NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586880 | 2mv1 | 25238 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 1HT ASP 1 10.819 -2.598 4.417 2 H2 ASP 1 2HT ASP 1 12.302 -2.386 3.583 3 H3 ASP 1 3HT ASP 1 11.325 -3.683 3.230 4 HA ASP 1 HA ASP 1 9.682 -2.399 2.263 5 HB2 ASP 1 2HB ASP 1 9.879 0.023 1.988 6 HB3 ASP 1 1HB ASP 1 9.874 -0.376 3.696 7 H SER 2 H SER 2 9.762 -2.037 0.100 8 HA SER 2 HA SER 2 12.194 -1.434 -1.197 9 HB2 SER 2 2HB SER 2 11.911 -3.556 -2.688 10 HB3 SER 2 1HB SER 2 12.819 -3.630 -1.175 11 HG SER 2 HG SER 2 11.351 -4.872 -0.350 12 H TRP 3 H TRP 3 11.528 0.090 -2.306 13 HA TRP 3 HA TRP 3 8.827 0.429 -3.175 14 HB2 TRP 3 2HB TRP 3 11.232 2.092 -3.929 15 HB3 TRP 3 1HB TRP 3 9.556 2.534 -4.186 16 HD1 TRP 3 HD TRP 3 11.562 4.342 -2.523 17 HE1 TRP 3 1HE TRP 3 11.048 4.933 -0.067 18 HE3 TRP 3 3HE TRP 3 8.332 0.494 -1.334 19 HZ2 TRP 3 2HZ TRP 3 9.540 3.927 2.057 20 HZ3 TRP 3 3HZ TRP 3 7.429 0.406 0.903 21 HH2 TRP 3 HH TRP 3 8.013 2.087 2.589 22 H MET 4 H MET 4 11.389 -1.160 -4.669 23 HA MET 4 HA MET 4 10.467 -0.686 -7.340 24 HB2 MET 4 2HB MET 4 12.814 -1.349 -6.989 25 HB3 MET 4 1HB MET 4 12.281 -2.894 -6.339 26 HG2 MET 4 2HG MET 4 11.311 -3.497 -8.483 27 HG3 MET 4 1HG MET 4 11.765 -1.935 -9.147 28 HE1 MET 4 3HE MET 4 14.080 -4.478 -11.016 29 HE2 MET 4 1HE MET 4 12.836 -3.243 -11.188 30 HE3 MET 4 2HE MET 4 12.437 -4.799 -10.459 31 H GLU 5 H GLU 5 9.716 -2.961 -4.831 32 HA GLU 5 HA GLU 5 7.714 -4.025 -6.612 33 HB2 GLU 5 2HB GLU 5 9.653 -5.737 -5.080 34 HB3 GLU 5 1HB GLU 5 8.127 -6.347 -5.695 35 HG2 GLU 5 2HG GLU 5 8.842 -5.808 -7.977 36 HG3 GLU 5 1HG GLU 5 10.364 -5.183 -7.345 37 H GLU 6 H GLU 6 8.372 -5.553 -3.607 38 HA GLU 6 HA GLU 6 7.079 -6.109 -1.964 39 HB2 GLU 6 2HB GLU 6 6.882 -3.172 -1.823 40 HB3 GLU 6 1HB GLU 6 5.875 -4.122 -0.751 41 HG2 GLU 6 2HG GLU 6 8.055 -5.277 -0.084 42 HG3 GLU 6 1HG GLU 6 8.857 -3.931 -0.896 43 H VAL 7 H VAL 7 5.446 -7.194 -1.759 44 HA VAL 7 HA VAL 7 2.891 -6.109 -2.586 45 HB VAL 7 HB VAL 7 3.366 -7.809 -4.282 46 HG11 VAL 7 1HG1 VAL 7 3.806 -10.151 -3.736 47 HG12 VAL 7 2HG1 VAL 7 3.885 -9.730 -2.023 48 HG13 VAL 7 3HG1 VAL 7 5.077 -9.079 -3.148 49 HG21 VAL 7 3HG2 VAL 7 1.504 -9.405 -3.900 50 HG22 VAL 7 1HG2 VAL 7 1.060 -7.735 -3.537 51 HG23 VAL 7 2HG2 VAL 7 1.416 -8.856 -2.229 52 H ILE 8 H ILE 8 1.614 -5.930 -0.951 53 HA ILE 8 HA ILE 8 2.332 -7.480 1.431 54 HB ILE 8 HB ILE 8 1.635 -5.635 2.827 55 HG12 ILE 8 2HG1 ILE 8 1.098 -4.204 0.230 56 HG13 ILE 8 1HG1 ILE 8 -0.098 -4.692 1.404 57 HG21 ILE 8 1HG2 ILE 8 3.611 -4.764 0.722 58 HG22 ILE 8 2HG2 ILE 8 3.962 -5.697 2.176 59 HG23 ILE 8 3HG2 ILE 8 3.425 -4.022 2.314 60 HD11 ILE 8 3HD1 ILE 8 2.028 -2.609 1.874 61 HD12 ILE 8 1HD1 ILE 8 0.809 -3.125 3.039 62 HD13 ILE 8 2HD1 ILE 8 0.321 -2.297 1.560 63 H LYS 9 H LYS 9 0.619 -7.657 2.926 64 HA LYS 9 HA LYS 9 -2.048 -7.799 1.731 65 HB2 LYS 9 2HB LYS 9 -0.684 -9.948 3.362 66 HB3 LYS 9 1HB LYS 9 -2.419 -9.917 3.107 67 HG2 LYS 9 2HG LYS 9 -2.104 -10.169 0.718 68 HG3 LYS 9 1HG LYS 9 -0.355 -10.071 0.917 69 HD2 LYS 9 2HD LYS 9 -1.118 -12.387 0.610 70 HD3 LYS 9 1HD LYS 9 -0.357 -12.155 2.178 71 HE2 LYS 9 2HE LYS 9 -2.361 -13.559 2.340 72 HE3 LYS 9 1HE LYS 9 -2.559 -12.065 3.243 73 HZ1 LYS 9 3HZ LYS 9 -4.502 -12.721 1.942 74 HZ2 LYS 9 1HZ LYS 9 -3.653 -12.523 0.508 75 HZ3 LYS 9 2HZ LYS 9 -3.972 -11.203 1.551 76 H LEU 10 H LEU 10 -2.254 -5.793 2.836 77 HA LEU 10 HA LEU 10 -2.648 -6.035 5.738 78 HB2 LEU 10 2HB LEU 10 -1.472 -3.783 4.152 79 HB3 LEU 10 1HB LEU 10 -2.358 -3.446 5.604 80 HG LEU 10 HG LEU 10 -0.826 -4.680 6.951 81 HD11 LEU 10 1HD1 LEU 10 0.714 -5.196 4.415 82 HD12 LEU 10 2HD1 LEU 10 -0.138 -6.423 5.353 83 HD13 LEU 10 3HD1 LEU 10 1.279 -5.613 6.031 84 HD21 LEU 10 3HD2 LEU 10 1.182 -3.288 6.676 85 HD22 LEU 10 1HD2 LEU 10 -0.312 -2.361 6.546 86 HD23 LEU 10 2HD2 LEU 10 0.589 -2.786 5.097 87 H CYS 11 H CYS 11 -4.034 -4.161 6.457 88 HA CYS 11 HA CYS 11 -6.256 -3.682 4.621 89 HB2 CYS 11 2HB CYS 11 -6.439 -5.014 7.227 90 HB3 CYS 11 1HB CYS 11 -7.875 -4.610 6.279 91 H GLY 12 H GLY 12 -7.779 -2.190 5.642 92 HA2 GLY 12 2HA GLY 12 -8.394 -0.316 6.831 93 HA3 GLY 12 1HA GLY 12 -7.945 -1.300 8.185 94 H ARG 13 H ARG 13 -6.726 -0.411 9.449 95 HA ARG 13 HA ARG 13 -5.546 2.152 8.933 96 HB2 ARG 13 2HB ARG 13 -5.016 2.242 11.262 97 HB3 ARG 13 1HB ARG 13 -6.610 1.530 11.089 98 HG2 ARG 13 2HG ARG 13 -5.530 -0.713 11.336 99 HG3 ARG 13 1HG ARG 13 -4.040 0.132 11.743 100 HD2 ARG 13 2HD ARG 13 -5.144 -0.457 13.786 101 HD3 ARG 13 1HD ARG 13 -5.278 1.282 13.560 102 HE ARG 13 HE ARG 13 -7.510 1.034 12.947 103 HH11 ARG 13 1HH1 ARG 13 -6.052 -1.989 14.112 104 HH12 ARG 13 2HH1 ARG 13 -7.527 -2.698 14.580 105 HH21 ARG 13 1HH2 ARG 13 -9.580 0.005 13.592 106 HH22 ARG 13 2HH2 ARG 13 -9.539 -1.552 14.302 107 H GLU 14 H GLU 14 -4.311 -1.137 8.982 108 HA GLU 14 HA GLU 14 -1.554 -0.339 9.284 109 HB2 GLU 14 2HB GLU 14 -2.860 -2.874 8.300 110 HB3 GLU 14 1HB GLU 14 -1.128 -2.667 8.461 111 HG2 GLU 14 2HG GLU 14 -1.430 -2.300 10.871 112 HG3 GLU 14 1HG GLU 14 -3.160 -2.572 10.677 113 H LEU 15 H LEU 15 -3.850 -0.862 6.820 114 HA LEU 15 HA LEU 15 -2.154 -0.872 4.566 115 HB2 LEU 15 2HB LEU 15 -4.715 -1.370 4.908 116 HB3 LEU 15 1HB LEU 15 -4.880 0.328 4.527 117 HG LEU 15 HG LEU 15 -3.664 -0.126 2.384 118 HD11 LEU 15 1HD1 LEU 15 -2.541 -2.159 3.032 119 HD12 LEU 15 2HD1 LEU 15 -3.654 -2.529 1.704 120 HD13 LEU 15 3HD1 LEU 15 -4.089 -2.916 3.377 121 HD21 LEU 15 3HD2 LEU 15 -6.103 0.065 2.495 122 HD22 LEU 15 1HD2 LEU 15 -6.207 -1.656 2.879 123 HD23 LEU 15 2HD2 LEU 15 -5.589 -1.137 1.307 124 H VAL 16 H VAL 16 -3.900 1.647 6.312 125 HA VAL 16 HA VAL 16 -3.024 3.840 4.690 126 HB VAL 16 HB VAL 16 -4.027 3.880 7.566 127 HG11 VAL 16 1HG1 VAL 16 -4.609 6.213 7.141 128 HG12 VAL 16 2HG1 VAL 16 -3.912 6.102 5.524 129 HG13 VAL 16 3HG1 VAL 16 -2.875 5.950 6.943 130 HG21 VAL 16 3HG2 VAL 16 -5.665 2.859 6.103 131 HG22 VAL 16 1HG2 VAL 16 -5.537 4.214 4.981 132 HG23 VAL 16 2HG2 VAL 16 -6.204 4.468 6.592 133 H ARG 17 H ARG 17 -1.850 2.393 7.685 134 HA ARG 17 HA ARG 17 0.256 4.147 8.166 135 HB2 ARG 17 2HB ARG 17 -0.022 1.218 8.722 136 HB3 ARG 17 1HB ARG 17 1.417 2.066 9.210 137 HG2 ARG 17 2HG ARG 17 -0.126 3.618 10.505 138 HG3 ARG 17 1HG ARG 17 -1.398 2.437 10.174 139 HD2 ARG 17 2HD ARG 17 -0.380 2.019 12.350 140 HD3 ARG 17 1HD ARG 17 -0.035 0.695 11.232 141 HE ARG 17 HE ARG 17 2.079 2.398 10.983 142 HH11 ARG 17 1HH1 ARG 17 0.687 0.561 13.679 143 HH12 ARG 17 2HH1 ARG 17 2.139 0.527 14.577 144 HH21 ARG 17 1HH2 ARG 17 4.069 2.266 12.189 145 HH22 ARG 17 2HH2 ARG 17 4.103 1.501 13.703 146 H ALA 18 H ALA 18 0.176 1.310 6.163 147 HA ALA 18 HA ALA 18 2.861 1.416 5.280 148 HB1 ALA 18 1HB ALA 18 1.489 -0.598 5.043 149 HB2 ALA 18 2HB ALA 18 2.143 -0.098 3.483 150 HB3 ALA 18 3HB ALA 18 0.459 0.235 3.882 151 H GLN 19 H GLN 19 -0.108 2.804 4.065 152 HA GLN 19 HA GLN 19 0.817 3.911 1.676 153 HB2 GLN 19 2HB GLN 19 -1.296 4.712 3.607 154 HB3 GLN 19 1HB GLN 19 -1.121 5.634 2.161 155 HG2 GLN 19 2HG GLN 19 -1.414 3.364 0.989 156 HG3 GLN 19 1HG GLN 19 -1.964 2.785 2.562 157 HE21 GLN 19 1HE2 GLN 19 -2.660 4.636 -0.196 158 HE22 GLN 19 2HE2 GLN 19 -4.287 5.046 0.175 159 H ILE 20 H ILE 20 0.299 5.441 4.798 160 HA ILE 20 HA ILE 20 1.446 7.948 4.389 161 HB ILE 20 HB ILE 20 1.429 6.321 6.953 162 HG12 ILE 20 2HG1 ILE 20 -0.826 6.743 6.096 163 HG13 ILE 20 1HG1 ILE 20 -0.548 7.639 7.581 164 HG21 ILE 20 1HG2 ILE 20 1.695 8.441 8.169 165 HG22 ILE 20 2HG2 ILE 20 1.928 9.273 6.630 166 HG23 ILE 20 3HG2 ILE 20 3.090 8.055 7.159 167 HD11 ILE 20 3HD1 ILE 20 -0.510 8.755 4.784 168 HD12 ILE 20 1HD1 ILE 20 -0.190 9.676 6.254 169 HD13 ILE 20 2HD1 ILE 20 -1.781 8.966 5.983 170 H ALA 21 H ALA 21 2.988 4.977 5.494 171 HA ALA 21 HA ALA 21 5.556 6.073 5.796 172 HB1 ALA 21 1HB ALA 21 4.808 3.207 5.231 173 HB2 ALA 21 2HB ALA 21 4.868 3.955 6.827 174 HB3 ALA 21 3HB ALA 21 6.345 3.785 5.878 175 H ILE 22 H ILE 22 4.080 4.278 3.094 176 HA ILE 22 HA ILE 22 6.407 4.247 1.518 177 HB ILE 22 HB ILE 22 4.128 2.853 1.283 178 HG12 ILE 22 2HG1 ILE 22 6.088 2.295 -0.037 179 HG13 ILE 22 1HG1 ILE 22 4.647 2.249 -1.041 180 HG21 ILE 22 1HG2 ILE 22 2.695 3.483 -0.547 181 HG22 ILE 22 2HG2 ILE 22 3.530 5.036 -0.651 182 HG23 ILE 22 3HG2 ILE 22 2.628 4.622 0.803 183 HD11 ILE 22 3HD1 ILE 22 5.283 4.419 -2.002 184 HD12 ILE 22 1HD1 ILE 22 6.523 3.184 -2.245 185 HD13 ILE 22 2HD1 ILE 22 6.733 4.415 -1.001 186 H CYS 23 H CYS 23 3.726 6.530 1.625 187 HA CYS 23 HA CYS 23 4.712 7.949 -0.660 188 HB2 CYS 23 2HB CYS 23 2.261 7.656 0.038 189 HB3 CYS 23 1HB CYS 23 2.571 8.931 1.209 190 H GLY 24 H GLY 24 5.168 8.093 2.732 191 HA2 GLY 24 2HA GLY 24 6.187 10.799 2.687 192 HA3 GLY 24 1HA GLY 24 6.186 9.701 4.063 193 H MET 25 H MET 25 7.434 7.525 2.675 194 HA MET 25 HA MET 25 10.197 8.433 2.889 195 HB2 MET 25 2HB MET 25 8.954 5.706 2.738 196 HB3 MET 25 1HB MET 25 10.692 5.982 2.829 197 HG2 MET 25 2HG MET 25 10.410 7.011 5.005 198 HG3 MET 25 1HG MET 25 8.662 6.803 4.886 199 HE1 MET 25 3HE MET 25 12.124 4.979 5.083 200 HE2 MET 25 1HE MET 25 11.396 4.211 3.673 201 HE3 MET 25 2HE MET 25 11.641 3.284 5.152 202 H SER 26 H SER 26 8.747 9.154 0.560 203 HA SER 26 HA SER 26 9.576 7.402 -1.591 204 HB2 SER 26 2HB SER 26 8.333 10.151 -1.717 205 HB3 SER 26 1HB SER 26 8.474 8.999 -3.043 206 HG SER 26 HG SER 26 7.280 7.821 -0.914 207 H THR 27 H THR 27 11.507 8.913 0.192 208 HA THR 27 HA THR 27 12.899 10.798 -1.422 209 HB THR 27 HB THR 27 13.941 9.276 0.967 210 HG1 THR 27 1HG THR 27 12.041 11.343 0.725 211 HG21 THR 27 3HG2 THR 27 14.464 12.092 -0.028 212 HG22 THR 27 1HG2 THR 27 15.564 10.725 -0.204 213 HG23 THR 27 2HG2 THR 27 15.188 11.352 1.401 214 H TRP 28 H TRP 28 12.764 7.575 -1.203 215 HA TRP 28 HA TRP 28 15.341 7.093 -2.526 216 HB2 TRP 28 2HB TRP 28 14.893 5.697 -0.554 217 HB3 TRP 28 1HB TRP 28 13.403 5.125 -1.287 218 HD1 TRP 28 HD TRP 28 13.567 3.040 -2.789 219 HE1 TRP 28 1HE TRP 28 15.490 1.545 -3.605 220 HE3 TRP 28 3HE TRP 28 17.541 5.889 -1.304 221 HZ2 TRP 28 2HZ TRP 28 18.290 1.550 -3.631 222 HZ3 TRP 28 3HZ TRP 28 19.812 5.069 -1.767 223 HH2 TRP 28 HH TRP 28 20.178 2.944 -2.907 224 H SER 29 H SER 29 15.408 6.544 -4.608 225 HA SER 29 HA SER 29 12.896 6.314 -6.044 226 HB2 SER 29 2HB SER 29 15.736 6.581 -7.082 227 HB3 SER 29 1HB SER 29 14.267 6.648 -8.058 228 HG SER 29 HG SER 29 15.127 8.467 -6.065 229 HN1 NH2 30 HT1 SER 29 12.263 4.272 -5.578 230 HN2 NH2 30 HT2 SER 29 13.138 2.843 -5.984 231 HA PCA 1 HA PCA 1 -14.509 4.480 -5.400 232 HB2 PCA 1 2HB PCA 1 -13.124 4.570 -2.857 233 HB3 PCA 1 1HB PCA 1 -14.213 5.784 -3.583 234 HG2 PCA 1 2HG PCA 1 -14.778 4.037 -1.403 235 HG3 PCA 1 1HG PCA 1 -15.956 5.074 -2.274 236 H LEU 2 H LEU 2 -12.145 4.984 -5.449 237 HA LEU 2 HA LEU 2 -10.661 2.587 -6.187 238 HB2 LEU 2 2HB LEU 2 -9.698 5.429 -5.960 239 HB3 LEU 2 1HB LEU 2 -8.858 4.089 -6.715 240 HG LEU 2 HG LEU 2 -11.390 5.383 -7.714 241 HD11 LEU 2 1HD1 LEU 2 -8.574 5.413 -8.767 242 HD12 LEU 2 2HD1 LEU 2 -9.436 6.769 -8.036 243 HD13 LEU 2 3HD1 LEU 2 -9.978 6.104 -9.577 244 HD21 LEU 2 3HD2 LEU 2 -9.759 3.121 -8.872 245 HD22 LEU 2 1HD2 LEU 2 -11.090 3.939 -9.690 246 HD23 LEU 2 2HD2 LEU 2 -11.397 3.007 -8.228 247 H TYR 3 H TYR 3 -10.671 4.613 -3.419 248 HA TYR 3 HA TYR 3 -8.430 3.184 -2.531 249 HB2 TYR 3 2HB TYR 3 -8.877 5.416 -1.614 250 HB3 TYR 3 1HB TYR 3 -10.343 4.801 -0.834 251 HD1 TYR 3 2HD TYR 3 -6.858 3.718 -1.263 252 HD2 TYR 3 1HD TYR 3 -10.088 4.293 1.403 253 HE1 TYR 3 2HE TYR 3 -5.539 2.793 0.431 254 HE2 TYR 3 1HE TYR 3 -8.770 3.338 3.221 255 HH TYR 3 HH TYR 3 -5.417 2.889 2.935 256 H SER 4 H SER 4 -11.884 2.814 -2.078 257 HA SER 4 HA SER 4 -11.738 0.696 -0.262 258 HB2 SER 4 2HB SER 4 -13.825 1.965 -0.744 259 HB3 SER 4 1HB SER 4 -13.895 1.205 -2.331 260 HG SER 4 HG SER 4 -14.944 -0.299 -1.376 261 H ALA 5 H ALA 5 -11.601 0.756 -3.793 262 HA ALA 5 HA ALA 5 -11.639 -2.005 -4.257 263 HB1 ALA 5 1HB ALA 5 -11.813 -0.323 -6.060 264 HB2 ALA 5 2HB ALA 5 -10.542 -1.500 -6.388 265 HB3 ALA 5 3HB ALA 5 -10.124 0.108 -5.802 266 H LEU 6 H LEU 6 -8.925 0.194 -3.679 267 HA LEU 6 HA LEU 6 -6.897 -1.748 -3.737 268 HB2 LEU 6 2HB LEU 6 -6.536 0.724 -3.840 269 HB3 LEU 6 1HB LEU 6 -6.985 0.834 -2.153 270 HG LEU 6 HG LEU 6 -5.009 -0.611 -1.608 271 HD11 LEU 6 1HD1 LEU 6 -3.245 -0.823 -3.286 272 HD12 LEU 6 2HD1 LEU 6 -4.325 -0.137 -4.500 273 HD13 LEU 6 3HD1 LEU 6 -4.709 -1.687 -3.750 274 HD21 LEU 6 3HD2 LEU 6 -3.351 1.202 -1.899 275 HD22 LEU 6 1HD2 LEU 6 -4.907 1.807 -1.333 276 HD23 LEU 6 2HD2 LEU 6 -4.449 1.998 -3.021 277 H ALA 7 H ALA 7 -8.749 -0.355 -1.053 278 HA ALA 7 HA ALA 7 -7.631 -1.666 1.096 279 HB1 ALA 7 1HB ALA 7 -10.541 -0.948 0.764 280 HB2 ALA 7 2HB ALA 7 -9.270 0.159 1.283 281 HB3 ALA 7 3HB ALA 7 -9.702 -1.222 2.291 282 H ASN 8 H ASN 8 -10.379 -2.752 -0.868 283 HA ASN 8 HA ASN 8 -10.687 -5.225 0.486 284 HB2 ASN 8 2HB ASN 8 -11.600 -4.285 -2.226 285 HB3 ASN 8 1HB ASN 8 -11.837 -5.949 -1.717 286 HD21 ASN 8 1HD2 ASN 8 -12.756 -2.634 -1.203 287 HD22 ASN 8 2HD2 ASN 8 -14.166 -2.973 -0.273 288 H LYS 9 H LYS 9 -8.927 -4.299 -2.418 289 HA LYS 9 HA LYS 9 -8.185 -6.878 -3.222 290 HB2 LYS 9 2HB LYS 9 -7.999 -4.772 -4.630 291 HB3 LYS 9 1HB LYS 9 -6.624 -4.341 -3.650 292 HG2 LYS 9 2HG LYS 9 -5.409 -6.309 -4.373 293 HG3 LYS 9 1HG LYS 9 -6.786 -6.811 -5.352 294 HD2 LYS 9 2HD LYS 9 -6.581 -4.731 -6.660 295 HD3 LYS 9 1HD LYS 9 -5.165 -4.291 -5.703 296 HE2 LYS 9 2HE LYS 9 -5.423 -6.777 -7.382 297 HE3 LYS 9 1HE LYS 9 -4.585 -5.315 -7.882 298 HZ1 LYS 9 3HZ LYS 9 -3.812 -6.948 -5.498 299 HZ2 LYS 9 1HZ LYS 9 -2.996 -5.622 -6.151 300 HZ3 LYS 9 2HZ LYS 9 -3.112 -7.055 -7.022 301 H CYS 10 H CYS 10 -6.366 -4.552 -1.260 302 HA CYS 10 HA CYS 10 -4.134 -6.269 -0.918 303 HB2 CYS 10 2HB CYS 10 -5.053 -4.096 0.959 304 HB3 CYS 10 1HB CYS 10 -3.423 -4.727 0.780 305 H CYS 11 H CYS 11 -7.169 -5.901 0.755 306 HA CYS 11 HA CYS 11 -6.293 -7.309 3.074 307 HB2 CYS 11 2HB CYS 11 -8.149 -5.496 2.819 308 HB3 CYS 11 1HB CYS 11 -9.162 -6.852 2.351 309 H HIS 12 H HIS 12 -7.736 -8.114 0.003 310 HA HIS 12 HA HIS 12 -8.431 -10.758 0.950 311 HB2 HIS 12 2HB HIS 12 -8.819 -9.413 -1.726 312 HB3 HIS 12 1HB HIS 12 -9.219 -11.100 -1.439 313 HD1 HIS 12 1HD HIS 12 -11.711 -10.049 -2.159 314 HD2 HIS 12 2HD HIS 12 -10.169 -9.051 1.557 315 HE1 HIS 12 1HE HIS 12 -13.663 -9.207 -0.794 316 H VAL 13 H VAL 13 -6.507 -9.450 -1.703 317 HA VAL 13 HA VAL 13 -5.045 -11.985 -1.667 318 HB VAL 13 HB VAL 13 -4.413 -11.462 -4.024 319 HG11 VAL 13 1HG1 VAL 13 -7.356 -11.784 -3.375 320 HG12 VAL 13 2HG1 VAL 13 -6.178 -13.091 -3.490 321 HG13 VAL 13 3HG1 VAL 13 -6.645 -12.188 -4.937 322 HG21 VAL 13 3HG2 VAL 13 -5.875 -9.938 -5.323 323 HG22 VAL 13 1HG2 VAL 13 -4.915 -9.083 -4.114 324 HG23 VAL 13 2HG2 VAL 13 -6.622 -9.407 -3.816 325 H GLY 14 H GLY 14 -4.704 -8.610 -2.182 326 HA2 GLY 14 2HA GLY 14 -2.887 -7.698 -0.668 327 HA3 GLY 14 1HA GLY 14 -1.844 -8.776 -1.524 328 H CYS 15 H CYS 15 -1.069 -6.365 -1.730 329 HA CYS 15 HA CYS 15 -1.618 -5.656 -4.469 330 HB2 CYS 15 2HB CYS 15 -1.906 -3.266 -3.830 331 HB3 CYS 15 1HB CYS 15 -3.250 -4.305 -3.371 332 H THR 16 H THR 16 -0.031 -3.996 -5.181 333 HA THR 16 HA THR 16 2.443 -4.632 -4.002 334 HB THR 16 HB THR 16 3.307 -3.168 -5.895 335 HG1 THR 16 1HG THR 16 1.469 -3.201 -7.577 336 HG21 THR 16 3HG2 THR 16 1.623 -5.589 -6.577 337 HG22 THR 16 1HG2 THR 16 3.288 -5.626 -5.994 338 HG23 THR 16 2HG2 THR 16 2.921 -4.922 -7.568 339 H LYS 17 H LYS 17 3.776 -3.217 -3.128 340 HA LYS 17 HA LYS 17 2.713 -1.055 -1.531 341 HB2 LYS 17 2HB LYS 17 4.702 -2.568 -1.156 342 HB3 LYS 17 1HB LYS 17 5.598 -1.621 -2.298 343 HG2 LYS 17 2HG LYS 17 6.199 -1.061 -0.112 344 HG3 LYS 17 1HG LYS 17 5.333 0.323 -0.797 345 HD2 LYS 17 2HD LYS 17 3.408 -0.152 0.507 346 HD3 LYS 17 1HD LYS 17 3.994 -1.771 0.909 347 HE2 LYS 17 2HE LYS 17 5.346 0.783 1.766 348 HE3 LYS 17 1HE LYS 17 4.210 -0.118 2.767 349 HZ1 LYS 17 3HZ LYS 17 6.549 -0.638 3.246 350 HZ2 LYS 17 1HZ LYS 17 6.765 -1.307 1.711 351 HZ3 LYS 17 2HZ LYS 17 5.676 -1.977 2.811 352 H ARG 18 H ARG 18 4.133 -1.328 -4.611 353 HA ARG 18 HA ARG 18 4.524 1.405 -5.263 354 HB2 ARG 18 2HB ARG 18 3.771 -0.858 -7.102 355 HB3 ARG 18 1HB ARG 18 4.497 0.672 -7.557 356 HG2 ARG 18 2HG ARG 18 6.531 0.076 -6.377 357 HG3 ARG 18 1HG ARG 18 5.792 -1.443 -5.862 358 HD2 ARG 18 2HD ARG 18 6.357 -0.585 -8.694 359 HD3 ARG 18 1HD