75 -7.819 22.016 -0.856 497 HD13 LEU 75 3HD1 LEU 75 -6.991 20.890 0.220 498 HD21 LEU 75 3HD2 LEU 75 -4.916 22.226 -0.858 499 HD22 LEU 75 1HD2 LEU 75 -5.997 22.976 -2.032 500 HD23 LEU 75 2HD2 LEU 75 -4.639 21.996 -2.586 501 H THR 76 H THR 76 -1.749 19.530 -1.755 502 HA THR 76 HA THR 76 -1.143 16.779 -1.602 503 HB THR 76 HB THR 76 0.967 17.460 -0.556 504 HG1 THR 76 HG1 THR 76 1.283 19.532 0.138 505 HG21 THR 76 3HG2 THR 76 1.034 17.650 -2.893 506 HG22 THR 76 1HG2 THR 76 1.640 19.203 -2.317 507 HG23 THR 76 2HG2 THR 76 -0.020 19.064 -2.898 508 H CYS 77 H CYS 77 -2.605 18.945 0.629 509 HA CYS 77 HA CYS 77 -1.948 17.442 2.994 510 HB2 CYS 77 2HB CYS 77 -3.329 19.002 4.173 511 HB3 CYS 77 3HB CYS 77 -2.418 19.913 2.974 512 H VAL 78 H VAL 78 -4.080 16.986 0.462 513 HA VAL 78 HA VAL 78 -5.462 14.888 1.908 514 HB VAL 78 HB VAL 78 -7.705 15.679 1.026 515 HG11 VAL 78 1HG1 VAL 78 -6.570 17.563 3.067 516 HG12 VAL 78 2HG1 VAL 78 -8.187 16.863 2.986 517 HG13 VAL 78 3HG1 VAL 78 -6.807 15.852 3.417 518 HG21 VAL 78 3HG2 VAL 78 -6.988 17.333 -0.559 519 HG22 VAL 78 1HG2 VAL 78 -7.904 18.142 0.713 520 HG23 VAL 78 2HG2 VAL 78 -6.143 18.237 0.697 521 H ALA 79 H ALA 79 -3.620 14.520 -0.025 522 HA ALA 79 HA ALA 79 -5.235 13.713 -2.356 523 HB1 ALA 79 1HB ALA 79 -3.861 15.446 -3.158 524 HB2 ALA 79 2HB ALA 79 -2.453 14.847 -2.280 525 HB3 ALA 79 3HB ALA 79 -3.073 13.952 -3.667 526 H TYR 80 H TYR 80 -5.209 11.610 -2.827 527 HA TYR 80 HA TYR 80 -3.230 9.916 -1.457 528 HB2 TYR 80 2HB TYR 80 -5.971 9.190 -2.513 529 HB3 TYR 80 3HB TYR 80 -4.868 8.090 -1.695 530 HD1 TYR 80 HD1 TYR 80 -4.082 8.896 0.696 531 HD2 TYR 80 HD2 TYR 80 -7.611 10.238 -1.266 532 HE1 TYR 80 HE1 TYR 80 -5.033 9.551 2.868 533 HE2 TYR 80 HE2 TYR 80 -8.571 10.897 0.900 534 HH TYR 80 HH TYR 80 -8.291 10.952 3.098 535 HA PRO 81 HA PRO 81 -1.935 9.618 -5.838 536 HB2 PRO 81 2HB PRO 81 0.673 9.153 -5.245 537 HB3 PRO 81 3HB PRO 81 -0.020 10.777 -5.321 538 HG2 PRO 81 2HG PRO 81 0.529 9.062 -2.930 539 HG3 PRO 81 3HG PRO 81 0.822 10.796 -3.154 540 HD2 PRO 81 2HD PRO 81 -1.316 9.843 -1.793 541 HD3 PRO 81 3HD PRO 81 -1.375 11.350 -2.731 542 H THR 82 H THR 82 -3.184 7.631 -5.908 543 HA THR 82 HA THR 82 -2.446 5.198 -4.790 544 HB THR 82 HB THR 82 -3.514 4.894 -7.488 545 HG1 THR 82 HG1 THR 82 -4.973 6.510 -5.646 546 HG21 THR 82 3HG2 THR 82 -4.481 4.248 -4.707 547 HG22 THR 82 1HG2 THR 82 -3.774 3.144 -5.885 548 HG23 THR 82 2HG2 THR 82 -5.374 3.830 -6.169 549 H SER 83 H SER 83 -1.072 6.925 -7.456 550 HA SER 83 HA SER 83 0.927 4.807 -7.763 551 HB2 SER 83 2HB SER 83 -1.064 5.127 -9.635 552 HB3 SER 83 3HB SER 83 0.241 6.109 -10.302 553 HG SER 83 HG SER 83 0.164 3.351 -9.788 554 H ASP 84 H ASP 84 2.801 5.631 -9.152 555 HA ASP 84 HA ASP 84 4.018 7.784 -7.933 556 HB2 ASP 84 2HB ASP 84 5.595 7.778 -9.855 557 HB3 ASP 84 3HB ASP 84 5.295 6.168 -9.207 558 H CYS 85 H CYS 85 4.371 9.939 -8.480 559 HA CYS 85 HA CYS 85 3.174 11.140 -10.784 560 HB2 CYS 85 2HB CYS 85 1.654 12.646 -9.428 561 HB3 CYS 85 3HB CYS 85 1.125 10.975 -9.586 562 HG CYS 85 HG CYS 85 2.863 10.947 -6.905 563 H THR 86 H THR 86 3.502 13.503 -10.823 564 HA THR 86 HA THR 86 5.753 14.306 -9.096 565 HB THR 86 HB THR 86 5.320 15.030 -12.001 566 HG1 THR 86 HG1 THR 86 6.255 12.856 -11.193 567 HG21 THR 86 3HG2 THR 86 6.849 16.302 -9.915 568 HG22 THR 86 1HG2 THR 86 6.604 16.807 -11.586 569 HG23 THR 86 2HG2 THR 86 7.915 15.697 -11.183 570 H ILE 87 H ILE 87 4.135 15.241 -7.681 571 HA ILE 87 HA ILE 87 2.391 17.306 -8.561 572 HB ILE 87 HB ILE 87 3.405 16.737 -5.774 573 HG12 ILE 87 2HG1 ILE 87 0.735 15.956 -6.004 574 HG13 ILE 87 3HG1 ILE 87 1.487 15.393 -7.493 575 HG21 ILE 87 1HG2 ILE 87 1.371 18.618 -6.866 576 HG22 ILE 87 2HG2 ILE 87 1.088 17.872 -5.294 577 HG23 ILE 87 3HG2 ILE 87 2.533 18.847 -5.560 578 HD11 ILE 87 3HD1 ILE 87 3.106 14.130 -6.259 579 HD12 ILE 87 1HD1 ILE 87 2.525 14.797 -4.734 580 HD13 ILE 87 2HD1 ILE 87 1.493 13.721 -5.677 581 H GLU 88 H GLU 88 2.772 19.395 -8.918 582 HA GLU 88 HA GLU 88 5.449 20.431 -8.406 583 HB2 GLU 88 2HB GLU 88 3.148 21.314 -10.120 584 HB3 GLU 88 3HB GLU 88 4.448 22.433 -9.732 585 HG2 GLU 88 2HG GLU 88 6.009 20.583 -10.604 586 HG3 GLU 88 3HG GLU 88 4.552 19.911 -11.335 587 H THR 89 H THR 89 5.749 21.270 -6.447 588 HA THR 89 HA THR 89 3.640 22.383 -4.877 589 HB THR 89 HB THR 89 5.224 22.717 -3.174 590 HG1 THR 89 HG1 THR 89 7.465 22.856 -3.607 591 HG21 THR 89 3HG2 THR 89 6.336 20.425 -4.794 592 HG22 THR 89 1HG2 THR 89 4.890 20.334 -3.789 593 HG23 THR 89 2HG2 THR 89 6.460 20.644 -3.049 594 H HIS 90 H HIS 90 4.091 24.606 -3.787 595 HA HIS 90 HA HIS 90 4.049 26.871 -4.002 596 HB2 HIS 90 2HB HIS 90 6.263 26.233 -5.957 597 HB3 HIS 90 3HB HIS 90 5.829 27.873 -5.485 598 HD1 HIS 90 HD1 HIS 90 6.366 24.754 -3.366 599 HD2 HIS 90 HD2 HIS 90 7.754 28.650 -3.757 600 HE1 HIS 90 HE1 HIS 90 8.003 25.076 -1.485 601 H LYS 91 H LYS 91 1.980 25.764 -5.252 602 HA LYS 91 HA LYS 91 1.705 27.398 -7.680 603 HB2 LYS 91 2HB LYS 91 1.035 24.498 -7.308 604 HB3 LYS 91 3HB LYS 91 0.122 25.474 -8.452 605 HG2 LYS 91 2HG LYS 91 3.116 25.169 -8.503 606 HG3 LYS 91 3HG LYS 91 1.996 24.199 -9.462 607 HD2 LYS 91 2HD LYS 91 1.130 26.296 -10.473 608 HD3 LYS 91 3HD LYS 91 2.371 27.191 -9.592 609 HE2 LYS 91 2HE LYS 91 4.032 25.592 -10.729 610 HE3 LYS 91 3HE LYS 91 2.700 25.204 -11.817 611 HZ1 LYS 91 3HZ LYS 91 2.532 27.609 -12.306 612 HZ2 LYS 91 1HZ LYS 91 4.006 26.931 -12.786 613 HZ3 LYS 91 2HZ LYS 91 3.926 27.872 -11.384 614 H GLU 92 H GLU 92 0.909 28.477 -5.404 615 HA GLU 92 HA GLU 92 -2.004 28.037 -5.309 616 HB2 GLU 92 2HB GLU 92 -1.955 28.912 -3.020 617 HB3 GLU 92 3HB GLU 92 -0.925 27.497 -3.186 618 HG2 GLU 92 2HG GLU 92 0.727 28.654 -2.289 619 HG3 GLU 92 3HG GLU 92 0.719 29.700 -3.708 620 H GLU 93 H GLU 93 -0.602 29.716 -7.203 621 HA GLU 93 HA GLU 93 -1.476 32.389 -6.332 622 HB2 GLU 93 2HB GLU 93 0.065 33.330 -7.916 623 HB3 GLU 93 3HB GLU 93 0.929 32.145 -6.946 624 HG2 GLU 93 2HG GLU 93 0.796 30.528 -8.737 625 HG3 GLU 93 3HG GLU 93 -0.162 31.647 -9.706 626 H ASP 94 H ASP 94 -1.964 29.852 -8.614 627 HA ASP 94 HA ASP 94 -3.295 31.375 -10.617 628 HB2 ASP 94 2HB ASP 94 -3.019 28.463 -9.991 629 HB3 ASP 94 3HB ASP 94 -4.253 28.975 -11.139 630 H LEU 95 H LEU 95 -4.208 30.239 -7.533 631 HA LEU 95 HA LEU 95 -7.065 30.433 -8.153 632 HB2 LEU 95 2HB LEU 95 -5.883 29.666 -5.504 633 HB3 LEU 95 3HB LEU 95 -7.492 29.314 -6.131 634 HG LEU 95 HG LEU 95 -4.888 28.046 -6.968 635 HD11 LEU 95 1HD1 LEU 95 -5.487 26.247 -5.753 636 HD12 LEU 95 2HD1 LEU 95 -7.206 26.459 -6.082 637 HD13 LEU 95 3HD1 LEU 95 -6.419 27.435 -4.841 638 HD21 LEU 95 3HD2 LEU 95 -7.519 28.185 -8.305 639 HD22 LEU 95 1HD2 LEU 95 -6.755 26.597 -8.231 640 HD23 LEU 95 2HD2 LEU 95 -5.908 27.948 -8.984 641 H TYR 96 H TYR 96 -4.693 32.492 -7.371 642 HA TYR 96 HA TYR 96 -6.526 34.235 -5.870 643 HB2 TYR 96 2HB TYR 96 -3.562 33.897 -5.369 644 HB3 TYR 96 3HB TYR 96 -4.576 35.122 -4.615 645 HD1 TYR 96 HD1 TYR 96 -7.017 33.456 -4.086 646 HD2 TYR 96 HD2 TYR 96 -2.883 32.632 -3.508 647 HE1 TYR 96 HE1 TYR 96 -7.589 31.879 -2.288 648 HE2 TYR 96 HE2 TYR 96 -3.443 31.052 -1.708 649 HH TYR 96 HH TYR 96 -6.592 29.926 -1.166 Start of MODEL 8 1 H1 ALA 1 H ALA 1 1.563 0.538 1.010 2 HA ALA 1 HA ALA 1 2.425 -0.337 -1.657 3 HB1 ALA 1 1HB ALA 1 -0.410 0.389 -0.926 4 HB2 ALA 1 2HB ALA 1 0.179 0.041 -2.552 5 HB3 ALA 1 3HB ALA 1 0.181 -1.225 -1.324 6 H SER 2 H SER 2 3.914 1.505 -1.082 7 HA SER 2 HA SER 2 2.652 4.127 -1.472 8 HB2 SER 2 2HB SER 2 4.276 5.023 -0.173 9 HB3 SER 2 3HB SER 2 4.533 3.361 0.356 10 HG SER 2 HG SER 2 6.500 3.968 -0.299 11 H TYR 3 H TYR 3 3.479 5.598 -3.017 12 HA TYR 3 HA TYR 3 5.104 4.374 -5.146 13 HB2 TYR 3 2HB TYR 3 2.521 5.890 -5.362 14 HB3 TYR 3 3HB TYR 3 3.669 5.892 -6.696 15 HD1 TYR 3 HD1 TYR 3 4.282 3.722 -7.786 16 HD2 TYR 3 HD2 TYR 3 1.128 4.018 -4.945 17 HE1 TYR 3 HE1 TYR 3 3.382 1.570 -8.569 18 HE2 TYR 3 HE2 TYR 3 0.221 1.867 -5.719 19 HH TYR 3 HH TYR 3 1.888 -0.307 -7.475 20 H THR 4 H THR 4 6.492 5.745 -6.274 21 HA THR 4 HA THR 4 7.719 7.782 -4.833 22 HB THR 4 HB THR 4 9.003 6.768 -6.537 23 HG1 THR 4 HG1 THR 4 8.440 9.219 -7.809 24 HG21 THR 4 3HG2 THR 4 7.328 5.940 -8.014 25 HG22 THR 4 1HG2 THR 4 8.361 7.007 -8.963 26 HG23 THR 4 2HG2 THR 4 6.783 7.569 -8.412 27 H VAL 5 H VAL 5 7.173 9.817 -4.432 28 HA VAL 5 HA VAL 5 5.207 11.118 -6.203 29 HB VAL 5 HB VAL 5 5.685 11.583 -3.256 30 HG11 VAL 5 1HG1 VAL 5 4.554 13.284 -5.260 31 HG12 VAL 5 2HG1 VAL 5 3.300 12.804 -4.114 32 HG13 VAL 5 3HG1 VAL 5 4.771 13.586 -3.536 33 HG21 VAL 5 3HG2 VAL 5 3.033 10.781 -4.250 34 HG22 VAL 5 1HG2 VAL 5 4.291 9.551 -4.367 35 HG23 VAL 5 2HG2 VAL 5 3.906 10.273 -2.805 36 H LYS 6 H LYS 6 6.461 12.276 -7.574 37 HA LYS 6 HA LYS 6 8.823 13.658 -6.747 38 HB2 LYS 6 2HB LYS 6 7.775 12.845 -9.167 39 HB3 LYS 6 3HB LYS 6 7.589 14.593 -9.230 40 HG2 LYS 6 2HG LYS 6 9.798 14.952 -9.415 41 HG3 LYS 6 3HG LYS 6 10.211 13.650 -8.297 42 HD2 LYS 6 2HD LYS 6 10.576 12.216 -9.968 43 HD3 LYS 6 3HD LYS 6 9.058 12.643 -10.761 44 HE2 LYS 6 2HE LYS 6 10.196 14.700 -11.627 45 HE3 LYS 6 3HE LYS 6 11.709 14.059 -10.987 46 HZ1 LYS 6 3HZ LYS 6 10.136 13.168 -13.282 47 HZ2 LYS 6 1HZ LYS 6 10.951 11.982 -12.392 48 HZ3 LYS 6 2HZ LYS 6 11.815 13.257 -13.091 49 H LEU 7 H LEU 7 8.753 15.395 -5.486 50 HA LEU 7 HA LEU 7 6.514 17.275 -5.770 51 HB2 LEU 7 2HB LEU 7 8.442 16.722 -3.535 52 HB3 LEU 7 3HB LEU 7 7.441 18.172 -3.568 53 HG LEU 7 HG LEU 7 6.452 15.323 -3.462 54 HD11 LEU 7 1HD1 LEU 7 6.990 17.401 -1.433 55 HD12 LEU 7 2HD1 LEU 7 7.035 15.643 -1.302 56 HD13 LEU 7 3HD1 LEU 7 5.489 16.491 -1.258 57 HD21 LEU 7 3HD2 LEU 7 5.131 17.882 -4.065 58 HD22 LEU 7 1HD2 LEU 7 4.324 16.877 -2.860 59 HD23 LEU 7 2HD2 LEU 7 4.655 16.231 -4.468 60 H ILE 8 H ILE 8 7.225 18.469 -7.527 61 HA ILE 8 HA ILE 8 9.829 19.510 -7.821 62 HB ILE 8 HB ILE 8 7.305 20.713 -8.953 63 HG12 ILE 8 2HG1 ILE 8 7.323 18.336 -9.464 64 HG13 ILE 8 3HG1 ILE 8 7.712 19.252 -10.916 65 HG21 ILE 8 1HG2 ILE 8 10.185 20.777 -9.837 66 HG22 ILE 8 2HG2 ILE 8 8.834 21.385 -10.792 67 HG23 ILE 8 3HG2 ILE 8 9.222 22.129 -9.241 68 HD11 ILE 8 3HD1 ILE 8 10.149 18.662 -9.633 69 HD12 ILE 8 1HD1 ILE 8 9.192 17.181 -9.652 70 HD13 ILE 8 2HD1 ILE 8 9.533 18.031 -11.160 71 H THR 9 H THR 9 10.796 21.288 -7.046 72 HA THR 9 HA THR 9 9.188 23.381 -5.787 73 HB THR 9 HB THR 9 10.329 23.375 -3.729 74 HG1 THR 9 HG1 THR 9 12.180 22.057 -3.378 75 HG21 THR 9 3HG2 THR 9 10.181 20.420 -4.194 76 HG22 THR 9 1HG2 THR 9 8.717 21.401 -4.237 77 HG23 THR 9 2HG2 THR 9 9.703 21.351 -2.775 78 HA PRO 10 HA PRO 10 12.083 26.105 -7.655 79 HB2 PRO 10 2HB PRO 10 12.014 28.196 -5.925 80 HB3 PRO 10 3HB PRO 10 10.687 27.819 -7.029 81 HG2 PRO 10 2HG PRO 10 10.974 27.167 -4.122 82 HG3 PRO 10 3HG PRO 10 9.553 27.763 -5.000 83 HD2 PRO 10 2HD PRO 10 9.870 25.156 -4.338 84 HD3 PRO 10 3HD PRO 10 9.021 25.672 -5.809 85 H ASP 11 H ASP 11 12.655 24.681 -4.637 86 HA ASP 11 HA ASP 11 15.379 25.791 -4.510 87 HB2 ASP 11 2HB ASP 11 13.634 25.812 -2.506 88 HB3 ASP 11 3HB ASP 11 14.248 24.178 -2.270 89 H GLY 12 H GLY 12 14.177 23.493 -6.148 90 HA2 GLY 12 2HA GLY 12 15.989 21.875 -6.878 91 HA3 GLY 12 3HA GLY 12 15.989 21.366 -5.196 92 H GLU 13 H GLU 13 15.605 19.278 -6.463 93 HA GLU 13 HA GLU 13 12.699 18.890 -6.758 94 HB2 GLU 13 2HB GLU 13 14.972 17.732 -8.356 95 HB3 GLU 13 3HB GLU 13 13.388 16.970 -8.317 96 HG2 GLU 13 2HG GLU 13 12.374 18.711 -9.448 97 HG3 GLU 13 3HG GLU 13 13.643 19.859 -9.024 98 H SER 14 H SER 14 12.038 17.879 -4.974 99 HA SER 14 HA SER 14 13.742 15.802 -3.793 100 HB2 SER 14 2HB SER 14 11.240 16.649 -2.434 101 HB3 SER 14 3HB SER 14 12.828 16.294 -1.755 102 HG SER 14 HG SER 14 12.021 18.649 -3.113 103 H SER 15 H SER 15 12.648 13.852 -2.948 104 HA SER 15 HA SER 15 10.202 13.107 -4.363 105 HB2 SER 15 2HB SER 15 11.200 10.980 -5.129 106 HB3 SER 15 3HB SER 15 12.006 12.374 -5.846 107 HG SER 15 HG SER 15 13.449 12.055 -3.850 108 H ILE 16 H ILE 16 8.856 11.999 -3.097 109 HA ILE 16 HA ILE 16 9.951 10.517 -0.809 110 HB ILE 16 HB ILE 16 8.024 11.315 0.570 111 HG12 ILE 16 2HG1 ILE 16 7.762 13.532 -1.455 112 HG13 ILE 16 3HG1 ILE 16 6.743 12.098 -1.513 113 HG21 ILE 16 1HG2 ILE 16 9.044 13.440 