ARG 18 7.219 -1.819 -7.780 360 HE ARG 18 HE ARG 18 4.351 -2.095 -8.400 361 HH11 ARG 18 1HH1 ARG 18 7.646 -3.429 -8.546 362 HH12 ARG 18 2HH1 ARG 18 7.144 -4.894 -9.236 363 HH21 ARG 18 1HH2 ARG 18 3.697 -4.121 -9.335 364 HH22 ARG 18 2HH2 ARG 18 4.875 -5.312 -9.649 365 H SER 19 H SER 19 1.707 -0.688 -5.176 366 HA SER 19 HA SER 19 0.103 0.968 -6.834 367 HB2 SER 19 2HB SER 19 -1.669 -0.636 -6.462 368 HB3 SER 19 1HB SER 19 -0.166 -1.580 -6.320 369 HG SER 19 HG SER 19 -0.331 -1.574 -4.165 370 H LEU 20 H LEU 20 0.395 0.436 -3.341 371 HA LEU 20 HA LEU 20 -1.455 2.552 -2.700 372 HB2 LEU 20 2HB LEU 20 0.707 1.895 -0.660 373 HB3 LEU 20 1HB LEU 20 -0.892 2.477 -0.511 374 HG LEU 20 HG LEU 20 -1.759 0.200 -1.191 375 HD11 LEU 20 1HD1 LEU 20 -0.318 -1.677 -0.740 376 HD12 LEU 20 2HD1 LEU 20 1.035 -0.583 -0.482 377 HD13 LEU 20 3HD1 LEU 20 0.302 -0.720 -2.085 378 HD21 LEU 20 3HD2 LEU 20 -1.518 -0.671 1.066 379 HD22 LEU 20 1HD2 LEU 20 -1.878 1.059 1.079 380 HD23 LEU 20 2HD2 LEU 20 -0.227 0.490 1.366 381 H ALA 21 H ALA 21 1.815 2.410 -3.417 382 HA ALA 21 HA ALA 21 2.628 4.989 -2.645 383 HB1 ALA 21 1HB ALA 21 4.197 3.267 -3.440 384 HB2 ALA 21 2HB ALA 21 4.423 4.816 -4.256 385 HB3 ALA 21 3HB ALA 21 3.587 3.498 -5.076 386 H ARG 22 H ARG 22 0.983 3.957 -5.605 387 HA ARG 22 HA ARG 22 1.135 6.650 -6.605 388 HB2 ARG 22 2HB ARG 22 -0.077 5.898 -8.564 389 HB3 ARG 22 1HB ARG 22 1.218 4.776 -8.205 390 HG2 ARG 22 2HG ARG 22 -0.460 3.278 -7.159 391 HG3 ARG 22 1HG ARG 22 -1.717 4.396 -7.688 392 HD2 ARG 22 2HD ARG 22 0.198 2.855 -9.432 393 HD3 ARG 22 1HD ARG 22 -1.535 2.590 -9.273 394 HE ARG 22 HE ARG 22 -0.435 5.099 -10.342 395 HH11 ARG 22 1HH1 ARG 22 -2.607 2.308 -10.701 396 HH12 ARG 22 2HH1 ARG 22 -3.313 2.873 -12.145 397 HH21 ARG 22 1HH2 ARG 22 -1.403 5.850 -12.343 398 HH22 ARG 22 2HH2 ARG 22 -2.592 4.916 -13.124 399 H PHE 23 H PHE 23 -0.879 5.070 -4.483 400 HA PHE 23 HA PHE 23 -3.089 6.893 -5.013 401 HB2 PHE 23 2HB PHE 23 -2.887 4.519 -3.179 402 HB3 PHE 23 1HB PHE 23 -4.195 5.681 -3.030 403 HD1 PHE 23 1HD PHE 23 -5.687 6.065 -5.027 404 HD2 PHE 23 2HD PHE 23 -2.991 2.791 -4.765 405 HE1 PHE 23 1HE PHE 23 -6.975 4.877 -6.743 406 HE2 PHE 23 2HE PHE 23 -4.271 1.591 -6.484 407 HZ PHE 23 HZ PHE 23 -6.271 2.631 -7.477 408 H CYS 24 H CYS 24 -1.102 6.021 -2.320 409 HA CYS 24 HA CYS 24 -0.359 7.135 -0.489 410 HB2 CYS 24 2HB CYS 24 -1.001 9.618 -2.092 411 HB3 CYS 24 1HB CYS 24 -0.185 9.633 -0.535 412 HN1 NH2 25 HT1 CYS 24 -2.933 9.426 -1.286 413 HN2 NH2 25 HT2 CYS 24 -3.822 9.160 0.172 Start of MODEL 2 1 H1 ASP 1 1HT ASP 1 10.112 -1.903 1.649 2 H2 ASP 1 2HT ASP 1 11.135 -2.845 2.599 3 H3 ASP 1 3HT ASP 1 10.699 -3.351 1.042 4 HA ASP 1 HA ASP 1 12.229 -0.911 1.652 5 HB2 ASP 1 2HB ASP 1 13.592 -2.817 2.257 6 HB3 ASP 1 1HB ASP 1 13.227 -3.598 0.730 7 H SER 2 H SER 2 11.512 -3.286 -0.834 8 HA SER 2 HA SER 2 12.306 -1.475 -2.909 9 HB2 SER 2 2HB SER 2 10.836 -4.068 -3.161 10 HB3 SER 2 1HB SER 2 11.790 -3.260 -4.395 11 HG SER 2 HG SER 2 13.540 -3.376 -2.779 12 H TRP 3 H TRP 3 11.028 -0.521 -4.365 13 HA TRP 3 HA TRP 3 8.376 -0.026 -3.334 14 HB2 TRP 3 2HB TRP 3 9.958 1.668 -5.253 15 HB3 TRP 3 1HB TRP 3 8.337 2.042 -4.676 16 HD1 TRP 3 HD TRP 3 11.543 3.279 -4.064 17 HE1 TRP 3 1HE TRP 3 11.936 4.071 -1.635 18 HE3 TRP 3 3HE TRP 3 7.627 0.895 -1.785 19 HZ2 TRP 3 2HZ TRP 3 10.744 3.698 0.899 20 HZ3 TRP 3 3HZ TRP 3 7.345 1.146 0.619 21 HH2 TRP 3 HH TRP 3 8.835 2.504 1.937 22 H MET 4 H MET 4 9.810 -0.697 -6.548 23 HA MET 4 HA MET 4 7.327 -0.515 -7.900 24 HB2 MET 4 2HB MET 4 9.725 -2.133 -8.756 25 HB3 MET 4 1HB MET 4 8.364 -1.719 -9.762 26 HG2 MET 4 2HG MET 4 10.160 -0.335 -10.386 27 HG3 MET 4 1HG MET 4 9.026 0.680 -9.503 28 HE1 MET 4 3HE MET 4 12.162 1.108 -10.293 29 HE2 MET 4 1HE MET 4 12.756 1.953 -8.864 30 HE3 MET 4 2HE MET 4 11.198 2.393 -9.570 31 H GLU 5 H GLU 5 9.109 -3.325 -6.691 32 HA GLU 5 HA GLU 5 6.588 -4.740 -6.892 33 HB2 GLU 5 2HB GLU 5 8.006 -5.412 -8.791 34 HB3 GLU 5 1HB GLU 5 9.235 -5.964 -7.660 35 HG2 GLU 5 2HG GLU 5 7.672 -7.594 -6.751 36 HG3 GLU 5 1HG GLU 5 6.432 -7.035 -7.863 37 H GLU 6 H GLU 6 6.274 -4.370 -4.796 38 HA GLU 6 HA GLU 6 7.455 -6.412 -3.136 39 HB2 GLU 6 2HB GLU 6 8.353 -3.900 -2.596 40 HB3 GLU 6 1HB GLU 6 6.713 -3.791 -2.010 41 HG2 GLU 6 2HG GLU 6 6.938 -5.277 -0.320 42 HG3 GLU 6 1HG GLU 6 8.362 -6.032 -1.016 43 H VAL 7 H VAL 7 5.877 -6.999 -1.584 44 HA VAL 7 HA VAL 7 3.183 -6.114 -2.254 45 HB VAL 7 HB VAL 7 3.644 -7.954 -3.816 46 HG11 VAL 7 1HG1 VAL 7 3.924 -10.262 -3.051 47 HG12 VAL 7 2HG1 VAL 7 4.046 -9.684 -1.391 48 HG13 VAL 7 3HG1 VAL 7 5.268 -9.223 -2.576 49 HG21 VAL 7 3HG2 VAL 7 1.618 -8.702 -1.705 50 HG22 VAL 7 1HG2 VAL 7 1.681 -9.364 -3.339 51 HG23 VAL 7 2HG2 VAL 7 1.344 -7.651 -3.091 52 H ILE 8 H ILE 8 1.748 -6.221 -0.676 53 HA ILE 8 HA ILE 8 2.384 -7.655 1.775 54 HB ILE 8 HB ILE 8 1.585 -5.721 3.126 55 HG12 ILE 8 2HG1 ILE 8 1.752 -4.280 0.490 56 HG13 ILE 8 1HG1 ILE 8 0.309 -4.557 1.439 57 HG21 ILE 8 1HG2 ILE 8 4.048 -5.165 1.484 58 HG22 ILE 8 2HG2 ILE 8 3.963 -6.110 2.973 59 HG23 ILE 8 3HG2 ILE 8 3.636 -4.378 3.007 60 HD11 ILE 8 3HD1 ILE 8 1.127 -3.078 3.189 61 HD12 ILE 8 1HD1 ILE 8 1.083 -2.247 1.638 62 HD13 ILE 8 2HD1 ILE 8 2.619 -2.817 2.288 63 H LYS 9 H LYS 9 0.413 -7.456 3.219 64 HA LYS 9 HA LYS 9 -2.071 -7.481 1.694 65 HB2 LYS 9 2HB LYS 9 -1.157 -9.712 3.529 66 HB3 LYS 9 1HB LYS 9 -2.804 -9.534 2.959 67 HG2 LYS 9 2HG LYS 9 -2.082 -9.892 0.681 68 HG3 LYS 9 1HG LYS 9 -0.398 -9.962 1.213 69 HD2 LYS 9 2HD LYS 9 -0.889 -11.942 2.552 70 HD3 LYS 9 1HD LYS 9 -2.591 -11.847 2.106 71 HE2 LYS 9 2HE LYS 9 -1.452 -13.561 0.802 72 HE3 LYS 9 1HE LYS 9 -1.991 -12.245 -0.236 73 HZ1 LYS 9 3HZ LYS 9 0.279 -11.379 -0.235 74 HZ2 LYS 9 1HZ LYS 9 0.241 -12.954 -0.796 75 HZ3 LYS 9 2HZ LYS 9 0.780 -12.629 0.759 76 H LEU 10 H LEU 10 -2.534 -5.557 2.755 77 HA LEU 10 HA LEU 10 -3.154 -5.823 5.613 78 HB2 LEU 10 2HB LEU 10 -1.737 -3.583 4.315 79 HB3 LEU 10 1HB LEU 10 -2.828 -3.238 5.627 80 HG LEU 10 HG LEU 10 -0.985 -3.332 6.694 81 HD11 LEU 10 1HD1 LEU 10 -0.663 -5.362 7.994 82 HD12 LEU 10 2HD1 LEU 10 -1.666 -6.237 6.855 83 HD13 LEU 10 3HD1 LEU 10 -2.355 -4.905 7.797 84 HD21 LEU 10 3HD2 LEU 10 0.608 -3.768 4.988 85 HD22 LEU 10 1HD2 LEU 10 0.113 -5.461 4.876 86 HD23 LEU 10 2HD2 LEU 10 0.962 -4.885 6.306 87 H CYS 11 H CYS 11 -4.374 -3.817 6.325 88 HA CYS 11 HA CYS 11 -6.612 -3.298 4.505 89 HB2 CYS 11 2HB CYS 11 -6.887 -4.603 7.085 90 HB3 CYS 11 1HB CYS 11 -8.266 -4.342 6.001 91 H GLY 12 H GLY 12 -8.127 -1.779 5.643 92 HA2 GLY 12 2HA GLY 12 -8.648 0.014 6.962 93 HA3 GLY 12 1HA GLY 12 -8.030 -0.978 8.263 94 H ARG 13 H ARG 13 -6.980 0.425 9.462 95 HA ARG 13 HA ARG 13 -5.384 2.430 8.232 96 HB2 ARG 13 2HB ARG 13 -5.047 3.433 10.361 97 HB3 ARG 13 1HB ARG 13 -6.708 2.898 10.299 98 HG2 ARG 13 2HG ARG 13 -4.438 1.661 11.845 99 HG3 ARG 13 1HG ARG 13 -5.812 2.545 12.489 100 HD2 ARG 13 2HD ARG 13 -5.826 -0.157 11.157 101 HD3 ARG 13 1HD ARG 13 -6.105 0.184 12.858 102 HE ARG 13 HE ARG 13 -8.055 1.576 11.573 103 HH11 ARG 13 1HH1 ARG 13 -6.987 -1.822 11.441 104 HH12 ARG 13 2HH1 ARG 13 -8.570 -2.442 11.241 105 HH21 ARG 13 1HH2 ARG 13 -10.181 0.717 11.188 106 HH22 ARG 13 2HH2 ARG 13 -10.427 -0.983 11.120 107 H GLU 14 H GLU 14 -4.742 -0.801 8.926 108 HA GLU 14 HA GLU 14 -1.973 -0.486 9.603 109 HB2 GLU 14 2HB GLU 14 -3.692 -2.790 8.667 110 HB3 GLU 14 1HB GLU 14 -1.954 -2.946 8.809 111 HG2 GLU 14 2HG GLU 14 -3.189 -3.874 10.727 112 HG3 GLU 14 1HG GLU 14 -2.056 -2.609 11.177 113 H LEU 15 H LEU 15 -4.019 -0.677 6.903 114 HA LEU 15 HA LEU 15 -2.138 -1.078 4.805 115 HB2 LEU 15 2HB LEU 15 -4.673 -1.366 4.892 116 HB3 LEU 15 1HB LEU 15 -4.757 0.370 4.749 117 HG LEU 15 HG LEU 15 -3.452 0.076 2.578 118 HD11 LEU 15 1HD1 LEU 15 -3.805 -2.174 1.571 119 HD12 LEU 15 2HD1 LEU 15 -4.352 -2.712 3.182 120 HD13 LEU 15 3HD1 LEU 15 -2.700 -2.169 2.952 121 HD21 LEU 15 3HD2 LEU 15 -5.817 0.661 2.736 122 HD22 LEU 15 1HD2 LEU 15 -6.212 -1.052 2.870 123 HD23 LEU 15 2HD2 LEU 15 -5.496 -0.421 1.376 124 H VAL 16 H VAL 16 -3.789 1.636 6.344 125 HA VAL 16 HA VAL 16 -2.734 3.726 4.776 126 HB VAL 16 HB VAL 16 -3.821 3.798 7.611 127 HG11 VAL 16 1HG1 VAL 16 -3.343 6.052 5.676 128 HG12 VAL 16 2HG1 VAL 16 -2.491 5.782 7.196 129 HG13 VAL 16 3HG1 VAL 16 -4.207 6.194 7.204 130 HG21 VAL 16 3HG2 VAL 16 -5.146 4.393 4.972 131 HG22 VAL 16 1HG2 VAL 16 -5.887 4.570 6.562 132 HG23 VAL 16 2HG2 VAL 16 -5.428 2.970 5.974 133 H ARG 17 H ARG 17 -1.726 2.330 7.819 134 HA ARG 17 HA ARG 17 0.416 3.867 8.626 135 HB2 ARG 17 2HB ARG 17 -0.663 1.702 9.565 136 HB3 ARG 17 1HB ARG 17 0.430 0.888 8.519 137 HG2 ARG 17 2HG ARG 17 2.366 1.684 9.608 138 HG3 ARG 17 1HG ARG 17 1.427 2.794 10.608 139 HD2 ARG 17 2HD ARG 17 2.067 0.801 11.881 140 HD3 ARG 17 1HD ARG 17 0.322 0.910 11.692 141 HE ARG 17 HE ARG 17 1.690 -0.710 9.728 142 HH11 ARG 17 1HH1 ARG 17 -0.053 -0.690 12.786 143 HH12 ARG 17 2HH1 ARG 17 -0.386 -2.346 12.819 144 HH21 ARG 17 1HH2 ARG 17 1.226 -3.013 9.714 145 HH22 ARG 17 2HH2 ARG 17 0.348 -3.712 10.990 146 H ALA 18 H ALA 18 0.395 1.097 6.605 147 HA ALA 18 HA ALA 18 3.049 1.169 5.637 148 HB1 ALA 18 1HB ALA 18 0.633 0.050 4.210 149 HB2 ALA 18 2HB ALA 18 1.618 -0.818 5.386 150 HB3 ALA 18 3HB ALA 18 2.315 -0.325 3.844 151 H GLN 19 H GLN 19 0.082 2.375 4.110 152 HA GLN 19 HA GLN 19 0.988 3.448 1.761 153 HB2 GLN 19 2HB GLN 19 -1.069 4.419 3.678 154 HB3 GLN 19 1HB GLN 19 -0.835 5.215 2.145 155 HG2 GLN 19 2HG GLN 19 -1.261 3.066 1.045 156 HG3 GLN 19 1HG GLN 19 -1.577 2.327 2.619 157 HE21 GLN 19 1HE2 GLN 19 -3.239 2.447 0.355 158 HE22 GLN 19 2HE2 GLN 19 -4.676 3.271 0.805 159 H ILE 20 H ILE 20 0.631 5.218 4.766 160 HA ILE 20 HA ILE 20 1.772 7.653 4.035 161 HB ILE 20 HB ILE 20 1.846 6.346 6.772 162 HG12 ILE 20 2HG1 ILE 20 -0.432 6.629 5.973 163 HG13 ILE 20 1HG1 ILE 20 -0.115 7.779 7.264 164 HG21 ILE 20 1HG2 ILE 20 3.507 8.126 6.665 165 HG22 ILE 20 2HG2 ILE 20 2.166 8.584 7.710 166 HG23 ILE 20 3HG2 ILE 20 2.280 9.253 6.083 167 HD11 ILE 20 3HD1 ILE 20 -1.403 8.806 5.501 168 HD12 ILE 20 1HD1 ILE 20 -0.174 8.380 4.311 169 HD13 ILE 20 2HD1 ILE 20 0.197 9.542 5.583 170 H ALA 21 H ALA 21 3.367 4.768 5.276 171 HA ALA 21 HA ALA 21 5.965 5.885 5.436 172 HB1 ALA 21 1HB ALA 21 5.177 3.006 4.992 173 HB2 ALA 21 2HB ALA 21 5.370 3.784 6.561 174 HB3 ALA 21 3HB ALA 21 6.765 3.576 5.499 175 H ILE 22 H ILE 22 4.233 4.227 2.894 176 HA ILE 22 HA ILE 22 6.450 4.048 1.100 177 HB ILE 22 HB ILE 22 3.519 3.932 0.363 178 HG12 ILE 22 2HG1 ILE 22 5.313 1.608 1.054 179 HG13 ILE 22 1HG1 ILE 22 4.206 2.345 2.208 180 HG21 ILE 22 1HG2 ILE 22 6.003 2.795 -0.928 181 HG22 ILE 22 2HG2 ILE 22 5.067 4.165 -1.518 182 HG23 ILE 22 3HG2 ILE 22 4.353 2.545 -1.494 183 HD11 ILE 22 3HD1 ILE 22 3.252 0.354 1.197 184 HD12 ILE 22 1HD1 ILE 22 3.429 1.086 -0.401 185 HD13 ILE 22 2HD1 ILE 22 2.334 1.803 0.784 186 H CYS 23 H CYS 23 3.616 6.214 1.257 187 HA CYS 23 HA CYS 23 4.364 7.602 -1.133 188 HB2 CYS 23 2HB CYS 23 2.270 7.973 0.938 189 HB3 CYS 23 1HB CYS 23 2.607 9.267 -0.200 190 H GLY 24 H GLY 24 4.989 8.048 2.182 191 HA2 GLY 24 2HA GLY 24 5.873 10.719 2.097 192 HA3 GLY 24 1HA GLY 24 6.378 9.518 3.280 193 H MET 25 H MET 25 7.328 7.769 1.013 194 HA MET 25 HA MET 25 9.658 9.269 0.162 195 HB2 MET 25 2HB MET 25 11.192 7.453 0.963 196 HB3 MET 25 1HB MET 25 10.452 8.414 2.235 197 HG2 MET 25 2HG MET 25 8.800 6.601 2.555 198 HG3 MET 25 1HG MET 25 9.682 5.645 1.366 199 HE1 MET 25 3HE MET 25 10.440 3.986 4.875 200 HE2 MET 25 1HE MET 25 9.795 3.711 3.256 201 HE3 MET 25 2HE MET 25 8.953 4.788 4.367 202 H SER 26 H SER 26 7.725 8.570 -1.554 203 HA SER 26 HA SER 26 8.440 6.091 -2.856 204 HB2 SER 26 2HB SER 26 6.587 8.300 -3.830 205 HB3 SER 26 1HB SER 26 6.752 6.702 -4.544 206 HG SER 26 HG SER 26 6.203 6.533 -1.893 207 H THR 27 H THR 27 10.652 6.905 -2.888 208 HA THR 27 HA THR 27 11.481 8.986 -4.637 209 HB THR 27 HB THR 27 13.145 6.693 -3.642 210 HG1 THR 27 1HG THR 27 12.310 9.105 -2.392 211 HG21 THR 27 3HG2 THR 27 13.840 9.566 -4.304 212 HG22 THR 27 1HG2 THR 27 14.282 8.141 -5.241 213 HG23 THR 27 2HG2 THR 27 14.963 8.385 -3.631 214 H TRP 28 H TRP 28 10.651 5.891 -5.150 215 HA TRP 28 HA TRP 28 11.896 5.884 -7.812 216 HB2 TRP 28 2HB TRP 28 11.397 3.496 -6.046 217 HB3 TRP 28 1HB TRP 28 11.904 3.397 -7.724 218 HD1 TRP 28 HD TRP 28 13.292 4.058 -4.248 219 HE1 TRP 28 1HE TRP 28 15.797 4.374 -4.375 220 HE3 TRP 28 3HE TRP 28 13.785 4.320 -9.337 221 HZ2 TRP 28 2HZ TRP 28 17.786 4.704 -6.389 222 HZ3 TRP 28 3HZ TRP 28 16.034 4.642 -10.278 223 HH2 TRP 28 HH TRP 28 17.992 4.830 -8.834 224 H SER 29 H SER 29 10.749 5.434 -9.583 225 HA SER 29 HA SER 29 7.914 5.551 -9.380 226 HB2 SER 29 2HB SER 29 8.194 5.461 -11.940 227 HB3 SER 29 1HB SER 29 8.842 6.864 -11.086 228 HG SER 29 HG SER 29 10.549 6.347 -12.135 229 HN1 NH2 30 HT1 SER 29 9.596 3.457 -11.620 230 HN2 NH2 30 HT2 SER 29 8.735 2.006 -11.213 231 HA PCA 1 HA PCA 1 -13.877 5.136 -5.664 232 HB2 PCA 1 2HB PCA 1 -12.316 5.195 -3.284 233 HB3 PCA 1 1HB PCA 1 -13.363 6.503 -3.905 234 HG2 PCA 1 2HG PCA 1 -13.794 4.776 -1.618 235 HG3 PCA 1 1HG PCA 1 -14.846 6.103 -2.220 236 H LEU 2 H LEU 2 -11.698 4.713 -6.261 237 HA LEU 2 HA LEU 2 -11.140 1.903 -6.112 238 HB2 LEU 2 2HB LEU 2 -9.607 4.073 -7.550 239 HB3 LEU 2 1HB LEU 2 -9.253 2.362 -7.666 240 HG LEU 2 HG LEU 2 -11.780 3.710 -8.622 241 HD11 LEU 2 1HD1 LEU 2 -9.879 4.232 -10.019 242 HD12 LEU 2 2HD1 LEU 2 -10.975 3.131 -10.853 243 HD13 LEU 2 3HD1 LEU 2 -9.479 2.519 -10.149 244 HD21 LEU 2 3HD2 LEU 2 -12.263 1.449 -7.864 245 HD22 LEU 2 1HD2 LEU 2 -10.912 0.822 -8.812 246 HD23 LEU 2 2HD2 LEU 2 -12.310 1.521 -9.623 247 H TYR 3 H TYR 3 -10.064 4.673 -4.574 248 HA TYR 3 HA TYR 3 -7.769 3.715 -3.355 249 HB2 TYR 3 2HB TYR 3 -8.042 5.920 -2.798 250 HB3 TYR 3 1HB TYR 3 -9.786 5.816 -2.910 251 HD1 TYR 3 2HD TYR 3 -11.115 5.302 -1.023 252 HD2 TYR 3 1HD TYR 3 -6.901 5.590 -0.666 253 HE1 TYR 3 2HE TYR 3 -11.374 5.417 1.333 254 HE2 TYR 3 1HE TYR 3 -7.116 5.720 1.774 255 HH TYR 3 HH TYR 3 -9.971 4.905 3.363 256 H SER 4 H SER 4 -11.176 3.119 -2.655 257 HA SER 4 HA SER 4 -10.613 1.539 -0.315 258 HB2 SER 4 2HB SER 4 -12.692 2.892 -0.499 259 HB3 SER 4 1HB SER 4 -13.207 1.890 -1.850 260 HG SER 4 HG SER 4 -12.550 0.710 0.621 261 H ALA 5 H ALA 5 -11.103 1.058 -3.729 262 HA ALA 5 HA ALA 5 -11.590 -1.707 -3.750 263 HB1 ALA 5 1HB ALA 5 -11.867 -0.320 -5.760 264 HB2 ALA 5 2HB ALA 5 -10.734 -1.639 -6.073 265 HB3 ALA 5 3HB ALA 5 -10.132 -0.011 -5.786 266 H LEU 6 H LEU 6 -8.614 0.190 -3.882 267 HA LEU 6 HA LEU 6 -6.684 -1.805 -3.907 268 HB2 LEU 6 2HB LEU 6 -6.110 0.544 -4.085 269 HB3 LEU 6 1HB LEU 6 -6.708 0.850 -2.468 270 HG LEU 6 HG LEU 6 -4.903 -0.715 -1.639 271 HD11 LEU 6 1HD1 LEU 6 -2.950 -1.023 -3.059 272 HD12 LEU 6 2HD1 LEU 6 -3.843 -0.342 -4.420 273 HD13 LEU 6 3HD1 LEU 6 -4.378 -1.852 -3.679 274 HD21 LEU 6 3HD2 LEU 6 -4.790 1.712 -1.416 275 HD22 LEU 6 1HD2 LEU 6 -4.018 1.822 -2.998 276 HD23 LEU 6 2HD2 LEU 6 -3.203 0.994 -1.657 277 H ALA 7 H ALA 7 -8.336 -0.344 -1.137 278 HA ALA 7 HA ALA 7 -7.052 -1.716 0.917 279 HB1 ALA 7 1HB ALA 7 -8.525 0.202 1.282 280 HB2 ALA 7 2HB ALA 7 -8.986 -1.167 2.296 281 HB3 ALA 7 3HB ALA 7 -9.922 -0.784 0.848 282 H ASN 8 H ASN 8 -10.039 -2.505 -0.752 283 HA ASN 8 HA ASN 8 -10.527 -4.948 0.549 284 HB2 ASN 8 2HB ASN 8 -11.382 -3.990 -2.188 285 HB3 ASN 8 1HB ASN 8 -11.956 -5.482 -1.455 286 HD21 ASN 8 1HD2 ASN 8 -13.384 -3.062 -2.256 287 HD22 ASN 8 2HD2 ASN 8 -14.207 -2.509 -0.841 288 H LYS 9 H LYS 9 -8.947 -4.269 -2.524 289 HA LYS 9 HA LYS 9 -8.348 -6.913 -3.241 290 HB2 LYS 9 2HB LYS 9 -6.950 -4.334 -3.894 291 HB3 LYS 9 1HB LYS 9 -6.512 -5.854 -4.635 292 HG2 LYS 9 2HG LYS 9 -8.727 -6.006 -5.647 293 HG3 LYS 9 1HG LYS 9 -9.214 -4.522 -4.823 294 HD2 LYS 9 2HD LYS 9 -8.627 -4.016 -7.121 295 HD3 LYS 9 1HD LYS 9 -7.434 -3.302 -6.038 296 HE2 LYS 9 2HE LYS 9 -5.948 -5.246 -6.470 297 HE3 LYS 9 1HE LYS 9 -7.135 -5.857 -7.614 298 HZ1 LYS 9 3HZ LYS 9 -6.834 -3.837 -8.922 299 HZ2 LYS 9 1HZ LYS 9 -5.396 -4.684 -8.750 300 HZ3 LYS 9 2HZ LYS 9 -5.655 -3.287 -7.854 301 H CYS 10 H CYS 10 -6.468 -4.621 -1.353 302 HA CYS 10 HA CYS 10 -4.242 -6.404 -1.139 303 HB2 CYS 10 2HB CYS 10 -4.224 -3.844 -0.965 304 HB3 CYS 10 1HB CYS 10 -4.848 -4.073 0.658 305 H CYS 11 H CYS 11 -7.149 -5.827 0.665 306 HA CYS 11 HA CYS 11 -6.299 -7.182 3.019 307 HB2 CYS 11 2HB CYS 11 -8.170 -5.395 2.716 308 HB3 CYS 11 1HB CYS 11 -9.160 -6.743 2.188 309 H HIS 12 H HIS 12 -7.691 -8.066 -0.031 310 HA HIS 12 HA HIS 12 -8.290 -10.751 0.907 311 HB2 HIS 12 2HB HIS 12 -8.839 -9.337 -1.682 312 HB3 HIS 12 1HB HIS 12 -9.003 -11.078 -1.525 313 HD1 HIS 12 1HD HIS 12 -11.283 -11.855 -0.796 314 HD2 HIS 12 2HD HIS 12 -10.541 -7.903 0.200 315 HE1 HIS 12 1HE HIS 12 -13.441 -10.963 0.100 316 H VAL 13 H VAL 13 -6.627 -9.484 -1.954 317 HA VAL 13 HA VAL 13 -5.043 -11.908 -1.918 318 HB VAL 13 HB VAL 13 -4.334 -11.267 -4.208 319 HG11 VAL 13 1HG1 VAL 13 -7.308 -11.586 -3.710 320 HG12 VAL 13 2HG1 VAL 13 -6.136 -12.899 -3.839 321 HG13 VAL 13 3HG1 VAL 13 -6.529 -11.920 -5.256 322 HG21 VAL 13 3HG2 VAL 13 -6.521 -9.190 -3.989 323 HG22 VAL 13 1HG2 VAL 13 -5.708 -9.650 -5.485 324 HG23 VAL 13 2HG2 VAL 13 -4.796 -8.879 -4.188 325 H GLY 14 H GLY 14 -4.611 -8.486 -2.253 326 HA2 GLY 14 2HA GLY 14 -2.850 -7.747 -0.548 327 HA3 GLY 14 1HA GLY 14 -1.776 -8.770 -1.451 328 H CYS 15 H CYS 15 -0.941 -6.349 -1.365 329 HA CYS 15 HA CYS 15 -1.600 -5.225 -3.971 330 HB2 CYS 15 2HB CYS 15 -1.541 -2.974 -2.978 331 HB3 CYS 15 1HB CYS 15 -2.929 -3.934 -2.516 332 H THR 16 H THR 16 0.025 -3.929 -4.848 333 HA THR 16 HA THR 16 2.612 -4.593 -3.784 334 HB THR 16 HB THR 16 3.543 -3.592 -5.877 335 HG1 THR 16 1HG THR 16 0.905 -3.556 -6.886 336 HG21 THR 16 3HG2 THR 16 3.130 -5.986 -5.769 337 HG22 THR 16 1HG2 THR 16 2.800 -5.381 -7.392 338 HG23 THR 16 2HG2 THR 16 1.466 -5.740 -6.296 339 H LYS 17 H LYS 17 4.072 -3.141 -3.343 340 HA LYS 17 HA LYS 17 3.305 -0.967 -1.684 341 HB2 LYS 17 2HB LYS 17 5.476 -2.437 -2.169 342 HB3 LYS 17 1HB LYS 17 6.136 -0.970 -2.776 343 HG2 LYS 17 2HG LYS 17 6.752 -1.048 -0.533 344 HG3 LYS 17 1HG LYS 17 5.320 -0.011 -0.479 345 HD2 LYS 17 2HD LYS 17 3.942 -1.975 0.094 346 HD3 LYS 17 1HD LYS 17 5.385 -2.983 0.056 347 HE2 LYS 17 2HE LYS 17 4.815 -0.713 1.958 348 HE3 LYS 17 1HE LYS 17 4.834 -2.433 2.336 349 HZ1 LYS 17 3HZ LYS 17 7.262 -2.351 1.598 350 HZ2 LYS 17 1HZ LYS 17 6.868 -1.559 3.047 351 HZ3 LYS 17 2HZ LYS 17 7.081 -0.661 1.685 352 H ARG 18 H ARG 18 4.497 -0.670 -5.036 353 HA ARG 18 HA ARG 18 4.025 2.112 -4.881 354 HB2 ARG 18 2HB ARG 18 4.620 0.342 -7.199 355 HB3 ARG 18 1HB ARG 18 4.118 2.007 -7.476 356 HG2 ARG 18 2HG ARG 18 6.446 1.188 -5.768 357 HG3 ARG 18 1HG ARG 18 6.578 1.713 -7.448 358 HD2 ARG 18 2HD ARG 18 5.274 3.472 -5.351 359 HD3 ARG 18 1HD ARG 18 7.010 3.449 -5.582 360 HE ARG 18 HE ARG 18 6.790 4.432 -7.608 361 HH11 ARG 18 1HH1 ARG 18 3.415 3.801 -6.522 362 HH12 ARG 18 2HH1 ARG 18 2.807 5.159 -7.328 363 HH21 ARG 18 1HH2 ARG 18 5.786 6.337 -8.695 364 HH22 ARG 18 2HH2 ARG 18 4.112 6.577 -8.542 365 H SER 19 H SER 19 1.951 -0.433 -5.355 366 HA SER 19 HA SER 19 -0.071 0.983 -6.776 367 HB2 SER 19 2HB SER 19 0.042 -1.521 -6.713 368 HB3 SER 19 1HB SER 19 -0.370 -1.467 -5.008 369 HG SER 19 HG SER 19 -1.950 -0.345 -7.050 370 H LEU 20 H LEU 20 0.609 0.283 -3.337 371 HA LEU 20 HA LEU 20 -1.612 1.873 -2.432 372 HB2 LEU 20 2HB LEU 20 0.903 1.634 -0.723 373 HB3 LEU 20 1HB LEU 20 -0.714 1.986 -0.294 374 HG LEU 20 HG LEU 20 -1.311 -0.416 -0.932 375 HD11 LEU 20 1HD1 LEU 20 0.491 -1.995 -0.654 376 HD12 LEU 20 2HD1 LEU 20 1.641 -0.670 -0.501 377 HD13 LEU 20 3HD1 LEU 20 0.805 -0.941 -2.034 378 HD21 LEU 20 3HD2 LEU 20 0.425 0.157 1.441 379 HD22 LEU 20 1HD2 LEU 20 -0.737 -1.159 1.294 380 HD23 LEU 20 2HD2 LEU 20 -1.307 0.515 1.337 381 H ALA 21 H ALA 21 1.618 2.454 -3.199 382 HA ALA 21 HA ALA 21 1.823 5.119 -2.346 383 HB1 ALA 21 1HB ALA 21 3.736 3.729 -3.076 384 HB2 ALA 21 2HB ALA 21 3.742 5.371 -3.718 385 HB3 ALA 21 3HB ALA 21 3.242 4.027 -4.743 386 H ARG 22 H ARG 22 0.218 3.920 -5.229 387 HA ARG 22 HA ARG 22 0.144 6.600 -6.321 388 HB2 ARG 22 2HB ARG 22 -1.193 5.727 -8.170 389 HB3 ARG 22 1HB ARG 22 0.245 4.752 -7.933 390 HG2 ARG 22 2HG ARG 22 -1.045 3.015 -6.914 391 HG3 ARG 22 1HG ARG 22 -2.490 4.024 -6.935 392 HD2 ARG 22 2HD ARG 22 -2.525 2.402 -8.756 393 HD3 ARG 22 1HD ARG 22 -2.455 4.050 -9.364 394 HE ARG 22 HE ARG 22 0.153 3.056 -9.157 395 HH11 ARG 22 1HH1 ARG 22 -2.757 2.520 -11.109 396 HH12 ARG 22 2HH1 ARG 22 -1.890 2.045 -12.493 397 HH21 ARG 22 1HH2 ARG 22 1.319 2.410 -11.060 398 HH22 ARG 22 2HH2 ARG 22 0.474 2.003 -12.470 399 H PHE 23 H PHE 23 -1.535 5.000 -3.987 400 HA PHE 23 HA PHE 23 -3.838 6.771 -4.371 401 HB2 PHE 23 2HB PHE 23 -3.726 4.125 -2.912 402 HB3 PHE 23 1HB PHE 23 -5.087 5.229 -2.823 403 HD1 PHE 23 2HD PHE 23 -6.464 5.636 -4.835 404 HD2 PHE 23 1HD PHE 23 -3.396 2.699 -4.788 405 HE1 PHE 23 2HE PHE 23 -7.446 4.578 -6.821 406 HE2 PHE 23 1HE PHE 23 -4.371 1.637 -6.772 407 HZ PHE 23 HZ PHE 23 -6.403 2.576 -7.795 408 H CYS 24 H CYS 24 -2.659 5.101 -1.589 409 HA CYS 24 HA CYS 24 -2.485 5.695 0.577 410 HB2 CYS 24 2HB CYS 24 -1.146 8.101 -0.679 411 HB3 CYS 24 1HB CYS 24 -1.117 7.778 1.054 412 HN1 NH2 25 HT1 CYS 24 -4.562 5.762 1.164 413 HN2 NH2 25 HT2 CYS 24 -5.467 7.217 1.363 Start of MODEL 3 1 H1 ASP 1 1HT ASP 1 12.108 -4.492 0.032 2 H2 ASP 1 2HT ASP 1 10.574 -3.948 0.503 3 H3 ASP 1 3HT ASP 1 11.723 -4.367 1.663 4 HA ASP 1 HA ASP 1 11.493 -1.974 1.466 5 HB2 ASP 1 2HB ASP 1 14.156 -3.127 0.598 6 HB3 ASP 1 1HB ASP 1 13.918 -1.468 1.118 7 H SER 2 H SER 2 11.668 -3.638 -1.502 8 HA SER 2 HA SER 2 12.343 -1.349 -3.052 9 HB2 SER 2 2HB SER 2 11.226 -4.012 -3.879 10 HB3 SER 2 1HB SER 2 12.073 -2.862 -4.898 11 HG SER 2 HG SER 2 13.922 -3.143 -3.638 12 H TRP 3 H TRP 3 10.939 -0.339 -4.421 13 HA TRP 3 HA TRP 3 8.198 -0.265 -3.464 14 HB2 TRP 3 2HB TRP 3 9.605 1.567 -5.423 15 HB3 TRP 3 1HB TRP 3 8.000 1.825 -4.741 16 HD1 TRP 3 HD TRP 3 11.264 3.181 -4.312 17 HE1 TRP 3 1HE TRP 3 11.692 4.025 -1.926 18 HE3 TRP 3 3HE TRP 3 7.439 0.814 -1.917 19 HZ2 TRP 3 2HZ TRP 3 10.561 3.715 0.649 20 HZ3 TRP 3 3HZ TRP 3 7.177 1.094 0.457 21 HH2 TRP 3 HH TRP 3 8.705 2.528 1.758 22 H MET 4 H MET 4 10.055 -0.844 -6.355 23 HA MET 4 HA MET 4 7.851 -1.255 -8.100 24 HB2 MET 4 2HB MET 4 10.666 -2.341 -8.282 25 HB3 MET 4 1HB MET 4 9.487 -2.352 -9.578 26 HG2 MET 4 2HG MET 4 10.707 0.085 -8.304 27 HG3 MET 4 1HG MET 4 11.129 -0.606 -9.870 28 HE1 MET 4 3HE MET 4 7.901 0.060 -11.969 29 HE2 MET 4 1HE MET 4 8.236 -1.400 -11.034 30 HE3 MET 4 2HE MET 4 9.527 -0.620 -11.941 31 H GLU 5 H GLU 5 9.915 -3.318 -6.192 32 HA GLU 5 HA GLU 5 8.209 -5.598 -6.838 33 HB2 GLU 5 2HB GLU 5 11.129 -5.568 -6.091 34 HB3 GLU 5 1HB GLU 5 10.174 -7.002 -6.419 35 HG2 GLU 5 2HG GLU 5 10.770 -4.807 -8.394 36 HG3 GLU 5 1HG GLU 5 11.587 -6.366 -8.320 37 H GLU 6 H GLU 6 6.811 -5.052 -5.071 38 HA GLU 6 HA GLU 6 7.476 -6.639 -2.856 39 HB2 GLU 6 2HB GLU 6 8.279 -4.089 -2.212 40 HB3 GLU 6 1HB GLU 6 6.545 -3.963 -2.056 41 HG2 GLU 6 2HG GLU 6 6.354 -5.569 -0.371 42 HG3 GLU 6 1HG GLU 6 8.030 -6.056 -0.545 43 H VAL 7 H VAL 7 5.665 -7.180 -1.796 44 HA VAL 7 HA VAL 7 3.105 -6.101 -2.493 45 HB VAL 7 HB VAL 7 3.347 -7.675 -4.358 46 HG11 VAL 7 1HG1 VAL 7 3.654 -10.075 -4.036 47 HG12 VAL 7 2HG1 VAL 7 3.867 -9.813 -2.305 48 HG13 VAL 7 3HG1 VAL 7 5.037 -9.151 -3.447 49 HG21 VAL 7 3HG2 VAL 7 1.455 -8.775 -2.258 50 HG22 VAL 7 1HG2 VAL 7 1.381 -9.136 -3.981 51 HG23 VAL 7 2HG2 VAL 7 1.098 -7.496 -3.400 52 H ILE 8 H ILE 8 1.892 -6.084 -0.814 53 HA ILE 8 HA ILE 8 2.557 -7.912 1.362 54 HB ILE 8 HB ILE 8 2.103 -6.120 2.979 55 HG12 ILE 8 2HG1 ILE 8 1.898 -4.402 0.510 56 HG13 ILE 8 1HG1 ILE 8 0.628 -4.721 1.667 57 HG21 ILE 8 1HG2 ILE 8 4.403 -6.565 2.371 58 HG22 ILE 8 2HG2 ILE 8 4.169 -4.835 2.645 59 HG23 ILE 8 3HG2 ILE 8 4.278 -5.460 1.000 60 HD11 ILE 8 3HD1 ILE 8 1.527 -2.477 1.979 61 HD12 ILE 8 1HD1 ILE 8 3.136 -3.148 2.228 62 HD13 ILE 8 2HD1 ILE 8 1.858 -3.477 3.393 63 H LYS 9 H LYS 9 0.815 -7.873 2.979 64 HA LYS 9 HA LYS 9 -1.807 -7.556 1.736 65 HB2 LYS 9 2HB LYS 9 -0.937 -9.882 3.456 66 HB3 LYS 9 1HB LYS 9 -2.599 -9.547 3.001 67 HG2 LYS 9 2HG LYS 9 -1.980 -9.842 0.640 68 HG3 LYS 9 1HG LYS 9 -0.336 -10.230 1.147 69 HD2 LYS 9 2HD LYS 9 -1.577 -12.290 0.724 70 HD3 LYS 9 1HD LYS 9 -1.237 -12.150 2.450 71 HE2 LYS 9 2HE LYS 9 -3.519 -11.294 2.820 72 HE3 LYS 9 1HE LYS 9 -3.850 -11.448 1.096 73 HZ1 LYS 9 3HZ LYS 9 -3.460 -13.855 1.343 74 HZ2 LYS 9 1HZ LYS 9 -4.746 -13.300 2.275 75 HZ3 LYS 9 2HZ LYS 9 -3.268 -13.653 2.998 76 H LEU 10 H LEU 10 -2.032 -5.665 2.776 77 HA LEU 10 HA LEU 10 -2.414 -5.869 5.675 78 HB2 LEU 10 2HB LEU 10 -1.254 -3.607 4.099 79 HB3 LEU 10 1HB LEU 10 -2.148 -3.283 5.545 80 HG LEU 10 HG LEU 10 -0.633 -4.515 6.899 81 HD11 LEU 10 1HD1 LEU 10 0.130 -6.254 5.359 82 HD12 LEU 10 2HD1 LEU 10 1.528 -5.388 6.002 83 HD13 LEU 10 3HD1 LEU 10 0.946 -5.047 4.372 84 HD21 LEU 10 3HD2 LEU 10 0.792 -2.588 5.095 85 HD22 LEU 10 1HD2 LEU 10 1.358 -3.092 6.684 86 HD23 LEU 10 2HD2 LEU 10 -0.152 -2.195 6.527 87 H CYS 11 H CYS 11 -3.857 -4.069 6.408 88 HA CYS 11 HA CYS 11 -6.002 -3.440 4.600 89 HB2 CYS 11 2HB CYS 11 -6.400 -5.734 4.883 90 HB3 CYS 11 1HB CYS 11 -6.372 -5.639 6.652 91 H GLY 12 H GLY 12 -7.692 -2.459 5.745 92 HA2 GLY 12 2HA GLY 12 -8.483 -0.780 7.181 93 HA3 GLY 12 1HA GLY 12 -7.769 -1.767 8.433 94 H ARG 13 H ARG 13 -6.766 -0.507 9.701 95 HA ARG 13 HA ARG 13 -5.629 1.966 8.978 96 HB2 ARG 13 2HB ARG 13 -6.448 1.599 11.238 97 HB3 ARG 13 1HB ARG 13 -5.231 0.355 11.500 98 HG2 ARG 13 2HG ARG 13 -3.467 2.030 11.223 99 HG3 ARG 13 1HG ARG 13 -4.695 3.270 10.990 100 HD2 ARG 13 2HD ARG 13 -5.508 2.929 13.231 101 HD3 ARG 13 1HD ARG 13 -4.391 1.579 13.457 102 HE ARG 13 HE ARG 13 -3.100 4.032 12.750 103 HH11 ARG 13 1HH1 ARG 13 -4.413 2.199 15.487 104 HH12 ARG 13 2HH1 ARG 13 -3.367 2.894 16.633 105 HH21 ARG 13 1HH2 ARG 13 -1.681 4.986 14.301 106 HH22 ARG 13 2HH2 ARG 13 -1.784 4.526 15.950 107 H GLU 14 H GLU 14 -4.200 -1.306 9.249 108 HA GLU 14 HA GLU 14 -1.504 -0.393 9.375 109 HB2 GLU 14 2HB GLU 14 -2.689 -2.986 8.402 110 HB3 GLU 14 1HB GLU 14 -0.968 -2.689 8.514 111 HG2 GLU 14 2HG GLU 14 -1.206 -2.385 10.941 112 HG3 GLU 14 1HG GLU 14 -2.928 -2.760 10.797 113 H LEU 15 H LEU 15 -3.751 -1.070 6.859 114 HA LEU 15 HA LEU 15 -1.968 -1.067 4.676 115 HB2 LEU 15 2HB LEU 15 -4.310 -1.910 4.713 116 HB3 LEU 15 1HB LEU 15 -4.866 -0.254 4.767 117 HG LEU 15 HG LEU 15 -3.882 0.126 2.533 118 HD11 LEU 15 1HD1 LEU 15 -3.140 -1.805 1.240 119 HD12 LEU 15 2HD1 LEU 15 -3.327 -2.829 2.663 120 HD13 LEU 15 3HD1 LEU 15 -2.109 -1.552 2.648 121 HD21 LEU 15 3HD2 LEU 15 -5.480 -1.255 1.316 122 HD22 LEU 15 1HD2 LEU 15 -6.211 -0.507 2.743 123 HD23 LEU 15 2HD2 LEU 15 -5.755 -2.209 2.780 124 H VAL 16 H VAL 16 -3.909 1.432 6.244 125 HA VAL 16 HA VAL 16 -3.094 3.601 4.563 126 HB VAL 16 HB VAL 16 -4.168 3.646 7.410 127 HG11 VAL 16 1HG1 VAL 16 -3.125 5.764 6.840 128 HG12 VAL 16 2HG1 VAL 16 -4.879 5.938 6.924 129 HG13 VAL 16 3HG1 VAL 16 -4.075 5.852 5.355 130 HG21 VAL 16 3HG2 VAL 16 -5.703 2.520 5.929 131 HG22 VAL 16 1HG2 VAL 16 -5.606 3.849 4.774 132 HG23 VAL 16 2HG2 VAL 16 -6.342 4.110 6.351 133 H ARG 17 H ARG 17 -1.907 2.280 7.572 134 HA ARG 17 HA ARG 17 0.029 4.222 8.134 135 HB2 ARG 17 2HB ARG 17 -0.116 1.311 8.839 136 HB3 ARG 17 1HB ARG 17 1.163 2.329 9.453 137 HG2 ARG 17 2HG ARG 17 -0.539 3.782 10.481 138 HG3 ARG 17 1HG ARG 17 -1.788 2.682 9.901 139 HD2 ARG 17 2HD ARG 17 -1.303 2.196 12.214 140 HD3 ARG 17 1HD ARG 17 -0.747 0.867 11.200 141 HE ARG 17 HE ARG 17 1.364 2.662 11.608 142 HH11 ARG 17 1HH1 ARG 17 -0.554 0.307 13.427 143 HH12 ARG 17 2HH1 ARG 17 0.703 -0.080 14.518 144 HH21 ARG 17 1HH2 ARG 17 3.089 2.122 13.155 145 HH22 ARG 17 2HH2 ARG 17 2.775 0.969 14.362 146 H ALA 18 H ALA 18 0.215 1.335 6.219 147 HA ALA 18 HA ALA 18 2.958 1.580 5.540 148 HB1 ALA 18 1HB ALA 18 2.479 -0.019 3.747 149 HB2 ALA 18 2HB ALA 18 0.748 0.210 4.003 150 HB3 ALA 18 3HB ALA 18 1.737 -0.527 5.264 151 H GLN 19 H GLN 19 -0.010 2.543 3.907 152 HA GLN 19 HA GLN 19 0.902 3.672 1.575 153 HB2 GLN 19 2HB GLN 19 -1.335 4.319 3.428 154 HB3 GLN 19 1HB GLN 19 -1.183 5.257 1.970 155 HG2 GLN 19 2HG GLN 19 -1.352 3.287 0.659 156 HG3 GLN 19 1HG GLN 19 -1.359 2.247 2.098 157 HE21 GLN 19 1HE2 GLN 19 -3.143 2.199 0.026 158 HE22 GLN 19 2HE2 GLN 19 -4.703 2.650 0.609 159 H ILE 20 H ILE 20 0.250 5.398 4.560 160 HA ILE 20 HA ILE 20 1.396 7.834 3.822 161 HB ILE 20 HB ILE 20 0.575 6.654 6.441 162 HG12 ILE 20 2HG1 ILE 20 -0.863 8.650 6.554 163 HG13 ILE 20 1HG1 ILE 20 -0.136 9.262 5.081 164 HG21 ILE 20 1HG2 ILE 20 2.647 7.730 7.086 165 HG22 ILE 20 2HG2 ILE 20 1.270 8.633 7.715 166 HG23 ILE 20 3HG2 ILE 20 2.140 9.225 6.299 167 HD11 ILE 20 3HD1 ILE 20 -1.817 6.779 5.348 168 HD12 ILE 20 1HD1 ILE 20 -1.079 7.361 3.856 169 HD13 ILE 20 2HD1 ILE 20 -2.318 8.324 4.656 170 H ALA 21 H ALA 21 2.913 5.031 5.295 171 HA ALA 21 HA ALA 21 5.380 6.268 5.913 172 HB1 ALA 21 1HB ALA 21 4.859 3.368 5.236 173 HB2 ALA 21 2HB ALA 21 4.741 4.078 6.845 174 HB3 ALA 21 3HB ALA 21 6.302 4.000 6.028 175 H ILE 22 H ILE 22 4.235 4.531 3.066 176 HA ILE 22 HA ILE 22 6.603 4.628 1.532 177 HB ILE 22 HB ILE 22 3.778 4.762 0.442 178 HG12 ILE 22 2HG1 ILE 22 5.451 2.298 0.921 179 HG13 ILE 22 1HG1 ILE 22 4.166 2.833 2.001 180 HG21 ILE 22 1HG2 ILE 22 6.374 3.829 -0.788 181 HG22 ILE 22 2HG2 ILE 22 5.463 5.276 -1.230 182 HG23 ILE 22 3HG2 ILE 22 4.785 3.673 -1.531 183 HD11 ILE 22 3HD1 ILE 22 3.348 1.095 0.533 184 HD12 ILE 22 1HD1 ILE 22 3.849 2.030 -0.882 185 HD13 ILE 22 2HD1 ILE 22 2.570 2.634 0.167 186 H CYS 23 H CYS 23 3.942 6.870 1.915 187 HA CYS 23 HA CYS 23 4.817 8.637 -0.133 188 HB2 CYS 23 2HB CYS 23 2.838 8.840 2.079 189 HB3 CYS 23 1HB CYS 23 3.161 10.172 0.975 190 H GLY 24 H GLY 24 5.419 8.351 3.174 191 HA2 GLY 24 2HA GLY 24 6.730 10.879 3.517 192 HA3 GLY 24 1HA GLY 24 6.883 9.502 4.607 193 H MET 25 H MET 25 7.638 7.904 2.121 194 HA MET 25 HA MET 25 10.467 8.743 1.923 195 HB2 MET 25 2HB MET 25 9.315 5.946 2.116 196 HB3 MET 25 1HB MET 25 11.003 6.300 1.803 197 HG2 MET 25 2HG MET 25 11.224 7.307 4.005 198 HG3 MET 25 1HG MET 25 9.510 7.045 4.314 199 HE1 MET 25 3HE MET 25 9.293 3.132 4.526 200 HE2 MET 25 1HE MET 25 9.039 4.121 3.088 201 HE3 MET 25 2HE MET 25 8.411 4.653 4.645 202 H SER 26 H SER 26 8.400 9.482 0.138 203 HA SER 26 HA SER 26 8.422 7.571 -2.032 204 HB2 SER 26 2HB SER 26 6.292 8.679 -1.434 205 HB3 SER 26 1HB SER 26 6.978 10.238 -1.887 206 HG SER 26 HG SER 26 7.246 9.341 -4.023 207 H THR 27 H THR 27 10.750 7.934 -2.087 208 HA THR 27 HA THR 27 11.670 10.226 -3.580 209 HB THR 27 HB THR 27 13.145 7.648 -3.046 210 HG1 THR 27 1HG THR 27 12.493 9.834 -1.394 211 HG21 THR 27 3HG2 THR 27 14.245 9.211 -4.609 212 HG22 THR 27 1HG2 THR 27 15.144 9.101 -3.096 213 HG23 THR 27 2HG2 THR 27 14.117 10.498 -3.410 214 H TRP 28 H TRP 28 10.346 7.344 -4.133 215 HA TRP 28 HA TRP 28 10.830 7.394 -7.040 216 HB2 TRP 28 2HB TRP 28 10.597 4.874 -5.364 217 HB3 TRP 28 1HB TRP 28 10.870 4.951 -7.098 218 HD1 TRP 28 HD TRP 28 12.668 5.069 -3.782 219 HE1 TRP 28 1HE TRP 28 15.205 5.146 -4.167 220 HE3 TRP 28 3HE TRP 28 12.688 5.863 -8.832 221 HZ2 TRP 28 2HZ TRP 28 16.986 5.487 -6.332 222 HZ3 TRP 28 3HZ TRP 28 14.853 6.047 -9.984 223 HH2 TRP 28 HH TRP 28 16.956 5.864 -8.760 224 H SER 29 H SER 29 8.998 6.183 -8.162 225 HA SER 29 HA SER 29 6.534 6.881 -6.831 226 HB2 SER 29 2HB SER 29 6.940 7.622 -9.181 227 HB3 SER 29 1HB SER 29 7.063 5.939 -9.672 228 HG SER 29 HG SER 29 4.764 7.090 -8.462 229 HN1 NH2 30 HT1 SER 29 6.106 5.330 -5.401 230 HN2 NH2 30 HT2 SER 29 6.019 3.631 -5.722 231 HA PCA 1 HA PCA 1 -13.951 5.183 -6.019 232 HB2 PCA 1 2HB PCA 1 -13.292 4.565 -3.288 233 HB3 PCA 1 1HB PCA 1 -14.101 6.034 -3.902 234 HG2 PCA 1 2HG PCA 1 -15.269 3.936 -2.358 235 HG3 PCA 1 1HG PCA 1 -16.141 5.283 -3.170 236 H LEU 2 H LEU 2 -11.838 4.839 -6.444 237 HA LEU 2 HA LEU 2 -10.935 2.067 -6.415 238 HB2 LEU 2 2HB LEU 2 -9.625 4.530 -7.573 239 HB3 LEU 2 1HB LEU 2 -8.904 2.938 -7.584 240 HG LEU 2 HG LEU 2 -10.823 2.156 -9.003 241 HD11 LEU 2 1HD1 LEU 2 -12.456 3.870 -8.459 242 HD12 LEU 2 2HD1 LEU 2 -12.163 3.793 -10.195 243 HD13 LEU 2 3HD1 LEU 2 -11.449 5.091 -9.239 244 HD21 LEU 2 3HD2 LEU 2 -9.125 4.383 -10.109 245 HD22 LEU 2 1HD2 LEU 2 -9.960 3.154 -11.059 246 HD23 LEU 2 2HD2 LEU 2 -8.660 2.687 -9.964 247 H TYR 3 H TYR 3 -10.498 4.669 -4.433 248 HA TYR 3 HA TYR 3 -8.211 3.546 -3.290 249 HB2 TYR 3 2HB TYR 3 -8.795 5.848 -2.754 250 HB3 TYR 3 1HB TYR 3 -10.302 5.307 -1.989 251 HD1 TYR 3 1HD TYR 3 -6.703 4.567 -1.923 252 HD2 TYR 3 2HD TYR 3 -10.287 5.007 0.265 253 HE1 TYR 3 1HE TYR 3 -5.514 4.008 0.025 254 HE2 TYR 3 2HE TYR 3 -9.139 4.463 2.306 255 HH TYR 3 HH TYR 3 -5.665 4.225 2.508 256 H SER 4 H SER 4 -11.676 3.153 -2.599 257 HA SER 4 HA SER 4 -11.378 1.317 -0.515 258 HB2 SER 4 2HB SER 4 -13.658 1.618 -2.477 259 HB3 SER 4 1HB SER 4 -13.748 0.889 -0.869 260 HG SER 4 HG SER 4 -13.242 2.883 0.025 261 H ALA 5 H ALA 5 -11.361 1.011 -3.998 262 HA ALA 5 HA ALA 5 -11.600 -1.771 -4.219 263 HB1 ALA 5 1HB ALA 5 -10.017 0.102 -5.988 264 HB2 ALA 5 2HB ALA 5 -11.736 -0.249 -6.159 265 HB3 ALA 5 3HB ALA 5 -10.544 -1.524 -6.418 266 H LEU 6 H LEU 6 -8.664 0.273 -4.070 267 HA LEU 6 HA LEU 6 -6.794 -1.818 -3.890 268 HB2 LEU 6 2HB LEU 6 -6.009 0.448 -4.254 269 HB3 LEU 6 1HB LEU 6 -6.676 0.973 -2.720 270 HG LEU 6 HG LEU 6 -5.070 -0.544 -1.559 271 HD11 LEU 6 1HD1 LEU 6 -4.644 -2.117 -3.300 272 HD12 LEU 6 2HD1 LEU 6 -3.137 -1.374 -2.767 273 HD13 LEU 6 3HD1 LEU 6 -3.880 -0.871 -4.285 274 HD21 LEU 6 3HD2 LEU 6 -4.565 1.838 -1.772 275 HD22 LEU 6 1HD2 LEU 6 -3.778 1.537 -3.321 276 HD23 LEU 6 2HD2 LEU 6 -3.101 0.863 -1.838 277 H ALA 7 H ALA 7 -8.567 -0.112 -1.393 278 HA ALA 7 HA ALA 7 -7.396 -1.212 0.861 279 HB1 ALA 7 1HB ALA 7 -9.425 -0.617 2.051 280 HB2 ALA 7 2HB ALA 7 -10.293 -0.460 0.525 281 HB3 ALA 7 3HB ALA 7 -8.987 0.660 0.914 282 H ASN 8 H ASN 8 -10.280 -2.346 -0.839 283 HA ASN 8 HA ASN 8 -10.603 -4.678 0.731 284 HB2 ASN 8 2HB ASN 8 -11.684 -3.963 -2.002 285 HB3 ASN 8 1HB ASN 8 -12.146 -5.409 -1.116 286 HD21 ASN 8 1HD2 ASN 8 -14.303 -4.701 -1.102 287 HD22 ASN 8 2HD2 ASN 8 -14.829 -3.412 -0.064 288 H LYS 9 H LYS 9 -9.144 -4.140 -2.438 289 HA LYS 9 HA LYS 9 -8.598 -6.832 -2.945 290 HB2 LYS 9 2HB LYS 9 -7.374 -4.317 -4.008 291 HB3 LYS 9 1HB LYS 9 -6.836 -5.884 -4.568 292 HG2 LYS 9 2HG LYS 9 -9.155 -6.371 -5.300 293 HG3 LYS 9 1HG LYS 9 -9.631 -4.765 -4.756 294 HD2 LYS 9 2HD LYS 9 -9.280 -4.780 -7.164 295 HD3 LYS 9 1HD LYS 9 -8.071 -3.768 -6.374 296 HE2 LYS 9 2HE LYS 9 -6.426 -5.513 -6.566 297 HE3 LYS 9 1HE LYS 9 -7.621 -6.631 -7.219 298 HZ1 LYS 9 3HZ LYS 9 -6.277 -5.701 -8.982 299 HZ2 LYS 9 1HZ LYS 9 -6.674 -4.125 -8.505 300 HZ3 LYS 9 2HZ LYS 9 -7.858 -5.124 -9.121 301 H CYS 10 H CYS 10 -6.579 -4.427 -1.336 302 HA CYS 10 HA CYS 10 -4.389 -6.314 -1.113 303 HB2 CYS 10 2HB CYS 10 -4.215 -3.751 -1.151 304 HB3 CYS 10 1HB CYS 10 -4.796 -3.806 0.504 305 H CYS 11 H CYS 11 -7.210 -5.498 0.708 306 HA CYS 11 HA CYS 11 -6.365 -6.631 3.143 307 HB2 CYS 11 2HB CYS 11 -8.220 -4.981 2.876 308 HB3 CYS 11 1HB CYS 11 -9.196 -6.236 2.120 309 H HIS 12 H HIS 12 -7.961 -7.829 0.266 310 HA HIS 12 HA HIS 12 -8.204 -10.464 1.455 311 HB2 HIS 12 2HB HIS 12 -9.188 -9.371 -1.170 312 HB3 HIS 12 1HB HIS 12 -9.331 -11.072 -0.741 313 HD1 HIS 12 1HD HIS 12 -11.372 -11.694 0.687 314 HD2 HIS 12 2HD HIS 12 -10.637 -7.610 0.540 315 HE1 HIS 12 1HE HIS 12 -13.315 -10.586 1.826 316 H VAL 13 H VAL 13 -6.924 -9.344 -1.704 317 HA VAL 13 HA VAL 13 -5.318 -11.757 -1.675 318 HB VAL 13 HB VAL 13 -4.674 -11.176 -3.989 319 HG11 VAL 13 1HG1 VAL 13 -6.489 -12.763 -3.555 320 HG12 VAL 13 2HG1 VAL 13 -6.906 -11.796 -4.973 321 HG13 VAL 13 3HG1 VAL 13 -7.638 -11.433 -3.410 322 HG21 VAL 13 3HG2 VAL 13 -6.076 -9.561 -5.266 323 HG22 VAL 13 1HG2 VAL 13 -5.062 -8.792 -4.043 324 HG23 VAL 13 2HG2 VAL 13 -6.780 -9.026 -3.739 325 H GLY 14 H GLY 14 -4.790 -8.358 -2.059 326 HA2 GLY 14 2HA GLY 14 -2.858 -7.658 -0.464 327 HA3 GLY 14 1HA GLY 14 -1.941 -8.775 -1.422 328 H CYS 15 H CYS 15 -0.969 -6.387 -1.402 329 HA CYS 15 HA CYS 15 -1.586 -5.384 -4.061 330 HB2 CYS 15 2HB CYS 15 -1.530 -3.087 -3.230 331 HB3 CYS 15 1HB CYS 15 -2.926 -4.001 -2.700 332 H THR 16 H THR 16 0.076 -4.201 -4.971 333 HA THR 16 HA THR 16 2.656 -4.863 -3.945 334 HB THR 16 HB THR 16 3.427 -3.642 -6.034 335 HG1 THR 16 1HG THR 16 0.861 -3.929 -7.079 336 HG21 THR 16 3HG2 THR 16 1.566 -5.995 -6.367 337 HG22 THR 16 1HG2 THR 16 3.279 -6.072 -5.957 338 HG23 THR 16 2HG2 THR 16 2.780 -5.479 -7.541 339 H LYS 17 H LYS 17 4.173 -3.304 -3.603 340 HA LYS 17 HA LYS 17 3.245 -1.206 -1.897 341 HB2 LYS 17 2HB LYS 17 5.442 -2.569 -2.032 342 HB3 LYS 17 1HB LYS 17 6.103 -1.219 -2.926 343 HG2 LYS 17 2HG LYS 17 6.669 -1.099 -0.674 344 HG3 LYS 17 1HG LYS 17 5.495 0.212 -0.969 345 HD2 LYS 17 2HD LYS 17 3.736 -1.215 0.016 346 HD3 LYS 17 1HD LYS 17 4.917 -2.502 0.246 347 HE2 LYS 17 2HE LYS 17 4.998 0.220 1.531 348 HE3 LYS 17 1HE LYS 17 4.458 -1.269 2.303 349 HZ1 LYS 17 3HZ LYS 17 6.685 -0.896 2.948 350 HZ2 LYS 17 1HZ LYS 17 7.202 -0.648 1.350 351 HZ3 LYS 17 2HZ LYS 17 6.698 -2.170 1.820 352 H ARG 18 H ARG 18 4.276 -1.142 -5.237 353 HA ARG 18 HA ARG 18 4.108 1.655 -5.623 354 HB2 ARG 18 2HB ARG 18 3.807 -0.691 -7.441 355 HB3 ARG 18 1HB ARG 18 3.435 0.920 -8.022 356 HG2 ARG 18 2HG ARG 18 5.696 1.633 -7.541 357 HG3 ARG 18 1HG ARG 18 6.066 0.038 -6.876 358 HD2 ARG 18 2HD ARG 18 5.109 0.502 -9.685 359 HD3 ARG 18 1HD ARG 18 6.811 0.387 -9.239 360 HE ARG 18 HE ARG 18 5.941 -1.879 -8.243 361 HH11 ARG 18 1HH1 ARG 18 5.064 -0.449 -11.363 362 HH12 ARG 18 2HH1 ARG 18 4.952 -1.940 -12.170 363 HH21 ARG 18 1HH2 ARG 18 5.817 -3.929 -9.351 364 HH22 ARG 18 2HH2 ARG 18 5.344 -3.981 -10.980 365 H SER 19 H SER 19 1.689 -0.754 -5.256 366 HA SER 19 HA SER 19 -0.397 0.641 -6.583 367 HB2 SER 19 2HB SER 19 -0.318 -1.831 -6.405 368 HB3 SER 19 1HB SER 19 -0.477 -1.715 -4.665 369 HG SER 19 HG SER 19 -2.369 -0.779 -6.559 370 H LEU 20 H LEU 20 0.617 0.135 -3.199 371 HA LEU 20 HA LEU 20 -1.484 1.868 -2.207 372 HB2 LEU 20 2HB LEU 20 1.057 1.543 -0.624 373 HB3 LEU 20 1HB LEU 20 -0.532 1.849 -0.095 374 HG LEU 20 HG LEU 20 -1.104 -0.564 -0.712 375 HD11 LEU 20 1HD1 LEU 20 1.877 -0.685 -0.525 376 HD12 LEU 20 2HD1 LEU 20 0.923 -1.053 -1.971 377 HD13 LEU 20 3HD1 LEU 20 0.799 -2.075 -0.538 378 HD21 LEU 20 3HD2 LEU 20 -0.266 -1.313 1.446 379 HD22 LEU 20 1HD2 LEU 20 -0.992 0.293 1.547 380 HD23 LEU 20 2HD2 LEU 20 0.765 0.113 1.534 381 H ALA 21 H ALA 21 1.704 2.254 -3.247 382 HA ALA 21 HA ALA 21 2.202 4.875 -2.333 383 HB1 ALA 21 1HB ALA 21 3.299 3.643 -4.841 384 HB2 ALA 21 2HB ALA 21 3.910 3.317 -3.235 385 HB3 ALA 21 3HB ALA 21 4.020 4.953 -3.902 386 H ARG 22 H ARG 22 0.521 3.741 -5.178 387 HA ARG 22 HA ARG 22 0.472 6.393 -6.316 388 HB2 ARG 22 2HB ARG 22 -0.710 5.422 -8.190 389 HB3 ARG 22 1HB ARG 22 0.726 4.485 -7.817 390 HG2 ARG 22 2HG ARG 22 -0.769 2.891 -6.595 391 HG3 ARG 22 1HG ARG 22 -2.138 3.794 -7.243 392 HD2 ARG 22 2HD ARG 22 -0.000 2.387 -8.831 393 HD3 ARG 22 1HD ARG 22 -1.671 1.866 -8.626 394 HE ARG 22 HE ARG 22 -1.581 4.469 -9.709 395 HH11 ARG 22 1HH1 ARG 22 -0.994 1.111 -10.617 396 HH12 ARG 22 2HH1 ARG 22 -1.364 1.339 -12.259 397 HH21 ARG 22 1HH2 ARG 22 -2.081 4.802 -11.959 398 HH22 ARG 22 2HH2 ARG 22 -1.985 3.495 -13.044 399 H PHE 23 H PHE 23 -1.355 4.825 -4.051 400 HA PHE 23 HA PHE 23 -3.658 6.543 -4.654 401 HB2 PHE 23 2HB PHE 23 -3.500 4.019 -3.019 402 HB3 PHE 23 1HB PHE 23 -4.857 5.129 -2.887 403 HD1 PHE 23 1HD PHE 23 -3.155 2.709 -5.045 404 HD2 PHE 23 2HD PHE 23 -6.456 5.343 -4.654 405 HE1 PHE 23 1HE PHE 23 -4.234 1.624 -6.962 406 HE2 PHE 23 2HE PHE 23 -7.544 4.271 -6.567 407 HZ PHE 23 HZ PHE 23 -6.437 2.404 -7.731 408 H CYS 24 H CYS 24 -1.875 5.340 -1.958 409 HA CYS 24 HA CYS 24 -1.160 6.193 -0.021 410 HB2 CYS 24 2HB CYS 24 -0.150 7.859 -1.661 411 HB3 CYS 24 1HB CYS 24 -1.453 8.951 -1.223 412 HN1 NH2 25 HT1 CYS 24 -3.201 9.015 -0.643 413 HN2 NH2 25 HT2 CYS 24 -4.289 8.723 0.662 Start of MODEL 4 1 H1 ASP 1 1HT ASP 1 11.767 3.893 -3.064 2 H2 ASP 1 2HT ASP 1 11.981 5.044 -4.228 3 H3 ASP 1 3HT ASP 1 13.351 4.330 -3.589 4 HA ASP 1 HA ASP 1 11.334 3.217 -5.422 5 HB2 ASP 1 2HB ASP 1 13.256 2.935 -6.907 6 HB3 ASP 1 1HB ASP 1 13.122 4.623 -6.401 7 H SER 2 H SER 2 14.064 2.354 -3.330 8 HA SER 2 HA SER 2 14.251 -0.317 -4.051 9 HB2 SER 2 2HB SER 2 14.792 0.816 -1.313 10 HB3 SER 2 1HB SER 2 15.578 -0.578 -2.066 11 HG SER 2 HG SER 2 16.506 0.745 -3.552 12 H TRP 3 H TRP 3 11.994 1.142 -2.334 13 HA TRP 3 HA TRP 3 10.939 -1.197 -0.942 14 HB2 TRP 3 2HB TRP 3 9.310 0.467 0.079 15 HB3 TRP 3 1HB TRP 3 11.004 0.669 0.503 16 HD1 TRP 3 HD TRP 3 12.027 3.051 0.113 17 HE1 TRP 3 1HE TRP 3 11.206 5.216 -1.011 18 HE3 TRP 3 3HE TRP 3 7.701 1.337 -2.049 19 HZ2 TRP 3 2HZ TRP 3 9.089 6.083 -2.566 20 HZ3 TRP 3 3HZ TRP 3 6.353 2.902 -3.350 21 HH2 TRP 3 HH TRP 3 7.027 5.244 -3.607 22 H MET 4 H MET 4 10.533 0.154 -3.969 23 HA MET 4 HA MET 4 7.662 0.274 -3.951 24 HB2 MET 4 2HB MET 4 7.706 1.021 -6.199 25 HB3 MET 4 1HB MET 4 9.021 1.818 -5.364 26 HG2 MET 4 2HG MET 4 10.613 0.270 -6.380 27 HG3 MET 4 1HG MET 4 9.292 -0.544 -7.219 28 HE1 MET 4 3HE MET 4 10.588 -0.234 -9.505 29 HE2 MET 4 1HE MET 4 11.899 0.584 -8.657 30 HE3 MET 4 2HE MET 4 11.187 1.316 -10.095 31 H GLU 5 H GLU 5 9.986 -2.045 -4.987 32 HA GLU 5 HA GLU 5 7.893 -3.699 -6.170 33 HB2 GLU 5 2HB GLU 5 10.354 -3.506 -7.038 34 HB3 GLU 5 1HB GLU 5 10.775 -4.505 -5.662 35 HG2 GLU 5 2HG GLU 5 8.982 -5.289 -7.964 36 HG3 GLU 5 1HG GLU 5 10.643 -5.794 -7.721 37 H GLU 6 H GLU 6 6.592 -4.413 -4.620 38 HA GLU 6 HA GLU 6 7.449 -6.283 -2.698 39 HB2 GLU 6 2HB GLU 6 8.041 -3.869 -1.713 40 HB3 GLU 6 1HB GLU 6 6.299 -3.815 -1.597 41 HG2 GLU 6 2HG GLU 6 6.135 -5.510 -0.054 42 HG3 GLU 6 1HG GLU 6 7.800 -6.026 -0.325 43 H VAL 7 H VAL 7 5.642 -7.070 -1.638 44 HA VAL 7 HA VAL 7 3.026 -6.109 -2.389 45 HB VAL 7 HB VAL 7 3.506 -7.808 -4.136 46 HG11 VAL 7 1HG1 VAL 7 3.834 -9.777 -1.881 47 HG12 VAL 7 2HG1 VAL 7 5.102 -9.211 -2.965 48 HG13 VAL 7 3HG1 VAL 7 3.769 -10.180 -3.597 49 HG21 VAL 7 3HG2 VAL 7 1.200 -7.552 -3.413 50 HG22 VAL 7 1HG2 VAL 7 1.441 -8.741 -2.137 51 HG23 VAL 7 2HG2 VAL 7 1.521 -9.232 -3.828 52 H ILE 8 H ILE 8 1.688 -6.209 -0.744 53 HA ILE 8 HA ILE 8 2.465 -7.855 1.555 54 HB ILE 8 HB ILE 8 1.787 -6.055 3.075 55 HG12 ILE 8 2HG1 ILE 8 1.440 -4.443 0.546 56 HG13 ILE 8 1HG1 ILE 8 0.172 -4.921 1.651 57 HG21 ILE 8 1HG2 ILE 8 3.882 -5.188 1.089 58 HG22 ILE 8 2HG2 ILE 8 4.137 -6.217 2.500 59 HG23 ILE 8 3HG2 ILE 8 3.672 -4.524 2.709 60 HD11 ILE 8 3HD1 ILE 8 0.735 -2.577 1.959 61 HD12 ILE 8 1HD1 ILE 8 2.412 -3.012 2.292 62 HD13 ILE 8 2HD1 ILE 8 1.136 -3.515 3.398 63 H LYS 9 H LYS 9 0.593 -7.898 3.105 64 HA LYS 9 HA LYS 9 -1.974 -7.787 1.724 65 HB2 LYS 9 2HB LYS 9 -1.166 -10.141 1.648 66 HB3 LYS 9 1HB LYS 9 -1.039 -10.138 3.398 67 HG2 LYS 9 2HG LYS 9 -3.465 -9.848 3.576 68 HG3 LYS 9 1HG LYS 9 -3.593 -9.846 1.814 69 HD2 LYS 9 2HD LYS 9 -2.651 -12.108 1.751 70 HD3 LYS 9 1HD LYS 9 -2.532 -12.105 3.509 71 HE2 LYS 9 2HE LYS 9 -4.957 -11.915 3.671 72 HE3 LYS 9 1HE LYS 9 -5.077 -11.877 1.911 73 HZ1 LYS 9 3HZ LYS 9 -4.068 -14.147 3.547 74 HZ2 LYS 9 1HZ LYS 9 -4.110 -14.125 1.860 75 HZ3 LYS 9 2HZ LYS 9 -5.534 -14.077 2.733 76 H LEU 10 H LEU 10 -2.257 -5.911 2.868 77 HA LEU 10 HA LEU 10 -2.746 -6.193 5.764 78 HB2 LEU 10 2HB LEU 10 -1.466 -3.976 4.230 79 HB3 LEU 10 1HB LEU 10 -2.443 -3.567 5.599 80 HG LEU 10 HG LEU 10 -1.001 -4.785 7.093 81 HD11 LEU 10 1HD1 LEU 10 0.690 -5.411 4.668 82 HD12 LEU 10 2HD1 LEU 10 -0.240 -6.584 5.602 83 HD13 LEU 10 3HD1 LEU 10 1.133 -5.755 6.340 84 HD21 LEU 10 3HD2 LEU 10 0.615 -3.013 5.283 85 HD22 LEU 10 1HD2 LEU 10 0.970 -3.386 6.962 86 HD23 LEU 10 2HD2 LEU 10 -0.472 -2.447 6.535 87 H CYS 11 H CYS 11 -4.164 -4.307 6.428 88 HA CYS 11 HA CYS 11 -6.282 -3.916 4.449 89 HB2 CYS 11 2HB CYS 11 -6.935 -4.982 7.179 90 HB3 CYS 11 1HB CYS 11 -7.993 -4.675 5.806 91 H GLY 12 H GLY 12 -7.828 -2.336 5.096 92 HA2 GLY 12 2HA GLY 12 -8.462 -0.271 5.892 93 HA3 GLY 12 1HA GLY 12 -8.248 -1.076 7.414 94 H ARG 13 H ARG 13 -7.114 -0.182 8.695 95 HA ARG 13 HA ARG 13 -5.898 2.351 8.256 96 HB2 ARG 13 2HB ARG 13 -5.835 0.651 10.750 97 HB3 ARG 13 1HB ARG 13 -5.481 2.375 10.655 98 HG2 ARG 13 2HG ARG 13 -7.735 2.839 9.954 99 HG3 ARG 13 1HG ARG 13 -8.120 1.119 9.949 100 HD2 ARG 13 2HD ARG 13 -7.617 1.119 12.400 101 HD3 ARG 13 1HD ARG 13 -7.474 2.878 12.303 102 HE ARG 13 HE ARG 13 -9.885 1.944 11.142 103 HH11 ARG 13 1HH1 ARG 13 -8.424 2.685 14.282 104 HH12 ARG 13 2HH1 ARG 13 -9.897 2.983 15.065 105 HH21 ARG 13 1HH2 ARG 13 -11.928 2.331 12.207 106 HH22 ARG 13 2HH2 ARG 13 -11.951 2.792 13.848 107 H GLU 14 H GLU 14 -4.619 -0.898 8.363 108 HA GLU 14 HA GLU 14 -1.945 0.004 8.887 109 HB2 GLU 14 2HB GLU 14 -3.093 -2.634 8.041 110 HB3 GLU 14 1HB GLU 14 -1.374 -2.366 8.260 111 HG2 GLU 14 2HG GLU 14 -1.906 -1.648 10.611 112 HG3 GLU 14 1HG GLU 14 -3.551 -2.202 10.330 113 H LEU 15 H LEU 15 -3.938 -0.693 6.195 114 HA LEU 15 HA LEU 15 -2.000 -0.562 4.130 115 HB2 LEU 15 2HB LEU 15 -4.862 0.387 4.103 116 HB3 LEU 15 1HB LEU 15 -3.857 0.224 2.680 117 HG LEU 15 HG LEU 15 -4.633 -2.058 4.474 118 HD11 LEU 15 1HD1 LEU 15 -6.573 -1.097 3.359 119 HD12 LEU 15 2HD1 LEU 15 -6.154 -2.676 2.713 120 HD13 LEU 15 3HD1 LEU 15 -5.729 -1.207 1.807 121 HD21 LEU 15 3HD2 LEU 15 -3.398 -1.990 1.739 122 HD22 LEU 15 1HD2 LEU 15 -3.873 -3.402 2.685 123 HD23 LEU 15 2HD2 LEU 15 -2.559 -2.371 3.258 124 H VAL 16 H VAL 16 -3.922 1.855 5.777 125 HA VAL 16 HA VAL 16 -2.943 4.107 4.366 126 HB VAL 16 HB VAL 16 -4.032 4.019 7.206 127 HG11 VAL 16 1HG1 VAL 16 -4.629 6.373 6.842 128 HG12 VAL 16 2HG1 VAL 16 -3.861 6.318 5.255 129 HG13 VAL 16 3HG1 VAL 16 -2.888 6.116 6.712 130 HG21 VAL 16 3HG2 VAL 16 -5.623 3.040 5.651 131 HG22 VAL 16 1HG2 VAL 16 -5.495 4.451 4.604 132 HG23 VAL 16 2HG2 VAL 16 -6.201 4.609 6.212 133 H ARG 17 H ARG 17 -1.904 2.526 7.353 134 HA ARG 17 HA ARG 17 0.200 4.273 7.937 135 HB2 ARG 17 2HB ARG 17 -0.343 1.435 8.641 136 HB3 ARG 17 1HB ARG 17 1.234 2.088 9.018 137 HG2 ARG 17 2HG ARG 17 -1.415 3.149 9.984 138 HG3 ARG 17 1HG ARG 17 -0.256 2.210 10.923 139 HD2 ARG 17 2HD ARG 17 0.191 4.984 9.790 140 HD3 ARG 17 1HD ARG 17 -0.014 4.541 11.478 141 HE ARG 17 HE ARG 17 2.061 3.041 10.787 142 HH11 ARG 17 1HH1 ARG 17 1.483 6.526 10.427 143 HH12 ARG 17 2HH1 ARG 17 3.142 6.925 10.436 144 HH21 ARG 17 1HH2 ARG 17 4.327 3.629 10.830 145 HH22 ARG 17 2HH2 ARG 17 4.765 5.270 10.700 146 H ALA 18 H ALA 18 0.132 1.487 5.882 147 HA ALA 18 HA ALA 18 2.900 1.501 5.258 148 HB1 ALA 18 1HB ALA 18 2.295 0.046 3.366 149 HB2 ALA 18 2HB ALA 18 0.589 0.412 3.646 150 HB3 ALA 18 3HB ALA 18 1.510 -0.474 4.857 151 H GLN 19 H GLN 19 0.062 2.838 3.662 152 HA GLN 19 HA GLN 19 1.149 4.058 1.451 153 HB2 GLN 19 2HB GLN 19 -1.114 4.653 3.269 154 HB3 GLN 19 1HB GLN 19 -0.819 5.792 1.994 155 HG2 GLN 19 2HG GLN 19 -1.049 3.943 0.373 156 HG3 GLN 19 1HG GLN 19 -1.346 2.834 1.717 157 HE21 GLN 19 1HE2 GLN 19 -2.951 3.472 -0.571 158 HE22 GLN 19 2HE2 GLN 19 -4.468 4.043 0.034 159 H ILE 20 H ILE 20 0.528 5.492 4.609 160 HA ILE 20 HA ILE 20 1.753 7.975 4.320 161 HB ILE 20 HB ILE 20 1.398 6.276 6.810 162 HG12 ILE 20 2HG1 ILE 20 -0.201 8.627 5.779 163 HG13 ILE 20 1HG1 ILE 20 -0.678 6.939 5.655 164 HG21 ILE 20 1HG2 ILE 20 3.163 7.900 7.211 165 HG22 ILE 20 2HG2 ILE 20 1.707 8.302 8.122 166 HG23 ILE 20 3HG2 ILE 20 2.102 9.199 6.657 167 HD11 ILE 20 3HD1 ILE 20 -0.297 8.490 8.209 168 HD12 ILE 20 1HD1 ILE 20 -0.772 6.795 8.096 169 HD13 ILE 20 2HD1 ILE 20 -1.839 8.052 7.474 170 H ALA 21 H ALA 21 3.143 4.906 5.422 171 HA ALA 21 HA ALA 21 5.701 5.862 6.047 172 HB1 ALA 21 1HB ALA 21 4.879 3.666 6.780 173 HB2 ALA 21 2HB ALA 21 6.422 3.529 5.935 174 HB3 ALA 21 3HB ALA 21 4.923 3.099 5.111 175 H ILE 22 H ILE 22 4.376 4.514 3.085 176 HA ILE 22 HA ILE 22 6.616 4.449 1.433 177 HB ILE 22 HB ILE 22 3.707 4.940 0.832 178 HG12 ILE 22 2HG1 ILE 22 5.452 2.530 0.329 179 HG13 ILE 22 1HG1 ILE 22 4.369 2.723 1.704 180 HG21 ILE 22 1HG2 ILE 22 4.157 4.523 -1.528 181 HG22 ILE 22 2HG2 ILE 22 5.890 4.527 -1.195 182 HG23 ILE 22 3HG2 ILE 22 4.941 5.995 -0.954 183 HD11 ILE 22 3HD1 ILE 22 2.476 2.842 0.169 184 HD12 ILE 22 1HD1 ILE 22 3.366 1.328 0.005 185 HD13 ILE 22 2HD1 ILE 22 3.573 2.607 -1.193 186 H CYS 23 H CYS 23 4.348 7.099 1.955 187 HA CYS 23 HA CYS 23 5.718 8.809 0.136 188 HB2 CYS 23 2HB CYS 23 3.522 9.177 2.098 189 HB3 CYS 23 1HB CYS 23 4.275 10.568 1.329 190 H GLY 24 H GLY 24 5.994 8.138 3.402 191 HA2 GLY 24 2HA GLY 24 7.847 10.335 3.920 192 HA3 GLY 24 1HA GLY 24 7.399 9.079 5.068 193 H MET 25 H MET 25 8.239 7.693 2.115 194 HA MET 25 HA MET 25 10.887 6.934 3.132 195 HB2 MET 25 2HB MET 25 8.898 5.578 1.367 196 HB3 MET 25 1HB MET 25 10.594 5.154 1.231 197 HG2 MET 25 2HG MET 25 8.954 5.010 3.738 198 HG3 MET 25 1HG MET 25 9.351 3.654 2.677 199 HE1 MET 25 3HE MET 25 11.545 3.065 5.893 200 HE2 MET 25 1HE MET 25 10.267 2.417 4.868 201 HE3 MET 25 2HE MET 25 9.960 