1.157 114 HG22 ILE 16 2HG2 ILE 16 10.285 12.236 0.817 115 HG23 ILE 16 3HG2 ILE 16 9.904 13.472 -0.382 116 HD11 ILE 16 3HD1 ILE 16 6.736 14.359 0.389 117 HD12 ILE 16 1HD1 ILE 16 5.394 13.444 -0.298 118 HD13 ILE 16 2HD1 ILE 16 6.342 12.762 1.024 119 H GLU 17 H GLU 17 8.797 8.702 -0.183 120 HA GLU 17 HA GLU 17 6.902 7.720 -2.177 121 HB2 GLU 17 2HB GLU 17 8.951 6.528 -0.568 122 HB3 GLU 17 3HB GLU 17 7.418 5.745 -0.213 123 HG2 GLU 17 2HG GLU 17 8.286 4.474 -1.939 124 HG3 GLU 17 3HG GLU 17 7.156 5.552 -2.756 125 H CYS 18 H CYS 18 4.837 8.179 -1.792 126 HA CYS 18 HA CYS 18 3.862 8.037 0.984 127 HB2 CYS 18 2HB CYS 18 2.584 9.519 -1.320 128 HB3 CYS 18 3HB CYS 18 2.126 9.598 0.377 129 HG CYS 18 HG CYS 18 5.295 10.432 0.044 130 H SER 19 H SER 19 1.696 7.200 1.304 131 HA SER 19 HA SER 19 1.108 5.036 -0.591 132 HB2 SER 19 2HB SER 19 1.346 5.057 2.200 133 HB3 SER 19 3HB SER 19 -0.383 4.906 1.892 134 HG SER 19 HG SER 19 1.685 3.250 0.874 135 H ASP 20 H ASP 20 -1.135 4.513 -1.032 136 HA ASP 20 HA ASP 20 -2.630 6.748 -1.853 137 HB2 ASP 20 2HB ASP 20 -4.180 5.230 -2.713 138 HB3 ASP 20 3HB ASP 20 -2.685 4.299 -2.709 139 H ASP 21 H ASP 21 -2.582 4.946 1.107 140 HA ASP 21 HA ASP 21 -5.040 6.238 2.039 141 HB2 ASP 21 2HB ASP 21 -4.185 3.686 2.383 142 HB3 ASP 21 3HB ASP 21 -3.575 4.429 3.859 143 H THR 22 H THR 22 -2.901 7.958 1.633 144 HA THR 22 HA THR 22 -2.627 9.079 4.270 145 HB THR 22 HB THR 22 -0.002 8.737 2.898 146 HG1 THR 22 HG1 THR 22 -0.062 6.644 3.147 147 HG21 THR 22 3HG2 THR 22 -0.974 9.712 5.388 148 HG22 THR 22 1HG2 THR 22 0.684 9.689 4.790 149 HG23 THR 22 2HG2 THR 22 0.058 8.318 5.707 150 H TYR 23 H TYR 23 -1.388 11.184 4.179 151 HA TYR 23 HA TYR 23 -2.100 12.559 1.691 152 HB2 TYR 23 2HB TYR 23 -1.310 13.847 4.302 153 HB3 TYR 23 3HB TYR 23 -2.166 14.580 2.950 154 HD1 TYR 23 HD2 TYR 23 -4.496 13.595 2.387 155 HD2 TYR 23 HD1 TYR 23 -2.508 12.978 6.098 156 HE1 TYR 23 HE2 TYR 23 -6.648 13.037 3.441 157 HE2 TYR 23 HE1 TYR 23 -4.654 12.417 7.161 158 HH TYR 23 HH TYR 23 -6.821 11.927 6.788 159 H ILE 24 H ILE 24 -0.627 13.500 0.400 160 HA ILE 24 HA ILE 24 2.035 12.763 0.412 161 HB ILE 24 HB ILE 24 0.855 15.267 -0.796 162 HG12 ILE 24 2HG1 ILE 24 1.489 12.971 -2.518 163 HG13 ILE 24 3HG1 ILE 24 0.199 12.664 -1.360 164 HG21 ILE 24 1HG2 ILE 24 3.251 15.452 -0.687 165 HG22 ILE 24 2HG2 ILE 24 3.445 13.829 -1.350 166 HG23 ILE 24 3HG2 ILE 24 2.779 15.117 -2.354 167 HD11 ILE 24 3HD1 ILE 24 -1.078 13.498 -3.007 168 HD12 ILE 24 1HD1 ILE 24 -0.594 15.044 -2.309 169 HD13 ILE 24 2HD1 ILE 24 0.250 14.411 -3.724 170 H LEU 25 H LEU 25 0.520 15.623 1.818 171 HA LEU 25 HA LEU 25 2.860 17.015 2.496 172 HB2 LEU 25 2HB LEU 25 0.616 18.005 2.521 173 HB3 LEU 25 3HB LEU 25 0.194 17.001 3.906 174 HG LEU 25 HG LEU 25 1.952 18.181 5.218 175 HD11 LEU 25 1HD1 LEU 25 3.074 20.056 4.410 176 HD12 LEU 25 2HD1 LEU 25 2.001 20.219 3.021 177 HD13 LEU 25 3HD1 LEU 25 3.172 18.902 3.081 178 HD21 LEU 25 3HD2 LEU 25 -0.439 18.816 5.291 179 HD22 LEU 25 1HD2 LEU 25 -0.133 20.000 4.020 180 HD23 LEU 25 2HD2 LEU 25 0.648 20.173 5.592 181 H ASP 26 H ASP 26 0.914 14.706 4.367 182 HA ASP 26 HA ASP 26 2.298 14.796 6.764 183 HB2 ASP 26 2HB ASP 26 0.160 13.521 6.229 184 HB3 ASP 26 3HB ASP 26 1.192 12.253 5.575 185 H ALA 27 H ALA 27 2.788 12.389 4.173 186 HA ALA 27 HA ALA 27 5.141 11.302 5.265 187 HB1 ALA 27 1HB ALA 27 4.341 9.849 3.736 188 HB2 ALA 27 2HB ALA 27 3.709 11.125 2.693 189 HB3 ALA 27 3HB ALA 27 5.426 10.723 2.654 190 H ALA 28 H ALA 28 4.566 14.160 3.414 191 HA ALA 28 HA ALA 28 7.165 14.505 2.336 192 HB1 ALA 28 1HB ALA 28 6.229 17.041 2.534 193 HB2 ALA 28 2HB ALA 28 5.823 15.926 1.229 194 HB3 ALA 28 3HB ALA 28 4.726 16.119 2.596 195 H GLU 29 H GLU 29 5.668 16.536 4.851 196 HA GLU 29 HA GLU 29 8.057 17.573 5.835 197 HB2 GLU 29 2HB GLU 29 6.786 18.320 7.755 198 HB3 GLU 29 3HB GLU 29 5.819 18.519 6.300 199 HG2 GLU 29 2HG GLU 29 4.193 17.459 7.363 200 HG3 GLU 29 3HG GLU 29 5.154 15.990 7.203 201 H GLU 30 H GLU 30 6.450 14.562 6.515 202 HA GLU 30 HA GLU 30 7.790 13.938 8.931 203 HB2 GLU 30 2HB GLU 30 5.715 12.817 8.183 204 HB3 GLU 30 3HB GLU 30 6.613 12.056 6.878 205 HG2 GLU 30 2HG GLU 30 7.787 10.668 8.322 206 HG3 GLU 30 3HG GLU 30 7.445 11.679 9.725 207 H ALA 31 H ALA 31 8.760 13.891 5.640 208 HA ALA 31 HA ALA 31 11.088 12.208 6.264 209 HB1 ALA 31 1HB ALA 31 10.043 13.079 3.572 210 HB2 ALA 31 2HB ALA 31 11.383 11.969 3.864 211 HB3 ALA 31 3HB ALA 31 9.744 11.515 4.333 212 H GLY 32 H GLY 32 10.136 15.363 4.993 213 HA2 GLY 32 2HA GLY 32 12.128 16.881 6.026 214 HA3 GLY 32 3HA GLY 32 12.868 16.205 4.582 215 H LEU 33 H LEU 33 10.109 16.215 3.305 216 HA LEU 33 HA LEU 33 10.381 18.664 1.932 217 HB2 LEU 33 2HB LEU 33 8.311 16.516 2.021 218 HB3 LEU 33 3HB LEU 33 7.954 18.030 1.193 219 HG LEU 33 HG LEU 33 8.701 16.291 -0.357 220 HD11 LEU 33 1HD1 LEU 33 11.044 17.954 -0.588 221 HD12 LEU 33 2HD1 LEU 33 9.620 18.914 -0.187 222 HD13 LEU 33 3HD1 LEU 33 9.611 17.878 -1.614 223 HD21 LEU 33 3HD2 LEU 33 10.829 15.294 -0.268 224 HD22 LEU 33 1HD2 LEU 33 10.199 15.188 1.376 225 HD23 LEU 33 2HD2 LEU 33 11.396 16.418 0.968 226 H ASP 34 H ASP 34 10.092 20.563 2.913 227 HA ASP 34 HA ASP 34 7.905 20.871 4.837 228 HB2 ASP 34 2HB ASP 34 10.367 22.499 4.235 229 HB3 ASP 34 3HB ASP 34 9.050 23.142 5.212 230 H LEU 35 H LEU 35 6.865 20.595 2.404 231 HA LEU 35 HA LEU 35 6.652 22.752 0.701 232 HB2 LEU 35 2HB LEU 35 4.853 20.507 1.442 233 HB3 LEU 35 3HB LEU 35 4.176 21.828 0.493 234 HG LEU 35 HG LEU 35 5.474 21.332 -1.363 235 HD11 LEU 35 1HD1 LEU 35 7.318 19.978 0.572 236 HD12 LEU 35 2HD1 LEU 35 7.658 21.288 -0.558 237 HD13 LEU 35 3HD1 LEU 35 7.401 19.649 -1.159 238 HD21 LEU 35 3HD2 LEU 35 4.887 19.177 -1.905 239 HD22 LEU 35 1HD2 LEU 35 3.829 19.475 -0.526 240 HD23 LEU 35 2HD2 LEU 35 5.312 18.544 -0.314 241 HA PRO 36 HA PRO 36 4.408 25.941 2.710 242 HB2 PRO 36 2HB PRO 36 2.763 26.831 0.743 243 HB3 PRO 36 3HB PRO 36 4.506 27.123 0.742 244 HG2 PRO 36 2HG PRO 36 2.932 25.048 -0.734 245 HG3 PRO 36 3HG PRO 36 4.272 26.056 -1.310 246 HD2 PRO 36 2HD PRO 36 4.607 23.476 -0.558 247 HD3 PRO 36 3HD PRO 36 5.869 24.705 -0.341 248 H TYR 37 H TYR 37 3.298 24.498 4.192 249 HA TYR 37 HA TYR 37 0.454 24.137 3.506 250 HB2 TYR 37 2HB TYR 37 0.372 22.140 4.747 251 HB3 TYR 37 3HB TYR 37 1.885 22.034 3.853 252 HD1 TYR 37 HD2 TYR 37 0.375 22.510 7.164 253 HD2 TYR 37 HD1 TYR 37 4.012 22.114 4.993 254 HE1 TYR 37 HE2 TYR 37 1.588 22.148 9.273 255 HE2 TYR 37 HE1 TYR 37 5.235 21.750 7.096 256 HH TYR 37 HH TYR 37 4.874 22.367 9.566 257 H SER 38 H SER 38 -1.063 24.360 5.261 258 HA SER 38 HA SER 38 -0.093 25.762 7.635 259 HB2 SER 38 2HB SER 38 -0.792 27.374 5.709 260 HB3 SER 38 3HB SER 38 -2.437 26.913 6.148 261 HG SER 38 HG SER 38 -0.557 28.400 7.573 262 H CYS 39 H CYS 39 -2.847 24.365 5.908 263 HA CYS 39 HA CYS 39 -4.271 23.933 8.414 264 HB2 CYS 39 2HB CYS 39 -6.151 23.299 7.073 265 HB3 CYS 39 3HB CYS 39 -5.445 24.735 6.339 266 H ARG 40 H ARG 40 -2.592 22.133 5.912 267 HA ARG 40 HA ARG 40 -2.207 19.878 5.651 268 HB2 ARG 40 2HB ARG 40 -0.966 18.939 7.536 269 HB3 ARG 40 3HB ARG 40 -0.480 20.602 7.232 270 HG2 ARG 40 2HG ARG 40 -1.800 21.372 9.100 271 HG3 ARG 40 3HG ARG 40 -2.417 19.740 9.370 272 HD2 ARG 40 2HD ARG 40 -0.526 19.056 10.391 273 HD3 ARG 40 3HD ARG 40 0.513 19.985 9.311 274 HE ARG 40 HE ARG 40 0.464 21.731 10.804 275 HH11 ARG 40 1HH1 ARG 40 -1.957 19.383 11.666 276 HH12 ARG 40 2HH1 ARG 40 -2.308 20.115 13.197 277 HH21 ARG 40 1HH2 ARG 40 0.011 22.704 12.817 278 HH22 ARG 40 2HH2 ARG 40 -1.189 22.004 13.850 279 H ALA 41 H ALA 41 -4.931 20.286 5.993 280 HA ALA 41 HA ALA 41 -5.691 17.734 7.152 281 HB1 ALA 41 1HB ALA 41 -6.299 20.298 8.414 282 HB2 ALA 41 2HB ALA 41 -7.715 19.280 8.146 283 HB3 ALA 41 3HB ALA 41 -6.350 18.664 9.077 284 H GLY 42 H GLY 42 -6.607 20.656 5.403 285 HA2 GLY 42 2HA GLY 42 -7.550 20.068 3.131 286 HA3 GLY 42 3HA GLY 42 -8.707 19.098 4.030 287 H ALA 43 H ALA 43 -7.521 22.423 3.666 288 HA ALA 43 HA ALA 43 -10.076 23.531 3.346 289 HB1 ALA 43 1HB ALA 43 -9.011 23.520 6.144 290 HB2 ALA 43 2HB ALA 43 -10.051 24.828 5.579 291 HB3 ALA 43 3HB ALA 43 -10.640 23.165 5.568 292 H CYS 44 H CYS 44 -7.483 23.742 2.194 293 HA CYS 44 HA CYS 44 -7.245 26.610 2.131 294 HB2 CYS 44 2HB CYS 44 -5.166 26.903 3.061 295 HB3 CYS 44 3HB CYS 44 -5.751 25.578 4.062 296 H SER 45 H SER 45 -5.166 27.124 0.681 297 HA SER 45 HA SER 45 -4.965 25.135 -1.464 298 HB2 SER 45 2HB SER 45 -5.266 26.948 -3.155 299 HB3 SER 45 3HB SER 45 -6.718 26.636 -2.203 300 HG SER 45 HG SER 45 -5.893 28.431 -0.832 301 H THR 46 H THR 46 -3.324 26.685 0.736 302 HA THR 46 HA THR 46 -1.234 27.932 -0.791 303 HB THR 46 HB THR 46 -1.876 28.538 1.596 304 HG1 THR 46 HG1 THR 46 0.882 27.932 1.257 305 HG21 THR 46 3HG2 THR 46 -1.482 27.156 3.329 306 HG22 THR 46 1HG2 THR 46 0.037 26.576 2.648 307 HG23 THR 46 2HG2 THR 46 -1.493 25.887 2.104 308 H CYS 47 H CYS 47 -1.940 24.744 0.304 309 HA CYS 47 HA CYS 47 0.814 23.862 -0.183 310 HB2 CYS 47 2HB CYS 47 0.070 21.717 0.824 311 HB3 CYS 47 3HB CYS 47 -0.132 23.088 1.909 312 H ALA 48 H ALA 48 -2.119 24.148 -1.763 313 HA ALA 48 HA ALA 48 -2.463 21.845 -3.227 314 HB1 ALA 48 1HB ALA 48 -3.915 23.042 -4.460 315 HB2 ALA 48 2HB ALA 48 -3.615 24.289 -3.250 316 HB3 ALA 48 3HB ALA 48 -2.747 24.324 -4.785 317 H GLY 49 H GLY 49 -1.688 21.052 -5.189 318 HA2 GLY 49 2HA GLY 49 0.702 22.373 -6.290 319 HA3 GLY 49 3HA GLY 49 0.779 20.679 -5.832 320 H LYS 50 H LYS 50 0.760 22.436 -8.442 321 HA LYS 50 HA LYS 50 -1.414 21.419 -9.972 322 HB2 LYS 50 2HB LYS 50 -0.207 23.507 -10.533 323 HB3 LYS 50 3HB LYS 50 1.220 22.557 -10.927 324 HG2 LYS 50 2HG LYS 50 0.071 21.499 -12.757 325 HG3 LYS 50 3HG LYS 50 -1.438 22.302 -12.318 326 HD2 LYS 50 2HD LYS 50 -0.874 24.110 -13.486 327 HD3 LYS 50 3HD LYS 50 0.662 24.240 -12.627 328 HE2 LYS 50 2HE LYS 50 0.093 22.541 -15.054 329 HE3 LYS 50 3HE LYS 50 1.049 24.022 -15.011 330 HZ1 LYS 50 3HZ LYS 50 1.749 21.333 -14.128 331 HZ2 LYS 50 1HZ LYS 50 2.342 22.615 -13.198 332 HZ3 LYS 50 2HZ LYS 50 2.714 22.523 -14.845 333 H ILE 51 H ILE 51 -1.645 19.334 -10.434 334 HA ILE 51 HA ILE 51 0.761 17.741 -11.019 335 HB ILE 51 HB ILE 51 -1.227 17.185 -9.221 336 HG12 ILE 51 2HG1 ILE 51 0.946 16.131 -9.222 337 HG13 ILE 51 3HG1 ILE 51 -0.284 14.872 -9.238 338 HG21 ILE 51 1HG2 ILE 51 -1.787 15.497 -11.654 339 HG22 ILE 51 2HG2 ILE 51 -2.585 15.400 -10.085 340 HG23 ILE 51 3HG2 ILE 51 -2.807 16.825 -11.100 341 HD11 ILE 51 3HD1 ILE 51 1.618 15.694 -11.371 342 HD12 ILE 51 1HD1 ILE 51 1.200 14.083 -10.789 343 HD13 ILE 51 2HD1 ILE 51 0.075 14.968 -11.820 344 H THR 52 H THR 52 0.959 16.671 -12.922 345 HA THR 52 HA THR 52 -1.297 16.775 -14.806 346 HB THR 52 HB THR 52 0.068 18.548 -15.576 347 HG1 THR 52 HG1 THR 52 -0.432 17.385 -17.357 348 HG21 THR 52 3HG2 THR 52 2.451 16.705 -15.354 349 HG22 THR 52 1HG2 THR 52 2.066 18.011 -14.233 350 HG23 THR 52 2HG2 THR 52 2.472 18.379 -15.910 351 H ALA 53 H ALA 53 1.786 15.296 -13.924 352 HA ALA 53 HA ALA 53 1.073 12.935 -15.529 353 HB1 ALA 53 1HB ALA 53 3.293 12.490 -15.854 354 HB2 ALA 53 2HB ALA 53 3.344 14.250 -15.735 355 HB3 ALA 53 3HB ALA 53 3.783 13.258 -14.344 356 H GLY 54 H GLY 54 -0.407 12.153 -13.930 357 HA2 GLY 54 2HA GLY 54 0.478 10.153 -12.301 358 HA3 GLY 54 3HA GLY 54 0.509 11.573 -11.267 359 H SER 55 H SER 55 -1.102 10.813 -9.900 360 HA SER 55 HA SER 55 -3.745 11.486 -10.583 361 HB2 SER 55 2HB SER 55 -4.369 8.854 -10.084 362 HB3 SER 55 3HB SER 55 -4.359 9.609 -11.678 363 HG SER 55 HG SER 55 -3.071 7.599 -11.338 364 H VAL 56 H VAL 56 -4.709 12.045 -8.746 365 HA VAL 56 HA VAL 56 -4.059 10.594 -6.280 366 HB VAL 56 HB VAL 56 -3.927 12.718 -5.025 367 HG11 VAL 56 1HG1 VAL 56 -1.724 12.550 -5.244 368 HG12 VAL 56 2HG1 VAL 56 -1.976 11.563 -6.686 369 HG13 VAL 56 3HG1 VAL 56 -1.785 13.311 -6.834 370 HG21 VAL 56 3HG2 VAL 56 -4.847 14.491 -6.045 371 HG22 VAL 56 1HG2 VAL 56 -3.284 14.647 -6.849 372 HG23 VAL 56 2HG2 VAL 56 -4.611 13.808 -7.654 373 H ASP 57 H ASP 57 -5.676 10.607 -4.703 374 HA ASP 57 HA ASP 57 -8.320 11.391 -5.712 375 HB2 ASP 57 2HB ASP 57 -7.357 9.042 -4.444 376 HB3 ASP 57 3HB ASP 57 -8.481 9.812 -3.328 377 H GLN 58 H GLN 58 -9.170 13.192 -4.931 378 HA GLN 58 HA GLN 58 -8.601 13.925 -2.138 379 HB2 GLN 58 2HB GLN 58 -8.857 16.350 -3.029 380 HB3 GLN 58 3HB GLN 58 -7.329 15.511 -3.262 381 HG2 GLN 58 2HG GLN 58 -7.558 15.423 -5.500 382 HG3 GLN 58 3HG GLN 58 -9.307 15.215 -5.424 383 HE21 GLN 58 1HE2 GLN 58 -6.716 17.417 -5.776 384 HE22 GLN 58 2HE2 GLN 58 -7.660 18.850 -5.974 385 H SER 59 H SER 59 -10.670 12.687 -1.923 386 HA SER 59 HA SER 59 -13.031 14.209 -2.752 387 HB2 SER 59 2HB SER 59 -12.614 11.397 -1.768 388 HB3 SER 59 3HB SER 59 -14.217 12.131 -1.751 389 HG SER 59 HG SER 59 -12.658 11.306 -3.891 390 H ASP 60 H ASP 60 -11.028 14.676 -0.423 391 HA ASP 60 HA ASP 60 -13.070 14.954 1.685 392 HB2 ASP 60 2HB ASP 60 -10.330 13.951 1.755 393 HB3 ASP 60 3HB ASP 60 -10.614 15.221 2.943 394 H GLN 61 H GLN 61 -10.840 16.556 -0.358 395 HA GLN 61 HA GLN 61 -10.247 18.863 1.079 396 HB2 GLN 61 2HB GLN 61 -9.991 19.949 -1.157 397 HB3 GLN 61 3HB GLN 61 -9.130 18.424 -0.998 398 HG2 GLN 61 2HG GLN 61 -10.092 18.334 -3.114 399 HG3 GLN 61 3HG GLN 61 -11.155 17.354 -2.106 400 HE21 GLN 61 1HE2 GLN 61 -10.848 20.845 -2.660 401 HE22 GLN 61 2HE2 GLN 61 -12.499 21.092 -3.106 402 H SER 62 H SER 62 -11.110 21.105 0.129 403 HA SER 62 HA SER 62 -13.999 21.102 -0.192 404 HB2 SER 62 2HB SER 62 -13.761 23.032 1.746 405 HB3 SER 62 3HB SER 62 -14.340 21.390 2.023 406 HG SER 62 HG SER 62 -12.273 20.797 2.650 407 H PHE 63 H PHE 63 -11.021 22.972 0.152 408 HA PHE 63 HA PHE 63 -11.834 25.447 -0.725 409 HB2 PHE 63 2HB PHE 63 -9.538 24.847 0.067 410 HB3 PHE 63 3HB PHE 63 -9.235 24.110 -1.503 411 HD1 PHE 63 HD2 PHE 63 -9.432 25.602 -3.564 412 HD2 PHE 63 HD1 PHE 63 -9.158 27.113 0.406 413 HE1 PHE 63 HE2 PHE 63 -8.708 27.781 -4.447 414 HE2 PHE 63 HE1 PHE 63 -8.434 29.295 -0.471 415 HZ PHE 63 HZ PHE 63 -8.207 29.631 -2.900 416 H LEU 64 H LEU 64 -10.559 22.831 -2.788 417 HA LEU 64 HA LEU 64 -11.278 24.197 -5.202 418 HB2 LEU 64 2HB LEU 64 -10.685 21.269 -5.051 419 HB3 LEU 64 3HB LEU 64 -10.323 22.411 -6.344 420 HG LEU 64 HG LEU 64 -8.928 22.313 -3.669 421 HD11 LEU 64 1HD1 LEU 64 -8.053 20.457 -4.647 422 HD12 LEU 64 2HD1 LEU 64 -7.020 21.673 -5.398 423 HD13 LEU 64 3HD1 LEU 64 -8.397 21.018 -6.284 424 HD21 LEU 64 3HD2 LEU 64 -9.166 24.486 -5.201 425 HD22 LEU 64 1HD2 LEU 64 -7.804 23.719 -6.019 426 HD23 LEU 64 2HD2 LEU 64 -7.696 24.108 -4.302 427 H ASP 65 H ASP 65 -12.613 23.000 -6.891 428 HA ASP 65 HA ASP 65 -14.899 21.601 -5.701 429 HB2 ASP 65 2HB ASP 65 -15.055 24.038 -7.482 430 HB3 ASP 65 3HB ASP 65 -16.426 22.984 -7.150 431 H ASP 66 H ASP 66 -14.247 22.918 -8.937 432 HA ASP 66 HA ASP 66 -13.915 20.210 -9.980 433 HB2 ASP 66 2HB ASP 66 -16.330 20.705 -10.153 434 HB3 ASP 66 3HB ASP 66 -15.955 22.151 -11.087 435 H ASP 67 H ASP 67 -13.997 23.677 -10.721 436 HA ASP 67 HA ASP 67 -12.494 23.511 -13.109 437 HB2 ASP 67 2HB ASP 67 -13.918 25.478 -11.978 438 HB3 ASP 67 3HB ASP 67 -12.312 25.973 -11.452 439 H GLN 68 H GLN 68 -11.579 24.081 -9.739 440 HA GLN 68 HA GLN 68 -8.881 24.678 -10.144 441 HB2 GLN 68 2HB GLN 68 -10.508 23.669 -7.871 442 HB3 GLN 68 3HB GLN 68 -8.764 23.476 -7.754 443 HG2 GLN 68 2HG GLN 68 -9.802 25.573 -6.748 444 HG3 GLN 68 3HG GLN 68 -8.383 25.769 -7.776 445 HE21 GLN 68 1HE2 GLN 68 -8.502 27.151 -9.407 446 HE22 GLN 68 2HE2 GLN 68 -9.952 27.868 -10.014 447 H ILE 69 H ILE 69 -10.349 21.537 -9.306 448 HA ILE 69 HA ILE 69 -7.982 20.040 -9.517 449 HB ILE 69 HB ILE 69 -10.832 19.119 -9.915 450 HG12 ILE 69 2HG1 ILE 69 -9.329 18.528 -7.431 451 HG13 ILE 69 3HG1 ILE 69 -9.810 20.206 -7.663 452 HG21 ILE 69 1HG2 ILE 69 -9.315 17.507 -10.853 453 HG22 ILE 69 2HG2 ILE 69 -8.303 17.561 -9.411 454 HG23 ILE 69 3HG2 ILE 69 -9.930 16.886 -9.321 455 HD11 ILE 69 3HD1 ILE 69 -11.452 18.983 -6.361 456 HD12 ILE 69 1HD1 ILE 69 -12.132 19.510 -7.901 457 HD13 ILE 69 2HD1 ILE 69 -11.651 17.827 -7.678 458 H GLU 70 H GLU 70 -10.379 20.988 -11.903 459 HA GLU 70 HA GLU 70 -9.778 19.292 -13.994 460 HB2 GLU 70 2HB GLU 70 -11.221 21.697 -13.652 461 HB3 GLU 70 3HB GLU 70 -10.147 21.949 -15.021 462 HG2 GLU 70 2HG GLU 70 -12.401 21.085 -15.614 463 HG3 GLU 70 3HG GLU 70 -11.061 20.093 -16.187 464 H ALA 71 H ALA 71 -8.191 22.350 -13.139 465 HA ALA 71 HA ALA 71 -6.358 22.381 -15.275 466 HB1 ALA 71 1HB ALA 71 -6.345 23.672 -12.563 467 HB2 ALA 71 2HB ALA 71 -5.034 23.902 -13.720 468 HB3 ALA 71 3HB ALA 71 -6.672 24.408 -14.132 469 H GLY 72 H GLY 72 -6.270 20.862 -12.105 470 HA2 GLY 72 2HA GLY 72 -4.913 18.729 -12.194 471 HA3 GLY 72 3HA GLY 72 -3.611 19.762 -12.765 472 H TYR 73 H TYR 73 -5.024 21.754 -10.730 473 HA TYR 73 HA TYR 73 -3.075 21.512 -8.721 474 HB2 TYR 73 2HB TYR 73 -5.732 22.937 -8.501 475 HB3 TYR 73 3HB TYR 73 -4.281 23.257 -7.558 476 HD1 TYR 73 HD1 TYR 73 -2.140 23.805 -9.075 477 HD2 TYR 73 HD2 TYR 73 -6.191 24.363 -10.251 478 HE1 TYR 73 HE1 TYR 73 -1.422 25.469 -10.738 479 HE2 TYR 73 HE2 TYR 73 -5.483 26.026 -11.919 480 HH TYR 73 HH TYR 73 -3.557 26.700 -13.146 481 H VAL 74 H VAL 74 -2.938 20.183 -7.048 482 HA VAL 74 HA VAL 74 -5.412 19.030 -5.942 483 HB VAL 74 HB VAL 74 -4.265 16.904 -5.571 484 HG11 VAL 74 1HG1 VAL 74 -5.540 16.964 -7.552 485 HG12 VAL 74 2HG1 VAL 74 -4.331 17.936 -8.394 486 HG13 VAL 74 3HG1 VAL 74 -3.994 16.248 -8.007 487 HG21 VAL 74 3HG2 VAL 74 -2.039 16.899 -5.502 488 HG22 VAL 74 1HG2 VAL 74 -2.060 16.984 -7.264 489 HG23 VAL 74 2HG2 VAL 74 -1.946 18.464 -6.311 490 H LEU 75 H LEU 75 -5.600 19.146 -3.788 491 HA LEU 75 HA LEU 75 -3.682 20.599 -2.268 492 HB2 LEU 75 2HB LEU 75 -6.190 19.115 -1.530 493 HB3 LEU 75 3HB LEU 75 -5.194 19.947 -0.338 494 HG LEU 75 HG LEU 75 -6.715 21.186 -2.627 495 HD11 LEU 75 1HD1 LEU 75 -7.815 22.403 -0.731 496 HD12 LEU 75 2HD1 LEU 75 -7.006 21.285 0.367 497 HD13 LEU 75 3HD1 LEU 75 -8.165 20.676 -0.815 498 HD21 LEU 75 3HD2 LEU 75 -5.887 23.335 -1.775 499 HD22 LEU 75 1HD2 LEU 75 -4.579 22.315 -2.377 500 HD23 LEU 75 2HD2 LEU 75 -4.845 22.475 -0.640 501 H THR 76 H THR 76 -1.808 19.752 -1.652 502 HA THR 76 HA THR 76 -1.256 16.999 -1.463 503 HB THR 76 HB THR 76 0.855 17.649 -0.399 504 HG1 THR 76 HG1 THR 76 1.213 19.836 0.115 505 HG21 THR 76 3HG2 THR 76 -0.110 18.593 -2.923 506 HG22 THR 76 1HG2 THR 76 1.518 18.081 -2.481 507 HG23 THR 76 2HG2 THR 76 1.033 19.762 -2.262 508 H CYS 77 H CYS 77 -2.737 19.176 0.730 509 HA CYS 77 HA CYS 77 -2.115 17.672 3.111 510 HB2 CYS 77 2HB CYS 77 -3.505 19.258 4.271 511 HB3 CYS 77 3HB CYS 77 -2.515 20.143 3.115 512 H VAL 78 H VAL 78 -4.209 17.232 0.558 513 HA VAL 78 HA VAL 78 -5.665 15.184 2.000 514 HB VAL 78 HB VAL 78 -7.874 16.024 1.057 515 HG11 VAL 78 1HG1 VAL 78 -8.371 17.237 3.009 516 HG12 VAL 78 2HG1 VAL 78 -7.068 16.139 3.470 517 HG13 VAL 78 3HG1 VAL 78 -6.720 17.839 3.154 518 HG21 VAL 78 3HG2 VAL 78 -6.241 18.545 0.791 519 HG22 VAL 78 1HG2 VAL 78 -7.081 17.674 -0.492 520 HG23 VAL 78 2HG2 VAL 78 -8.004 18.497 0.766 521 H ALA 79 H ALA 79 -3.802 14.758 0.099 522 HA ALA 79 HA ALA 79 -5.389 14.007 -2.270 523 HB1 ALA 79 1HB ALA 79 -3.906 15.614 -3.080 524 HB2 ALA 79 2HB ALA 79 -2.576 15.027 -2.080 525 HB3 ALA 79 3HB ALA 79 -3.120 14.083 -3.466 526 H TYR 80 H TYR 80 -5.330 11.922 -2.907 527 HA TYR 80 HA TYR 80 -3.591 10.105 -1.373 528 HB2 TYR 80 2HB TYR 80 -6.297 9.588 -2.621 529 HB3 TYR 80 3HB TYR 80 -5.307 8.363 -1.837 530 HD1 TYR 80 HD1 TYR 80 -4.425 9.316 0.609 531 HD2 TYR 80 HD2 TYR 80 -8.073 10.296 -1.348 532 HE1 TYR 80 HE1 TYR 80 -5.429 9.889 2.781 533 HE2 TYR 80 HE2 TYR 80 -9.087 10.873 0.818 534 HH TYR 80 HH TYR 80 -8.808 10.961 3.016 535 HA PRO 81 HA PRO 81 -2.011 9.827 -5.675 536 HB2 PRO 81 2HB PRO 81 0.553 9.349 -4.919 537 HB3 PRO 81 3HB PRO 81 -0.124 10.977 -5.045 538 HG2 PRO 81 2HG PRO 81 0.265 9.270 -2.617 539 HG3 PRO 81 3HG PRO 81 0.582 11.002 -2.829 540 HD2 PRO 81 2HD PRO 81 -1.642 10.068 -1.600 541 HD3 PRO 81 3HD PRO 81 -1.633 11.571 -2.546 542 H THR 82 H THR 82 -3.311 7.840 -5.723 543 HA THR 82 HA THR 82 -2.512 5.411 -4.584 544 HB THR 82 HB THR 82 -4.739 5.686 -5.523 545 HG1 THR 82 HG1 THR 82 -4.851 3.661 -6.388 546 HG21 THR 82 3HG2 THR 82 -3.331 6.713 -7.757 547 HG22 THR 82 1HG2 THR 82 -5.075 6.621 -7.516 548 HG23 THR 82 2HG2 THR 82 -4.222 5.292 -8.301 549 H SER 83 H SER 83 -1.189 7.187 -7.191 550 HA SER 83 HA SER 83 0.737 5.049 -7.677 551 HB2 SER 83 2HB SER 83 0.230 4.684 -9.851 552 HB3 SER 83 3HB SER 83 -1.342 5.366 -9.434 553 HG SER 83 HG SER 83 0.151 6.271 -11.264 554 H ASP 84 H ASP 84 2.553 5.875 -9.123 555 HA ASP 84 HA ASP 84 3.823 8.023 -7.952 556 HB2 ASP 84 2HB ASP 84 5.215 6.610 -9.182 557 HB3 ASP 84 3HB ASP 84 4.171 6.656 -10.600 558 H CYS 85 H CYS 85 3.978 10.187 -8.328 559 HA CYS 85 HA CYS 85 2.717 11.392 -10.633 560 HB2 CYS 85 2HB CYS 85 1.293 12.895 -9.192 561 HB3 CYS 85 3HB CYS 85 0.765 11.218 -9.269 562 HG CYS 85 HG CYS 85 0.344 12.105 -6.674 563 H THR 86 H THR 86 3.270 13.598 -10.917 564 HA THR 86 HA THR 86 5.570 14.439 -9.279 565 HB THR 86 HB THR 86 4.942 15.177 -12.145 566 HG1 THR 86 HG1 THR 86 5.882 13.310 -12.487 567 HG21 THR 86 3HG2 THR 86 6.729 16.317 -10.171 568 HG22 THR 86 1HG2 THR 86 6.312 16.903 -11.781 569 HG23 THR 86 2HG2 THR 86 7.610 15.727 -11.580 570 H ILE 87 H ILE 87 3.944 15.356 -7.791 571 HA ILE 87 HA ILE 87 2.248 17.485 -8.581 572 HB ILE 87 HB ILE 87 3.356 16.902 -5.832 573 HG12 ILE 87 2HG1 ILE 87 0.623 16.143 -6.147 574 HG13 ILE 87 3HG1 ILE 87 1.546 15.421 -7.460 575 HG21 ILE 87 1HG2 ILE 87 1.483 18.895 -6.883 576 HG22 ILE 87 2HG2 ILE 87 0.896 18.007 -5.477 577 HG23 ILE 87 3HG2 ILE 87 2.419 18.892 -5.388 578 HD11 ILE 87 3HD1 ILE 87 2.948 14.263 -5.959 579 HD12 ILE 87 1HD1 ILE 87 2.358 15.190 -4.580 580 HD13 ILE 87 2HD1 ILE 87 1.298 14.031 -5.383 581 H GLU 88 H GLU 88 2.611 19.610 -8.802 582 HA GLU 88 HA GLU 88 5.351 20.563 -8.407 583 HB2 GLU 88 2HB GLU 88 3.054 21.445 -10.112 584 HB3 GLU 88 3HB GLU 88 4.311 22.601 -9.696 585 HG2 GLU 88 2HG GLU 88 5.376 20.071 -10.650 586 HG3 GLU 88 3HG GLU 88 4.339 20.874 -11.827 587 H THR 89 H THR 89 5.646 21.295 -6.391 588 HA THR 89 HA THR 89 3.621 22.451 -4.783 589 HB THR 89 HB THR 89 5.275 22.823 -3.146 590 HG1 THR 89 HG1 THR 89 7.028 22.974 -5.356 591 HG21 THR 89 3HG2 THR 89 6.357 20.511 -4.753 592 HG22 THR 89 1HG2 THR 89 4.898 20.425 -3.767 593 HG23 THR 89 2HG2 THR 89 6.458 20.743 -3.008 594 H HIS 90 H HIS 90 4.047 24.676 -3.721 595 HA HIS 90 HA HIS 90 3.964 26.940 -3.936 596 HB2 HIS 90 2HB HIS 90 6.151 26.341 -5.933 597 HB3 HIS 90 3HB HIS 90 5.700 27.972 -5.448 598 HD1 HIS 90 HD1 HIS 90 6.327 24.856 -3.349 599 HD2 HIS 90 HD2 HIS 90 7.646 28.775 -3.757 600 HE1 HIS 90 HE1 HIS 90 7.995 25.200 -1.499 601 H LYS 91 H LYS 91 2.309 25.168 -5.687 602 HA LYS 91 HA LYS 91 1.832 26.993 -7.941 603 HB2 LYS 91 2HB LYS 91 1.254 24.086 -7.489 604 HB3 LYS 91 3HB LYS 91 0.310 24.995 -8.663 605 HG2 LYS 91 2HG LYS 91 3.309 24.716 -8.688 606 HG3 LYS 91 3HG LYS 91 2.184 23.795 -9.689 607 HD2 LYS 91 2HD LYS 91 1.339 26.149 -10.420 608 HD3 LYS 91 3HD LYS 91 2.906 26.695 -9.819 609 HE2 LYS 91 2HE LYS 91 3.404 24.412 -11.384 610 HE3 LYS 91 3HE LYS 91 2.259 25.396 -12.294 611 HZ1 LYS 91 3HZ LYS 91 4.011 26.581 -12.924 612 HZ2 LYS 91 1HZ LYS 91 5.032 25.846 -11.793 613 HZ3 LYS 91 2HZ LYS 91 4.097 27.182 -11.345 614 H GLU 92 H GLU 92 0.960 28.194 -5.810 615 HA GLU 92 HA GLU 92 -1.926 27.614 -5.657 616 HB2 GLU 92 2HB GLU 92 -1.866 28.783 -3.451 617 HB3 GLU 92 3HB GLU 92 -0.942 27.288 -3.494 618 HG2 GLU 92 2HG GLU 92 0.384 29.924 -3.977 619 HG3 GLU 92 3HG GLU 92 0.073 29.347 -2.341 620 H GLU 93 H GLU 93 0.526 29.971 -6.301 621 HA GLU 93 HA GLU 93 -0.877 32.352 -6.066 622 HB2 GLU 93 2HB GLU 93 0.754 33.328 -7.481 623 HB3 GLU 93 3HB GLU 93 1.579 32.045 -6.607 624 HG2 GLU 93 2HG GLU 93 1.334 30.579 -8.561 625 HG3 GLU 93 3HG GLU 93 0.563 31.902 -9.436 626 H ASP 94 H ASP 94 -1.150 29.838 -8.434 627 HA ASP 94 HA ASP 94 -2.338 31.249 -10.540 628 HB2 ASP 94 2HB ASP 94 -2.212 28.417 -9.680 629 HB3 ASP 94 3HB ASP 94 -3.530 28.838 -10.770 630 H LEU 95 H LEU 95 -3.578 30.286 -7.466 631 HA LEU 95 HA LEU 95 -6.348 30.683 -8.264 632 HB2 LEU 95 2HB LEU 95 -5.180 30.063 -5.555 633 HB3 LEU 95 3HB LEU 95 -6.891 30.047 -5.977 634 HG LEU 95 HG LEU 95 -4.762 28.140 -6.937 635 HD11 LEU 95 1HD1 LEU 95 -6.133 