3.841 5.859 202 H SER 26 H SER 26 10.565 9.419 1.864 203 HA SER 26 HA SER 26 11.411 9.173 -0.869 204 HB2 SER 26 2HB SER 26 9.872 10.989 -0.062 205 HB3 SER 26 1HB SER 26 11.196 11.640 0.895 206 HG SER 26 HG SER 26 12.341 11.850 -1.119 207 H THR 27 H THR 27 13.034 8.272 1.548 208 HA THR 27 HA THR 27 15.469 9.817 1.415 209 HB THR 27 HB THR 27 15.093 7.128 2.716 210 HG1 THR 27 1HG THR 27 14.303 9.705 3.608 211 HG21 THR 27 3HG2 THR 27 16.777 9.536 3.464 212 HG22 THR 27 1HG2 THR 27 17.368 8.067 2.690 213 HG23 THR 27 2HG2 THR 27 16.725 8.000 4.329 214 H TRP 28 H TRP 28 14.061 7.320 -0.087 215 HA TRP 28 HA TRP 28 16.543 6.083 -1.043 216 HB2 TRP 28 2HB TRP 28 13.679 5.167 -1.478 217 HB3 TRP 28 1HB TRP 28 15.128 4.273 -1.928 218 HD1 TRP 28 HD TRP 28 12.934 5.124 1.040 219 HE1 TRP 28 1HE TRP 28 13.672 3.771 3.076 220 HE3 TRP 28 3HE TRP 28 17.206 3.086 -0.884 221 HZ2 TRP 28 2HZ TRP 28 15.793 2.022 3.771 222 HZ3 TRP 28 3HZ TRP 28 18.527 1.572 0.533 223 HH2 TRP 28 HH TRP 28 17.836 1.051 2.811 224 H SER 29 H SER 29 17.349 6.847 -2.875 225 HA SER 29 HA SER 29 15.522 7.565 -5.003 226 HB2 SER 29 2HB SER 29 17.657 9.438 -3.965 227 HB3 SER 29 1HB SER 29 16.618 9.737 -5.361 228 HG SER 29 HG SER 29 15.086 9.080 -3.327 229 HN1 NH2 30 HT1 SER 29 16.441 5.545 -5.704 230 HN2 NH2 30 HT2 SER 29 17.973 5.508 -6.494 231 HA PCA 1 HA PCA 1 -14.309 4.103 -3.855 232 HB2 PCA 1 2HB PCA 1 -14.965 1.958 -5.602 233 HB3 PCA 1 1HB PCA 1 -16.119 2.906 -4.623 234 HG2 PCA 1 2HG PCA 1 -15.706 2.969 -7.503 235 HG3 PCA 1 1HG PCA 1 -16.920 3.875 -6.536 236 H LEU 2 H LEU 2 -12.191 4.813 -5.567 237 HA LEU 2 HA LEU 2 -10.742 2.449 -6.337 238 HB2 LEU 2 2HB LEU 2 -9.690 5.262 -6.110 239 HB3 LEU 2 1HB LEU 2 -8.897 3.918 -6.911 240 HG LEU 2 HG LEU 2 -11.491 5.187 -7.779 241 HD11 LEU 2 1HD1 LEU 2 -9.591 6.634 -8.169 242 HD12 LEU 2 2HD1 LEU 2 -10.199 5.985 -9.693 243 HD13 LEU 2 3HD1 LEU 2 -8.734 5.321 -8.970 244 HD21 LEU 2 3HD2 LEU 2 -11.243 3.786 -9.787 245 HD22 LEU 2 1HD2 LEU 2 -11.446 2.815 -8.328 246 HD23 LEU 2 2HD2 LEU 2 -9.849 2.997 -9.050 247 H TYR 3 H TYR 3 -10.672 4.541 -3.563 248 HA TYR 3 HA TYR 3 -8.360 3.388 -2.349 249 HB2 TYR 3 2HB TYR 3 -10.698 4.885 -1.219 250 HB3 TYR 3 1HB TYR 3 -9.443 4.234 -0.194 251 HD1 TYR 3 2HD TYR 3 -7.015 5.032 -0.738 252 HD2 TYR 3 1HD TYR 3 -10.506 6.996 -2.155 253 HE1 TYR 3 2HE TYR 3 -5.706 7.079 -1.121 254 HE2 TYR 3 1HE TYR 3 -9.208 9.038 -2.541 255 HH TYR 3 HH TYR 3 -7.252 10.058 -1.844 256 H SER 4 H SER 4 -11.787 2.896 -1.961 257 HA SER 4 HA SER 4 -11.855 0.787 -0.211 258 HB2 SER 4 2HB SER 4 -13.651 1.179 -2.591 259 HB3 SER 4 1HB SER 4 -14.058 0.431 -1.041 260 HG SER 4 HG SER 4 -14.787 2.548 -1.184 261 H ALA 5 H ALA 5 -11.473 0.774 -3.746 262 HA ALA 5 HA ALA 5 -11.474 -1.960 -4.205 263 HB1 ALA 5 1HB ALA 5 -10.259 -1.452 -6.270 264 HB2 ALA 5 2HB ALA 5 -9.876 0.155 -5.656 265 HB3 ALA 5 3HB ALA 5 -11.549 -0.278 -6.004 266 H LEU 6 H LEU 6 -8.677 0.181 -3.682 267 HA LEU 6 HA LEU 6 -6.722 -1.828 -3.586 268 HB2 LEU 6 2HB LEU 6 -6.102 0.518 -3.752 269 HB3 LEU 6 1HB LEU 6 -6.804 0.850 -2.181 270 HG LEU 6 HG LEU 6 -5.076 -0.603 -1.141 271 HD11 LEU 6 1HD1 LEU 6 -3.107 -1.230 -2.429 272 HD12 LEU 6 2HD1 LEU 6 -3.901 -0.673 -3.903 273 HD13 LEU 6 3HD1 LEU 6 -4.566 -2.037 -3.003 274 HD21 LEU 6 3HD2 LEU 6 -3.209 0.971 -1.405 275 HD22 LEU 6 1HD2 LEU 6 -4.751 1.806 -1.213 276 HD23 LEU 6 2HD2 LEU 6 -4.013 1.670 -2.807 277 H ALA 7 H ALA 7 -8.673 -0.422 -1.012 278 HA ALA 7 HA ALA 7 -7.555 -1.715 1.168 279 HB1 ALA 7 1HB ALA 7 -10.454 -0.968 0.801 280 HB2 ALA 7 2HB ALA 7 -9.181 0.122 1.345 281 HB3 ALA 7 3HB ALA 7 -9.640 -1.261 2.338 282 H ASN 8 H ASN 8 -10.302 -2.750 -0.805 283 HA ASN 8 HA ASN 8 -10.638 -5.183 0.614 284 HB2 ASN 8 2HB ASN 8 -11.649 -4.355 -2.112 285 HB3 ASN 8 1HB ASN 8 -12.115 -5.846 -1.299 286 HD21 ASN 8 1HD2 ASN 8 -13.792 -3.586 -2.116 287 HD22 ASN 8 2HD2 ASN 8 -14.535 -3.019 -0.685 288 H LYS 9 H LYS 9 -9.073 -4.385 -2.431 289 HA LYS 9 HA LYS 9 -8.412 -7.013 -3.144 290 HB2 LYS 9 2HB LYS 9 -7.253 -4.352 -3.903 291 HB3 LYS 9 1HB LYS 9 -6.616 -5.827 -4.592 292 HG2 LYS 9 2HG LYS 9 -8.786 -6.326 -5.579 293 HG3 LYS 9 1HG LYS 9 -9.495 -4.930 -4.773 294 HD2 LYS 9 2HD LYS 9 -9.044 -4.470 -7.139 295 HD3 LYS 9 1HD LYS 9 -8.072 -3.439 -6.095 296 HE2 LYS 9 2HE LYS 9 -6.134 -4.818 -6.469 297 HE3 LYS 9 1HE LYS 9 -7.085 -5.982 -7.393 298 HZ1 LYS 9 3HZ LYS 9 -7.471 -4.302 -9.049 299 HZ2 LYS 9 1HZ LYS 9 -5.814 -4.466 -8.825 300 HZ3 LYS 9 2HZ LYS 9 -6.643 -3.148 -8.172 301 H CYS 10 H CYS 10 -6.523 -4.671 -1.292 302 HA CYS 10 HA CYS 10 -4.268 -6.464 -1.090 303 HB2 CYS 10 2HB CYS 10 -4.281 -3.887 -0.838 304 HB3 CYS 10 1HB CYS 10 -4.899 -4.197 0.771 305 H CYS 11 H CYS 11 -7.193 -5.932 0.715 306 HA CYS 11 HA CYS 11 -6.243 -7.275 3.028 307 HB2 CYS 11 2HB CYS 11 -8.149 -5.560 2.889 308 HB3 CYS 11 1HB CYS 11 -9.131 -6.887 2.293 309 H HIS 12 H HIS 12 -7.931 -8.217 0.083 310 HA HIS 12 HA HIS 12 -8.348 -10.882 1.141 311 HB2 HIS 12 2HB HIS 12 -9.077 -9.620 -1.490 312 HB3 HIS 12 1HB HIS 12 -9.263 -11.342 -1.197 313 HD1 HIS 12 1HD HIS 12 -11.490 -12.010 -0.234 314 HD2 HIS 12 2HD HIS 12 -10.622 -8.012 0.407 315 HE1 HIS 12 1HE HIS 12 -13.559 -11.012 0.783 316 H VAL 13 H VAL 13 -6.676 -9.573 -1.709 317 HA VAL 13 HA VAL 13 -5.128 -12.047 -1.706 318 HB VAL 13 HB VAL 13 -4.442 -11.436 -4.015 319 HG11 VAL 13 1HG1 VAL 13 -6.247 -13.044 -3.573 320 HG12 VAL 13 2HG1 VAL 13 -6.631 -12.103 -5.017 321 HG13 VAL 13 3HG1 VAL 13 -7.409 -11.722 -3.480 322 HG21 VAL 13 3HG2 VAL 13 -5.849 -9.842 -5.296 323 HG22 VAL 13 1HG2 VAL 13 -4.897 -9.050 -4.038 324 HG23 VAL 13 2HG2 VAL 13 -6.616 -9.347 -3.786 325 H GLY 14 H GLY 14 -4.673 -8.633 -2.102 326 HA2 GLY 14 2HA GLY 14 -2.823 -7.933 -0.425 327 HA3 GLY 14 1HA GLY 14 -1.836 -8.940 -1.446 328 H CYS 15 H CYS 15 -1.024 -6.511 -1.290 329 HA CYS 15 HA CYS 15 -1.798 -5.400 -3.855 330 HB2 CYS 15 2HB CYS 15 -1.728 -3.139 -2.900 331 HB3 CYS 15 1HB CYS 15 -3.074 -4.117 -2.346 332 H THR 16 H THR 16 -0.263 -4.100 -4.800 333 HA THR 16 HA THR 16 2.391 -4.756 -4.025 334 HB THR 16 HB THR 16 2.792 -3.413 -6.225 335 HG1 THR 16 1HG THR 16 0.574 -3.983 -7.399 336 HG21 THR 16 3HG2 THR 16 2.330 -5.419 -7.559 337 HG22 THR 16 1HG2 THR 16 1.319 -6.056 -6.261 338 HG23 THR 16 2HG2 THR 16 3.054 -5.851 -6.014 339 H LYS 17 H LYS 17 3.872 -3.238 -3.574 340 HA LYS 17 HA LYS 17 2.972 -1.109 -1.897 341 HB2 LYS 17 2HB LYS 17 5.123 -2.508 -1.958 342 HB3 LYS 17 1HB LYS 17 5.826 -1.234 -2.924 343 HG2 LYS 17 2HG LYS 17 6.440 -0.844 -0.664 344 HG3 LYS 17 1HG LYS 17 5.166 0.333 -1.013 345 HD2 LYS 17 2HD LYS 17 3.520 -1.037 0.110 346 HD3 LYS 17 1HD LYS 17 4.677 -2.350 0.293 347 HE2 LYS 17 2HE LYS 17 4.874 0.367 1.593 348 HE3 LYS 17 1HE LYS 17 4.323 -1.109 2.383 349 HZ1 LYS 17 3HZ LYS 17 6.556 -2.070 1.840 350 HZ2 LYS 17 1HZ LYS 17 6.594 -0.782 2.940 351 HZ3 LYS 17 2HZ LYS 17 7.032 -0.515 1.352 352 H ARG 18 H ARG 18 4.010 -1.171 -5.231 353 HA ARG 18 HA ARG 18 4.086 1.629 -5.689 354 HB2 ARG 18 2HB ARG 18 3.617 -0.742 -7.476 355 HB3 ARG 18 1HB ARG 18 3.502 0.894 -8.099 356 HG2 ARG 18 2HG ARG 18 5.934 -0.007 -6.627 357 HG3 ARG 18 1HG ARG 18 5.726 -0.386 -8.333 358 HD2 ARG 18 2HD ARG 18 5.580 2.410 -7.185 359 HD3 ARG 18 1HD ARG 18 7.024 1.715 -7.923 360 HE ARG 18 HE ARG 18 5.070 1.379 -9.778 361 HH11 ARG 18 1HH1 ARG 18 6.362 4.226 -8.112 362 HH12 ARG 18 2HH1 ARG 18 6.159 5.267 -9.443 363 HH21 ARG 18 1HH2 ARG 18 4.800 2.826 -11.594 364 HH22 ARG 18 2HH2 ARG 18 5.247 4.462 -11.446 365 H SER 19 H SER 19 1.514 -0.592 -5.267 366 HA SER 19 HA SER 19 -0.491 0.952 -6.578 367 HB2 SER 19 2HB SER 19 -0.638 -1.467 -6.460 368 HB3 SER 19 1HB SER 19 -0.630 -1.439 -4.716 369 HG SER 19 HG SER 19 -2.671 -1.625 -5.245 370 H LEU 20 H LEU 20 0.473 0.321 -3.200 371 HA LEU 20 HA LEU 20 -1.512 2.183 -2.201 372 HB2 LEU 20 2HB LEU 20 0.936 1.656 -0.500 373 HB3 LEU 20 1HB LEU 20 -0.667 2.051 -0.087 374 HG LEU 20 HG LEU 20 -1.394 -0.263 -0.838 375 HD11 LEU 20 1HD1 LEU 20 0.307 -1.978 -0.647 376 HD12 LEU 20 2HD1 LEU 20 1.539 -0.732 -0.476 377 HD13 LEU 20 3HD1 LEU 20 0.652 -0.894 -1.995 378 HD21 LEU 20 3HD2 LEU 20 -1.310 0.515 1.482 379 HD22 LEU 20 1HD2 LEU 20 0.397 0.059 1.529 380 HD23 LEU 20 2HD2 LEU 20 -0.840 -1.185 1.323 381 H ALA 21 H ALA 21 1.653 2.399 -3.298 382 HA ALA 21 HA ALA 21 2.224 5.036 -2.441 383 HB1 ALA 21 1HB ALA 21 3.947 3.496 -3.329 384 HB2 ALA 21 2HB ALA 21 3.955 5.059 -4.144 385 HB3 ALA 21 3HB ALA 21 3.227 3.659 -4.929 386 H ARG 22 H ARG 22 0.614 3.753 -5.260 387 HA ARG 22 HA ARG 22 0.323 6.117 -6.728 388 HB2 ARG 22 2HB ARG 22 -0.014 3.873 -7.650 389 HB3 ARG 22 1HB ARG 22 -1.421 3.654 -6.631 390 HG2 ARG 22 2HG ARG 22 -2.160 4.123 -8.858 391 HG3 ARG 22 1HG ARG 22 -2.510 5.498 -7.807 392 HD2 ARG 22 2HD ARG 22 -0.058 5.377 -9.565 393 HD3 ARG 22 1HD ARG 22 -1.589 6.037 -10.118 394 HE ARG 22 HE ARG 22 -1.373 7.642 -8.212 395 HH11 ARG 22 1HH1 ARG 22 1.572 6.204 -9.567 396 HH12 ARG 22 2HH1 ARG 22 2.523 7.573 -9.284 397 HH21 ARG 22 1HH2 ARG 22 -0.056 9.505 -7.815 398 HH22 ARG 22 2HH2 ARG 22 1.596 9.485 -8.248 399 H PHE 23 H PHE 23 -1.406 4.864 -4.052 400 HA PHE 23 HA PHE 23 -3.431 6.944 -4.333 401 HB2 PHE 23 2HB PHE 23 -3.383 4.518 -2.552 402 HB3 PHE 23 1HB PHE 23 -4.619 5.768 -2.448 403 HD1 PHE 23 2HD PHE 23 -6.169 6.129 -4.293 404 HD2 PHE 23 1HD PHE 23 -3.381 2.929 -4.345 405 HE1 PHE 23 2HE PHE 23 -7.436 5.067 -6.092 406 HE2 PHE 23 1HE PHE 23 -4.646 1.845 -6.152 407 HZ PHE 23 HZ PHE 23 -6.681 2.913 -7.032 408 H CYS 24 H CYS 24 -1.437 5.677 -1.811 409 HA CYS 24 HA CYS 24 -0.700 6.485 0.151 410 HB2 CYS 24 2HB CYS 24 0.885 7.527 -1.433 411 HB3 CYS 24 1HB CYS 24 -0.142 8.947 -1.539 412 HN1 NH2 25 HT1 CYS 24 -1.398 9.834 -0.336 413 HN2 NH2 25 HT2 CYS 24 -2.768 9.926 0.704 Start of MODEL 5 1 H1 ASP 1 1HT ASP 1 11.662 -3.068 1.766 2 H2 ASP 1 2HT ASP 1 12.433 -3.541 0.368 3 H3 ASP 1 3HT ASP 1 10.734 -3.371 0.387 4 HA ASP 1 HA ASP 1 10.997 -0.993 0.846 5 HB2 ASP 1 2HB ASP 1 13.106 0.007 0.331 6 HB3 ASP 1 1HB ASP 1 13.292 -1.032 1.770 7 H SER 2 H SER 2 12.190 -3.255 -1.464 8 HA SER 2 HA SER 2 12.417 -1.814 -3.763 9 HB2 SER 2 2HB SER 2 11.568 -3.990 -4.862 10 HB3 SER 2 1HB SER 2 13.010 -4.067 -3.847 11 HG SER 2 HG SER 2 10.382 -4.919 -3.351 12 H TRP 3 H TRP 3 11.143 -0.560 -4.799 13 HA TRP 3 HA TRP 3 8.424 -0.299 -3.905 14 HB2 TRP 3 2HB TRP 3 10.004 1.372 -5.853 15 HB3 TRP 3 1HB TRP 3 8.365 1.737 -5.320 16 HD1 TRP 3 HD TRP 3 11.831 2.575 -4.484 17 HE1 TRP 3 1HE TRP 3 11.994 3.567 -2.105 18 HE3 TRP 3 3HE TRP 3 7.235 1.269 -2.741 19 HZ2 TRP 3 2HZ TRP 3 10.384 3.776 0.187 20 HZ3 TRP 3 3HZ TRP 3 6.628 1.867 -0.481 21 HH2 TRP 3 HH TRP 3 8.160 3.102 0.976 22 H MET 4 H MET 4 10.016 -1.231 -6.866 23 HA MET 4 HA MET 4 7.583 -1.093 -8.378 24 HB2 MET 4 2HB MET 4 10.185 -2.406 -9.191 25 HB3 MET 4 1HB MET 4 8.871 -1.917 -10.249 26 HG2 MET 4 2HG MET 4 10.661 -0.103 -8.653 27 HG3 MET 4 1HG MET 4 10.649 -0.312 -10.403 28 HE1 MET 4 3HE MET 4 9.284 3.348 -9.743 29 HE2 MET 4 1HE MET 4 10.585 2.394 -10.457 30 HE3 MET 4 2HE MET 4 10.419 2.490 -8.704 31 H GLU 5 H GLU 5 9.375 -3.518 -6.693 32 HA GLU 5 HA GLU 5 7.070 -5.216 -7.086 33 HB2 GLU 5 2HB GLU 5 8.801 -6.020 -8.632 34 HB3 GLU 5 1HB GLU 5 9.895 -6.237 -7.269 35 HG2 GLU 5 2HG GLU 5 8.438 -7.894 -6.311 36 HG3 GLU 5 1HG GLU 5 7.262 -7.645 -7.601 37 H GLU 6 H GLU 6 6.268 -4.912 -5.138 38 HA GLU 6 HA GLU 6 7.352 -6.600 -3.126 39 HB2 GLU 6 2HB GLU 6 8.155 -4.039 -2.668 40 HB3 GLU 6 1HB GLU 6 6.465 -3.936 -2.200 41 HG2 GLU 6 2HG GLU 6 6.682 -5.649 -0.562 42 HG3 GLU 6 1HG GLU 6 8.367 -5.896 -0.998 43 H VAL 7 H VAL 7 5.682 -7.143 -1.747 44 HA VAL 7 HA VAL 7 3.036 -6.180 -2.334 45 HB VAL 7 HB VAL 7 3.324 -7.852 -4.108 46 HG11 VAL 7 1HG1 VAL 7 5.026 -9.255 -3.155 47 HG12 VAL 7 2HG1 VAL 7 3.639 -10.236 -3.629 48 HG13 VAL 7 3HG1 VAL 7 3.904 -9.841 -1.931 49 HG21 VAL 7 3HG2 VAL 7 1.468 -8.840 -1.940 50 HG22 VAL 7 1HG2 VAL 7 1.401 -9.318 -3.636 51 HG23 VAL 7 2HG2 VAL 7 1.089 -7.643 -3.176 52 H ILE 8 H ILE 8 1.721 -6.368 -0.643 53 HA ILE 8 HA ILE 8 2.488 -8.097 1.565 54 HB ILE 8 HB ILE 8 1.985 -6.380 3.237 55 HG12 ILE 8 2HG1 ILE 8 0.565 -4.856 1.819 56 HG13 ILE 8 1HG1 ILE 8 1.756 -4.014 2.791 57 HG21 ILE 8 1HG2 ILE 8 4.265 -6.766 2.791 58 HG22 ILE 8 2HG2 ILE 8 4.029 -5.042 3.083 59 HG23 ILE 8 3HG2 ILE 8 4.248 -5.636 1.438 60 HD11 ILE 8 3HD1 ILE 8 1.576 -3.017 0.601 61 HD12 ILE 8 1HD1 ILE 8 1.922 -4.568 -0.170 62 HD13 ILE 8 2HD1 ILE 8 3.164 -3.762 0.787 63 H LYS 9 H LYS 9 0.686 -8.209 3.181 64 HA LYS 9 HA LYS 9 -1.890 -7.827 1.851 65 HB2 LYS 9 2HB LYS 9 -1.114 -10.175 3.598 66 HB3 LYS 9 1HB LYS 9 -2.727 -9.856 2.981 67 HG2 LYS 9 2HG LYS 9 -1.885 -10.105 0.690 68 HG3 LYS 9 1HG LYS 9 -0.282 -10.453 1.335 69 HD2 LYS 9 2HD LYS 9 -1.414 -12.530 0.750 70 HD3 LYS 9 1HD LYS 9 -1.220 -12.431 2.500 71 HE2 LYS 9 2HE LYS 9 -3.543 -11.696 2.724 72 HE3 LYS 9 1HE LYS 9 -3.736 -11.744 0.971 73 HZ1 LYS 9 3HZ LYS 9 -3.401 -14.107 1.021 74 HZ2 LYS 9 1HZ LYS 9 -4.634 -13.703 2.090 75 HZ3 LYS 9 2HZ LYS 9 -3.098 -14.089 2.674 76 H LEU 10 H LEU 10 -2.113 -5.931 2.899 77 HA LEU 10 HA LEU 10 -2.571 -6.090 5.796 78 HB2 LEU 10 2HB LEU 10 -1.322 -3.907 4.180 79 HB3 LEU 10 1HB LEU 10 -2.248 -3.492 5.592 80 HG LEU 10 HG LEU 10 -0.783 -4.767 7.008 81 HD11 LEU 10 1HD1 LEU 10 -0.035 -6.496 5.441 82 HD12 LEU 10 2HD1 LEU 10 1.358 -5.676 6.156 83 HD13 LEU 10 3HD1 LEU 10 0.842 -5.278 4.516 84 HD21 LEU 10 3HD2 LEU 10 -0.265 -2.439 6.620 85 HD22 LEU 10 1HD2 LEU 10 0.722 -2.870 5.228 86 HD23 LEU 10 2HD2 LEU 10 1.217 -3.366 6.847 87 H CYS 11 H CYS 11 -3.963 -4.175 6.419 88 HA CYS 11 HA CYS 11 -6.060 -3.595 4.519 89 HB2 CYS 11 2HB CYS 11 -6.565 -5.838 5.157 90 HB3 CYS 11 1HB CYS 11 -6.637 -5.404 6.875 91 H GLY 12 H GLY 12 -7.726 -2.419 5.557 92 HA2 GLY 12 2HA GLY 12 -8.382 -0.428 6.639 93 HA3 GLY 12 1HA GLY 12 -7.936 -1.356 8.046 94 H ARG 13 H ARG 13 -6.894 -0.213 9.320 95 HA ARG 13 HA ARG 13 -5.551 2.206 8.729 96 HB2 ARG 13 2HB ARG 13 -4.886 2.301 11.038 97 HB3 ARG 13 1HB ARG 13 -6.532 1.696 10.960 98 HG2 ARG 13 2HG ARG 13 -5.789 -0.540 11.406 99 HG3 ARG 13 1HG ARG 13 -4.102 -0.046 11.280 100 HD2 ARG 13 2HD ARG 13 -4.482 1.497 13.199 101 HD3 ARG 13 1HD ARG 13 -6.094 0.815 13.359 102 HE ARG 13 HE ARG 13 -5.059 -1.319 13.811 103 HH11 ARG 13 1HH1 ARG 13 -2.964 1.531 14.125 104 HH12 ARG 13 2HH1 ARG 13 -1.940 0.825 15.286 105 HH21 ARG 13 1HH2 ARG 13 -3.649 -2.291 15.394 106 HH22 ARG 13 2HH2 ARG 13 -2.326 -1.412 16.003 107 H GLU 14 H GLU 14 -4.489 -1.070 8.695 108 HA GLU 14 HA GLU 14 -1.717 -0.565 9.129 109 HB2 GLU 14 2HB GLU 14 -3.172 -2.882 7.881 110 HB3 GLU 14 1HB GLU 14 -1.481 -2.884 8.348 111 HG2 GLU 14 2HG GLU 14 -2.114 -2.591 10.683 112 HG3 GLU 14 1HG GLU 14 -3.809 -2.477 10.224 113 H LEU 15 H LEU 15 -3.858 -0.826 6.413 114 HA LEU 15 HA LEU 15 -1.935 -0.647 4.318 115 HB2 LEU 15 2HB LEU 15 -4.720 0.506 4.402 116 HB3 LEU 15 1HB LEU 15 -3.727 0.405 2.969 117 HG LEU 15 HG LEU 15 -4.775 -1.934 4.531 118 HD11 LEU 15 1HD1 LEU 15 -6.534 -0.694 3.380 119 HD12 LEU 15 2HD1 LEU 15 -6.230 -2.242 2.587 120 HD13 LEU 15 3HD1 LEU 15 -5.596 -0.751 1.888 121 HD21 LEU 15 3HD2 LEU 15 -3.360 -1.819 1.876 122 HD22 LEU 15 1HD2 LEU 15 -4.005 -3.242 2.700 123 HD23 LEU 15 2HD2 LEU 15 -2.658 -2.367 3.412 124 H VAL 16 H VAL 16 -3.689 1.720 6.192 125 HA VAL 16 HA VAL 16 -2.623 4.024 4.920 126 HB VAL 16 HB VAL 16 -3.557 3.836 7.799 127 HG11 VAL 16 1HG1 VAL 16 -2.467 5.937 7.265 128 HG12 VAL 16 2HG1 VAL 16 -4.196 6.185 7.513 129 HG13 VAL 16 3HG1 VAL 16 -3.534 6.158 5.879 130 HG21 VAL 16 3HG2 VAL 16 -5.203 4.244 5.310 131 HG22 VAL 16 1HG2 VAL 16 -5.797 4.444 6.959 132 HG23 VAL 16 2HG2 VAL 16 -5.260 2.862 6.401 133 H ARG 17 H ARG 17 -1.596 2.179 7.721 134 HA ARG 17 HA ARG 17 0.614 3.616 8.582 135 HB2 ARG 17 2HB ARG 17 0.147 0.646 8.447 136 HB3 ARG 17 1HB ARG 17 1.588 1.301 9.175 137 HG2 ARG 17 2HG ARG 17 -1.216 1.914 10.101 138 HG3 ARG 17 1HG ARG 17 -0.201 0.640 10.775 139 HD2 ARG 17 2HD ARG 17 -0.029 2.534 12.208 140 HD3 ARG 17 1HD ARG 17 1.491 2.395 11.338 141 HE ARG 17 HE ARG 17 -0.644 4.294 10.667 142 HH11 ARG 17 1HH1 ARG 17 2.819 3.498 10.806 143 HH12 ARG 17 2HH1 ARG 17 3.362 5.060 10.497 144 HH21 ARG 17 1HH2 ARG 17 0.099 6.483 10.226 145 HH22 ARG 17 2HH2 ARG 17 1.761 6.825 10.176 146 H ALA 18 H ALA 18 0.466 1.141 6.150 147 HA ALA 18 HA ALA 18 3.175 1.276 5.374 148 HB1 ALA 18 