28.099 -4.601 636 HD12 LEU 95 2HD1 LEU 95 -5.537 26.665 -5.435 637 HD13 LEU 95 3HD1 LEU 95 -7.213 27.174 -5.644 638 HD21 LEU 95 3HD2 LEU 95 -7.596 28.563 -7.822 639 HD22 LEU 95 1HD2 LEU 95 -6.813 26.989 -7.960 640 HD23 LEU 95 2HD2 LEU 95 -6.141 28.385 -8.804 641 H TYR 96 H TYR 96 -3.805 32.307 -6.496 642 HA TYR 96 HA TYR 96 -5.315 34.776 -6.575 643 HB2 TYR 96 2HB TYR 96 -4.669 35.097 -4.048 644 HB3 TYR 96 3HB TYR 96 -6.145 34.243 -4.486 645 HD1 TYR 96 HD2 TYR 96 -2.581 33.127 -4.409 646 HD2 TYR 96 HD1 TYR 96 -6.518 32.621 -2.876 647 HE1 TYR 96 HE2 TYR 96 -1.823 31.172 -3.124 648 HE2 TYR 96 HE1 TYR 96 -5.770 30.665 -1.586 649 HH TYR 96 HH TYR 96 -2.380 29.755 -1.428 Start of MODEL 9 1 H1 ALA 1 H ALA 1 1.828 -0.912 -2.740 2 HA ALA 1 HA ALA 1 0.393 1.267 -3.445 3 HB1 ALA 1 1HB ALA 1 -1.025 1.894 -1.849 4 HB2 ALA 1 2HB ALA 1 -0.786 0.299 -1.132 5 HB3 ALA 1 3HB ALA 1 0.184 1.667 -0.584 6 H SER 2 H SER 2 1.106 3.262 -1.672 7 HA SER 2 HA SER 2 2.852 4.574 -1.033 8 HB2 SER 2 2HB SER 2 3.287 2.584 0.483 9 HB3 SER 2 3HB SER 2 4.464 2.038 -0.711 10 HG SER 2 HG SER 2 5.207 3.422 1.128 11 H TYR 3 H TYR 3 2.649 4.928 -3.493 12 HA TYR 3 HA TYR 3 4.861 3.947 -5.069 13 HB2 TYR 3 2HB TYR 3 2.575 5.828 -5.615 14 HB3 TYR 3 3HB TYR 3 3.885 5.613 -6.771 15 HD1 TYR 3 HD2 TYR 3 1.376 3.652 -4.828 16 HD2 TYR 3 HD1 TYR 3 3.742 3.920 -8.354 17 HE1 TYR 3 HE2 TYR 3 0.243 1.665 -5.732 18 HE2 TYR 3 HE1 TYR 3 2.615 1.935 -9.268 19 HH TYR 3 HH TYR 3 1.180 -0.222 -7.764 20 H THR 4 H THR 4 5.792 5.922 -6.546 21 HA THR 4 HA THR 4 7.284 7.538 -4.633 22 HB THR 4 HB THR 4 8.691 6.453 -6.205 23 HG1 THR 4 HG1 THR 4 9.613 8.278 -7.289 24 HG21 THR 4 3HG2 THR 4 7.152 5.851 -7.928 25 HG22 THR 4 1HG2 THR 4 8.408 6.838 -8.674 26 HG23 THR 4 2HG2 THR 4 6.831 7.541 -8.314 27 H VAL 5 H VAL 5 6.971 9.650 -4.329 28 HA VAL 5 HA VAL 5 5.225 11.078 -6.228 29 HB VAL 5 HB VAL 5 5.564 11.548 -3.262 30 HG11 VAL 5 1HG1 VAL 5 5.040 13.662 -3.822 31 HG12 VAL 5 2HG1 VAL 5 4.446 13.201 -5.418 32 HG13 VAL 5 3HG1 VAL 5 3.409 13.017 -4.003 33 HG21 VAL 5 3HG2 VAL 5 4.077 9.862 -3.184 34 HG22 VAL 5 1HG2 VAL 5 2.923 11.099 -3.683 35 HG23 VAL 5 2HG2 VAL 5 3.643 10.029 -4.885 36 H LYS 6 H LYS 6 6.336 12.448 -7.445 37 HA LYS 6 HA LYS 6 8.847 13.567 -6.494 38 HB2 LYS 6 2HB LYS 6 8.559 12.623 -8.815 39 HB3 LYS 6 3HB LYS 6 7.514 13.993 -9.170 40 HG2 LYS 6 2HG LYS 6 9.296 15.532 -8.921 41 HG3 LYS 6 3HG LYS 6 10.350 14.300 -8.223 42 HD2 LYS 6 2HD LYS 6 10.151 13.068 -10.422 43 HD3 LYS 6 3HD LYS 6 9.381 14.519 -11.067 44 HE2 LYS 6 2HE LYS 6 11.323 15.800 -10.811 45 HE3 LYS 6 3HE LYS 6 12.048 14.640 -9.699 46 HZ1 LYS 6 3HZ LYS 6 12.928 14.687 -12.060 47 HZ2 LYS 6 1HZ LYS 6 11.477 13.944 -12.515 48 HZ3 LYS 6 2HZ LYS 6 12.520 13.170 -11.432 49 H LEU 7 H LEU 7 8.647 15.282 -5.195 50 HA LEU 7 HA LEU 7 6.561 17.262 -5.728 51 HB2 LEU 7 2HB LEU 7 8.381 16.768 -3.388 52 HB3 LEU 7 3HB LEU 7 7.394 18.221 -3.526 53 HG LEU 7 HG LEU 7 6.254 15.432 -3.512 54 HD11 LEU 7 1HD1 LEU 7 6.981 17.268 -1.280 55 HD12 LEU 7 2HD1 LEU 7 7.111 15.513 -1.385 56 HD13 LEU 7 3HD1 LEU 7 5.535 16.267 -1.140 57 HD21 LEU 7 3HD2 LEU 7 4.346 16.446 -4.007 58 HD22 LEU 7 1HD2 LEU 7 5.174 18.002 -4.071 59 HD23 LEU 7 2HD2 LEU 7 4.490 17.429 -2.549 60 H ILE 8 H ILE 8 7.281 18.508 -7.393 61 HA ILE 8 HA ILE 8 9.956 19.393 -7.695 62 HB ILE 8 HB ILE 8 7.511 20.722 -8.857 63 HG12 ILE 8 2HG1 ILE 8 7.377 18.340 -9.330 64 HG13 ILE 8 3HG1 ILE 8 7.821 19.208 -10.795 65 HG21 ILE 8 1HG2 ILE 8 9.367 22.070 -9.287 66 HG22 ILE 8 2HG2 ILE 8 10.428 20.686 -9.549 67 HG23 ILE 8 3HG2 ILE 8 9.202 21.098 -10.749 68 HD11 ILE 8 3HD1 ILE 8 9.123 17.213 -10.650 69 HD12 ILE 8 1HD1 ILE 8 10.184 18.593 -10.373 70 HD13 ILE 8 2HD1 ILE 8 9.640 17.611 -9.012 71 H THR 9 H THR 9 11.002 21.099 -6.879 72 HA THR 9 HA THR 9 9.476 23.275 -5.648 73 HB THR 9 HB THR 9 10.625 23.231 -3.596 74 HG1 THR 9 HG1 THR 9 12.607 22.505 -3.455 75 HG21 THR 9 3HG2 THR 9 8.996 21.216 -4.222 76 HG22 THR 9 1HG2 THR 9 9.790 21.329 -2.652 77 HG23 THR 9 2HG2 THR 9 10.458 20.282 -3.905 78 HA PRO 10 HA PRO 10 12.460 25.883 -7.541 79 HB2 PRO 10 2HB PRO 10 12.471 27.984 -5.821 80 HB3 PRO 10 3HB PRO 10 11.127 27.649 -6.920 81 HG2 PRO 10 2HG PRO 10 11.401 27.002 -4.010 82 HG3 PRO 10 3HG PRO 10 9.999 27.643 -4.887 83 HD2 PRO 10 2HD PRO 10 10.225 25.030 -4.213 84 HD3 PRO 10 3HD PRO 10 9.390 25.568 -5.685 85 H ASP 11 H ASP 11 12.991 24.452 -4.521 86 HA ASP 11 HA ASP 11 15.754 25.462 -4.410 87 HB2 ASP 11 2HB ASP 11 13.821 24.574 -2.326 88 HB3 ASP 11 3HB ASP 11 15.528 24.238 -2.049 89 H GLY 12 H GLY 12 14.465 23.201 -6.027 90 HA2 GLY 12 2HA GLY 12 16.207 21.508 -6.749 91 HA3 GLY 12 3HA GLY 12 16.199 21.015 -5.062 92 H GLU 13 H GLU 13 15.724 18.922 -6.257 93 HA GLU 13 HA GLU 13 12.805 18.640 -6.536 94 HB2 GLU 13 2HB GLU 13 15.012 17.399 -8.164 95 HB3 GLU 13 3HB GLU 13 13.406 16.689 -8.096 96 HG2 GLU 13 2HG GLU 13 12.420 18.565 -9.121 97 HG3 GLU 13 3HG GLU 13 13.867 19.544 -8.892 98 H SER 14 H SER 14 11.890 17.232 -5.194 99 HA SER 14 HA SER 14 13.611 15.228 -3.887 100 HB2 SER 14 2HB SER 14 11.432 16.961 -2.738 101 HB3 SER 14 3HB SER 14 11.916 15.456 -1.955 102 HG SER 14 HG SER 14 13.858 16.291 -1.503 103 H SER 15 H SER 15 12.529 13.267 -3.191 104 HA SER 15 HA SER 15 9.997 12.696 -4.552 105 HB2 SER 15 2HB SER 15 12.173 11.959 -5.840 106 HB3 SER 15 3HB SER 15 12.171 10.639 -4.671 107 HG SER 15 HG SER 15 10.524 11.090 -6.817 108 H ILE 16 H ILE 16 8.780 12.383 -2.771 109 HA ILE 16 HA ILE 16 9.785 10.552 -0.701 110 HB ILE 16 HB ILE 16 7.993 11.447 0.734 111 HG12 ILE 16 2HG1 ILE 16 7.514 13.445 -1.484 112 HG13 ILE 16 3HG1 ILE 16 6.471 12.063 -1.168 113 HG21 ILE 16 1HG2 ILE 16 9.818 13.514 -0.484 114 HG22 ILE 16 2HG2 ILE 16 8.963 13.699 1.046 115 HG23 ILE 16 3HG2 ILE 16 10.187 12.442 0.867 116 HD11 ILE 16 3HD1 ILE 16 7.011 14.376 0.677 117 HD12 ILE 16 1HD1 ILE 16 5.515 14.032 -0.191 118 HD13 ILE 16 2HD1 ILE 16 6.056 12.954 1.097 119 H GLU 17 H GLU 17 8.356 8.946 0.168 120 HA GLU 17 HA GLU 17 6.569 7.858 -1.876 121 HB2 GLU 17 2HB GLU 17 8.472 6.692 -0.204 122 HB3 GLU 17 3HB GLU 17 6.929 6.200 0.480 123 HG2 GLU 17 2HG GLU 17 7.670 4.540 -1.080 124 HG3 GLU 17 3HG GLU 17 6.250 5.356 -1.733 125 H CYS 18 H CYS 18 4.420 7.557 -1.582 126 HA CYS 18 HA CYS 18 3.264 8.094 1.053 127 HB2 CYS 18 2HB CYS 18 3.123 10.231 -0.046 128 HB3 CYS 18 3HB CYS 18 2.486 9.492 -1.510 129 HG CYS 18 HG CYS 18 0.219 8.533 0.251 130 H SER 19 H SER 19 1.719 6.684 1.574 131 HA SER 19 HA SER 19 1.003 4.613 -0.276 132 HB2 SER 19 2HB SER 19 1.171 4.778 2.470 133 HB3 SER 19 3HB SER 19 -0.571 4.750 2.194 134 HG SER 19 HG SER 19 1.365 2.811 1.598 135 H ASP 20 H ASP 20 -1.137 4.045 -0.916 136 HA ASP 20 HA ASP 20 -2.641 6.128 -1.982 137 HB2 ASP 20 2HB ASP 20 -3.676 3.369 -1.303 138 HB3 ASP 20 3HB ASP 20 -4.313 4.467 -2.524 139 H ASP 21 H ASP 21 -2.700 4.724 1.177 140 HA ASP 21 HA ASP 21 -5.162 6.196 1.829 141 HB2 ASP 21 2HB ASP 21 -5.030 4.772 3.967 142 HB3 ASP 21 3HB ASP 21 -5.470 3.956 2.469 143 H THR 22 H THR 22 -2.836 7.677 1.505 144 HA THR 22 HA THR 22 -2.575 8.809 4.167 145 HB THR 22 HB THR 22 0.018 8.457 2.750 146 HG1 THR 22 HG1 THR 22 -1.192 6.401 4.316 147 HG21 THR 22 3HG2 THR 22 0.563 8.012 5.302 148 HG22 THR 22 1HG2 THR 22 -0.979 8.836 5.531 149 HG23 THR 22 2HG2 THR 22 0.338 9.648 4.683 150 H TYR 23 H TYR 23 -1.237 10.872 4.074 151 HA TYR 23 HA TYR 23 -1.916 12.289 1.590 152 HB2 TYR 23 2HB TYR 23 -1.247 13.579 4.231 153 HB3 TYR 23 3HB TYR 23 -2.092 14.285 2.857 154 HD1 TYR 23 HD2 TYR 23 -4.389 13.286 2.257 155 HD2 TYR 23 HD1 TYR 23 -2.451 12.627 5.988 156 HE1 TYR 23 HE2 TYR 23 -6.547 12.670 3.263 157 HE2 TYR 23 HE1 TYR 23 -4.604 12.008 7.003 158 HH TYR 23 HH TYR 23 -7.483 11.576 5.087 159 H ILE 24 H ILE 24 -0.381 13.213 0.370 160 HA ILE 24 HA ILE 24 2.289 12.506 0.548 161 HB ILE 24 HB ILE 24 1.162 14.974 -0.781 162 HG12 ILE 24 2HG1 ILE 24 1.794 12.924 -2.635 163 HG13 ILE 24 3HG1 ILE 24 0.847 12.181 -1.351 164 HG21 ILE 24 1HG2 ILE 24 3.578 15.092 -0.513 165 HG22 ILE 24 2HG2 ILE 24 3.750 13.500 -1.251 166 HG23 ILE 24 3HG2 ILE 24 3.150 14.854 -2.207 167 HD11 ILE 24 3HD1 ILE 24 -0.964 13.665 -1.719 168 HD12 ILE 24 1HD1 ILE 24 -0.001 14.670 -2.802 169 HD13 ILE 24 2HD1 ILE 24 -0.467 13.041 -3.292 170 H LEU 25 H LEU 25 0.688 15.448 1.701 171 HA LEU 25 HA LEU 25 2.886 16.932 2.471 172 HB2 LEU 25 2HB LEU 25 0.611 17.787 2.527 173 HB3 LEU 25 3HB LEU 25 0.216 16.693 3.851 174 HG LEU 25 HG LEU 25 1.682 17.909 5.343 175 HD11 LEU 25 1HD1 LEU 25 2.872 19.894 4.659 176 HD12 LEU 25 2HD1 LEU 25 2.266 19.729 3.011 177 HD13 LEU 25 3HD1 LEU 25 3.379 18.528 3.665 178 HD21 LEU 25 3HD2 LEU 25 -0.702 18.689 4.783 179 HD22 LEU 25 1HD2 LEU 25 0.085 20.002 3.908 180 HD23 LEU 25 2HD2 LEU 25 0.360 19.806 5.639 181 H ASP 26 H ASP 26 1.050 14.630 4.481 182 HA ASP 26 HA ASP 26 2.628 14.791 6.767 183 HB2 ASP 26 2HB ASP 26 0.372 13.495 6.218 184 HB3 ASP 26 3HB ASP 26 1.482 12.144 6.007 185 H ALA 27 H ALA 27 3.014 12.812 3.873 186 HA ALA 27 HA ALA 27 5.295 11.399 4.924 187 HB1 ALA 27 1HB ALA 27 5.465 10.538 2.564 188 HB2 ALA 27 2HB ALA 27 3.945 10.196 3.391 189 HB3 ALA 27 3HB ALA 27 4.027 11.491 2.197 190 H ALA 28 H ALA 28 4.901 14.489 3.902 191 HA ALA 28 HA ALA 28 7.520 14.665 2.591 192 HB1 ALA 28 1HB ALA 28 5.200 15.804 1.850 193 HB2 ALA 28 2HB ALA 28 5.866 17.092 2.854 194 HB3 ALA 28 3HB ALA 28 6.784 16.484 1.476 195 H GLU 29 H GLU 29 5.656 16.533 5.000 196 HA GLU 29 HA GLU 29 7.868 17.913 6.042 197 HB2 GLU 29 2HB GLU 29 6.380 18.367 7.997 198 HB3 GLU 29 3HB GLU 29 5.654 18.746 6.441 199 HG2 GLU 29 2HG GLU 29 3.904 17.558 7.091 200 HG3 GLU 29 3HG GLU 29 4.910 16.123 6.901 201 H GLU 30 H GLU 30 6.384 14.844 6.935 202 HA GLU 30 HA GLU 30 7.819 14.432 9.328 203 HB2 GLU 30 2HB GLU 30 5.755 13.187 8.545 204 HB3 GLU 30 3HB GLU 30 6.812 12.269 7.482 205 HG2 GLU 30 2HG GLU 30 6.419 10.989 9.454 206 HG3 GLU 30 3HG GLU 30 8.095 11.536 9.469 207 H ALA 31 H ALA 31 8.691 14.116 6.006 208 HA ALA 31 HA ALA 31 11.036 12.488 6.608 209 HB1 ALA 31 1HB ALA 31 9.594 13.282 4.147 210 HB2 ALA 31 2HB ALA 31 11.329 12.994 4.007 211 HB3 ALA 31 3HB ALA 31 10.270 11.721 4.615 212 H GLY 32 H GLY 32 10.217 15.737 5.454 213 HA2 GLY 32 2HA GLY 32 12.111 17.203 6.672 214 HA3 GLY 32 3HA GLY 32 13.010 16.511 5.329 215 H LEU 33 H LEU 33 10.371 16.588 3.770 216 HA LEU 33 HA LEU 33 10.875 19.057 2.458 217 HB2 LEU 33 2HB LEU 33 8.495 17.225 2.203 218 HB3 LEU 33 3HB LEU 33 8.960 18.491 1.069 219 HG LEU 33 HG LEU 33 10.420 15.912 1.621 220 HD11 LEU 33 1HD1 LEU 33 8.881 16.988 -0.727 221 HD12 LEU 33 2HD1 LEU 33 8.583 15.513 0.192 222 HD13 LEU 33 3HD1 LEU 33 9.999 15.630 -0.852 223 HD21 LEU 33 3HD2 LEU 33 11.999 17.767 1.305 224 HD22 LEU 33 1HD2 LEU 33 11.203 18.173 -0.216 225 HD23 LEU 33 2HD2 LEU 33 12.036 16.628 -0.042 226 H ASP 34 H ASP 34 10.436 20.928 3.440 227 HA ASP 34 HA ASP 34 8.082 21.194 5.130 228 HB2 ASP 34 2HB ASP 34 9.978 23.434 4.489 229 HB3 ASP 34 3HB ASP 34 9.030 23.168 5.950 230 H LEU 35 H LEU 35 7.118 20.713 2.733 231 HA LEU 35 HA LEU 35 6.847 22.718 0.859 232 HB2 LEU 35 2HB LEU 35 5.133 20.453 1.736 233 HB3 LEU 35 3HB LEU 35 4.428 21.659 0.661 234 HG LEU 35 HG LEU 35 5.722 21.025 -1.122 235 HD11 LEU 35 1HD1 LEU 35 7.727 20.071 0.901 236 HD12 LEU 35 2HD1 LEU 35 7.894 21.363 -0.287 237 HD13 LEU 35 3HD1 LEU 35 7.851 19.681 -0.814 238 HD21 LEU 35 3HD2 LEU 35 4.310 19.105 -0.091 239 HD22 LEU 35 1HD2 LEU 35 5.879 18.393 0.288 240 HD23 LEU 35 2HD2 LEU 35 5.451 18.744 -1.387 241 HA PRO 36 HA PRO 36 4.398 25.935 2.562 242 HB2 PRO 36 2HB PRO 36 2.765 26.588 0.494 243 HB3 PRO 36 3HB PRO 36 4.492 26.966 0.511 244 HG2 PRO 36 2HG PRO 36 3.060 24.707 -0.835 245 HG3 PRO 36 3HG PRO 36 4.365 25.734 -1.457 246 HD2 PRO 36 2HD PRO 36 4.804 23.240 -0.498 247 HD3 PRO 36 3HD PRO 36 5.999 24.544 -0.349 248 H TYR 37 H TYR 37 3.336 24.497 4.110 249 HA TYR 37 HA TYR 37 0.505 24.052 3.423 250 HB2 TYR 37 2HB TYR 37 0.458 22.039 4.620 251 HB3 TYR 37 3HB TYR 37 1.997 21.974 3.768 252 HD1 TYR 37 HD2 TYR 37 0.384 22.387 7.039 253 HD2 TYR 37 HD1 TYR 37 4.090 22.094 4.969 254 HE1 TYR 37 HE2 TYR 37 1.545 22.036 9.179 255 HE2 TYR 37 HE1 TYR 37 5.261 21.740 7.102 256 HH TYR 37 HH TYR 37 3.924 20.791 9.798 257 H SER 38 H SER 38 -1.006 24.256 5.181 258 HA SER 38 HA SER 38 -0.055 25.606 7.584 259 HB2 SER 38 2HB SER 38 -0.455 27.567 6.402 260 HB3 SER 38 3HB SER 38 -1.783 26.862 5.480 261 HG SER 38 HG SER 38 -1.848 27.475 8.253 262 H CYS 39 H CYS 39 -2.809 24.339 5.760 263 HA CYS 39 HA CYS 39 -4.358 23.952 8.185 264 HB2 CYS 39 2HB CYS 39 -6.151 23.278 6.754 265 HB3 CYS 39 3HB CYS 39 -5.382 24.669 5.997 266 H ARG 40 H ARG 40 -2.555 22.040 5.850 267 HA ARG 40 HA ARG 40 -2.171 19.775 5.708 268 HB2 ARG 40 2HB ARG 40 -1.003 18.923 7.664 269 HB3 ARG 40 3HB ARG 40 -0.529 20.588 7.354 270 HG2 ARG 40 2HG ARG 40 -1.684 21.394 9.201 271 HG3 ARG 40 3HG ARG 40 -2.699 19.955 9.313 272 HD2 ARG 40 2HD ARG 40 -0.587 18.671 9.853 273 HD3 ARG 40 3HD ARG 40 0.210 20.234 10.025 274 HE ARG 40 HE ARG 40 -2.123 20.174 11.606 275 HH11 ARG 40 1HH1 ARG 40 1.095 18.852 11.465 276 HH12 ARG 40 2HH1 ARG 40 1.233 18.664 13.182 277 HH21 ARG 40 1HH2 ARG 40 -1.953 19.931 13.867 278 HH22 ARG 40 2HH2 ARG 40 -0.502 19.277 14.547 279 H ALA 41 H ALA 41 -4.911 20.224 5.920 280 HA ALA 41 HA ALA 41 -5.739 17.722 7.144 281 HB1 ALA 41 1HB ALA 41 -7.794 19.308 7.986 282 HB2 ALA 41 2HB ALA 41 -6.466 18.742 9.000 283 HB3 ALA 41 3HB ALA 41 -6.393 20.343 8.264 284 H GLY 42 H GLY 42 -6.583 20.586 5.259 285 HA2 GLY 42 2HA GLY 42 -7.421 19.919 2.966 286 HA3 GLY 42 3HA GLY 42 -8.613 18.973 3.845 287 H ALA 43 H ALA 43 -7.415 22.295 3.462 288 HA ALA 43 HA ALA 43 -9.933 23.398 2.951 289 HB1 ALA 43 1HB ALA 43 -10.821 24.005 4.917 290 HB2 ALA 43 2HB ALA 43 -9.790 22.741 5.589 291 HB3 ALA 43 3HB ALA 43 -9.254 24.421 5.610 292 H CYS 44 H CYS 44 -7.320 23.633 1.942 293 HA CYS 44 HA CYS 44 -7.021 26.513 2.047 294 HB2 CYS 44 2HB CYS 44 -4.894 26.641 2.913 295 HB3 CYS 44 3HB CYS 44 -5.518 25.281 3.841 296 H SER 45 H SER 45 -4.948 27.046 0.581 297 HA SER 45 HA SER 45 -4.898 25.236 -1.723 298 HB2 SER 45 2HB SER 45 -6.622 26.863 -2.266 299 HB3 SER 45 3HB SER 45 -5.536 28.193 -1.862 300 HG SER 45 HG SER 45 -4.707 26.343 -3.787 301 H THR 46 H THR 46 -3.124 26.506 0.532 302 HA THR 46 HA THR 46 -1.020 27.738 -1.032 303 HB THR 46 HB THR 46 -1.608 28.436 1.334 304 HG1 THR 46 HG1 THR 46 0.327 29.260 1.193 305 HG21 THR 46 3HG2 THR 46 -1.288 27.084 3.110 306 HG22 THR 46 1HG2 THR 46 0.176 26.374 2.433 307 HG23 THR 46 2HG2 THR 46 -1.406 25.788 1.919 308 H CYS 47 H CYS 47 -1.824 24.612 0.209 309 HA CYS 47 HA CYS 47 0.880 23.600 -0.255 310 HB2 CYS 47 2HB CYS 47 0.134 21.563 0.822 311 HB3 CYS 47 3HB CYS 47 -0.326 22.942 1.816 312 H ALA 48 H ALA 48 -2.105 23.887 -1.834 313 HA ALA 48 HA ALA 48 -2.348 21.594 -3.347 314 HB1 ALA 48 1HB ALA 48 -3.737 22.792 -4.767 315 HB2 ALA 48 2HB ALA 48 -3.825 23.714 -3.266 316 HB3 ALA 48 3HB ALA 48 -2.805 24.279 -4.590 317 H GLY 49 H GLY 49 -1.558 20.894 -5.333 318 HA2 GLY 49 2HA GLY 49 0.705 22.400 -6.462 319 HA3 GLY 49 3HA GLY 49 0.920 20.711 -6.029 320 H LYS 50 H LYS 50 0.875 22.347 -8.633 321 HA LYS 50 HA LYS 50 -1.310 21.279 -10.139 322 HB2 LYS 50 2HB LYS 50 -0.169 23.405 -10.716 323 HB3 LYS 50 3HB LYS 50 1.278 22.493 -11.127 324 HG2 LYS 50 2HG LYS 50 0.240 21.490 -12.988 325 HG3 LYS 50 3HG LYS 50 -1.365 22.011 -12.469 326 HD2 LYS 50 2HD LYS 50 -1.126 23.815 -13.748 327 HD3 LYS 50 3HD LYS 50 0.171 24.348 -12.677 328 HE2 LYS 50 2HE LYS 50 1.831 23.404 -14.043 329 HE3 LYS 50 3HE LYS 50 0.666 22.415 -14.921 330 HZ1 LYS 50 3HZ LYS 50 -0.115 25.046 -15.273 331 HZ2 LYS 50 1HZ LYS 50 0.574 24.017 -16.426 332 HZ3 LYS 50 2HZ LYS 50 1.561 25.031 -15.501 333 H ILE 51 H ILE 51 -1.467 19.178 -10.563 334 HA ILE 51 HA ILE 51 0.986 17.652 -11.112 335 HB ILE 51 HB ILE 51 -1.054 17.046 -9.389 336 HG12 ILE 51 2HG1 ILE 51 1.136 16.034 -9.313 337 HG13 ILE 51 3HG1 ILE 51 -0.065 14.750 -9.388 338 HG21 ILE 51 1HG2 ILE 51 -2.346 15.242 -10.309 339 HG22 ILE 51 2HG2 ILE 51 -2.556 16.665 -11.327 340 HG23 ILE 51 3HG2 ILE 51 -1.492 15.358 -11.847 341 HD11 ILE 51 3HD1 ILE 51 1.895 15.635 -11.444 342 HD12 ILE 51 1HD1 ILE 51 1.504 14.010 -10.882 343 HD13 ILE 51 2HD1 ILE 51 0.391 14.867 -11.950 344 H THR 52 H THR 52 1.279 16.600 -13.011 345 HA THR 52 HA THR 52 -0.910 16.655 -14.975 346 HB THR 52 HB THR 52 0.443 18.480 -15.664 347 HG1 THR 52 HG1 THR 52 1.534 16.432 -17.265 348 HG21 THR 52 3HG2 THR 52 2.850 16.668 -15.448 349 HG22 THR 52 1HG2 THR 52 2.424 17.930 -14.293 350 HG23 THR 52 2HG2 THR 52 2.852 18.358 -15.950 351 H ALA 53 H ALA 53 2.187 15.265 -13.998 352 HA ALA 53 HA ALA 53 1.672 12.931 -15.702 353 HB1 ALA 53 1HB ALA 53 3.927 12.509 -15.738 354 HB2 ALA 53 2HB ALA 53 3.923 14.267 -15.597 355 HB3 ALA 53 3HB ALA 53 4.206 13.269 -14.171 356 H GLY 54 H GLY 54 -0.008 12.129 -14.291 357 HA2 GLY 54 2HA GLY 54 0.483 10.002 -12.776 358 HA3 GLY 54 3HA GLY 54 0.796 11.287 -11.618 359 H SER 55 H SER 55 -0.899 10.742 -10.263 360 HA SER 55 HA SER 55 -3.402 11.912 -10.851 361 HB2 SER 55 2HB SER 55 -4.028 10.076 -12.156 362 HB3 SER 55 3HB SER 55 -3.173 8.928 -11.126 363 HG SER 55 HG SER 55 -5.645 10.209 -10.687 364 H VAL 56 H VAL 56 -4.872 11.836 -9.053 365 HA VAL 56 HA VAL 56 -3.971 10.558 -6.607 366 HB VAL 56 HB VAL 56 -4.003 12.642 -5.296 367 HG11 VAL 56 1HG1 VAL 56 -1.915 11.644 -6.403 368 HG12 VAL 56 2HG1 VAL 56 -2.025 13.004 -7.522 369 HG13 VAL 56 3HG1 VAL 56 -1.818 13.296 -5.795 370 HG21 VAL 56 3HG2 VAL 56 -3.754 14.795 -6.648 371 HG22 VAL 56 1HG2 VAL 56 -4.434 13.883 -7.996 372 HG23 VAL 56 2HG2 VAL 56 -5.372 14.105 -6.519 373 H ASP 57 H ASP 57 -5.530 11.178 -4.757 374 HA ASP 57 HA ASP 57 -8.253 11.520 -5.824 375 HB2 ASP 57 2HB ASP 57 -7.156 9.182 -4.630 376 HB3 ASP 57 3HB ASP 57 -8.326 9.859 -3.501 377 H GLN 58 H GLN 58 -8.993 13.377 -5.040 378 HA GLN 58 HA GLN 58 -8.522 13.972 -2.194 379 HB2 GLN 58 2HB GLN 58 -8.737 16.427 -2.965 380 HB3 GLN 58 3HB GLN 58 -7.219 15.587 -3.258 381 HG2 GLN 58 2HG GLN 58 -7.602 15.415 -5.533 382 HG3 GLN 58 3HG GLN 58 -9.341 15.643 -5.359 383 HE21 GLN 58 1HE2 GLN 58 -7.023 17.030 -6.835 384 HE22 GLN 58 2HE2 GLN 58 -7.309 18.705 -6.528 385 H SER 59 H SER 59 -10.599 12.715 -2.096 386 HA SER 59 HA SER 59 -12.945 14.247 -2.930 387 HB2 SER 59 2HB SER 59 -12.387 11.428 -2.346 388 HB3 SER 59 3HB SER 59 -13.904 12.003 -1.653 389 HG SER 59 HG SER 59 -14.445 12.770 -3.769 390 H ASP 60 H ASP 60 -11.001 14.734 -0.567 391 HA ASP 60 HA ASP 60 -13.087 14.988 1.501 392 HB2 ASP 60 2HB ASP 60 -10.426 13.885 1.632 393 HB3 ASP 60 3HB ASP 60 -10.566 15.258 2.728 394 H GLN 61 H GLN 61 -10.953 16.625 -0.562 395 HA GLN 61 HA GLN 61 -10.211 18.891 0.818 396 HB2 GLN 61 2HB GLN 61 -10.266 20.052 -1.387 397 HB3 GLN 61 3HB GLN 61 -9.422 18.510 -1.420 398 HG2 GLN 61 2HG GLN 61 -10.694 18.526 -3.370 399 HG3 GLN 61 3HG GLN 61 -11.611 17.516 -2.253 400 HE21 GLN 61 1HE2 GLN 61 -11.324 21.021 -2.723 401 HE22 GLN 61 2HE2 GLN 61 -13.019 21.309 -2.894 402 H SER 62 H SER 62 -11.126 21.140 0.464 403 HA SER 62 HA SER 62 -14.022 21.263 0.271 404 HB2 SER 62 2HB SER 62 -12.876 20.959 2.781 405 HB3 SER 62 3HB SER 62 -13.137 22.699 2.652 406 HG SER 62 HG SER 62 -15.063 22.053 3.320 407 H PHE 63 H PHE 63 -11.451 22.341 -0.971 408 HA PHE 63 HA PHE 63 -12.165 25.196 -0.829 409 HB2 PHE 63 2HB PHE 63 -9.917 24.765 0.056 410 HB3 PHE 63 3HB PHE 63 -9.469 23.969 -1.449 411 HD1 PHE 63 HD1 PHE 63 -9.347 25.309 -3.550 412 HD2 PHE 63 HD2 PHE 63 -9.817 27.105 0.280 413 HE1 PHE 63 HE1 PHE 63 -8.611 27.467 -4.475 414 HE2 PHE 63 HE2 PHE 63 -9.083 29.265 -0.639 415 HZ PHE 63 HZ PHE 63 -8.479 29.449 -3.020 416 H LEU 64 H LEU 64 -10.687 22.787 -3.003 417 HA LEU 64 HA LEU 64 -11.182 24.284 -5.361 418 HB2 LEU 64 2HB LEU 64 -10.844 21.304 -5.268 419 HB3 LEU 64 3HB LEU 64 -10.383 22.422 -6.551 420 HG LEU 64 HG LEU 64 -9.047 22.238 -3.851 421 HD11 LEU 64 1HD1 LEU 64 -8.744 20.670 -6.258 422 HD12 LEU 64 2HD1 LEU 64 -8.010 20.452 -4.670 423 HD13 LEU 64 3HD1 LEU 64 -7.255 21.523 -5.850 424 HD21 LEU 64 3HD2 LEU 64 -7.767 23.533 -6.180 425 HD22 LEU 64 1HD2 LEU 64 -7.693 23.944 -4.467 426 HD23 LEU 64 2HD2 LEU 64 -9.102 24.403 -5.423 427 H ASP 65 H ASP 65 -12.575 23.568 -7.153 428 HA ASP 65 HA ASP 65 -15.100 22.410 -6.166 429 HB2 ASP 65 2HB ASP 65 -14.563 24.833 -7.805 430 HB3 ASP 65 3HB ASP 65 -15.981 23.876 -8.225 431 H ASP 66 H ASP 66 -13.691 23.223 -9.340 432 HA ASP 66 HA ASP 66 -13.595 20.458 -10.130 433 HB2 ASP 66 2HB ASP 66 -15.931 22.069 -10.746 434 HB3 ASP 66 3HB ASP 66 -15.134 21.503 -12.212 435 H ASP 67 H ASP 67 -13.491 23.848 -11.120 436 HA ASP 67 HA ASP 67 -11.995 23.460 -13.483 437 HB2 ASP 67 2HB ASP 67 -12.451 25.833 -11.688 438 HB3 ASP 67 3HB ASP 67 -11.377 25.933 -13.081 439 H GLN 68 H GLN 68 -11.081 23.922 -10.122 440 HA GLN 68 HA GLN 68 -8.310 24.323 -10.600 441 HB2 GLN 68 2HB GLN 68 -9.869 23.488 -8.160 442 HB3 GLN 68 3HB GLN 68 -8.120 23.671 -8.143 443 HG2 GLN 68 2HG GLN 68 -9.076 25.672 -7.293 444 HG3 GLN 68 3HG GLN 68 -8.423 26.022 -8.892 445 HE21 GLN 68 1HE2 GLN 68 -9.692 27.649 -9.542 446 HE22 GLN 68 2HE2 GLN 68 -11.411 27.561 -9.696 447 H ILE 69 H ILE 69 -10.112 21.482 -9.418 448 HA ILE 69 HA ILE 69 -7.963 19.704 -9.372 449 HB ILE 69 HB ILE 69 -10.867 19.071 -9.912 450 HG12 ILE 69 2HG1 ILE 69 -9.421 18.856 -7.278 451 HG13 ILE 69 3HG1 ILE 69 -10.225 20.343 -7.770 452 HG21 ILE 69 1HG2 ILE 69 -10.228 16.842 -8.936 453 HG22 ILE 69 2HG2 ILE 69 -9.570 17.185 -10.535 454 HG23 ILE 69 3HG2 ILE 69 -8.544 17.335 -9.109 455 HD11 ILE 69 3HD1 ILE 69 -12.209 18.579 -8.179 456 HD12 ILE 69 1HD1 ILE 69 -11.355 17.791 -6.853 457 HD13 ILE 69 2HD1 ILE 69 -11.953 19.439 -6.662 458 H GLU 70 H GLU 70 -9.917 20.840 -12.019 459 HA GLU 70 HA GLU 70 -9.264 18.798 -13.877 460 HB2 GLU 70 2HB GLU 70 -10.743 21.273 -13.875 461 HB3 GLU 70 3HB GLU 70 -9.737 21.170 -15.313 462 HG2 GLU 70 2HG GLU 70 -10.851 19.348 -16.136 463 HG3 GLU 70 3HG GLU 70 -11.380 18.815 -14.541 464 H ALA 71 H ALA 71 -8.022 22.120 -13.502 465 HA ALA 71 HA ALA 71 -6.083 22.085 -15.463 466 HB1 ALA 71 1HB ALA 71 -6.646 24.111 -14.292 467 HB2 ALA 71 2HB ALA 71 -6.009 23.459 -12.781 468 HB3 ALA 71 3HB ALA 71 -4.916 23.808 -14.121 469 H GLY 72 H GLY 72 -5.985 20.699 -12.236 470 HA2 GLY 72 2HA GLY 72 -4.490 18.636 -12.262 471 HA3 GLY 72 3HA GLY 72 -3.237 19.763 -12.761 472 H TYR 73 H TYR 73 -4.804 21.703 -10.851 473 HA TYR 73 HA TYR 73 -2.996 21.564 -8.720 474 HB2 TYR 73 2HB TYR 73 -5.736 22.825 -8.592 475 HB3 TYR 73 3HB TYR 73 -4.301 23.276 -7.676 476 HD1 TYR 73 HD2 TYR 73 -2.200 23.796 -9.346 477 HD2 TYR 73 HD1 TYR 73 -6.324 24.277 -10.273 478 HE1 TYR 73 HE2 TYR 73 -1.614 25.448 -11.072 479 HE2 TYR 73 HE1 TYR 73 -5.750 25.929 -12.002 480 HH TYR 73 HH TYR 73 -4.122 27.136 -12.927 481 H VAL 74 H VAL 74 -2.861 20.169 -7.105 482 HA VAL 74 HA VAL 74 -5.334 18.977 -6.044 483 HB VAL 74 HB VAL 74 -4.231 16.833 -5.753 484 HG11 VAL 74 1HG1 VAL 74 -3.547 16.887 -8.497 485 HG12 VAL 74 2HG1 VAL 74 -5.047 16.328 -7.755 486 HG13 VAL 74 3HG1 VAL 74 -4.887 18.010 -8.263 487 HG21 VAL 74 3HG2 VAL 74 -1.976 16.787 -7.267 488 HG22 VAL 74 1HG2 VAL 74 -1.863 18.384 -6.526 489 HG23 VAL 74 2HG2 VAL 74 -1.999 16.948 -5.511 490 H LEU 75 H LEU 75 -5.508 18.992 -3.881 491 HA LEU 75 HA LEU 75 -3.606 20.427 -2.324 492 HB2 LEU 75 2HB LEU 75 -6.041 18.830 -1.558 493 HB3 LEU 75 3HB LEU 75 -5.081 19.763 -0.412 494 HG LEU 75 HG LEU 75 -6.660 20.862 -2.737 495 HD11 LEU 75 1HD1 LEU 75 -7.964 21.947 -0.919 496 HD12 LEU 75 2HD1 LEU 75 -7.080 20.960 0.244 497 HD13 LEU 75 3HD1 LEU 75 -8.115 20.190 -0.959 498 HD21 LEU 75 3HD2 LEU 75 -5.048 22.316 -0.642 499 HD22 LEU 75 1HD2 LEU 75 -6.025 23.053 -1.912 500 HD23 LEU 75 2HD2 LEU 75 -4.588 22.120 -2.334 501 H THR 76 H THR 76 -1.728 19.615 -1.686 502 HA THR 76 HA THR 76 -1.132 16.851 -1.605 503 HB THR 76 HB THR 76 0.980 17.537 -0.494 504 HG1 THR 76 HG1 THR 76 -0.013 20.195 -0.712 505 HG21 THR 76 3HG2 THR 76 1.406 19.432 -2.401 506 HG22 THR 76 1HG2 THR 76 -0.016 18.611 -3.041 507 HG23 THR 76 2HG2 THR 76 1.449 17.693 -2.693 508 H CYS 77 H CYS 77 -2.618 18.954 0.647 509 HA CYS 77 HA CYS 77 -1.926 17.419 2.992 510 HB2 CYS 77 2HB CYS 77 -3.314 18.964 4.206 511 HB3 CYS 77 3HB CYS 77 -2.359 19.885 3.048 512 H VAL 78 H VAL 78 -4.085 17.032 0.471 513 HA