1HB ALA 18 1.783 -0.688 4.918 149 HB2 ALA 18 2HB ALA 18 2.514 -0.066 3.436 150 HB3 ALA 18 3HB ALA 18 0.817 0.260 3.787 151 H GLN 19 H GLN 19 0.246 2.611 3.927 152 HA GLN 19 HA GLN 19 1.190 3.828 1.680 153 HB2 GLN 19 2HB GLN 19 -0.936 4.499 3.623 154 HB3 GLN 19 1HB GLN 19 -0.739 5.530 2.239 155 HG2 GLN 19 2HG GLN 19 -1.097 3.606 0.786 156 HG3 GLN 19 1HG GLN 19 -1.213 2.545 2.196 157 HE21 GLN 19 1HE2 GLN 19 -3.132 2.877 0.145 158 HE22 GLN 19 2HE2 GLN 19 -4.558 3.518 0.914 159 H ILE 20 H ILE 20 0.711 5.353 4.839 160 HA ILE 20 HA ILE 20 1.874 7.841 4.289 161 HB ILE 20 HB ILE 20 1.577 6.436 6.958 162 HG12 ILE 20 2HG1 ILE 20 -0.077 8.591 5.631 163 HG13 ILE 20 1HG1 ILE 20 -0.510 6.890 5.737 164 HG21 ILE 20 1HG2 ILE 20 1.852 8.645 8.013 165 HG22 ILE 20 2HG2 ILE 20 2.231 9.349 6.442 166 HG23 ILE 20 3HG2 ILE 20 3.313 8.154 7.156 167 HD11 ILE 20 3HD1 ILE 20 -0.601 7.073 8.162 168 HD12 ILE 20 1HD1 ILE 20 -1.692 8.220 7.380 169 HD13 ILE 20 2HD1 ILE 20 -0.151 8.773 8.040 170 H ALA 21 H ALA 21 3.366 4.882 5.494 171 HA ALA 21 HA ALA 21 5.912 5.968 6.023 172 HB1 ALA 21 1HB ALA 21 5.211 3.773 6.854 173 HB2 ALA 21 2HB ALA 21 6.709 3.654 5.927 174 HB3 ALA 21 3HB ALA 21 5.181 3.158 5.202 175 H ILE 22 H ILE 22 4.403 4.705 3.155 176 HA ILE 22 HA ILE 22 6.682 4.791 1.450 177 HB ILE 22 HB ILE 22 3.760 5.030 0.698 178 HG12 ILE 22 2HG1 ILE 22 5.504 2.556 0.871 179 HG13 ILE 22 1HG1 ILE 22 4.205 2.982 1.959 180 HG21 ILE 22 1HG2 ILE 22 5.234 5.767 -1.079 181 HG22 ILE 22 2HG2 ILE 22 4.473 4.233 -1.502 182 HG23 ILE 22 3HG2 ILE 22 6.153 4.263 -0.968 183 HD11 ILE 22 3HD1 ILE 22 3.472 1.299 0.374 184 HD12 ILE 22 1HD1 ILE 22 3.871 2.374 -0.967 185 HD13 ILE 22 2HD1 ILE 22 2.584 2.807 0.156 186 H CYS 23 H CYS 23 3.988 6.984 2.069 187 HA CYS 23 HA CYS 23 4.798 8.853 0.089 188 HB2 CYS 23 2HB CYS 23 2.749 8.824 2.220 189 HB3 CYS 23 1HB CYS 23 3.041 10.259 1.242 190 H GLY 24 H GLY 24 5.408 8.583 3.408 191 HA2 GLY 24 2HA GLY 24 6.563 11.239 3.585 192 HA3 GLY 24 1HA GLY 24 6.629 10.024 4.852 193 H MET 25 H MET 25 7.570 8.420 2.224 194 HA MET 25 HA MET 25 10.379 9.242 2.333 195 HB2 MET 25 2HB MET 25 9.303 6.422 2.625 196 HB3 MET 25 1HB MET 25 10.991 6.790 2.307 197 HG2 MET 25 2HG MET 25 11.165 7.953 4.420 198 HG3 MET 25 1HG MET 25 9.449 7.687 4.729 199 HE1 MET 25 3HE MET 25 10.107 6.695 7.133 200 HE2 MET 25 1HE MET 25 11.811 6.971 6.765 201 HE3 MET 25 2HE MET 25 11.279 5.396 7.354 202 H SER 26 H SER 26 8.391 9.841 0.428 203 HA SER 26 HA SER 26 8.650 7.968 -1.708 204 HB2 SER 26 2HB SER 26 7.171 10.589 -1.534 205 HB3 SER 26 1HB SER 26 7.246 9.613 -2.998 206 HG SER 26 HG SER 26 6.555 8.217 -0.723 207 H THR 27 H THR 27 10.853 8.141 -1.662 208 HA THR 27 HA THR 27 12.141 10.346 -2.996 209 HB THR 27 HB THR 27 13.185 7.520 -2.722 210 HG1 THR 27 1HG THR 27 12.534 9.255 -0.796 211 HG21 THR 27 3HG2 THR 27 14.498 9.000 -4.204 212 HG22 THR 27 1HG2 THR 27 15.395 8.611 -2.735 213 HG23 THR 27 2HG2 THR 27 14.620 10.185 -2.902 214 H TRP 28 H TRP 28 10.695 7.509 -3.747 215 HA TRP 28 HA TRP 28 11.190 7.805 -6.635 216 HB2 TRP 28 2HB TRP 28 10.501 5.239 -5.178 217 HB3 TRP 28 1HB TRP 28 10.819 5.395 -6.900 218 HD1 TRP 28 HD TRP 28 12.512 4.738 -3.656 219 HE1 TRP 28 1HE TRP 28 15.045 4.562 -3.974 220 HE3 TRP 28 3HE TRP 28 12.837 6.590 -8.411 221 HZ2 TRP 28 2HZ TRP 28 16.953 5.161 -5.980 222 HZ3 TRP 28 3HZ TRP 28 15.060 6.761 -9.453 223 HH2 TRP 28 HH TRP 28 17.071 6.063 -8.263 224 H SER 29 H SER 29 9.484 8.973 -7.253 225 HA SER 29 HA SER 29 6.824 7.898 -6.668 226 HB2 SER 29 2HB SER 29 7.626 10.799 -7.013 227 HB3 SER 29 1HB SER 29 5.974 10.220 -6.789 228 HG SER 29 HG SER 29 6.846 9.212 -4.837 229 HN1 NH2 30 HT1 SER 29 6.814 6.687 -8.530 230 HN2 NH2 30 HT2 SER 29 6.785 7.362 -10.119 231 HA PCA 1 HA PCA 1 -14.132 4.329 -5.327 232 HB2 PCA 1 2HB PCA 1 -15.096 1.718 -5.967 233 HB3 PCA 1 1HB PCA 1 -16.077 3.100 -5.400 234 HG2 PCA 1 2HG PCA 1 -16.057 1.921 -8.019 235 HG3 PCA 1 1HG PCA 1 -16.933 3.404 -7.505 236 H LEU 2 H LEU 2 -12.017 4.121 -7.136 237 HA LEU 2 HA LEU 2 -10.758 1.474 -6.912 238 HB2 LEU 2 2HB LEU 2 -10.490 3.004 -8.929 239 HB3 LEU 2 1HB LEU 2 -9.523 4.028 -7.904 240 HG LEU 2 HG LEU 2 -7.813 2.316 -7.709 241 HD11 LEU 2 1HD1 LEU 2 -9.660 0.618 -9.395 242 HD12 LEU 2 2HD1 LEU 2 -9.201 0.313 -7.715 243 HD13 LEU 2 3HD1 LEU 2 -7.992 0.223 -8.991 244 HD21 LEU 2 3HD2 LEU 2 -7.751 3.815 -9.637 245 HD22 LEU 2 1HD2 LEU 2 -8.729 2.673 -10.558 246 HD23 LEU 2 2HD2 LEU 2 -7.104 2.222 -10.039 247 H TYR 3 H TYR 3 -10.736 4.245 -5.020 248 HA TYR 3 HA TYR 3 -8.369 3.332 -3.758 249 HB2 TYR 3 2HB TYR 3 -9.043 5.710 -3.656 250 HB3 TYR 3 1HB TYR 3 -10.399 5.249 -2.608 251 HD1 TYR 3 2HD TYR 3 -6.831 4.628 -2.979 252 HD2 TYR 3 1HD TYR 3 -10.042 5.353 -0.337 253 HE1 TYR 3 2HE TYR 3 -5.314 4.477 -1.205 254 HE2 TYR 3 1HE TYR 3 -8.528 5.207 1.560 255 HH TYR 3 HH TYR 3 -5.196 5.385 1.220 256 H SER 4 H SER 4 -11.801 3.126 -3.099 257 HA SER 4 HA SER 4 -11.625 1.627 -0.725 258 HB2 SER 4 2HB SER 4 -13.691 2.810 -1.695 259 HB3 SER 4 1HB SER 4 -13.849 1.432 -2.776 260 HG SER 4 HG SER 4 -14.625 0.294 -1.230 261 H ALA 5 H ALA 5 -11.509 0.815 -4.114 262 HA ALA 5 HA ALA 5 -11.685 -1.972 -3.927 263 HB1 ALA 5 1HB ALA 5 -11.946 -0.739 -6.043 264 HB2 ALA 5 2HB ALA 5 -10.739 -2.022 -6.164 265 HB3 ALA 5 3HB ALA 5 -10.227 -0.344 -5.996 266 H LEU 6 H LEU 6 -8.790 0.161 -4.078 267 HA LEU 6 HA LEU 6 -6.809 -1.792 -3.896 268 HB2 LEU 6 2HB LEU 6 -6.234 0.559 -4.239 269 HB3 LEU 6 1HB LEU 6 -6.832 0.968 -2.642 270 HG LEU 6 HG LEU 6 -5.035 -0.509 -1.684 271 HD11 LEU 6 1HD1 LEU 6 -3.103 -1.040 -3.070 272 HD12 LEU 6 2HD1 LEU 6 -3.989 -0.496 -4.495 273 HD13 LEU 6 3HD1 LEU 6 -4.561 -1.889 -3.578 274 HD21 LEU 6 3HD2 LEU 6 -4.055 1.832 -3.322 275 HD22 LEU 6 1HD2 LEU 6 -3.244 1.122 -1.929 276 HD23 LEU 6 2HD2 LEU 6 -4.793 1.935 -1.723 277 H ALA 7 H ALA 7 -8.573 -0.196 -1.345 278 HA ALA 7 HA ALA 7 -7.375 -1.329 0.888 279 HB1 ALA 7 1HB ALA 7 -8.911 0.560 0.988 280 HB2 ALA 7 2HB ALA 7 -9.475 -0.740 2.040 281 HB3 ALA 7 3HB ALA 7 -10.238 -0.479 0.476 282 H ASN 8 H ASN 8 -10.223 -2.357 -0.897 283 HA ASN 8 HA ASN 8 -10.845 -4.691 0.536 284 HB2 ASN 8 2HB ASN 8 -12.414 -3.599 -1.008 285 HB3 ASN 8 1HB ASN 8 -11.364 -3.987 -2.360 286 HD21 ASN 8 1HD2 ASN 8 -12.931 -5.105 -3.410 287 HD22 ASN 8 2HD2 ASN 8 -13.531 -6.634 -2.901 288 H LYS 9 H LYS 9 -8.993 -4.211 -2.398 289 HA LYS 9 HA LYS 9 -8.392 -6.878 -3.019 290 HB2 LYS 9 2HB LYS 9 -6.956 -4.311 -3.641 291 HB3 LYS 9 1HB LYS 9 -6.507 -5.851 -4.344 292 HG2 LYS 9 2HG LYS 9 -8.580 -6.009 -5.507 293 HG3 LYS 9 1HG LYS 9 -9.247 -4.648 -4.610 294 HD2 LYS 9 2HD LYS 9 -8.582 -4.013 -6.907 295 HD3 LYS 9 1HD LYS 9 -7.694 -3.124 -5.680 296 HE2 LYS 9 2HE LYS 9 -6.267 -3.859 -7.543 297 HE3 LYS 9 1HE LYS 9 -5.757 -4.540 -6.001 298 HZ1 LYS 9 3HZ LYS 9 -5.709 -6.143 -7.788 299 HZ2 LYS 9 1HZ LYS 9 -7.357 -5.962 -8.069 300 HZ3 LYS 9 2HZ LYS 9 -6.802 -6.618 -6.620 301 H CYS 10 H CYS 10 -6.433 -4.560 -1.195 302 HA CYS 10 HA CYS 10 -4.305 -6.455 -0.861 303 HB2 CYS 10 2HB CYS 10 -4.239 -3.862 -0.738 304 HB3 CYS 10 1HB CYS 10 -4.804 -4.086 0.906 305 H CYS 11 H CYS 11 -7.219 -5.732 0.816 306 HA CYS 11 HA CYS 11 -6.529 -6.945 3.295 307 HB2 CYS 11 2HB CYS 11 -8.258 -5.142 2.811 308 HB3 CYS 11 1HB CYS 11 -9.281 -6.406 2.172 309 H HIS 12 H HIS 12 -7.776 -8.028 0.222 310 HA HIS 12 HA HIS 12 -8.419 -10.632 1.391 311 HB2 HIS 12 2HB HIS 12 -9.213 -9.383 -1.210 312 HB3 HIS 12 1HB HIS 12 -9.432 -11.101 -0.916 313 HD1 HIS 12 1HD HIS 12 -11.737 -11.621 0.019 314 HD2 HIS 12 2HD HIS 12 -10.433 -7.818 0.955 315 HE1 HIS 12 1HE HIS 12 -13.616 -10.559 1.310 316 H VAL 13 H VAL 13 -6.757 -9.438 -1.490 317 HA VAL 13 HA VAL 13 -5.300 -11.973 -1.490 318 HB VAL 13 HB VAL 13 -4.666 -11.417 -3.821 319 HG11 VAL 13 1HG1 VAL 13 -7.627 -11.635 -3.189 320 HG12 VAL 13 2HG1 VAL 13 -6.506 -12.992 -3.324 321 HG13 VAL 13 3HG1 VAL 13 -6.929 -12.044 -4.756 322 HG21 VAL 13 3HG2 VAL 13 -5.054 -9.038 -3.857 323 HG22 VAL 13 1HG2 VAL 13 -6.773 -9.276 -3.548 324 HG23 VAL 13 2HG2 VAL 13 -6.073 -9.805 -5.078 325 H GLY 14 H GLY 14 -4.787 -8.574 -1.914 326 HA2 GLY 14 2HA GLY 14 -2.866 -7.886 -0.314 327 HA3 GLY 14 1HA GLY 14 -1.914 -8.919 -1.347 328 H CYS 15 H CYS 15 -0.988 -6.515 -1.299 329 HA CYS 15 HA CYS 15 -1.831 -5.384 -3.847 330 HB2 CYS 15 2HB CYS 15 -1.704 -3.119 -2.888 331 HB3 CYS 15 1HB CYS 15 -3.058 -4.073 -2.317 332 H THR 16 H THR 16 -0.267 -4.030 -4.833 333 HA THR 16 HA THR 16 2.400 -4.704 -4.056 334 HB THR 16 HB THR 16 2.897 -3.495 -6.284 335 HG1 THR 16 1HG THR 16 0.800 -3.784 -7.610 336 HG21 THR 16 3HG2 THR 16 2.968 -5.934 -6.047 337 HG22 THR 16 1HG2 THR 16 2.277 -5.473 -7.602 338 HG23 THR 16 2HG2 THR 16 1.222 -6.012 -6.295 339 H LYS 17 H LYS 17 3.891 -3.192 -3.708 340 HA LYS 17 HA LYS 17 3.113 -1.079 -1.932 341 HB2 LYS 17 2HB LYS 17 5.238 -2.539 -2.187 342 HB3 LYS 17 1HB LYS 17 5.865 -1.246 -3.176 343 HG2 LYS 17 2HG LYS 17 6.656 -1.030 -0.973 344 HG3 LYS 17 1HG LYS 17 5.476 0.280 -1.223 345 HD2 LYS 17 2HD LYS 17 3.795 -0.990 -0.005 346 HD3 LYS 17 1HD LYS 17 4.884 -2.372 0.106 347 HE2 LYS 17 2HE LYS 17 5.310 0.328 1.377 348 HE3 LYS 17 1HE LYS 17 4.765 -1.128 2.205 349 HZ1 LYS 17 3HZ LYS 17 6.891 -2.180 1.487 350 HZ2 LYS 17 1HZ LYS 17 7.076 -0.899 2.580 351 HZ3 LYS 17 2HZ LYS 17 7.411 -0.667 0.948 352 H ARG 18 H ARG 18 4.230 -0.789 -5.304 353 HA ARG 18 HA ARG 18 3.965 2.038 -5.208 354 HB2 ARG 18 2HB ARG 18 4.129 0.129 -7.514 355 HB3 ARG 18 1HB ARG 18 3.785 1.826 -7.772 356 HG2 ARG 18 2HG ARG 18 6.219 0.812 -6.333 357 HG3 ARG 18 1HG ARG 18 6.183 1.218 -8.050 358 HD2 ARG 18 2HD ARG 18 5.654 3.102 -5.738 359 HD3 ARG 18 1HD ARG 18 7.067 3.091 -6.791 360 HE ARG 18 HE ARG 18 5.085 3.354 -8.541 361 HH11 ARG 18 1HH1 ARG 18 5.970 5.265 -5.666 362 HH12 ARG 18 2HH1 ARG 18 5.108 6.637 -6.139 363 HH21 ARG 18 1HH2 ARG 18 3.940 5.290 -9.225 364 HH22 ARG 18 2HH2 ARG 18 3.955 6.664 -8.209 365 H SER 19 H SER 19 1.674 -0.428 -5.424 366 HA SER 19 HA SER 19 -0.342 1.068 -6.762 367 HB2 SER 19 2HB SER 19 -0.257 -1.419 -6.755 368 HB3 SER 19 1HB SER 19 -0.585 -1.439 -5.040 369 HG SER 19 HG SER 19 -2.277 -0.415 -7.086 370 H LEU 20 H LEU 20 0.558 0.385 -3.395 371 HA LEU 20 HA LEU 20 -1.594 2.029 -2.407 372 HB2 LEU 20 2HB LEU 20 0.864 1.717 -0.626 373 HB3 LEU 20 1HB LEU 20 -0.741 2.005 -0.250 374 HG LEU 20 HG LEU 20 -1.365 -0.338 -0.923 375 HD11 LEU 20 1HD1 LEU 20 0.388 -1.970 -0.809 376 HD12 LEU 20 2HD1 LEU 20 1.589 -0.694 -0.627 377 HD13 LEU 20 3HD1 LEU 20 0.691 -0.855 -2.141 378 HD21 LEU 20 3HD2 LEU 20 0.477 0.118 1.401 379 HD22 LEU 20 1HD2 LEU 20 -0.674 -1.205 1.240 380 HD23 LEU 20 2HD2 LEU 20 -1.260 0.456 1.380 381 H ALA 21 H ALA 21 1.629 2.466 -3.267 382 HA ALA 21 HA ALA 21 2.110 5.066 -2.306 383 HB1 ALA 21 1HB ALA 21 3.225 3.968 -4.864 384 HB2 ALA 21 2HB ALA 21 3.815 3.522 -3.273 385 HB3 ALA 21 3HB ALA 21 3.947 5.197 -3.826 386 H ARG 22 H ARG 22 0.485 4.062 -5.251 387 HA ARG 22 HA ARG 22 0.482 6.745 -6.310 388 HB2 ARG 22 2HB ARG 22 -0.752 5.855 -8.215 389 HB3 ARG 22 1HB ARG 22 0.658 4.873 -7.859 390 HG2 ARG 22 2HG ARG 22 -0.732 3.198 -6.824 391 HG3 ARG 22 1HG ARG 22 -2.159 4.210 -7.049 392 HD2 ARG 22 2HD ARG 22 -0.435 3.089 -9.249 393 HD3 ARG 22 1HD ARG 22 -2.014 2.468 -8.757 394 HE ARG 22 HE ARG 22 -2.315 5.159 -9.347 395 HH11 ARG 22 1HH1 ARG 22 -1.556 2.173 -11.053 396 HH12 ARG 22 2HH1 ARG 22 -2.125 2.703 -12.567 397 HH21 ARG 22 1HH2 ARG 22 -3.119 5.927 -11.403 398 HH22 ARG 22 2HH2 ARG 22 -3.061 4.923 -12.772 399 H PHE 23 H PHE 23 -1.365 5.285 -4.029 400 HA PHE 23 HA PHE 23 -3.546 7.182 -4.557 401 HB2 PHE 23 2HB PHE 23 -3.744 4.488 -3.200 402 HB3 PHE 23 1HB PHE 23 -5.029 5.691 -3.201 403 HD1 PHE 23 2HD PHE 23 -5.956 6.438 -5.439 404 HD2 PHE 23 1HD PHE 23 -3.525 2.985 -4.963 405 HE1 PHE 23 2HE PHE 23 -6.761 5.576 -7.594 406 HE2 PHE 23 1HE PHE 23 -4.323 2.118 -7.112 407 HZ PHE 23 HZ PHE 23 -5.939 3.412 -8.430 408 H CYS 24 H CYS 24 -2.309 5.322 -1.934 409 HA CYS 24 HA CYS 24 -1.655 5.793 0.174 410 HB2 CYS 24 2HB CYS 24 -0.035 7.047 -1.268 411 HB3 CYS 24 1HB CYS 24 -0.999 8.483 -1.040 412 HN1 NH2 25 HT1 CYS 24 -2.180 9.165 0.268 413 HN2 NH2 25 HT2 CYS 24 -3.739 9.155 1.013 Start of MODEL 6 1 H1 ASP 1 1HT ASP 1 11.097 -5.186 2.502 2 H2 ASP 1 2HT ASP 1 11.797 -5.313 0.970 3 H3 ASP 1 3HT ASP 1 10.451 -4.347 1.211 4 HA ASP 1 HA ASP 1 11.595 -2.799 2.563 5 HB2 ASP 1 2HB ASP 1 13.167 -4.574 3.517 6 HB3 ASP 1 1HB ASP 1 14.085 -4.427 2.032 7 H SER 2 H SER 2 12.978 -4.468 -0.206 8 HA SER 2 HA SER 2 14.050 -2.153 -1.404 9 HB2 SER 2 2HB SER 2 13.131 -4.623 -2.787 10 HB3 SER 2 1HB SER 2 14.464 -3.576 -3.251 11 HG SER 2 HG SER 2 15.347 -4.162 -1.083 12 H TRP 3 H TRP 3 13.149 -0.842 -2.807 13 HA TRP 3 HA TRP 3 10.277 -0.602 -2.515 14 HB2 TRP 3 2HB TRP 3 12.254 1.445 -3.498 15 HB3 TRP 3 1HB TRP 3 10.534 1.731 -3.234 16 HD1 TRP 3 HD TRP 3 13.753 1.964 -1.521 17 HE1 TRP 3 1HE TRP 3 13.447 2.298 1.004 18 HE3 TRP 3 3HE TRP 3 8.788 0.773 -1.158 19 HZ2 TRP 3 2HZ TRP 3 11.352 2.061 2.911 20 HZ3 TRP 3 3HZ TRP 3 7.745 0.790 1.018 21 HH2 TRP 3 HH TRP 3 8.984 1.445 3.032 22 H MET 4 H MET 4 12.226 -1.791 -4.833 23 HA MET 4 HA MET 4 10.988 -0.778 -7.152 24 HB2 MET 4 2HB MET 4 13.169 -1.916 -7.223 25 HB3 MET 4 1HB MET 4 12.385 -3.428 -6.796 26 HG2 MET 4 2HG MET 4 12.843 -3.339 -9.172 27 HG3 MET 4 1HG MET 4 11.108 -3.372 -8.858 28 HE1 MET 4 3HE MET 4 13.436 0.410 -10.160 29 HE2 MET 4 1HE MET 4 14.167 -1.186 -9.994 30 HE3 MET 4 2HE MET 4 13.619 -0.314 -8.562 31 H GLU 5 H GLU 5 10.261 -3.569 -5.136 32 HA GLU 5 HA GLU 5 7.829 -3.908 -6.769 33 HB2 GLU 5 2HB GLU 5 9.376 -6.056 -5.314 34 HB3 GLU 5 1HB GLU 5 7.804 -6.298 -6.050 35 HG2 GLU 5 2HG GLU 5 10.240 -5.405 -7.561 36 HG3 GLU 5 1HG GLU 5 9.751 -7.089 -7.389 37 H GLU 6 H GLU 6 8.492 -5.524 -3.745 38 HA GLU 6 HA GLU 6 7.478 -5.658 -1.762 39 HB2 GLU 6 2HB GLU 6 6.675 -2.834 -2.345 40 HB3 GLU 6 1HB GLU 6 6.371 -3.628 -0.809 41 HG2 GLU 6 2HG GLU 6 9.051 -3.111 -2.048 42 HG3 GLU 6 1HG GLU 6 8.312 -2.171 -0.752 43 H VAL 7 H VAL 7 5.805 -6.824 -1.326 44 HA VAL 7 HA VAL 7 3.217 -6.009 -2.357 45 HB VAL 7 HB VAL 7 3.881 -7.813 -3.884 46 HG11 VAL 7 1HG1 VAL 7 4.290 -10.100 -3.125 47 HG12 VAL 7 2HG1 VAL 7 4.237 -9.546 -1.450 48 HG13 VAL 7 3HG1 VAL 7 5.509 -8.973 -2.529 49 HG21 VAL 7 3HG2 VAL 7 1.510 -7.705 -3.314 50 HG22 VAL 7 1HG2 VAL 7 1.769 -8.751 -1.925 51 HG23 VAL 7 2HG2 VAL 7 1.990 -9.382 -3.553 52 H ILE 8 H ILE 8 1.737 -5.897 -0.880 53 HA ILE 8 HA ILE 8 2.355 -7.221 1.657 54 HB ILE 8 HB ILE 8 1.429 -5.369 2.900 55 HG12 ILE 8 2HG1 ILE 8 1.026 -4.071 0.215 56 HG13 ILE 8 1HG1 ILE 8 -0.238 -4.637 1.277 57 HG21 ILE 8 1HG2 ILE 8 3.505 -4.437 0.923 58 HG22 ILE 8 2HG2 ILE 8 3.804 -5.276 2.445 59 HG23 ILE 8 3HG2 ILE 8 3.127 -3.647 2.454 60 HD11 ILE 8 3HD1 ILE 8 1.649 -2.374 1.903 61 HD12 ILE 8 1HD1 ILE 8 0.367 -2.972 2.955 62 HD13 ILE 8 2HD1 ILE 8 -0.038 -2.214 1.415 63 H LYS 9 H LYS 9 0.536 -7.464 3.000 64 HA LYS 9 HA LYS 9 -2.042 -7.727 1.666 65 HB2 LYS 9 2HB LYS 9 -0.690 -9.997 3.157 66 HB3 LYS 9 1HB LYS 9 -2.370 -10.001 2.639 67 HG2 LYS 9 2HG LYS 9 -1.671 -9.882 0.314 68 HG3 LYS 9 1HG LYS 9 0.020 -9.826 0.808 69 HD2 LYS 9 2HD LYS 9 -0.571 -12.050 0.090 70 HD3 LYS 9 1HD LYS 9 -0.243 -12.060 1.824 71 HE2 LYS 9 2HE LYS 9 -2.665 -11.991 2.256 72 HE3 LYS 9 1HE LYS 9 -2.966 -11.992 0.519 73 HZ1 LYS 9 3HZ LYS 9 -1.951 -14.174 0.385 74 HZ2 LYS 9 1HZ LYS 9 -3.218 -14.154 1.485 75 HZ3 LYS 9 2HZ LYS 9 -1.629 -14.154 2.049 76 H LEU 10 H LEU 10 -1.973 -5.796 3.112 77 HA LEU 10 HA LEU 10 -2.449 -6.383 5.964 78 HB2 LEU 10 2HB LEU 10 -1.515 -3.961 4.491 79 HB3 LEU 10 1HB LEU 10 -2.372 -3.770 5.987 80 HG LEU 10 HG LEU 10 -0.707 -4.849 7.245 81 HD11 LEU 10 1HD1 LEU 10 0.698 -5.488 4.650 82 HD12 LEU 10 2HD1 LEU 10 -0.087 -6.658 5.708 83 HD13 LEU 10 3HD1 LEU 10 1.353 -5.797 6.257 84 HD21 LEU 10 3HD2 LEU 10 1.241 -3.447 6.856 85 HD22 LEU 10 1HD2 LEU 10 -0.247 -2.524 6.658 86 HD23 LEU 10 2HD2 LEU 10 0.652 -3.064 5.243 87 H CYS 11 H CYS 11 -3.956 -4.687 6.880 88 HA CYS 11 HA CYS 11 -6.251 -4.191 5.158 89 HB2 CYS 11 2HB CYS 11 -6.546 -5.889 7.634 90 HB3 CYS 11 1HB CYS 11 -7.830 -5.314 6.580 91 H GLY 12 H GLY 12 -7.935 -2.960 6.323 92 HA2 GLY 12 2HA GLY 12 -8.627 -1.178 7.600 93 HA3 GLY 12 1HA GLY 12 -7.872 -2.045 8.905 94 H ARG 13 H ARG 13 -6.804 -0.702 10.027 95 HA ARG 13 HA ARG 13 -5.692 1.672 8.916 96 HB2 ARG 