VAL 78 HA VAL 78 -5.474 14.920 1.888 514 HB VAL 78 HB VAL 78 -7.718 15.751 1.042 515 HG11 VAL 78 1HG1 VAL 78 -6.461 17.505 3.141 516 HG12 VAL 78 2HG1 VAL 78 -8.148 17.006 3.014 517 HG13 VAL 78 3HG1 VAL 78 -6.906 15.822 3.422 518 HG21 VAL 78 3HG2 VAL 78 -6.132 18.298 0.754 519 HG22 VAL 78 1HG2 VAL 78 -7.003 17.431 -0.510 520 HG23 VAL 78 2HG2 VAL 78 -7.893 18.225 0.789 521 H ALA 79 H ALA 79 -3.665 14.538 -0.055 522 HA ALA 79 HA ALA 79 -5.299 13.849 -2.410 523 HB1 ALA 79 1HB ALA 79 -2.473 14.855 -2.270 524 HB2 ALA 79 2HB ALA 79 -3.093 13.994 -3.680 525 HB3 ALA 79 3HB ALA 79 -3.835 15.513 -3.178 526 H TYR 80 H TYR 80 -5.349 11.762 -2.968 527 HA TYR 80 HA TYR 80 -3.499 9.933 -1.592 528 HB2 TYR 80 2HB TYR 80 -6.239 9.369 -2.744 529 HB3 TYR 80 3HB TYR 80 -5.215 8.200 -1.917 530 HD1 TYR 80 HD1 TYR 80 -4.350 9.200 0.484 531 HD2 TYR 80 HD2 TYR 80 -7.985 10.186 -1.495 532 HE1 TYR 80 HE1 TYR 80 -5.339 9.855 2.639 533 HE2 TYR 80 HE2 TYR 80 -8.984 10.844 0.654 534 HH TYR 80 HH TYR 80 -8.693 10.467 3.011 535 HA PRO 81 HA PRO 81 -2.133 9.713 -5.966 536 HB2 PRO 81 2HB PRO 81 0.459 9.197 -5.343 537 HB3 PRO 81 3HB PRO 81 -0.206 10.833 -5.405 538 HG2 PRO 81 2HG PRO 81 0.280 9.075 -3.031 539 HG3 PRO 81 3HG PRO 81 0.605 10.807 -3.225 540 HD2 PRO 81 2HD PRO 81 -1.568 9.870 -1.909 541 HD3 PRO 81 3HD PRO 81 -1.589 11.391 -2.825 542 H THR 82 H THR 82 -3.410 7.750 -6.086 543 HA THR 82 HA THR 82 -2.724 5.288 -4.993 544 HB THR 82 HB THR 82 -3.754 4.818 -7.606 545 HG1 THR 82 HG1 THR 82 -5.606 6.227 -7.458 546 HG21 THR 82 3HG2 THR 82 -4.311 3.476 -5.679 547 HG22 THR 82 1HG2 THR 82 -5.789 4.189 -6.323 548 HG23 THR 82 2HG2 THR 82 -5.042 4.865 -4.876 549 H SER 83 H SER 83 -1.289 7.037 -7.609 550 HA SER 83 HA SER 83 0.679 4.894 -7.929 551 HB2 SER 83 2HB SER 83 0.601 5.577 -10.478 552 HB3 SER 83 3HB SER 83 -0.523 4.378 -9.838 553 HG SER 83 HG SER 83 -1.023 6.841 -10.879 554 H ASP 84 H ASP 84 2.581 5.704 -9.279 555 HA ASP 84 HA ASP 84 3.802 7.840 -8.030 556 HB2 ASP 84 2HB ASP 84 5.256 6.420 -9.171 557 HB3 ASP 84 3HB ASP 84 4.294 6.458 -10.646 558 H CYS 85 H CYS 85 3.813 9.997 -8.265 559 HA CYS 85 HA CYS 85 2.843 11.242 -10.694 560 HB2 CYS 85 2HB CYS 85 1.068 12.494 -9.679 561 HB3 CYS 85 3HB CYS 85 0.799 10.797 -9.304 562 HG CYS 85 HG CYS 85 1.931 11.073 -6.691 563 H THR 86 H THR 86 3.493 13.384 -10.925 564 HA THR 86 HA THR 86 5.492 14.261 -8.953 565 HB THR 86 HB THR 86 5.219 15.006 -11.872 566 HG1 THR 86 HG1 THR 86 6.070 12.848 -11.245 567 HG21 THR 86 3HG2 THR 86 7.552 15.976 -11.416 568 HG22 THR 86 1HG2 THR 86 7.097 15.926 -9.714 569 HG23 THR 86 2HG2 THR 86 6.159 16.896 -10.849 570 H ILE 87 H ILE 87 4.196 15.399 -7.536 571 HA ILE 87 HA ILE 87 2.335 17.387 -8.480 572 HB ILE 87 HB ILE 87 3.316 16.818 -5.681 573 HG12 ILE 87 2HG1 ILE 87 0.563 16.166 -6.157 574 HG13 ILE 87 3HG1 ILE 87 1.559 15.377 -7.374 575 HG21 ILE 87 1HG2 ILE 87 1.281 18.714 -6.775 576 HG22 ILE 87 2HG2 ILE 87 1.080 18.029 -5.163 577 HG23 ILE 87 3HG2 ILE 87 2.514 18.983 -5.543 578 HD11 ILE 87 3HD1 ILE 87 2.597 14.039 -5.853 579 HD12 ILE 87 1HD1 ILE 87 2.403 15.195 -4.535 580 HD13 ILE 87 2HD1 ILE 87 1.027 14.231 -5.073 581 H GLU 88 H GLU 88 2.704 19.489 -8.804 582 HA GLU 88 HA GLU 88 5.391 20.511 -8.300 583 HB2 GLU 88 2HB GLU 88 3.103 21.399 -10.029 584 HB3 GLU 88 3HB GLU 88 4.411 22.509 -9.643 585 HG2 GLU 88 2HG GLU 88 6.017 20.892 -10.586 586 HG3 GLU 88 3HG GLU 88 4.664 19.860 -11.048 587 H THR 89 H THR 89 5.662 21.320 -6.318 588 HA THR 89 HA THR 89 3.557 22.457 -4.772 589 HB THR 89 HB THR 89 5.180 22.878 -3.084 590 HG1 THR 89 HG1 THR 89 7.365 22.255 -4.729 591 HG21 THR 89 3HG2 THR 89 5.939 20.398 -4.630 592 HG22 THR 89 1HG2 THR 89 4.717 20.523 -3.365 593 HG23 THR 89 2HG2 THR 89 6.423 20.730 -2.967 594 H HIS 90 H HIS 90 4.023 24.686 -3.682 595 HA HIS 90 HA HIS 90 3.986 26.950 -3.904 596 HB2 HIS 90 2HB HIS 90 6.166 26.322 -5.902 597 HB3 HIS 90 3HB HIS 90 5.755 27.953 -5.379 598 HD1 HIS 90 HD1 HIS 90 6.432 24.729 -3.456 599 HD2 HIS 90 HD2 HIS 90 7.598 28.715 -3.570 600 HE1 HIS 90 HE1 HIS 90 8.078 25.002 -1.575 601 H LYS 91 H LYS 91 1.923 25.780 -5.166 602 HA LYS 91 HA LYS 91 1.599 27.454 -7.560 603 HB2 LYS 91 2HB LYS 91 0.976 24.532 -7.245 604 HB3 LYS 91 3HB LYS 91 0.088 25.519 -8.399 605 HG2 LYS 91 2HG LYS 91 3.077 25.146 -8.361 606 HG3 LYS 91 3HG LYS 91 1.950 24.320 -9.440 607 HD2 LYS 91 2HD LYS 91 1.206 26.665 -10.153 608 HD3 LYS 91 3HD LYS 91 2.674 27.234 -9.355 609 HE2 LYS 91 2HE LYS 91 3.992 25.701 -10.783 610 HE3 LYS 91 3HE LYS 91 2.508 25.249 -11.620 611 HZ1 LYS 91 3HZ LYS 91 2.381 27.248 -12.674 612 HZ2 LYS 91 1HZ LYS 91 4.063 27.129 -12.534 613 HZ3 LYS 91 2HZ LYS 91 3.190 28.091 -11.451 614 H GLU 92 H GLU 92 0.713 28.679 -5.549 615 HA GLU 92 HA GLU 92 -2.096 27.923 -5.107 616 HB2 GLU 92 2HB GLU 92 -0.882 28.065 -3.035 617 HB3 GLU 92 3HB GLU 92 -0.227 29.638 -3.469 618 HG2 GLU 92 2HG GLU 92 -3.077 29.750 -3.563 619 HG3 GLU 92 3HG GLU 92 -2.568 29.065 -2.021 620 H GLU 93 H GLU 93 0.046 30.583 -5.982 621 HA GLU 93 HA GLU 93 -1.824 32.637 -6.166 622 HB2 GLU 93 2HB GLU 93 0.873 32.121 -7.173 623 HB3 GLU 93 3HB GLU 93 -0.070 33.162 -8.230 624 HG2 GLU 93 2HG GLU 93 0.118 34.892 -6.854 625 HG3 GLU 93 3HG GLU 93 -0.326 33.925 -5.449 626 H ASP 94 H ASP 94 -1.305 29.901 -8.206 627 HA ASP 94 HA ASP 94 -2.288 30.732 -10.647 628 HB2 ASP 94 2HB ASP 94 -1.919 28.202 -9.278 629 HB3 ASP 94 3HB ASP 94 -3.356 28.174 -10.296 630 H LEU 95 H LEU 95 -4.066 29.805 -7.747 631 HA LEU 95 HA LEU 95 -6.627 30.136 -9.066 632 HB2 LEU 95 2HB LEU 95 -6.244 29.807 -6.115 633 HB3 LEU 95 3HB LEU 95 -7.605 29.310 -7.117 634 HG LEU 95 HG LEU 95 -4.895 28.001 -6.944 635 HD11 LEU 95 1HD1 LEU 95 -7.551 26.727 -6.419 636 HD12 LEU 95 2HD1 LEU 95 -6.733 27.656 -5.163 637 HD13 LEU 95 3HD1 LEU 95 -5.948 26.241 -5.866 638 HD21 LEU 95 3HD2 LEU 95 -5.245 27.397 -9.068 639 HD22 LEU 95 1HD2 LEU 95 -6.922 27.943 -9.043 640 HD23 LEU 95 2HD2 LEU 95 -6.506 26.346 -8.421 641 H TYR 96 H TYR 96 -4.697 31.785 -6.600 642 HA TYR 96 HA TYR 96 -6.605 33.807 -6.044 643 HB2 TYR 96 2HB TYR 96 -3.634 33.603 -5.580 644 HB3 TYR 96 3HB TYR 96 -4.560 35.023 -5.108 645 HD1 TYR 96 HD1 TYR 96 -4.612 31.308 -4.707 646 HD2 TYR 96 HD2 TYR 96 -5.435 35.104 -2.970 647 HE1 TYR 96 HE1 TYR 96 -5.214 30.204 -2.593 648 HE2 TYR 96 HE2 TYR 96 -6.039 34.010 -0.851 649 HH TYR 96 HH TYR 96 -6.727 30.817 -0.562 Start of MODEL 10 1 H1 ALA 1 H ALA 1 2.651 -0.320 -0.252 2 HA ALA 1 HA ALA 1 1.697 -0.184 -2.420 3 HB1 ALA 1 1HB ALA 1 -0.694 0.635 -0.818 4 HB2 ALA 1 2HB ALA 1 -0.602 0.999 -2.542 5 HB3 ALA 1 3HB ALA 1 -0.527 -0.674 -1.988 6 H SER 2 H SER 2 3.313 1.603 -0.715 7 HA SER 2 HA SER 2 2.549 4.295 -1.350 8 HB2 SER 2 2HB SER 2 4.008 3.436 0.631 9 HB3 SER 2 3HB SER 2 5.330 3.497 -0.536 10 HG SER 2 HG SER 2 4.630 5.462 0.870 11 H TYR 3 H TYR 3 3.053 5.470 -3.090 12 HA TYR 3 HA TYR 3 4.924 4.297 -5.040 13 HB2 TYR 3 2HB TYR 3 2.381 5.854 -5.381 14 HB3 TYR 3 3HB TYR 3 3.595 5.852 -6.656 15 HD1 TYR 3 HD2 TYR 3 4.136 3.773 -7.852 16 HD2 TYR 3 HD1 TYR 3 1.049 3.905 -4.928 17 HE1 TYR 3 HE2 TYR 3 3.252 1.639 -8.698 18 HE2 TYR 3 HE1 TYR 3 0.157 1.771 -5.765 19 HH TYR 3 HH TYR 3 0.583 -0.010 -7.088 20 H THR 4 H THR 4 6.389 5.641 -6.104 21 HA THR 4 HA THR 4 7.562 7.674 -4.595 22 HB THR 4 HB THR 4 8.943 6.592 -6.182 23 HG1 THR 4 HG1 THR 4 9.648 8.408 -7.480 24 HG21 THR 4 3HG2 THR 4 7.374 5.784 -7.776 25 HG22 THR 4 1HG2 THR 4 8.492 6.826 -8.656 26 HG23 THR 4 2HG2 THR 4 6.887 7.418 -8.225 27 H VAL 5 H VAL 5 7.092 9.754 -4.320 28 HA VAL 5 HA VAL 5 5.274 11.043 -6.251 29 HB VAL 5 HB VAL 5 5.522 11.575 -3.287 30 HG11 VAL 5 1HG1 VAL 5 4.659 13.579 -3.700 31 HG12 VAL 5 2HG1 VAL 5 4.557 13.221 -5.425 32 HG13 VAL 5 3HG1 VAL 5 3.224 12.790 -4.353 33 HG21 VAL 5 3HG2 VAL 5 3.492 10.133 -4.958 34 HG22 VAL 5 1HG2 VAL 5 4.298 9.600 -3.482 35 HG23 VAL 5 2HG2 VAL 5 3.056 10.850 -3.407 36 H LYS 6 H LYS 6 6.520 12.279 -7.517 37 HA LYS 6 HA LYS 6 8.901 13.568 -6.566 38 HB2 LYS 6 2HB LYS 6 8.053 12.762 -9.022 39 HB3 LYS 6 3HB LYS 6 7.728 14.488 -9.113 40 HG2 LYS 6 2HG LYS 6 9.928 15.049 -9.075 41 HG3 LYS 6 3HG LYS 6 10.382 13.653 -8.094 42 HD2 LYS 6 2HD LYS 6 10.852 12.421 -9.900 43 HD3 LYS 6 3HD LYS 6 9.353 12.891 -10.705 44 HE2 LYS 6 2HE LYS 6 11.286 15.060 -10.573 45 HE3 LYS 6 3HE LYS 6 11.909 13.649 -11.427 46 HZ1 LYS 6 3HZ LYS 6 9.925 15.539 -12.249 47 HZ2 LYS 6 1HZ LYS 6 9.380 13.944 -12.394 48 HZ3 LYS 6 2HZ LYS 6 10.801 14.426 -13.174 49 H LEU 7 H LEU 7 8.786 15.277 -5.267 50 HA LEU 7 HA LEU 7 6.610 17.212 -5.640 51 HB2 LEU 7 2HB LEU 7 8.311 16.407 -3.336 52 HB3 LEU 7 3HB LEU 7 7.688 18.055 -3.380 53 HG LEU 7 HG LEU 7 5.615 16.073 -3.865 54 HD11 LEU 7 1HD1 LEU 7 6.516 16.044 -1.046 55 HD12 LEU 7 2HD1 LEU 7 7.408 15.040 -2.188 56 HD13 LEU 7 3HD1 LEU 7 5.672 14.811 -1.983 57 HD21 LEU 7 3HD2 LEU 7 4.756 18.113 -3.334 58 HD22 LEU 7 1HD2 LEU 7 6.082 18.512 -2.240 59 HD23 LEU 7 2HD2 LEU 7 4.810 17.407 -1.717 60 H ILE 8 H ILE 8 7.377 18.461 -7.314 61 HA ILE 8 HA ILE 8 10.026 19.441 -7.498 62 HB ILE 8 HB ILE 8 7.583 20.714 -8.724 63 HG12 ILE 8 2HG1 ILE 8 7.542 18.339 -9.245 64 HG13 ILE 8 3HG1 ILE 8 8.015 19.248 -10.677 65 HG21 ILE 8 1HG2 ILE 8 9.194 22.161 -9.337 66 HG22 ILE 8 2HG2 ILE 8 10.492 21.005 -9.040 67 HG23 ILE 8 3HG2 ILE 8 9.569 20.929 -10.541 68 HD11 ILE 8 3HD1 ILE 8 10.395 18.714 -10.100 69 HD12 ILE 8 1HD1 ILE 8 9.771 17.617 -8.870 70 HD13 ILE 8 2HD1 ILE 8 9.399 17.338 -10.571 71 H THR 9 H THR 9 10.990 21.164 -6.619 72 HA THR 9 HA THR 9 9.377 23.305 -5.458 73 HB THR 9 HB THR 9 10.368 23.241 -3.315 74 HG1 THR 9 HG1 THR 9 11.990 21.019 -3.887 75 HG21 THR 9 3HG2 THR 9 10.006 20.311 -3.867 76 HG22 THR 9 1HG2 THR 9 8.642 21.427 -3.901 77 HG23 THR 9 2HG2 THR 9 9.579 21.224 -2.421 78 HA PRO 10 HA PRO 10 12.536 25.911 -7.046 79 HB2 PRO 10 2HB PRO 10 12.413 27.990 -5.304 80 HB3 PRO 10 3HB PRO 10 11.169 27.681 -6.520 81 HG2 PRO 10 2HG PRO 10 11.181 26.995 -3.607 82 HG3 PRO 10 3HG PRO 10 9.867 27.660 -4.594 83 HD2 PRO 10 2HD PRO 10 10.012 25.037 -3.938 84 HD3 PRO 10 3HD PRO 10 9.313 25.601 -5.469 85 H ASP 11 H ASP 11 12.788 24.440 -4.007 86 HA ASP 11 HA ASP 11 15.530 25.437 -3.626 87 HB2 ASP 11 2HB ASP 11 13.563 24.195 -1.703 88 HB3 ASP 11 3HB ASP 11 15.268 24.405 -1.314 89 H GLY 12 H GLY 12 14.353 23.196 -5.393 90 HA2 GLY 12 2HA GLY 12 16.184 21.540 -6.017 91 HA3 GLY 12 3HA GLY 12 16.019 20.993 -4.355 92 H GLU 13 H GLU 13 15.683 18.963 -5.758 93 HA GLU 13 HA GLU 13 12.788 18.660 -6.205 94 HB2 GLU 13 2HB GLU 13 15.087 17.639 -7.854 95 HB3 GLU 13 3HB GLU 13 13.512 16.859 -7.903 96 HG2 GLU 13 2HG GLU 13 12.477 18.773 -8.798 97 HG3 GLU 13 3HG GLU 13 13.867 19.791 -8.428 98 H SER 14 H SER 14 11.923 17.297 -4.803 99 HA SER 14 HA SER 14 13.604 15.129 -3.724 100 HB2 SER 14 2HB SER 14 11.908 17.089 -2.418 101 HB3 SER 14 3HB SER 14 11.426 15.445 -2.000 102 HG SER 14 HG SER 14 14.145 16.122 -1.950 103 H SER 15 H SER 15 12.337 13.196 -2.993 104 HA SER 15 HA SER 15 9.862 12.731 -4.459 105 HB2 SER 15 2HB SER 15 11.050 10.423 -5.119 106 HB3 SER 15 3HB SER 15 11.113 11.845 -6.161 107 HG SER 15 HG SER 15 13.124 12.347 -4.984 108 H ILE 16 H ILE 16 8.762 12.441 -2.557 109 HA ILE 16 HA ILE 16 9.731 10.403 -0.690 110 HB ILE 16 HB ILE 16 8.097 11.228 0.880 111 HG12 ILE 16 2HG1 ILE 16 7.191 13.070 -1.344 112 HG13 ILE 16 3HG1 ILE 16 6.283 11.704 -0.704 113 HG21 ILE 16 1HG2 ILE 16 10.236 12.422 0.698 114 HG22 ILE 16 2HG2 ILE 16 9.502 13.540 -0.450 115 HG23 ILE 16 3HG2 ILE 16 8.927 13.484 1.216 116 HD11 ILE 16 3HD1 ILE 16 6.101 12.808 1.445 117 HD12 ILE 16 1HD1 ILE 16 7.062 14.161 0.848 118 HD13 ILE 16 2HD1 ILE 16 5.471 13.836 0.158 119 H GLU 17 H GLU 17 8.399 8.683 0.001 120 HA GLU 17 HA GLU 17 6.499 7.813 -2.045 121 HB2 GLU 17 2HB GLU 17 8.420 6.494 -0.348 122 HB3 GLU 17 3HB GLU 17 6.828 5.785 -0.122 123 HG2 GLU 17 2HG GLU 17 6.685 5.072 -2.313 124 HG3 GLU 17 3HG GLU 17 7.886 6.232 -2.876 125 H CYS 18 H CYS 18 4.385 7.944 -1.728 126 HA CYS 18 HA CYS 18 3.384 8.072 1.041 127 HB2 CYS 18 2HB CYS 18 3.132 10.252 0.046 128 HB3 CYS 18 3HB CYS 18 2.411 9.560 -1.402 129 HG CYS 18 HG CYS 18 1.004 9.833 1.696 130 H SER 19 H SER 19 1.594 6.880 1.555 131 HA SER 19 HA SER 19 0.919 4.751 -0.290 132 HB2 SER 19 2HB SER 19 0.984 5.053 2.540 133 HB3 SER 19 3HB SER 19 -0.669 4.643 2.083 134 HG SER 19 HG SER 19 -0.025 2.730 1.395 135 H ASP 20 H ASP 20 -1.188 4.246 -0.982 136 HA ASP 20 HA ASP 20 -2.723 6.336 -1.939 137 HB2 ASP 20 2HB ASP 20 -2.955 4.148 -2.897 138 HB3 ASP 20 3HB ASP 20 -3.491 3.472 -1.362 139 H ASP 21 H ASP 21 -2.884 4.695 1.144 140 HA ASP 21 HA ASP 21 -5.301 6.164 1.884 141 HB2 ASP 21 2HB ASP 21 -4.540 3.609 2.441 142 HB3 ASP 21 3HB ASP 21 -4.007 4.441 3.899 143 H THR 22 H THR 22 -2.857 7.614 1.468 144 HA THR 22 HA THR 22 -2.698 8.924 4.061 145 HB THR 22 HB THR 22 -0.063 8.492 2.755 146 HG1 THR 22 HG1 THR 22 -0.974 6.536 4.565 147 HG21 THR 22 3HG2 THR 22 0.314 9.703 4.629 148 HG22 THR 22 1HG2 THR 22 0.279 8.122 5.410 149 HG23 THR 22 2HG2 THR 22 -1.161 9.140 5.416 150 H TYR 23 H TYR 23 -1.336 10.970 3.880 151 HA TYR 23 HA TYR 23 -1.984 12.256 1.322 152 HB2 TYR 23 2HB TYR 23 -1.236 13.665 3.880 153 HB3 TYR 23 3HB TYR 23 -2.073 14.326 2.480 154 HD1 TYR 23 HD2 TYR 23 -4.360 13.066 1.915 155 HD2 TYR 23 HD1 TYR 23 -2.499 13.155 5.740 156 HE1 TYR 23 HE2 TYR 23 -6.525 12.575 2.973 157 HE2 TYR 23 HE1 TYR 23 -4.658 12.663 6.809 158 HH TYR 23 HH TYR 23 -7.540 13.039 5.390 159 H ILE 24 H ILE 24 -0.466 13.303 0.114 160 HA ILE 24 HA ILE 24 2.174 12.445 0.162 161 HB ILE 24 HB ILE 24 1.124 15.013 -1.033 162 HG12 ILE 24 2HG1 ILE 24 1.591 12.994 -2.976 163 HG13 ILE 24 3HG1 ILE 24 0.631 12.271 -1.690 164 HG21 ILE 24 1HG2 ILE 24 3.107 14.396 -2.653 165 HG22 ILE 24 2HG2 ILE 24 3.386 15.311 -1.173 166 HG23 ILE 24 3HG2 ILE 24 3.724 13.581 -1.216 167 HD11 ILE 24 3HD1 ILE 24 -0.525 13.434 -3.705 168 HD12 ILE 24 1HD1 ILE 24 -1.161 13.648 -2.074 169 HD13 ILE 24 2HD1 ILE 24 -0.172 14.911 -2.808 170 H LEU 25 H LEU 25 0.748 15.402 1.488 171 HA LEU 25 HA LEU 25 3.145 16.631 2.289 172 HB2 LEU 25 2HB LEU 25 1.068 17.856 2.156 173 HB3 LEU 25 3HB LEU 25 0.361 16.853 3.421 174 HG LEU 25 HG LEU 25 1.991 17.795 5.027 175 HD11 LEU 25 1HD1 LEU 25 3.500 19.461 4.494 176 HD12 LEU 25 2HD1 LEU 25 2.657 19.895 3.007 177 HD13 LEU 25 3HD1 LEU 25 3.597 18.405 3.084 178 HD21 LEU 25 3HD2 LEU 25 0.307 19.820 3.556 179 HD22 LEU 25 1HD2 LEU 25 0.946 20.004 5.189 180 HD23 LEU 25 2HD2 LEU 25 -0.241 18.746 4.844 181 H ASP 26 H ASP 26 0.912 14.505 4.047 182 HA ASP 26 HA ASP 26 2.096 14.545 6.543 183 HB2 ASP 26 2HB ASP 26 0.435 12.595 5.044 184 HB3 ASP 26 3HB ASP 26 1.292 11.981 6.455 185 H ALA 27 H ALA 27 3.035 12.755 3.667 186 HA ALA 27 HA ALA 27 5.094 11.273 5.047 187 HB1 ALA 27 1HB ALA 27 4.627 11.523 2.080 188 HB2 ALA 27 2HB ALA 27 5.593 10.300 2.906 189 HB3 ALA 27 3HB ALA 27 3.843 10.335 3.121 190 H ALA 28 H ALA 28 4.813 14.282 3.389 191 HA ALA 28 HA ALA 28 7.610 14.560 2.782 192 HB1 ALA 28 1HB ALA 28 5.425 15.729 1.766 193 HB2 ALA 28 2HB ALA 28 5.907 16.970 2.924 194 HB3 ALA 28 3HB ALA 28 7.035 16.446 1.673 195 H GLU 29 H GLU 29 5.432 16.311 5.008 196 HA GLU 29 HA GLU 29 7.389 17.729 6.374 197 HB2 GLU 29 2HB GLU 29 5.740 17.963 8.181 198 HB3 GLU 29 3HB GLU 29 5.014 18.226 6.601 199 HG2 GLU 29 2HG GLU 29 3.459 16.754 7.140 200 HG3 GLU 29 3HG GLU 29 4.699 15.501 7.112 201 H GLU 30 H GLU 30 6.374 14.411 6.710 202 HA GLU 30 HA GLU 30 7.605 13.954 9.243 203 HB2 GLU 30 2HB GLU 30 5.782 12.537 8.410 204 HB3 GLU 30 3HB GLU 30 6.804 11.992 7.087 205 HG2 GLU 30 2HG GLU 30 7.635 10.381 8.345 206 HG3 GLU 30 3HG GLU 30 8.169 11.552 9.549 207 H ALA 31 H ALA 31 8.702 13.964 5.957 208 HA ALA 31 HA ALA 31 11.205 12.629 6.655 209 HB1 ALA 31 1HB ALA 31 9.777 12.318 4.467 210 HB2 ALA 31 2HB ALA 31 10.698 13.726 3.936 211 HB3 ALA 31 3HB ALA 31 11.539 12.255 4.423 212 H GLY 32 H GLY 32 9.907 15.786 6.139 213 HA2 GLY 32 2HA GLY 32 11.018 17.745 6.888 214 HA3 GLY 32 3HA GLY 32 12.556 16.922 6.675 215 H LEU 33 H LEU 33 9.803 17.468 4.483 216 HA LEU 33 HA LEU 33 11.642 18.227 2.375 217 HB2 LEU 33 2HB LEU 33 9.047 17.096 2.519 218 HB3 LEU 33 3HB LEU 33 8.921 18.610 1.627 219 HG LEU 33 HG LEU 33 10.642 16.231 0.941 220 HD11 LEU 33 1HD1 LEU 33 9.207 16.553 -1.213 221 HD12 LEU 33 2HD1 LEU 33 8.104 17.387 -0.119 222 HD13 LEU 33 3HD1 LEU 33 8.537 15.704 0.180 223 HD21 LEU 33 3HD2 LEU 33 11.993 17.625 -0.137 224 HD22 LEU 33 1HD2 LEU 33 10.990 19.009 0.297 225 HD23 LEU 33 2HD2 LEU 33 10.632 18.083 -1.162 226 H ASP 34 H ASP 34 9.535 19.745 4.649 227 HA ASP 34 HA ASP 34 9.092 21.924 5.129 228 HB2 ASP 34 2HB ASP 34 11.722 21.923 3.913 229 HB3 ASP 34 3HB ASP 34 10.867 23.424 3.570 230 H LEU 35 H LEU 35 7.070 21.836 4.078 231 HA LEU 35 HA LEU 35 7.002 23.074 1.407 232 HB2 LEU 35 2HB LEU 35 5.514 20.887 2.638 233 HB3 LEU 35 3HB LEU 35 4.480 22.081 1.855 234 HG LEU 35 HG LEU 35 5.491 21.687 -0.263 235 HD11 LEU 35 1HD1 LEU 35 7.294 19.792 -0.308 236 HD12 LEU 35 2HD1 LEU 35 7.583 20.310 1.352 237 HD13 LEU 35 3HD1 LEU 35 7.755 21.461 0.027 238 HD21 LEU 35 3HD2 LEU 35 4.593 19.641 -0.685 239 HD22 LEU 35 1HD2 LEU 35 3.940 19.891 0.934 240 HD23 LEU 35 2HD2 LEU 35 5.371 18.886 0.707 241 HA PRO 36 HA PRO 36 4.858 26.595 2.907 242 HB2 PRO 36 2HB PRO 36 3.009 27.038 0.970 243 HB3 PRO 36 3HB PRO 36 4.735 27.336 0.736 244 HG2 PRO 36 2HG PRO 36 3.087 24.985 -0.111 245 HG3 PRO 36 3HG PRO 36 4.338 25.858 -1.015 246 HD2 PRO 36 2HD PRO 36 4.815 23.498 0.224 247 HD3 PRO 36 3HD PRO 36 6.057 24.755 0.053 248 H TYR 37 H TYR 37 3.368 23.609 2.778 249 HA TYR 37 HA TYR 37 0.696 23.912 3.109 250 HB2 TYR 37 2HB TYR 37 0.679 21.904 4.376 251 HB3 TYR 37 3HB TYR 37 2.058 21.775 3.289 252 HD1 TYR 37 HD2 TYR 37 4.356 22.038 4.171 253 HD2 TYR 37 HD1 TYR 37 0.971 21.973 6.748 254 HE1 TYR 37 HE2 TYR 37 5.832 21.604 6.090 255 HE2 TYR 37 HE1 TYR 37 2.438 21.539 8.674 256 HH TYR 37 HH TYR 37 5.662 22.034 8.677 257 H SER 38 H SER 38 -0.709 24.146 4.939 258 HA SER 38 HA SER 38 0.424 25.445 7.298 259 HB2 SER 38 2HB SER 38 -0.085 27.319 5.845 260 HB3 SER 38 3HB SER 38 -1.705 26.691 5.543 261 HG SER 38 HG SER 38 -0.931 28.305 7.483 262 H CYS 39 H CYS 39 -2.450 24.184 5.666 263 HA CYS 39 HA CYS 39 -3.791 23.753 8.214 264 HB2 CYS 39 2HB CYS 39 -5.732 23.204 6.944 265 HB3 CYS 39 3HB CYS 39 -4.993 24.594 6.154 266 H ARG 40 H ARG 40 -2.250 21.929 5.638 267 HA ARG 40 HA ARG 40 -1.938 19.665 5.350 268 HB2 ARG 40 2HB ARG 40 -0.636 18.688 7.177 269 HB3 ARG 40 3HB ARG 40 -0.120 20.336 6.846 270 HG2 ARG 40 2HG ARG 40 -1.090 21.159 8.803 271 HG3 ARG 40 3HG ARG 40 -2.097 19.725 9.012 272 HD2 ARG 40 2HD ARG 40 0.248 18.524 9.143 273 HD3 ARG 40 3HD ARG 40 0.790 20.134 9.617 274 HE ARG 40 HE ARG 40 -1.505 19.209 11.079 275 HH11 ARG 40 1HH1 ARG 40 1.972 19.205 10.905 276 HH12 ARG 40 2HH1 ARG 40 2.186 18.898 12.597 277 HH21 ARG 40 1HH2 ARG 40 -1.236 18.806 13.308 278 HH22 ARG 40 2HH2 ARG 40 0.361 18.670 13.962 279 H ALA 41 H ALA 41 -4.622 20.090 5.764 280 HA ALA 41 HA ALA 41 -5.383 17.576 7.000 281 HB1 ALA 41 1HB ALA 41 -7.358 19.130 8.035 282 HB2 ALA 41 2HB ALA 41 -5.940 18.580 8.928 283 HB3 ALA 41 3HB ALA 41 -5.956 20.187 8.204 284 H GLY 42 H GLY 42 -6.340 20.488 5.247 285 HA2 GLY 42 2HA GLY 42 -7.347 19.873 3.005 286 HA3 GLY 42 3HA GLY 42 -8.483 18.924 3.951 287 H ALA 43 H ALA 43 -7.264 22.242 3.582 288 HA ALA 43 HA ALA 43 -9.826 23.367 3.295 289 HB1 ALA 43 1HB ALA 43 -9.684 24.691 5.528 290 HB2 ALA 43 2HB ALA 43 -10.358 23.061 5.520 291 HB3 ALA 43 3HB ALA 43 -8.701 23.327 6.062 292 H CYS 44 H CYS 44 -7.288 23.555 2.047 293 HA CYS 44 HA CYS 44 -7.027 26.413 1.942 294 HB2 CYS 44 2HB CYS 44 -4.935 26.722 2.836 295 HB3 CYS 44 3HB CYS 44 -5.504 25.416 3.871 296 H SER 45 H SER 45 -4.980 26.901 0.447 297 HA SER 45 HA SER 45 -4.827 24.870 -1.666 298 HB2 SER 45 2HB SER 45 -6.547 26.871 -2.007 299 HB3 SER 45 3HB SER 45 -5.085 27.723 -2.503 300 HG SER 45 HG SER 45 -5.468 25.184 -3.563 301 H THR 46 H THR 46 -3.157 26.524 0.482 302 HA THR 46 HA THR 46 -1.066 27.694 -1.076 303 HB THR 46 HB THR 46 -1.680 28.258 1.350 304 HG1 THR 46 HG1 THR 46 0.144 29.195 0.519 305 HG21 THR 46 3HG2 THR 46 -1.060 26.910 3.073 306 HG22 THR 46 1HG2 THR 46 0.330 26.258 2.207 307 HG23 THR 46 2HG2 THR 46 -1.290 25.655 1.856 308 H CYS 47 H CYS 47 -1.761 24.514 0.092 309 HA CYS 47 HA CYS 47 0.965 23.598 -0.443 310 HB2 CYS 47 2HB CYS 47 0.169 21.441 0.510 311 HB3 CYS 47 3HB CYS 47 0.001 22.794 1.624 312 H ALA 48 H ALA 48 -1.990 23.910 -2.011 313 HA ALA 48 HA ALA 48 -2.296 21.638 -3.536 314 HB1 ALA 48 1HB ALA 48 -3.658 22.872 -4.924 315 HB2 ALA 48 2HB ALA 48 -3.661 23.857 -3.461 316 HB3 ALA 48 3HB ALA 48 -2.639 24.308 -4.826 317 H GLY 49 H GLY 49 -1.416 20.820 -5.397 318 HA2 GLY 49 2HA GLY 49 0.877 22.276 -6.546 319 HA3 GLY 49 3HA GLY 49 1.028 20.584 -6.098 320 H LYS 50 H LYS 50 0.984 22.295 -8.706 321 HA LYS 50 HA LYS 50 -1.179 21.226 -10.229 322 HB2 LYS 50 2HB LYS 50 0.036 23.362 -10.746 323 HB3 LYS 50 3HB LYS 50 1.411 22.393 -11.258 324 HG2 LYS 50 2HG LYS 50 0.207 21.477 -13.077 325 HG3 LYS 50 3HG LYS 50 -1.323 22.116 -12.473 326 HD2 LYS 50 2HD LYS 50 -0.930 24.189 -13.290 327 HD3 LYS 50 3HD LYS 50 0.802 24.104 -12.959 328 HE2 LYS 50 2HE LYS 50 1.262 23.433 -15.038 329 HE3 LYS 50 3HE LYS 50 -0.026 22.230 -15.018 330 HZ1 LYS 50 3HZ LYS 50 -0.369 23.924 -16.725 331 HZ2 LYS 50 1HZ LYS 50 -0.407 25.129 -15.539 332 HZ3 LYS 50 2HZ LYS 50 -1.612 23.943 -15.579 333 H ILE 51 H ILE 51 -1.332 19.116 -10.624 334 HA ILE 51 HA ILE 51 1.120 17.607 -11.226 335 HB ILE 51 HB ILE 51 -0.833 16.986 -9.430 336 HG12 ILE 51 2HG1 ILE 51 1.354 15.956 -9.487 337 HG13 ILE 51 3HG1 ILE 51 0.134 14.688 -9.484 338 HG21 ILE 51 1HG2 ILE 51 -2.439 16.635 -11.289 339 HG22 ILE 51 2HG2 ILE 51 -1.416 15.323 -11.873 340 HG23 ILE 51 3HG2 ILE 51 -2.190 15.201 -10.293 341 HD11 ILE 51 3HD1 ILE 51 1.997 15.527 -11.641 342 HD12 ILE 51 1HD1 ILE 51 1.569 13.911 -11.078 343 HD13 ILE 51 2HD1 ILE 51 0.440 14.824 -12.080 344 H THR 52 H THR 52 1.383 16.588 -13.141 345 HA THR 52 HA THR 52 -0.863 16.627 -15.044 346 HB THR 52 HB THR 52 0.474 18.411 -15.814 347 HG1 THR 52 HG1 THR 52 1.279 17.567 -17.791 348 HG21 THR 52 3HG2 THR 52 2.452 18.035 -14.455 349 HG22 THR 52 1HG2 THR 52 2.914 18.222 -16.146 350 HG23 THR 52 2HG2 THR 52 2.872 16.617 -15.416 351 H ALA 53 H ALA 53 2.205 15.176 -14.085 352 HA ALA 53 HA ALA 53 1.603 12.834 -15.756 353 HB1 ALA 53 1HB ALA 53 3.747 13.279 -16.322 354 HB2 ALA 53 2HB ALA 53 4.104 14.077 -14.790 355 HB3 ALA 53 3HB ALA 53 4.080 12.316 -14.882 356 H GLY 54 H GLY 54 -0.036 12.114 -14.240 357 HA2 GLY 54 2HA GLY 54 0.576 10.007 -12.678 358 HA3 GLY 54 3HA GLY 54 0.805 11.355 -11.573 359 H SER 55 H SER 55 -0.879 10.698 -10.226 360 HA SER 55 HA SER 55 -3.432 11.738 -10.874 361 HB2 SER 55 2HB SER 55 -4.653 9.506 -10.629 362 HB3 SER 55 3HB SER 55 -3.832 9.786 -12.164 363 HG SER 55 HG SER 55 -3.070 7.855 -11.669 364 H VAL 56 H VAL 56 -4.844 11.784 -9.083 365 HA VAL 56 HA VAL 56 -3.996 10.539 -6.599 366 HB VAL 56 HB VAL 56 -4.021 12.664 -5.342 367 HG11 VAL 56 1HG1 VAL 56 -1.896 11.707 -6.030 368 HG12 VAL 56 2HG1 VAL 56 -1.997 12.551 -7.576 369 HG13 VAL 56 3HG1 VAL 56 -1.822 13.468 -6.080 370 HG21 VAL 56 3HG2 VAL 56 -3.508 14.628 -7.187 371 HG22 VAL 56 1HG2 VAL 56 -4.798 13.703 -7.956 372 HG23 VAL 56 2HG2 VAL 56 -5.040 14.386 -6.348 373 H ASP 57 H ASP 57 -5.568 11.084 -4.801 374 HA ASP 57 HA ASP 57 -8.269 11.530 -5.887 375 HB2 ASP 57 2HB ASP 57 -7.237 9.154 -4.714 376 HB3 ASP 57 3HB ASP 57 -8.400 9.843 -3.584 377 H GLN 58 H GLN 58 -9.056 13.344 -5.062 378 HA GLN 58 HA GLN 58 -8.598 13.901 -2.210 379 HB2 GLN 58 2HB GLN 58 -8.680 16.368 -2.906 380 HB3 GLN 58 3HB GLN 58 -7.204 15.475 -3.249 381 HG2 GLN 58 2HG GLN 58 -7.681 15.343 -5.537 382 HG3 GLN 58 3HG GLN 58 -9.369 15.789 -5.296 383 HE21 GLN 58 1HE2 GLN 58 -7.260 16.960 -6.996 384 HE22 GLN 58 2HE2 GLN 58 -7.189 18.629 -6.556 385 H SER 59 H SER 59 -10.708 12.741 -2.132 386 HA SER 59 HA SER 59 -12.990 14.307 -3.061 387 HB2 SER 59 2HB SER 59 -13.165 11.712 -1.545 388 HB3 SER 59 3HB SER 59 -14.318 12.400 -2.688 389 HG SER 59 HG SER 59 -13.340 11.108 -4.036 390 H ASP 60 H ASP 60 -11.029 14.492 -0.515 391 HA ASP 60 HA ASP 60 -13.177 15.041 1.421 392 HB2 ASP 60 2HB ASP 60 -10.427 13.994 1.675 393 HB3 ASP 60 3HB ASP 60 -10.907 15.158 2.907 394 