13 2HB ARG 13 -4.966 2.287 11.158 97 HB3 ARG 13 1HB ARG 13 -6.632 1.750 11.177 98 HG2 ARG 13 2HG ARG 13 -5.997 -0.351 12.140 99 HG3 ARG 13 1HG ARG 13 -4.283 0.056 11.993 100 HD2 ARG 13 2HD ARG 13 -5.002 0.407 14.265 101 HD3 ARG 13 1HD ARG 13 -4.665 1.963 13.516 102 HE ARG 13 HE ARG 13 -7.403 1.347 13.241 103 HH11 ARG 13 1HH1 ARG 13 -5.069 2.478 15.616 104 HH12 ARG 13 2HH1 ARG 13 -6.240 3.109 16.676 105 HH21 ARG 13 1HH2 ARG 13 -8.997 2.263 14.640 106 HH22 ARG 13 2HH2 ARG 13 -8.532 3.005 16.104 107 H GLU 14 H GLU 14 -4.495 -1.501 9.120 108 HA GLU 14 HA GLU 14 -1.758 -0.745 9.273 109 HB2 GLU 14 2HB GLU 14 -3.096 -3.275 8.282 110 HB3 GLU 14 1HB GLU 14 -1.363 -3.044 8.242 111 HG2 GLU 14 2HG GLU 14 -1.770 -4.344 10.138 112 HG3 GLU 14 1HG GLU 14 -1.505 -2.723 10.757 113 H LEU 15 H LEU 15 -4.159 -1.191 6.825 114 HA LEU 15 HA LEU 15 -2.505 -0.854 4.535 115 HB2 LEU 15 2HB LEU 15 -5.385 -0.095 4.977 116 HB3 LEU 15 1HB LEU 15 -4.579 -0.010 3.426 117 HG LEU 15 HG LEU 15 -4.893 -2.553 4.989 118 HD11 LEU 15 1HD1 LEU 15 -6.577 -1.408 2.771 119 HD12 LEU 15 2HD1 LEU 15 -7.082 -1.686 4.444 120 HD13 LEU 15 3HD1 LEU 15 -6.699 -3.050 3.400 121 HD21 LEU 15 3HD2 LEU 15 -3.092 -2.552 3.363 122 HD22 LEU 15 1HD2 LEU 15 -4.217 -2.006 2.104 123 HD23 LEU 15 2HD2 LEU 15 -4.434 -3.585 2.882 124 H VAL 16 H VAL 16 -4.262 1.377 6.584 125 HA VAL 16 HA VAL 16 -3.503 3.755 5.196 126 HB VAL 16 HB VAL 16 -4.183 3.492 8.148 127 HG11 VAL 16 1HG1 VAL 16 -4.380 5.865 6.295 128 HG12 VAL 16 2HG1 VAL 16 -3.201 5.647 7.587 129 HG13 VAL 16 3HG1 VAL 16 -4.911 5.828 7.977 130 HG21 VAL 16 3HG2 VAL 16 -6.034 3.968 5.816 131 HG22 VAL 16 1HG2 VAL 16 -6.491 4.004 7.517 132 HG23 VAL 16 2HG2 VAL 16 -5.941 2.496 6.782 133 H ARG 17 H ARG 17 -2.071 2.026 7.915 134 HA ARG 17 HA ARG 17 0.059 3.667 8.626 135 HB2 ARG 17 2HB ARG 17 -0.673 1.394 9.587 136 HB3 ARG 17 1HB ARG 17 0.187 0.690 8.279 137 HG2 ARG 17 2HG ARG 17 1.601 0.610 10.228 138 HG3 ARG 17 1HG ARG 17 2.301 1.664 9.002 139 HD2 ARG 17 2HD ARG 17 1.416 3.617 10.217 140 HD3 ARG 17 1HD ARG 17 0.773 2.536 11.449 141 HE ARG 17 HE ARG 17 3.403 1.893 11.312 142 HH11 ARG 17 1HH1 ARG 17 1.658 4.902 11.951 143 HH12 ARG 17 2HH1 ARG 17 2.891 5.583 12.900 144 HH21 ARG 17 1HH2 ARG 17 5.064 2.791 12.582 145 HH22 ARG 17 2HH2 ARG 17 4.903 4.334 13.298 146 H ALA 18 H ALA 18 0.023 0.995 6.485 147 HA ALA 18 HA ALA 18 2.522 1.186 5.246 148 HB1 ALA 18 1HB ALA 18 1.145 -0.793 5.073 149 HB2 ALA 18 2HB ALA 18 1.522 -0.216 3.442 150 HB3 ALA 18 3HB ALA 18 -0.054 0.094 4.147 151 H GLN 19 H GLN 19 -0.575 2.518 4.188 152 HA GLN 19 HA GLN 19 0.297 3.611 1.781 153 HB2 GLN 19 2HB GLN 19 -1.976 4.046 3.584 154 HB3 GLN 19 1HB GLN 19 -1.806 5.225 2.331 155 HG2 GLN 19 2HG GLN 19 -1.708 3.143 0.785 156 HG3 GLN 19 1HG GLN 19 -2.329 2.283 2.196 157 HE21 GLN 19 1HE2 GLN 19 -2.952 4.605 -0.227 158 HE22 GLN 19 2HE2 GLN 19 -4.665 4.696 -0.002 159 H ILE 20 H ILE 20 -0.298 5.241 4.899 160 HA ILE 20 HA ILE 20 0.581 7.787 4.119 161 HB ILE 20 HB ILE 20 0.742 6.539 6.882 162 HG12 ILE 20 2HG1 ILE 20 -1.550 6.637 6.040 163 HG13 ILE 20 1HG1 ILE 20 -1.332 7.783 7.354 164 HG21 ILE 20 1HG2 ILE 20 0.967 9.441 6.104 165 HG22 ILE 20 2HG2 ILE 20 2.249 8.428 6.772 166 HG23 ILE 20 3HG2 ILE 20 0.846 8.841 7.758 167 HD11 ILE 20 3HD1 ILE 20 -1.155 9.600 5.706 168 HD12 ILE 20 1HD1 ILE 20 -2.688 8.736 5.593 169 HD13 ILE 20 2HD1 ILE 20 -1.419 8.431 4.411 170 H ALA 21 H ALA 21 2.372 5.045 5.316 171 HA ALA 21 HA ALA 21 4.872 6.301 5.529 172 HB1 ALA 21 1HB ALA 21 4.329 4.150 6.561 173 HB2 ALA 21 2HB ALA 21 5.779 4.060 5.561 174 HB3 ALA 21 3HB ALA 21 4.249 3.417 4.961 175 H ILE 22 H ILE 22 3.397 4.405 2.903 176 HA ILE 22 HA ILE 22 5.622 4.698 1.177 177 HB ILE 22 HB ILE 22 3.716 2.849 1.001 178 HG12 ILE 22 2HG1 ILE 22 3.990 2.617 -1.391 179 HG13 ILE 22 1HG1 ILE 22 4.464 4.302 -1.536 180 HG21 ILE 22 1HG2 ILE 22 2.356 4.961 -0.554 181 HG22 ILE 22 2HG2 ILE 22 1.896 4.393 1.038 182 HG23 ILE 22 3HG2 ILE 22 1.864 3.277 -0.339 183 HD11 ILE 22 3HD1 ILE 22 6.043 2.175 -0.112 184 HD12 ILE 22 1HD1 ILE 22 6.530 3.848 -0.382 185 HD13 ILE 22 2HD1 ILE 22 6.329 2.762 -1.754 186 H CYS 23 H CYS 23 2.806 6.632 1.818 187 HA CYS 23 HA CYS 23 2.884 8.170 -0.588 188 HB2 CYS 23 2HB CYS 23 0.912 7.744 1.074 189 HB3 CYS 23 1HB CYS 23 1.589 9.097 1.966 190 H GLY 24 H GLY 24 4.464 8.300 2.466 191 HA2 GLY 24 2HA GLY 24 5.387 11.014 1.957 192 HA3 GLY 24 1HA GLY 24 5.637 10.092 3.434 193 H MET 25 H MET 25 6.321 7.899 1.137 194 HA MET 25 HA MET 25 8.856 8.693 0.263 195 HB2 MET 25 2HB MET 25 9.432 8.415 2.649 196 HB3 MET 25 1HB MET 25 8.804 6.777 2.603 197 HG2 MET 25 2HG MET 25 11.250 6.837 2.495 198 HG3 MET 25 1HG MET 25 10.536 6.106 1.059 199 HE1 MET 25 3HE MET 25 12.277 10.397 1.157 200 HE2 MET 25 1HE MET 25 12.247 9.327 2.558 201 HE3 MET 25 2HE MET 25 10.740 9.985 1.913 202 H SER 26 H SER 26 8.000 7.950 -1.581 203 HA SER 26 HA SER 26 7.436 5.092 -1.868 204 HB2 SER 26 2HB SER 26 7.312 7.245 -3.997 205 HB3 SER 26 1HB SER 26 6.603 5.635 -4.081 206 HG SER 26 HG SER 26 5.609 6.725 -1.926 207 H THR 27 H THR 27 10.055 6.880 -1.777 208 HA THR 27 HA THR 27 11.342 5.638 -4.020 209 HB THR 27 HB THR 27 12.964 7.629 -3.688 210 HG1 THR 27 1HG THR 27 12.362 8.710 -1.948 211 HG21 THR 27 3HG2 THR 27 10.151 8.075 -4.696 212 HG22 THR 27 1HG2 THR 27 11.482 7.381 -5.622 213 HG23 THR 27 2HG2 THR 27 11.551 9.067 -5.101 214 H TRP 28 H TRP 28 13.838 6.109 -3.327 215 HA TRP 28 HA TRP 28 14.135 3.869 -1.549 216 HB2 TRP 28 2HB TRP 28 16.106 5.094 -3.456 217 HB3 TRP 28 1HB TRP 28 16.482 3.730 -2.402 218 HD1 TRP 28 HD TRP 28 15.518 1.378 -3.050 219 HE1 TRP 28 1HE TRP 28 14.318 0.465 -5.123 220 HE3 TRP 28 3HE TRP 28 14.411 5.803 -5.372 221 HZ2 TRP 28 2HZ TRP 28 13.062 1.471 -7.439 222 HZ3 TRP 28 3HZ TRP 28 13.204 5.733 -7.515 223 HH2 TRP 28 HH TRP 28 12.545 3.612 -8.526 224 H SER 29 H SER 29 13.755 4.774 0.353 225 HA SER 29 HA SER 29 16.184 5.601 1.667 226 HB2 SER 29 2HB SER 29 13.599 7.164 1.937 227 HB3 SER 29 1HB SER 29 15.046 7.410 2.919 228 HG SER 29 HG SER 29 15.710 7.392 0.360 229 HN1 NH2 30 HT1 SER 29 16.298 3.753 2.769 230 HN2 NH2 30 HT2 SER 29 15.059 3.112 3.783 231 HA PCA 1 HA PCA 1 -13.581 6.162 -4.039 232 HB2 PCA 1 2HB PCA 1 -12.116 5.538 -1.634 233 HB3 PCA 1 1HB PCA 1 -13.070 7.005 -1.992 234 HG2 PCA 1 2HG PCA 1 -13.730 4.931 -0.162 235 HG3 PCA 1 1HG PCA 1 -14.818 6.251 -0.714 236 H LEU 2 H LEU 2 -11.423 6.065 -4.748 237 HA LEU 2 HA LEU 2 -10.688 3.506 -5.654 238 HB2 LEU 2 2HB LEU 2 -8.625 4.616 -6.579 239 HB3 LEU 2 1HB LEU 2 -10.158 5.250 -7.112 240 HG LEU 2 HG LEU 2 -9.818 7.164 -5.483 241 HD11 LEU 2 1HD1 LEU 2 -7.541 7.662 -4.769 242 HD12 LEU 2 2HD1 LEU 2 -7.021 6.073 -5.340 243 HD13 LEU 2 3HD1 LEU 2 -8.169 6.199 -4.012 244 HD21 LEU 2 3HD2 LEU 2 -8.240 8.327 -6.946 245 HD22 LEU 2 1HD2 LEU 2 -9.479 7.445 -7.841 246 HD23 LEU 2 2HD2 LEU 2 -7.846 6.789 -7.714 247 H TYR 3 H TYR 3 -9.669 5.300 -2.904 248 HA TYR 3 HA TYR 3 -7.414 3.678 -2.313 249 HB2 TYR 3 2HB TYR 3 -9.124 5.441 -0.586 250 HB3 TYR 3 1HB TYR 3 -7.757 4.522 0.023 251 HD1 TYR 3 2HD TYR 3 -5.608 4.902 -1.736 252 HD2 TYR 3 1HD TYR 3 -8.680 7.691 -0.826 253 HE1 TYR 3 2HE TYR 3 -4.124 6.744 -2.381 254 HE2 TYR 3 1HE TYR 3 -7.201 9.538 -1.477 255 HH TYR 3 HH TYR 3 -4.281 9.064 -3.160 256 H SER 4 H SER 4 -10.684 3.748 -1.081 257 HA SER 4 HA SER 4 -10.568 1.494 0.532 258 HB2 SER 4 2HB SER 4 -12.966 2.567 -0.952 259 HB3 SER 4 1HB SER 4 -12.990 1.568 0.506 260 HG SER 4 HG SER 4 -12.995 3.410 1.463 261 H ALA 5 H ALA 5 -11.249 1.743 -2.942 262 HA ALA 5 HA ALA 5 -12.027 -0.899 -3.429 263 HB1 ALA 5 1HB ALA 5 -10.420 0.930 -5.219 264 HB2 ALA 5 2HB ALA 5 -12.176 0.919 -5.091 265 HB3 ALA 5 3HB ALA 5 -11.330 -0.490 -5.738 266 H LEU 6 H LEU 6 -8.821 0.601 -3.613 267 HA LEU 6 HA LEU 6 -7.332 -1.727 -4.119 268 HB2 LEU 6 2HB LEU 6 -6.504 0.586 -4.420 269 HB3 LEU 6 1HB LEU 6 -6.515 0.804 -2.684 270 HG LEU 6 HG LEU 6 -4.816 -1.019 -2.513 271 HD11 LEU 6 1HD1 LEU 6 -3.568 -1.633 -4.519 272 HD12 LEU 6 2HD1 LEU 6 -4.725 -0.744 -5.508 273 HD13 LEU 6 3HD1 LEU 6 -5.247 -2.163 -4.598 274 HD21 LEU 6 3HD2 LEU 6 -4.143 1.306 -2.398 275 HD22 LEU 6 1HD2 LEU 6 -4.101 1.398 -4.159 276 HD23 LEU 6 2HD2 LEU 6 -2.944 0.383 -3.303 277 H ALA 7 H ALA 7 -8.365 -0.164 -1.162 278 HA ALA 7 HA ALA 7 -6.944 -1.579 0.725 279 HB1 ALA 7 1HB ALA 7 -9.777 -0.584 0.987 280 HB2 ALA 7 2HB ALA 7 -8.322 0.376 1.258 281 HB3 ALA 7 3HB ALA 7 -8.697 -0.982 2.322 282 H ASN 8 H ASN 8 -10.060 -2.478 -0.757 283 HA ASN 8 HA ASN 8 -10.396 -4.887 0.721 284 HB2 ASN 8 2HB ASN 8 -11.380 -4.256 -2.083 285 HB3 ASN 8 1HB ASN 8 -11.818 -5.706 -1.199 286 HD21 ASN 8 1HD2 ASN 8 -12.397 -2.382 -1.686 287 HD22 ASN 8 2HD2 ASN 8 -13.721 -2.232 -0.594 288 H LYS 9 H LYS 9 -8.948 -4.178 -2.364 289 HA LYS 9 HA LYS 9 -8.304 -6.801 -3.085 290 HB2 LYS 9 2HB LYS 9 -6.970 -4.218 -3.899 291 HB3 LYS 9 1HB LYS 9 -6.755 -5.747 -4.731 292 HG2 LYS 9 2HG LYS 9 -9.124 -5.781 -5.315 293 HG3 LYS 9 1HG LYS 9 -9.372 -4.286 -4.417 294 HD2 LYS 9 2HD LYS 9 -9.242 -3.773 -6.767 295 HD3 LYS 9 1HD LYS 9 -7.804 -3.149 -5.970 296 HE2 LYS 9 2HE LYS 9 -6.508 -5.038 -6.763 297 HE3 LYS 9 1HE LYS 9 -7.946 -5.758 -7.483 298 HZ1 LYS 9 3HZ LYS 9 -6.636 -4.637 -9.138 299 HZ2 LYS 9 1HZ LYS 9 -6.688 -3.188 -8.287 300 HZ3 LYS 9 2HZ LYS 9 -8.093 -3.821 -8.959 301 H CYS 10 H CYS 10 -6.257 -4.415 -1.432 302 HA CYS 10 HA CYS 10 -4.004 -6.182 -1.243 303 HB2 CYS 10 2HB CYS 10 -4.690 -3.848 0.550 304 HB3 CYS 10 1HB CYS 10 -3.098 -4.547 0.279 305 H CYS 11 H CYS 11 -6.863 -5.742 0.674 306 HA CYS 11 HA CYS 11 -5.809 -7.099 2.961 307 HB2 CYS 11 2HB CYS 11 -7.581 -5.367 3.100 308 HB3 CYS 11 1HB CYS 11 -8.656 -6.439 2.232 309 H HIS 12 H HIS 12 -7.770 -7.918 0.167 310 HA HIS 12 HA HIS 12 -8.293 -10.546 1.227 311 HB2 HIS 12 2HB HIS 12 -9.122 -9.106 -1.233 312 HB3 HIS 12 1HB HIS 12 -9.388 -10.833 -1.070 313 HD1 HIS 12 1HD HIS 12 -11.479 -11.495 0.304 314 HD2 HIS 12 2HD HIS 12 -10.432 -7.502 0.737 315 HE1 HIS 12 1HE HIS 12 -13.352 -10.422 1.610 316 H VAL 13 H VAL 13 -6.589 -9.242 -1.545 317 HA VAL 13 HA VAL 13 -5.282 -11.854 -1.729 318 HB VAL 13 HB VAL 13 -4.786 -11.338 -4.089 319 HG11 VAL 13 1HG1 VAL 13 -7.700 -11.444 -3.276 320 HG12 VAL 13 2HG1 VAL 13 -6.636 -12.832 -3.520 321 HG13 VAL 13 3HG1 VAL 13 -7.124 -11.833 -4.893 322 HG21 VAL 13 3HG2 VAL 13 -6.747 -9.077 -3.715 323 HG22 VAL 13 1HG2 VAL 13 -6.204 -9.674 -5.287 324 HG23 VAL 13 2HG2 VAL 13 -5.050 -8.949 -4.170 325 H GLY 14 H GLY 14 -4.707 -8.487 -2.183 326 HA2 GLY 14 2HA GLY 14 -2.747 -7.623 -0.833 327 HA3 GLY 14 1HA GLY 14 -1.841 -8.906 -1.529 328 H CYS 15 H CYS 15 -0.972 -6.398 -1.825 329 HA CYS 15 HA CYS 15 -1.196 -5.971 -4.686 330 HB2 CYS 15 2HB CYS 15 -1.621 -3.586 -4.393 331 HB3 CYS 15 1HB CYS 15 -2.965 -4.558 -3.816 332 H THR 16 H THR 16 0.442 -4.351 -5.358 333 HA THR 16 HA THR 16 2.786 -4.746 -3.837 334 HB THR 16 HB THR 16 3.855 -3.328 -5.610 335 HG1 THR 16 1HG THR 16 2.119 -3.397 -7.508 336 HG21 THR 16 3HG2 THR 16 2.255 -5.683 -6.596 337 HG22 THR 16 1HG2 THR 16 3.825 -5.767 -5.801 338 HG23 THR 16 2HG2 THR 16 3.679 -5.007 -7.385 339 H LYS 17 H LYS 17 3.990 -3.161 -3.026 340 HA LYS 17 HA LYS 17 2.622 -1.044 -1.610 341 HB2 LYS 17 2HB LYS 17 4.841 -2.332 -1.080 342 HB3 LYS 17 1HB LYS 17 5.604 -1.123 -2.088 343 HG2 LYS 17 2HG LYS 17 5.870 -0.624 0.151 344 HG3 LYS 17 1HG LYS 17 4.799 0.611 -0.558 345 HD2 LYS 17 2HD LYS 17 2.872 -0.507 0.449 346 HD3 LYS 17 1HD LYS 17 3.913 -1.797 1.056 347 HE2 LYS 17 2HE LYS 17 4.058 1.112 1.861 348 HE3 LYS 17 1HE LYS 17 3.335 -0.185 2.806 349 HZ1 LYS 17 3HZ LYS 17 6.189 -0.050 2.022 350 HZ2 LYS 17 1HZ LYS 17 5.496 -1.238 2.962 351 HZ3 LYS 17 2HZ LYS 17 5.601 0.335 3.529 352 H ARG 18 H ARG 18 4.266 -1.383 -4.609 353 HA ARG 18 HA ARG 18 4.518 1.318 -5.413 354 HB2 ARG 18 2HB ARG 18 3.976 -1.115 -7.124 355 HB3 ARG 18 1HB ARG 18 4.608 0.419 -7.686 356 HG2 ARG 18 2HG ARG 18 5.993 -1.477 -5.809 357 HG3 ARG 18 1HG ARG 18 6.335 -1.275 -7.523 358 HD2 ARG 18 2HD ARG 18 6.643 0.832 -5.393 359 HD3 ARG 18 1HD ARG 18 7.947 -0.083 -6.139 360 HE ARG 18 HE ARG 18 6.379 2.053 -7.323 361 HH11 ARG 18 1HH1 ARG 18 8.839 -0.455 -7.859 362 HH12 ARG 18 2HH1 ARG 18 9.573 0.364 -9.157 363 HH21 ARG 18 1HH2 ARG 18 7.421 3.140 -9.112 364 HH22 ARG 18 2HH2 ARG 18 8.761 2.398 -9.873 365 H SER 19 H SER 19 1.898 -0.950 -5.304 366 HA SER 19 HA SER 19 0.183 0.451 -7.056 367 HB2 SER 19 2HB SER 19 0.049 -1.968 -6.720 368 HB3 SER 19 1HB SER 19 -0.433 -1.759 -5.058 369 HG SER 19 HG SER 19 -2.321 -1.968 -6.111 370 H LEU 20 H LEU 20 0.600 0.275 -3.562 371 HA LEU 20 HA LEU 20 -1.475 2.341 -3.230 372 HB2 LEU 20 2HB LEU 20 0.473 1.973 -0.894 373 HB3 LEU 20 1HB LEU 20 -1.179 2.376 -0.974 374 HG LEU 20 HG LEU 20 -1.723 -0.013 -1.600 375 HD11 LEU 20 1HD1 LEU 20 1.034 -0.428 -0.543 376 HD12 LEU 20 2HD1 LEU 20 0.491 -0.754 -2.195 377 HD13 LEU 20 3HD1 LEU 20 -0.153 -1.690 -0.849 378 HD21 LEU 20 3HD2 LEU 20 -2.211 0.910 0.585 379 HD22 LEU 20 1HD2 LEU 20 -0.553 0.573 1.096 380 HD23 LEU 20 2HD2 LEU 20 -1.643 -0.759 0.712 381 H ALA 21 H ALA 21 1.847 2.281 -3.707 382 HA ALA 21 HA ALA 21 2.448 4.956 -3.085 383 HB1 ALA 21 1HB ALA 21 3.756 3.328 -5.250 384 HB2 ALA 21 2HB ALA 21 4.173 3.259 -3.539 385 HB3 ALA 21 3HB ALA 21 4.434 4.747 -4.452 386 H ARG 22 H ARG 22 1.104 3.618 -6.035 387 HA ARG 22 HA ARG 22 1.325 6.070 -7.506 388 HB2 ARG 22 2HB ARG 22 -0.150 4.981 -9.188 389 HB3 ARG 22 1HB ARG 22 1.252 4.010 -8.760 390 HG2 ARG 22 2HG ARG 22 -0.131 2.673 -7.273 391 HG3 ARG 22 1HG ARG 22 -1.530 3.648 -7.699 392 HD2 ARG 22 2HD ARG 22 -1.463 2.876 -9.947 393 HD3 ARG 22 1HD ARG 22 0.081 2.063 -9.682 394 HE ARG 22 HE ARG 22 -1.508 0.947 -7.836 395 HH11 ARG 22 1HH1 ARG 22 -2.059 1.439 -11.279 396 HH12 ARG 22 2HH1 ARG 22 -2.823 -0.053 -11.535 397 HH21 ARG 22 1HH2 ARG 22 -2.523 -1.099 -8.145 398 HH22 ARG 22 2HH2 ARG 22 -3.111 -1.553 -9.694 399 H PHE 23 H PHE 23 -0.914 4.920 -5.220 400 HA PHE 23 HA PHE 23 -2.888 6.907 -6.079 401 HB2 PHE 23 2HB PHE 23 -3.119 4.678 -4.055 402 HB3 PHE 23 1HB PHE 23 -4.354 5.907 -4.279 403 HD1 PHE 23 1HD PHE 23 -5.391 6.111 -6.609 404 HD2 PHE 23 2HD PHE 23 -3.125 2.757 -5.347 405 HE1 PHE 23 1HE PHE 23 -6.454 4.748 -8.352 406 HE2 PHE 23 2HE PHE 23 -4.171 1.381 -7.090 407 HZ PHE 23 HZ PHE 23 -5.842 2.375 -8.604 408 H CYS 24 H CYS 24 -1.126 5.910 -3.300 409 HA CYS 24 HA CYS 24 -0.331 8.548 -2.602 410 HB2 CYS 24 2HB CYS 24 -2.693 8.569 -1.692 411 HB3 CYS 24 1HB CYS 24 -2.271 7.203 -0.683 412 HN1 NH2 25 HT1 CYS 24 1.609 7.545 -2.733 413 HN2 NH2 25 HT2 CYS 24 2.161 6.342 -1.625 Start of MODEL 7 1 H1 ASP 1 1HT ASP 1 13.302 3.293 -3.473 2 H2 ASP 1 2HT ASP 1 13.137 4.495 -4.639 3 H3 ASP 1 3HT ASP 1 14.259 3.263 -4.878 4 HA ASP 1 HA ASP 1 11.305 3.015 -4.867 5 HB2 ASP 1 2HB ASP 1 13.381 2.853 -7.030 6 HB3 ASP 1 1HB ASP 1 11.734 2.269 -7.215 7 H SER 2 H SER 2 14.193 1.367 -4.041 8 HA SER 2 HA SER 2 13.813 -1.131 -5.175 9 HB2 SER 2 2HB SER 2 14.979 -0.629 -2.456 10 HB3 SER 2 1HB SER 2 15.452 -1.862 -3.629 11 HG SER 2 HG SER 2 16.085 -0.064 -5.020 12 H TRP 3 H TRP 3 12.322 0.318 -2.704 13 HA TRP 3 HA TRP 3 11.201 -2.044 -1.437 14 HB2 TRP 3 2HB TRP 3 9.916 -0.381 -0.015 15 HB3 TRP 3 1HB TRP 3 11.664 -0.306 0.116 16 HD1 TRP 3 HD TRP 3 12.782 1.978 -0.400 17 HE1 TRP 3 1HE TRP 3 11.957 4.280 -1.144 18 HE3 TRP 3 3HE TRP 3 7.988 0.752 -1.539 19 HZ2 TRP 3 2HZ TRP 3 9.539 5.437 -2.101 20 HZ3 TRP 3 3HZ TRP 3 6.490 2.433 -2.376 21 HH2 TRP 3 HH TRP 3 7.228 4.785 -2.652 22 H MET 4 H MET 4 10.267 -0.055 -4.082 23 HA MET 4 HA MET 4 7.461 -0.255 -3.478 24 HB2 MET 4 2HB MET 4 6.958 1.031 -5.419 25 HB3 MET 4 1HB MET 4 8.353 1.754 -4.655 26 HG2 MET 4 2HG MET 4 9.816 0.843 -6.326 27 HG3 MET 4 1HG MET 4 8.487 -0.063 -7.050 28 HE1 MET 4 3HE MET 4 10.373 1.789 -8.773 29 HE2 MET 4 1HE MET 4 9.198 2.644 -9.772 30 HE3 MET 4 2HE MET 4 8.992 0.925 -9.445 31 H GLU 5 H GLU 5 9.706 -2.080 -5.246 32 HA GLU 5 HA GLU 5 7.603 -3.499 -6.620 33 HB2 GLU 5 2HB GLU 5 10.563 -4.087 -6.447 34 HB3 GLU 5 1HB GLU 5 9.417 -4.923 -7.487 35 HG2 GLU 5 2HG GLU 5 8.963 -2.778 -8.632 36 HG3 GLU 5 1HG GLU 5 10.219 -2.030 -7.647 37 H GLU 6 H GLU 6 6.413 -4.134 -4.890 38 HA GLU 6 HA GLU 6 7.310 -6.480 -3.483 39 HB2 GLU 6 2HB GLU 6 8.088 -4.367 -2.149 40 HB3 GLU 6 1HB GLU 6 6.386 -4.067 -2.033 41 HG2 GLU 6 2HG GLU 6 7.275 -5.095 0.003 42 HG3 GLU 