H GLN 61 H GLN 61 -10.927 16.505 -0.624 395 HA GLN 61 HA GLN 61 -10.099 18.756 0.774 396 HB2 GLN 61 2HB GLN 61 -9.867 19.838 -1.434 397 HB3 GLN 61 3HB GLN 61 -9.204 18.209 -1.413 398 HG2 GLN 61 2HG GLN 61 -10.339 18.322 -3.430 399 HG3 GLN 61 3HG GLN 61 -11.462 17.479 -2.364 400 HE21 GLN 61 1HE2 GLN 61 -10.662 20.901 -2.855 401 HE22 GLN 61 2HE2 GLN 61 -12.283 21.413 -3.161 402 H SER 62 H SER 62 -10.869 21.061 0.003 403 HA SER 62 HA SER 62 -13.775 21.245 -0.129 404 HB2 SER 62 2HB SER 62 -12.535 21.375 2.335 405 HB3 SER 62 3HB SER 62 -12.692 23.073 1.886 406 HG SER 62 HG SER 62 -14.867 21.296 1.634 407 H PHE 63 H PHE 63 -10.673 22.938 0.010 408 HA PHE 63 HA PHE 63 -11.525 25.434 -0.910 409 HB2 PHE 63 2HB PHE 63 -9.256 24.848 0.046 410 HB3 PHE 63 3HB PHE 63 -8.850 24.178 -1.531 411 HD1 PHE 63 HD1 PHE 63 -9.254 25.811 -3.555 412 HD2 PHE 63 HD2 PHE 63 -8.715 27.035 0.486 413 HE1 PHE 63 HE1 PHE 63 -8.563 28.044 -4.327 414 HE2 PHE 63 HE2 PHE 63 -8.025 29.269 -0.279 415 HZ PHE 63 HZ PHE 63 -7.949 29.776 -2.688 416 H LEU 64 H LEU 64 -9.716 23.073 -2.875 417 HA LEU 64 HA LEU 64 -10.361 24.226 -5.339 418 HB2 LEU 64 2HB LEU 64 -9.801 21.303 -4.920 419 HB3 LEU 64 3HB LEU 64 -9.463 22.280 -6.348 420 HG LEU 64 HG LEU 64 -8.050 22.464 -3.688 421 HD11 LEU 64 1HD1 LEU 64 -7.377 21.197 -6.314 422 HD12 LEU 64 2HD1 LEU 64 -7.236 20.536 -4.685 423 HD13 LEU 64 3HD1 LEU 64 -6.105 21.772 -5.235 424 HD21 LEU 64 3HD2 LEU 64 -7.518 23.938 -6.265 425 HD22 LEU 64 1HD2 LEU 64 -6.581 24.056 -4.775 426 HD23 LEU 64 2HD2 LEU 64 -8.245 24.639 -4.819 427 H ASP 65 H ASP 65 -11.363 22.373 -7.021 428 HA ASP 65 HA ASP 65 -13.682 21.028 -6.183 429 HB2 ASP 65 2HB ASP 65 -14.080 23.761 -6.173 430 HB3 ASP 65 3HB ASP 65 -14.705 23.277 -7.747 431 H ASP 66 H ASP 66 -15.307 21.219 -8.387 432 HA ASP 66 HA ASP 66 -14.064 19.574 -10.244 433 HB2 ASP 66 2HB ASP 66 -16.627 20.511 -9.844 434 HB3 ASP 66 3HB ASP 66 -16.193 21.217 -11.398 435 H ASP 67 H ASP 67 -13.973 23.004 -9.933 436 HA ASP 67 HA ASP 67 -13.060 23.457 -12.645 437 HB2 ASP 67 2HB ASP 67 -14.447 25.062 -11.102 438 HB3 ASP 67 3HB ASP 67 -12.864 25.510 -10.473 439 H GLN 68 H GLN 68 -11.669 23.997 -9.403 440 HA GLN 68 HA GLN 68 -9.066 24.537 -10.270 441 HB2 GLN 68 2HB GLN 68 -10.378 23.902 -7.723 442 HB3 GLN 68 3HB GLN 68 -8.690 23.415 -7.798 443 HG2 GLN 68 2HG GLN 68 -8.492 25.532 -6.972 444 HG3 GLN 68 3HG GLN 68 -8.336 25.838 -8.701 445 HE21 GLN 68 1HE2 GLN 68 -10.007 26.850 -9.799 446 HE22 GLN 68 2HE2 GLN 68 -11.279 27.684 -8.980 447 H ILE 69 H ILE 69 -10.334 21.502 -8.886 448 HA ILE 69 HA ILE 69 -8.102 19.921 -9.218 449 HB ILE 69 HB ILE 69 -10.967 19.036 -9.577 450 HG12 ILE 69 2HG1 ILE 69 -9.245 19.165 -7.092 451 HG13 ILE 69 3HG1 ILE 69 -10.609 20.218 -7.453 452 HG21 ILE 69 1HG2 ILE 69 -9.400 17.370 -10.373 453 HG22 ILE 69 2HG2 ILE 69 -8.484 17.479 -8.871 454 HG23 ILE 69 3HG2 ILE 69 -10.126 16.837 -8.857 455 HD11 ILE 69 3HD1 ILE 69 -10.686 17.261 -6.916 456 HD12 ILE 69 1HD1 ILE 69 -11.311 18.555 -5.894 457 HD13 ILE 69 2HD1 ILE 69 -12.072 18.213 -7.448 458 H GLU 70 H GLU 70 -10.409 20.981 -11.612 459 HA GLU 70 HA GLU 70 -9.797 19.133 -13.646 460 HB2 GLU 70 2HB GLU 70 -11.361 21.529 -13.366 461 HB3 GLU 70 3HB GLU 70 -10.449 21.593 -14.867 462 HG2 GLU 70 2HG GLU 70 -11.643 18.998 -14.500 463 HG3 GLU 70 3HG GLU 70 -12.854 20.276 -14.408 464 H ALA 71 H ALA 71 -8.562 22.417 -13.048 465 HA ALA 71 HA ALA 71 -6.827 22.652 -15.178 466 HB1 ALA 71 1HB ALA 71 -5.637 24.300 -13.893 467 HB2 ALA 71 2HB ALA 71 -7.362 24.445 -13.554 468 HB3 ALA 71 3HB ALA 71 -6.297 23.660 -12.388 469 H GLY 72 H GLY 72 -6.326 21.001 -12.094 470 HA2 GLY 72 2HA GLY 72 -4.887 18.933 -12.464 471 HA3 GLY 72 3HA GLY 72 -3.704 20.075 -13.083 472 H TYR 73 H TYR 73 -5.157 21.758 -10.740 473 HA TYR 73 HA TYR 73 -2.976 21.413 -8.917 474 HB2 TYR 73 2HB TYR 73 -5.497 22.980 -8.387 475 HB3 TYR 73 3HB TYR 73 -3.895 23.241 -7.707 476 HD1 TYR 73 HD1 TYR 73 -2.031 23.599 -9.660 477 HD2 TYR 73 HD2 TYR 73 -6.176 24.516 -9.958 478 HE1 TYR 73 HE1 TYR 73 -1.537 25.226 -11.437 479 HE2 TYR 73 HE2 TYR 73 -5.693 26.145 -11.736 480 HH TYR 73 HH TYR 73 -2.800 26.270 -13.379 481 H VAL 74 H VAL 74 -2.845 20.018 -7.297 482 HA VAL 74 HA VAL 74 -5.338 18.954 -6.140 483 HB VAL 74 HB VAL 74 -4.270 16.795 -5.822 484 HG11 VAL 74 1HG1 VAL 74 -3.873 16.246 -8.313 485 HG12 VAL 74 2HG1 VAL 74 -5.463 16.832 -7.817 486 HG13 VAL 74 3HG1 VAL 74 -4.320 17.929 -8.594 487 HG21 VAL 74 3HG2 VAL 74 -1.977 17.462 -5.533 488 HG22 VAL 74 1HG2 VAL 74 -2.072 16.332 -6.883 489 HG23 VAL 74 2HG2 VAL 74 -1.898 18.060 -7.190 490 H LEU 75 H LEU 75 -5.491 18.975 -3.972 491 HA LEU 75 HA LEU 75 -3.540 20.401 -2.454 492 HB2 LEU 75 2HB LEU 75 -6.045 18.922 -1.686 493 HB3 LEU 75 3HB LEU 75 -5.034 19.772 -0.519 494 HG LEU 75 HG LEU 75 -6.614 20.971 -2.788 495 HD11 LEU 75 1HD1 LEU 75 -7.588 22.254 -0.815 496 HD12 LEU 75 2HD1 LEU 75 -6.835 21.029 0.205 497 HD13 LEU 75 3HD1 LEU 75 -8.051 20.560 -0.983 498 HD21 LEU 75 3HD2 LEU 75 -4.482 22.115 -2.634 499 HD22 LEU 75 1HD2 LEU 75 -4.679 22.296 -0.891 500 HD23 LEU 75 2HD2 LEU 75 -5.767 23.139 -1.993 501 H THR 76 H THR 76 -1.696 19.550 -1.774 502 HA THR 76 HA THR 76 -1.171 16.774 -1.666 503 HB THR 76 HB THR 76 0.969 17.354 -0.691 504 HG1 THR 76 HG1 THR 76 1.180 19.814 -0.365 505 HG21 THR 76 3HG2 THR 76 0.116 19.396 -2.747 506 HG22 THR 76 1HG2 THR 76 0.703 17.768 -3.083 507 HG23 THR 76 2HG2 THR 76 1.781 18.963 -2.361 508 H CYS 77 H CYS 77 -2.580 18.957 0.576 509 HA CYS 77 HA CYS 77 -1.967 17.410 2.930 510 HB2 CYS 77 2HB CYS 77 -3.337 18.999 4.118 511 HB3 CYS 77 3HB CYS 77 -2.323 19.880 2.981 512 H VAL 78 H VAL 78 -4.101 17.044 0.393 513 HA VAL 78 HA VAL 78 -5.569 14.994 1.820 514 HB VAL 78 HB VAL 78 -7.777 15.880 0.926 515 HG11 VAL 78 1HG1 VAL 78 -7.032 15.931 3.317 516 HG12 VAL 78 2HG1 VAL 78 -6.489 17.588 3.046 517 HG13 VAL 78 3HG1 VAL 78 -8.197 17.180 2.880 518 HG21 VAL 78 3HG2 VAL 78 -6.113 18.380 0.657 519 HG22 VAL 78 1HG2 VAL 78 -6.984 17.532 -0.621 520 HG23 VAL 78 2HG2 VAL 78 -7.876 18.356 0.658 521 H ALA 79 H ALA 79 -3.731 14.588 -0.120 522 HA ALA 79 HA ALA 79 -5.366 13.872 -2.467 523 HB1 ALA 79 1HB ALA 79 -2.610 15.004 -2.303 524 HB2 ALA 79 2HB ALA 79 -3.038 13.945 -3.647 525 HB3 ALA 79 3HB ALA 79 -3.942 15.435 -3.376 526 H TYR 80 H TYR 80 -5.386 11.785 -3.046 527 HA TYR 80 HA TYR 80 -3.576 9.960 -1.611 528 HB2 TYR 80 2HB TYR 80 -6.295 9.416 -2.820 529 HB3 TYR 80 3HB TYR 80 -5.290 8.224 -2.005 530 HD1 TYR 80 HD1 TYR 80 -4.424 9.230 0.418 531 HD2 TYR 80 HD2 TYR 80 -8.071 10.160 -1.567 532 HE1 TYR 80 HE1 TYR 80 -5.433 9.849 2.574 533 HE2 TYR 80 HE2 TYR 80 -9.089 10.782 0.584 534 HH TYR 80 HH TYR 80 -8.553 11.379 2.771 535 HA PRO 81 HA PRO 81 -2.091 9.722 -5.944 536 HB2 PRO 81 2HB PRO 81 0.482 9.207 -5.249 537 HB3 PRO 81 3HB PRO 81 -0.180 10.843 -5.335 538 HG2 PRO 81 2HG PRO 81 0.240 9.094 -2.942 539 HG3 PRO 81 3HG PRO 81 0.571 10.826 -3.135 540 HD2 PRO 81 2HD PRO 81 -1.638 9.895 -1.875 541 HD3 PRO 81 3HD PRO 81 -1.633 11.412 -2.797 542 H THR 82 H THR 82 -3.358 7.760 -6.107 543 HA THR 82 HA THR 82 -2.677 5.300 -4.981 544 HB THR 82 HB THR 82 -3.721 5.016 -7.682 545 HG1 THR 82 HG1 THR 82 -5.717 6.155 -7.121 546 HG21 THR 82 3HG2 THR 82 -3.946 3.379 -5.827 547 HG22 THR 82 1HG2 THR 82 -5.492 3.837 -6.539 548 HG23 THR 82 2HG2 THR 82 -4.997 4.521 -4.990 549 H SER 83 H SER 83 -1.181 7.076 -7.516 550 HA SER 83 HA SER 83 0.774 4.934 -7.856 551 HB2 SER 83 2HB SER 83 0.723 5.507 -10.394 552 HB3 SER 83 3HB SER 83 -0.509 4.425 -9.744 553 HG SER 83 HG SER 83 -0.738 7.047 -10.665 554 H ASP 84 H ASP 84 2.677 5.749 -9.196 555 HA ASP 84 HA ASP 84 3.875 7.903 -7.961 556 HB2 ASP 84 2HB ASP 84 5.345 6.490 -9.090 557 HB3 ASP 84 3HB ASP 84 4.385 6.509 -10.567 558 H CYS 85 H CYS 85 4.136 10.063 -8.406 559 HA CYS 85 HA CYS 85 3.030 11.262 -10.773 560 HB2 CYS 85 2HB CYS 85 1.471 12.755 -9.464 561 HB3 CYS 85 3HB CYS 85 0.960 11.077 -9.601 562 HG CYS 85 HG CYS 85 0.447 12.300 -7.019 563 H THR 86 H THR 86 3.574 13.483 -10.992 564 HA THR 86 HA THR 86 5.737 14.319 -9.177 565 HB THR 86 HB THR 86 5.282 15.077 -12.070 566 HG1 THR 86 HG1 THR 86 7.394 13.916 -12.191 567 HG21 THR 86 3HG2 THR 86 7.860 15.778 -11.368 568 HG22 THR 86 1HG2 THR 86 6.908 16.265 -9.966 569 HG23 THR 86 2HG2 THR 86 6.503 16.886 -11.566 570 H ILE 87 H ILE 87 4.132 15.241 -7.736 571 HA ILE 87 HA ILE 87 2.437 17.370 -8.605 572 HB ILE 87 HB ILE 87 3.307 16.626 -5.810 573 HG12 ILE 87 2HG1 ILE 87 0.560 16.048 -6.465 574 HG13 ILE 87 3HG1 ILE 87 1.631 15.274 -7.629 575 HG21 ILE 87 1HG2 ILE 87 2.529 18.917 -5.902 576 HG22 ILE 87 2HG2 ILE 87 1.076 18.414 -6.764 577 HG23 ILE 87 3HG2 ILE 87 1.330 17.907 -5.094 578 HD11 ILE 87 3HD1 ILE 87 2.242 15.011 -4.733 579 HD12 ILE 87 1HD1 ILE 87 0.922 14.065 -5.420 580 HD13 ILE 87 2HD1 ILE 87 2.556 13.896 -6.062 581 H GLU 88 H GLU 88 2.929 19.438 -8.911 582 HA GLU 88 HA GLU 88 5.578 20.385 -8.118 583 HB2 GLU 88 2HB GLU 88 3.513 21.395 -10.060 584 HB3 GLU 88 3HB GLU 88 4.879 22.386 -9.571 585 HG2 GLU 88 2HG GLU 88 6.419 20.695 -10.413 586 HG3 GLU 88 3HG GLU 88 5.055 19.688 -10.893 587 H THR 89 H THR 89 5.629 21.168 -6.107 588 HA THR 89 HA THR 89 3.406 22.339 -4.788 589 HB THR 89 HB THR 89 4.869 22.784 -2.961 590 HG1 THR 89 HG1 THR 89 7.161 22.664 -3.241 591 HG21 THR 89 3HG2 THR 89 5.579 20.648 -2.466 592 HG22 THR 89 1HG2 THR 89 6.196 20.360 -4.093 593 HG23 THR 89 2HG2 THR 89 4.459 20.326 -3.790 594 H HIS 90 H HIS 90 3.980 24.578 -3.592 595 HA HIS 90 HA HIS 90 3.998 26.843 -3.810 596 HB2 HIS 90 2HB HIS 90 6.149 26.122 -5.802 597 HB3 HIS 90 3HB HIS 90 5.762 27.784 -5.368 598 HD1 HIS 90 HD1 HIS 90 6.175 24.763 -3.097 599 HD2 HIS 90 HD2 HIS 90 7.829 28.513 -3.776 600 HE1 HIS 90 HE1 HIS 90 7.878 25.087 -1.275 601 H LYS 91 H LYS 91 2.169 25.229 -5.448 602 HA LYS 91 HA LYS 91 1.765 27.070 -7.712 603 HB2 LYS 91 2HB LYS 91 1.266 24.157 -7.352 604 HB3 LYS 91 3HB LYS 91 0.141 25.056 -8.362 605 HG2 LYS 91 2HG LYS 91 3.125 24.958 -8.756 606 HG3 LYS 91 3HG LYS 91 1.941 24.005 -9.655 607 HD2 LYS 91 2HD LYS 91 0.883 26.174 -10.360 608 HD3 LYS 91 3HD LYS 91 2.267 27.002 -9.643 609 HE2 LYS 91 2HE LYS 91 3.713 25.525 -11.129 610 HE3 LYS 91 3HE LYS 91 2.225 25.109 -11.979 611 HZ1 LYS 91 3HZ LYS 91 3.095 27.912 -11.584 612 HZ2 LYS 91 1HZ LYS 91 1.927 27.323 -12.657 613 HZ3 LYS 91 2HZ LYS 91 3.565 27.000 -12.928 614 H GLU 92 H GLU 92 0.869 28.425 -5.845 615 HA GLU 92 HA GLU 92 -2.015 27.883 -5.645 616 HB2 GLU 92 2HB GLU 92 -2.087 28.561 -3.368 617 HB3 GLU 92 3HB GLU 92 -0.786 27.386 -3.499 618 HG2 GLU 92 2HG GLU 92 -0.409 30.371 -3.477 619 HG3 GLU 92 3HG GLU 92 -0.220 29.315 -2.078 620 H GLU 93 H GLU 93 -0.269 29.626 -7.364 621 HA GLU 93 HA GLU 93 -1.315 32.264 -6.595 622 HB2 GLU 93 2HB GLU 93 1.186 31.879 -7.036 623 HB3 GLU 93 3HB GLU 93 0.742 31.751 -8.732 624 HG2 GLU 93 2HG GLU 93 0.662 33.950 -8.947 625 HG3 GLU 93 3HG GLU 93 -0.428 34.101 -7.569 626 H ASP 94 H ASP 94 -1.737 29.705 -8.784 627 HA ASP 94 HA ASP 94 -2.711 31.166 -11.023 628 HB2 ASP 94 2HB ASP 94 -2.725 28.313 -10.161 629 HB3 ASP 94 3HB ASP 94 -3.871 28.802 -11.406 630 H LEU 95 H LEU 95 -4.045 30.332 -7.983 631 HA LEU 95 HA LEU 95 -6.794 30.696 -8.902 632 HB2 LEU 95 2HB LEU 95 -6.008 30.256 -6.052 633 HB3 LEU 95 3HB LEU 95 -7.498 29.806 -6.878 634 HG LEU 95 HG LEU 95 -4.814 28.448 -7.055 635 HD11 LEU 95 1HD1 LEU 95 -6.166 27.909 -5.090 636 HD12 LEU 95 2HD1 LEU 95 -6.035 26.532 -6.184 637 HD13 LEU 95 3HD1 LEU 95 -7.519 27.482 -6.138 638 HD21 LEU 95 3HD2 LEU 95 -6.960 28.566 -8.993 639 HD22 LEU 95 1HD2 LEU 95 -6.677 26.919 -8.429 640 HD23 LEU 95 2HD2 LEU 95 -5.353 27.851 -9.130 641 H TYR 96 H TYR 96 -4.341 32.251 -6.928 642 HA TYR 96 HA TYR 96 -6.145 34.379 -6.130 643 HB2 TYR 96 2HB TYR 96 -3.243 33.793 -5.569 644 HB3 TYR 96 3HB TYR 96 -3.997 35.309 -5.088 645 HD1 TYR 96 HD2 TYR 96 -4.177 31.631 -4.650 646 HD2 TYR 96 HD1 TYR 96 -5.298 35.443 -3.129 647 HE1 TYR 96 HE2 TYR 96 -4.998 30.562 -2.593 648 HE2 TYR 96 HE1 TYR 96 -6.121 34.385 -1.067 649 HH TYR 96 HH TYR 96 -6.880 32.243 -0.272
Contact the webmaster for help, if required. Sunday, May 19, 2024 8:40:42 AM GMT (wattos1)