6 1HG GLU 6 5.928 -5.955 -0.739 43 H VAL 7 H VAL 7 5.551 -7.277 -2.276 44 HA VAL 7 HA VAL 7 2.912 -6.231 -2.808 45 HB VAL 7 HB VAL 7 3.158 -7.922 -4.583 46 HG11 VAL 7 1HG1 VAL 7 3.805 -9.899 -2.408 47 HG12 VAL 7 2HG1 VAL 7 4.912 -9.289 -3.637 48 HG13 VAL 7 3HG1 VAL 7 3.537 -10.289 -4.109 49 HG21 VAL 7 3HG2 VAL 7 0.942 -7.732 -3.582 50 HG22 VAL 7 1HG2 VAL 7 1.369 -8.919 -2.354 51 HG23 VAL 7 2HG2 VAL 7 1.250 -9.405 -4.042 52 H ILE 8 H ILE 8 1.786 -6.182 -1.035 53 HA ILE 8 HA ILE 8 2.615 -7.871 1.215 54 HB ILE 8 HB ILE 8 2.140 -6.001 2.762 55 HG12 ILE 8 2HG1 ILE 8 1.801 -4.393 0.228 56 HG13 ILE 8 1HG1 ILE 8 0.560 -4.748 1.406 57 HG21 ILE 8 1HG2 ILE 8 4.230 -5.316 0.700 58 HG22 ILE 8 2HG2 ILE 8 4.447 -6.363 2.100 59 HG23 ILE 8 3HG2 ILE 8 4.142 -4.641 2.326 60 HD11 ILE 8 3HD1 ILE 8 1.726 -3.375 3.077 61 HD12 ILE 8 1HD1 ILE 8 1.327 -2.447 1.630 62 HD13 ILE 8 2HD1 ILE 8 2.977 -3.009 1.891 63 H LYS 9 H LYS 9 0.815 -7.731 2.894 64 HA LYS 9 HA LYS 9 -1.782 -7.531 1.599 65 HB2 LYS 9 2HB LYS 9 -1.040 -9.913 1.477 66 HB3 LYS 9 1HB LYS 9 -0.934 -9.933 3.230 67 HG2 LYS 9 2HG LYS 9 -3.348 -9.440 3.341 68 HG3 LYS 9 1HG LYS 9 -3.419 -9.549 1.585 69 HD2 LYS 9 2HD LYS 9 -2.610 -11.861 1.706 70 HD3 LYS 9 1HD LYS 9 -2.577 -11.748 3.467 71 HE2 LYS 9 2HE LYS 9 -5.019 -11.444 1.724 72 HE3 LYS 9 1HE LYS 9 -4.592 -12.873 2.661 73 HZ1 LYS 9 3HZ LYS 9 -6.241 -11.492 3.773 74 HZ2 LYS 9 1HZ LYS 9 -5.185 -10.188 3.797 75 HZ3 LYS 9 2HZ LYS 9 -4.826 -11.579 4.685 76 H LEU 10 H LEU 10 -1.797 -5.601 2.822 77 HA LEU 10 HA LEU 10 -2.243 -6.009 5.693 78 HB2 LEU 10 2HB LEU 10 -1.224 -3.631 4.194 79 HB3 LEU 10 1HB LEU 10 -2.074 -3.417 5.691 80 HG LEU 10 HG LEU 10 -0.471 -4.701 6.892 81 HD11 LEU 10 1HD1 LEU 10 0.274 -6.268 5.196 82 HD12 LEU 10 2HD1 LEU 10 1.671 -5.392 5.840 83 HD13 LEU 10 3HD1 LEU 10 0.999 -4.955 4.266 84 HD21 LEU 10 3HD2 LEU 10 0.841 -2.603 5.200 85 HD22 LEU 10 1HD2 LEU 10 1.443 -3.189 6.747 86 HD23 LEU 10 2HD2 LEU 10 -0.095 -2.322 6.666 87 H CYS 11 H CYS 11 -3.710 -4.279 6.557 88 HA CYS 11 HA CYS 11 -5.917 -3.682 4.839 89 HB2 CYS 11 2HB CYS 11 -6.250 -5.958 5.006 90 HB3 CYS 11 1HB CYS 11 -6.128 -6.006 6.774 91 H GLY 12 H GLY 12 -7.644 -2.802 6.007 92 HA2 GLY 12 2HA GLY 12 -8.496 -1.185 7.445 93 HA3 GLY 12 1HA GLY 12 -7.714 -2.129 8.697 94 H ARG 13 H ARG 13 -6.709 -0.876 9.910 95 HA ARG 13 HA ARG 13 -5.760 1.695 9.226 96 HB2 ARG 13 2HB ARG 13 -5.179 0.018 11.652 97 HB3 ARG 13 1HB ARG 13 -4.755 1.709 11.452 98 HG2 ARG 13 2HG ARG 13 -7.091 2.318 11.348 99 HG3 ARG 13 1HG ARG 13 -7.558 0.617 11.458 100 HD2 ARG 13 2HD ARG 13 -6.033 2.186 13.531 101 HD3 ARG 13 1HD ARG 13 -7.727 1.708 13.637 102 HE ARG 13 HE ARG 13 -6.561 -0.640 13.296 103 HH11 ARG 13 1HH1 ARG 13 -5.667 1.993 15.482 104 HH12 ARG 13 2HH1 ARG 13 -5.063 0.962 16.695 105 HH21 ARG 13 1HH2 ARG 13 -5.651 -2.061 14.977 106 HH22 ARG 13 2HH2 ARG 13 -5.074 -1.353 16.407 107 H GLU 14 H GLU 14 -4.198 -1.506 9.336 108 HA GLU 14 HA GLU 14 -1.568 -0.432 9.448 109 HB2 GLU 14 2HB GLU 14 -2.610 -3.111 8.615 110 HB3 GLU 14 1HB GLU 14 -0.900 -2.733 8.642 111 HG2 GLU 14 2HG GLU 14 -1.239 -2.141 11.091 112 HG3 GLU 14 1HG GLU 14 -2.830 -2.885 10.931 113 H LEU 15 H LEU 15 -3.790 -1.241 7.002 114 HA LEU 15 HA LEU 15 -2.015 -1.110 4.810 115 HB2 LEU 15 2HB LEU 15 -4.305 -2.113 4.847 116 HB3 LEU 15 1HB LEU 15 -4.958 -0.491 4.857 117 HG LEU 15 HG LEU 15 -3.981 -0.080 2.645 118 HD11 LEU 15 1HD1 LEU 15 -2.045 -1.575 2.827 119 HD12 LEU 15 2HD1 LEU 15 -3.025 -1.971 1.411 120 HD13 LEU 15 3HD1 LEU 15 -3.143 -2.957 2.869 121 HD21 LEU 15 3HD2 LEU 15 -5.614 -2.591 2.882 122 HD22 LEU 15 1HD2 LEU 15 -5.384 -1.637 1.413 123 HD23 LEU 15 2HD2 LEU 15 -6.225 -0.937 2.807 124 H VAL 16 H VAL 16 -4.082 1.226 6.434 125 HA VAL 16 HA VAL 16 -3.414 3.478 4.789 126 HB VAL 16 HB VAL 16 -4.377 3.449 7.677 127 HG11 VAL 16 1HG1 VAL 16 -5.199 5.713 7.236 128 HG12 VAL 16 2HG1 VAL 16 -4.500 5.653 5.618 129 HG13 VAL 16 3HG1 VAL 16 -3.449 5.613 7.034 130 HG21 VAL 16 3HG2 VAL 16 -6.622 3.776 6.761 131 HG22 VAL 16 1HG2 VAL 16 -5.919 2.249 6.233 132 HG23 VAL 16 2HG2 VAL 16 -5.975 3.622 5.128 133 H ARG 17 H ARG 17 -2.119 2.185 7.796 134 HA ARG 17 HA ARG 17 -0.186 4.134 8.313 135 HB2 ARG 17 2HB ARG 17 -0.197 1.183 8.915 136 HB3 ARG 17 1HB ARG 17 1.095 2.240 9.444 137 HG2 ARG 17 2HG ARG 17 -0.412 3.493 10.825 138 HG3 ARG 17 1HG ARG 17 -1.799 2.617 10.176 139 HD2 ARG 17 2HD ARG 17 -1.117 1.810 12.406 140 HD3 ARG 17 1HD ARG 17 -1.013 0.551 11.179 141 HE ARG 17 HE ARG 17 1.448 1.964 11.647 142 HH11 ARG 17 1HH1 ARG 17 -0.554 -0.749 12.764 143 HH12 ARG 17 2HH1 ARG 17 0.753 -1.627 13.411 144 HH21 ARG 17 1HH2 ARG 17 3.190 0.821 12.581 145 HH22 ARG 17 2HH2 ARG 17 2.951 -0.703 13.325 146 H ALA 18 H ALA 18 0.058 1.219 6.418 147 HA ALA 18 HA ALA 18 2.726 1.523 5.572 148 HB1 ALA 18 1HB ALA 18 1.491 -0.571 5.307 149 HB2 ALA 18 2HB ALA 18 2.158 -0.033 3.762 150 HB3 ALA 18 3HB ALA 18 0.444 0.191 4.109 151 H GLN 19 H GLN 19 -0.301 2.512 4.083 152 HA GLN 19 HA GLN 19 0.615 3.721 1.777 153 HB2 GLN 19 2HB GLN 19 -1.671 4.161 3.588 154 HB3 GLN 19 1HB GLN 19 -1.516 5.259 2.256 155 HG2 GLN 19 2HG GLN 19 -1.442 3.239 0.777 156 HG3 GLN 19 1HG GLN 19 -1.806 2.263 2.208 157 HE21 GLN 19 1HE2 GLN 19 -3.229 2.571 -0.241 158 HE22 GLN 19 2HE2 GLN 19 -4.799 3.152 0.168 159 H ILE 20 H ILE 20 -0.088 5.262 4.874 160 HA ILE 20 HA ILE 20 0.931 7.814 4.314 161 HB ILE 20 HB ILE 20 0.809 6.434 7.021 162 HG12 ILE 20 2HG1 ILE 20 -1.394 6.604 5.972 163 HG13 ILE 20 1HG1 ILE 20 -1.287 7.685 7.351 164 HG21 ILE 20 1HG2 ILE 20 1.123 9.373 6.408 165 HG22 ILE 20 2HG2 ILE 20 2.339 8.320 7.129 166 HG23 ILE 20 3HG2 ILE 20 0.855 8.687 8.011 167 HD11 ILE 20 3HD1 ILE 20 -1.092 8.472 4.447 168 HD12 ILE 20 1HD1 ILE 20 -0.939 9.573 5.818 169 HD13 ILE 20 2HD1 ILE 20 -2.463 8.738 5.522 170 H ALA 21 H ALA 21 2.590 4.937 5.497 171 HA ALA 21 HA ALA 21 5.075 6.133 6.055 172 HB1 ALA 21 1HB ALA 21 6.012 3.879 5.939 173 HB2 ALA 21 2HB ALA 21 4.544 3.297 5.156 174 HB3 ALA 21 3HB ALA 21 4.487 3.863 6.824 175 H ILE 22 H ILE 22 3.733 4.723 3.134 176 HA ILE 22 HA ILE 22 5.942 4.906 1.418 177 HB ILE 22 HB ILE 22 3.048 5.414 0.688 178 HG12 ILE 22 2HG1 ILE 22 3.333 3.200 1.748 179 HG13 ILE 22 1HG1 ILE 22 2.890 3.074 0.052 180 HG21 ILE 22 1HG2 ILE 22 4.459 6.182 -1.063 181 HG22 ILE 22 2HG2 ILE 22 3.767 4.627 -1.571 182 HG23 ILE 22 3HG2 ILE 22 5.425 4.710 -1.000 183 HD11 ILE 22 3HD1 ILE 22 5.200 2.618 -0.509 184 HD12 ILE 22 1HD1 ILE 22 4.543 1.456 0.641 185 HD13 ILE 22 2HD1 ILE 22 5.637 2.729 1.200 186 H CYS 23 H CYS 23 3.308 7.157 1.987 187 HA CYS 23 HA CYS 23 4.250 9.104 0.128 188 HB2 CYS 23 2HB CYS 23 2.237 9.181 2.316 189 HB3 CYS 23 1HB CYS 23 2.440 10.423 1.096 190 H GLY 24 H GLY 24 4.553 8.596 3.454 191 HA2 GLY 24 2HA GLY 24 5.695 11.172 4.065 192 HA3 GLY 24 1HA GLY 24 5.628 9.788 5.149 193 H MET 25 H MET 25 6.938 8.170 2.869 194 HA MET 25 HA MET 25 9.538 9.319 2.883 195 HB2 MET 25 2HB MET 25 9.607 8.241 5.041 196 HB3 MET 25 1HB MET 25 8.999 6.742 4.360 197 HG2 MET 25 2HG MET 25 11.424 6.694 4.826 198 HG3 MET 25 1HG MET 25 11.003 6.398 3.137 199 HE1 MET 25 3HE MET 25 12.458 8.974 5.705 200 HE2 MET 25 1HE MET 25 11.104 9.877 5.027 201 HE3 MET 25 2HE MET 25 12.760 10.385 4.691 202 H SER 26 H SER 26 8.936 9.360 0.718 203 HA SER 26 HA SER 26 9.328 6.813 -0.653 204 HB2 SER 26 2HB SER 26 8.596 9.519 -1.793 205 HB3 SER 26 1HB SER 26 8.664 8.012 -2.705 206 HG SER 26 HG SER 26 7.090 7.849 -0.469 207 H THR 27 H THR 27 11.060 9.076 0.619 208 HA THR 27 HA THR 27 12.983 9.619 -1.471 209 HB THR 27 HB THR 27 13.301 10.227 1.437 210 HG1 THR 27 1HG THR 27 11.710 11.559 -0.537 211 HG21 THR 27 3HG2 THR 27 14.388 12.270 0.556 212 HG22 THR 27 1HG2 THR 27 14.020 11.742 -1.086 213 HG23 THR 27 2HG2 THR 27 15.143 10.814 -0.098 214 H TRP 28 H TRP 28 12.423 7.391 0.748 215 HA TRP 28 HA TRP 28 15.031 6.451 1.454 216 HB2 TRP 28 2HB TRP 28 12.956 6.003 2.751 217 HB3 TRP 28 1HB TRP 28 12.421 4.921 1.469 218 HD1 TRP 28 HD TRP 28 13.401 2.489 1.494 219 HE1 TRP 28 1HE TRP 28 14.887 1.209 3.147 220 HE3 TRP 28 3HE TRP 28 14.958 6.397 4.387 221 HZ2 TRP 28 2HZ TRP 28 16.499 1.763 5.371 222 HZ3 TRP 28 3HZ TRP 28 16.480 5.935 6.265 223 HH2 TRP 28 HH TRP 28 17.234 3.667 6.747 224 H SER 29 H SER 29 16.302 4.959 0.433 225 HA SER 29 HA SER 29 15.905 4.453 -2.300 226 HB2 SER 29 2HB SER 29 17.850 3.069 -0.434 227 HB3 SER 29 1HB SER 29 17.974 3.207 -2.184 228 HG SER 29 HG SER 29 17.759 5.643 -1.497 229 HN1 NH2 30 HT1 SER 29 16.251 2.011 0.253 230 HN2 NH2 30 HT2 SER 29 15.095 0.908 -0.396 231 HA PCA 1 HA PCA 1 -13.538 4.460 -4.091 232 HB2 PCA 1 2HB PCA 1 -14.162 2.381 -6.003 233 HB3 PCA 1 1HB PCA 1 -15.240 3.078 -4.765 234 HG2 PCA 1 2HG PCA 1 -15.246 3.540 -7.626 235 HG3 PCA 1 1HG PCA 1 -16.348 4.242 -6.393 236 H LEU 2 H LEU 2 -11.502 5.236 -5.861 237 HA LEU 2 HA LEU 2 -9.908 3.064 -6.803 238 HB2 LEU 2 2HB LEU 2 -9.032 5.837 -6.024 239 HB3 LEU 2 1HB LEU 2 -8.036 4.680 -6.879 240 HG LEU 2 HG LEU 2 -10.603 5.882 -7.929 241 HD11 LEU 2 1HD1 LEU 2 -8.809 7.520 -7.785 242 HD12 LEU 2 2HD1 LEU 2 -9.162 7.106 -9.461 243 HD13 LEU 2 3HD1 LEU 2 -7.736 6.434 -8.669 244 HD21 LEU 2 3HD2 LEU 2 -9.923 4.863 -10.065 245 HD22 LEU 2 1HD2 LEU 2 -10.218 3.646 -8.823 246 HD23 LEU 2 2HD2 LEU 2 -8.566 4.086 -9.251 247 H TYR 3 H TYR 3 -9.836 4.862 -3.821 248 HA TYR 3 HA TYR 3 -7.608 3.434 -2.720 249 HB2 TYR 3 2HB TYR 3 -9.697 5.198 -1.513 250 HB3 TYR 3 1HB TYR 3 -8.439 4.450 -0.556 251 HD1 TYR 3 1HD TYR 3 -6.032 5.122 -1.057 252 HD2 TYR 3 2HD TYR 3 -9.355 7.135 -2.776 253 HE1 TYR 3 1HE TYR 3 -4.587 7.026 -1.617 254 HE2 TYR 3 2HE TYR 3 -7.937 9.027 -3.340 255 HH TYR 3 HH TYR 3 -4.523 8.865 -3.177 256 H SER 4 H SER 4 -11.034 3.445 -2.231 257 HA SER 4 HA SER 4 -11.360 1.408 -0.412 258 HB2 SER 4 2HB SER 4 -13.161 1.999 -2.761 259 HB3 SER 4 1HB SER 4 -13.628 1.222 -1.246 260 HG SER 4 HG SER 4 -14.172 3.308 -1.014 261 H ALA 5 H ALA 5 -11.129 1.101 -3.972 262 HA ALA 5 HA ALA 5 -11.493 -1.668 -4.130 263 HB1 ALA 5 1HB ALA 5 -11.586 -0.176 -6.085 264 HB2 ALA 5 2HB ALA 5 -10.458 -1.506 -6.343 265 HB3 ALA 5 3HB ALA 5 -9.849 0.102 -5.949 266 H LEU 6 H LEU 6 -8.549 0.262 -3.827 267 HA LEU 6 HA LEU 6 -6.720 -1.885 -3.809 268 HB2 LEU 6 2HB LEU 6 -6.049 0.464 -4.134 269 HB3 LEU 6 1HB LEU 6 -6.513 0.830 -2.488 270 HG LEU 6 HG LEU 6 -4.755 -0.812 -1.738 271 HD11 LEU 6 1HD1 LEU 6 -3.921 -0.634 -4.615 272 HD12 LEU 6 2HD1 LEU 6 -4.474 -2.074 -3.753 273 HD13 LEU 6 3HD1 LEU 6 -2.950 -1.305 -3.307 274 HD21 LEU 6 3HD2 LEU 6 -4.382 1.567 -1.576 275 HD22 LEU 6 1HD2 LEU 6 -3.880 1.634 -3.262 276 HD23 LEU 6 2HD2 LEU 6 -2.893 0.772 -2.086 277 H ALA 7 H ALA 7 -8.413 -0.178 -1.225 278 HA ALA 7 HA ALA 7 -7.267 -1.368 0.995 279 HB1 ALA 7 1HB ALA 7 -9.252 -0.673 2.225 280 HB2 ALA 7 2HB ALA 7 -10.123 -0.439 0.709 281 HB3 ALA 7 3HB ALA 7 -8.747 0.591 1.103 282 H ASN 8 H ASN 8 -10.075 -2.359 -0.833 283 HA ASN 8 HA ASN 8 -10.554 -4.676 0.749 284 HB2 ASN 8 2HB ASN 8 -11.598 -3.821 -1.948 285 HB3 ASN 8 1HB ASN 8 -12.004 -5.384 -1.256 286 HD21 ASN 8 1HD2 ASN 8 -12.397 -1.934 -0.950 287 HD22 ASN 8 2HD2 ASN 8 -13.718 -1.970 0.141 288 H LYS 9 H LYS 9 -8.933 -4.138 -2.339 289 HA LYS 9 HA LYS 9 -8.453 -6.835 -2.956 290 HB2 LYS 9 2HB LYS 9 -8.160 -4.820 -4.525 291 HB3 LYS 9 1HB LYS 9 -6.682 -4.505 -3.666 292 HG2 LYS 9 2HG LYS 9 -5.728 -6.615 -4.356 293 HG3 LYS 9 1HG LYS 9 -7.223 -7.041 -5.190 294 HD2 LYS 9 2HD LYS 9 -6.932 -5.037 -6.632 295 HD3 LYS 9 1HD LYS 9 -5.386 -4.735 -5.842 296 HE2 LYS 9 2HE LYS 9 -5.038 -5.877 -7.961 297 HE3 LYS 9 1HE LYS 9 -4.576 -6.920 -6.621 298 HZ1 LYS 9 3HZ LYS 9 -5.857 -8.090 -8.337 299 HZ2 LYS 9 1HZ LYS 9 -7.159 -7.067 -8.082 300 HZ3 LYS 9 2HZ LYS 9 -6.673 -8.115 -6.866 301 H CYS 10 H CYS 10 -6.402 -4.537 -1.221 302 HA CYS 10 HA CYS 10 -4.260 -6.406 -0.882 303 HB2 CYS 10 2HB CYS 10 -4.258 -3.791 -0.721 304 HB3 CYS 10 1HB CYS 10 -4.777 -4.081 0.925 305 H CYS 11 H CYS 11 -7.163 -5.637 0.910 306 HA CYS 11 HA CYS 11 -6.335 -6.968 3.274 307 HB2 CYS 11 2HB CYS 11 -8.122 -5.188 3.119 308 HB3 CYS 11 1HB CYS 11 -9.154 -6.382 2.362 309 H HIS 12 H HIS 12 -8.153 -7.911 0.366 310 HA HIS 12 HA HIS 12 -8.745 -10.498 1.484 311 HB2 HIS 12 2HB HIS 12 -9.241 -9.279 -1.208 312 HB3 HIS 12 1HB HIS 12 -9.572 -10.972 -0.886 313 HD1 HIS 12 1HD HIS 12 -11.950 -11.398 -0.067 314 HD2 HIS 12 2HD HIS 12 -10.686 -7.512 0.618 315 HE1 HIS 12 1HE HIS 12 -13.944 -10.171 0.827 316 H VAL 13 H VAL 13 -6.795 -9.386 -1.232 317 HA VAL 13 HA VAL 13 -5.392 -11.948 -1.036 318 HB VAL 13 HB VAL 13 -4.712 -11.634 -3.415 319 HG11 VAL 13 1HG1 VAL 13 -6.922 -12.379 -4.323 320 HG12 VAL 13 2HG1 VAL 13 -7.680 -11.811 -2.833 321 HG13 VAL 13 3HG1 VAL 13 -6.541 -13.156 -2.783 322 HG21 VAL 13 3HG2 VAL 13 -6.084 -10.163 -4.853 323 HG22 VAL 13 1HG2 VAL 13 -5.122 -9.252 -3.689 324 HG23 VAL 13 2HG2 VAL 13 -6.846 -9.492 -3.410 325 H GLY 14 H GLY 14 -4.801 -8.599 -1.917 326 HA2 GLY 14 2HA GLY 14 -2.784 -7.896 -0.327 327 HA3 GLY 14 1HA GLY 14 -1.959 -8.956 -1.440 328 H CYS 15 H CYS 15 -1.118 -6.474 -1.336 329 HA CYS 15 HA CYS 15 -2.001 -5.394 -3.896 330 HB2 CYS 15 2HB CYS 15 -1.857 -3.128 -2.980 331 HB3 CYS 15 1HB CYS 15 -3.177 -4.066 -2.307 332 H THR 16 H THR 16 -0.421 -3.946 -4.822 333 HA THR 16 HA THR 16 2.200 -4.756 -4.022 334 HB THR 16 HB THR 16 2.811 -3.590 -6.239 335 HG1 THR 16 1HG THR 16 0.375 -4.168 -7.283 336 HG21 THR 16 3HG2 THR 16 2.166 -5.609 -7.530 337 HG22 THR 16 1HG2 THR 16 1.141 -6.110 -6.187 338 HG23 THR 16 2HG2 THR 16 2.894 -5.996 -5.975 339 H LYS 17 H LYS 17 3.772 -3.371 -3.661 340 HA LYS 17 HA LYS 17 3.154 -1.102 -1.982 341 HB2 LYS 17 2HB LYS 17 5.161 -2.692 -2.014 342 HB3 LYS 17 1HB LYS 17 5.834 -1.686 -3.279 343 HG2 LYS 17 2HG LYS 17 6.901 -1.016 -1.427 344 HG3 LYS 17 1HG LYS 17 5.629 0.214 -1.554 345 HD2 LYS 17 2HD LYS 17 4.409 -0.837 0.234 346 HD3 LYS 17 1HD LYS 17 5.470 -2.251 0.198 347 HE2 LYS 17 2HE LYS 17 7.368 -0.841 0.853 348 HE3 LYS 17 1HE LYS 17 6.325 0.564 0.927 349 HZ1 LYS 17 3HZ LYS 17 6.725 -0.311 3.087 350 HZ2 LYS 17 1HZ LYS 17 6.198 -1.843 2.668 351 HZ3 LYS 17 2HZ LYS 17 5.100 -0.567 2.771 352 H ARG 18 H ARG 18 4.215 -1.337 -5.345 353 HA ARG 18 HA ARG 18 4.405 1.457 -5.821 354 HB2 ARG 18 2HB ARG 18 3.588 -0.687 -7.786 355 HB3 ARG 18 1HB ARG 18 4.029 0.954 -8.208 356 HG2 ARG 18 2HG ARG 18 6.276 0.514 -7.283 357 HG3 ARG 18 1HG ARG 18 5.806 -1.170 -7.048 358 HD2 ARG 18 2HD ARG 18 5.976 0.352 -9.643 359 HD3 ARG 18 1HD ARG 18 7.023 -0.958 -9.107 360 HE ARG 18 HE ARG 18 4.327 -1.792 -9.182 361 HH11 ARG 18 1HH1 ARG 18 7.106 -1.178 -11.261 362 HH12 ARG 18 2HH1 ARG 18 6.525 -2.141 -12.541 363 HH21 ARG 18 1HH2 ARG 18 3.535 -3.099 -10.945 364 HH22 ARG 18 2HH2 ARG 18 4.452 -3.219 -12.377 365 H SER 19 H SER 19 1.734 -0.689 -5.516 366 HA SER 19 HA SER 19 -0.042 1.004 -6.915 367 HB2 SER 19 2HB SER 19 -0.294 -1.429 -6.867 368 HB3 SER 19 1HB SER 19 -0.678 -1.392 -5.164 369 HG SER 19 HG SER 19 -2.559 -1.409 -6.378 370 H LEU 20 H LEU 20 0.672 0.304 -3.497 371 HA LEU 20 HA LEU 20 -1.281 2.265 -2.642 372 HB2 LEU 20 2HB LEU 20 1.030 1.878 -0.695 373 HB3 LEU 20 1HB LEU 20 -0.631 2.150 -0.500 374 HG LEU 20 HG LEU 20 -1.145 -0.218 -1.110 375 HD11 LEU 20 1HD1 LEU 20 0.621 -1.826 -0.774 376 HD12 LEU 20 2HD1 LEU 20 1.787 -0.517 -0.596 377 HD13 LEU 20 3HD1 LEU 20 0.985 -0.782 -2.149 378 HD21 LEU 20 3HD2 LEU 20 -0.566 -1.015 1.116 379 HD22 LEU 20 1HD2 LEU 20 -1.242 0.618 1.152 380 HD23 LEU 20 2HD2 LEU 20 0.503 0.371 1.319 381 H ALA 21 H ALA 21 1.912 2.364 -3.644 382 HA ALA 21 HA ALA 21 2.443 5.049 -2.884 383 HB1 ALA 21 1HB ALA 21 4.357 4.966 -4.354 384 HB2 ALA 21 2HB ALA 21 3.708 3.544 -5.166 385 HB3 ALA 21 3HB ALA 21 4.229 3.436 -3.485 386 H ARG 22 H ARG 22 0.955 3.700 -5.741 387 HA ARG 22 HA ARG 22 1.027 6.218 -7.114 388 HB2 ARG 22 2HB ARG 22 -0.281 5.180 -8.880 389 HB3 ARG 22 1HB ARG 22 1.008 4.095 -8.385 390 HG2 ARG 22 2HG ARG 22 -0.637 2.847 -7.025 391 HG3 ARG 22 1HG ARG 22 -1.894 3.903 -7.644 392 HD2 ARG 22 2HD ARG 22 -1.423 3.186 -9.923 393 HD3 ARG 22 1HD ARG 22 -0.130 2.144 -9.334 394 HE ARG 22 HE ARG 22 -2.070 1.090 -7.984 395 HH11 ARG 22 1HH1 ARG 22 -2.250 2.225 -11.350 396 HH12 ARG 22 2HH1 ARG 22 -3.486 1.141 -11.786 397 HH21 ARG 22 1HH2 ARG 22 -3.744 -0.414 -8.626 398 HH22 ARG 22 2HH2 ARG 22 -4.337 -0.375 -10.229 399 H PHE 23 H PHE 23 -1.030 4.795 -4.858 400 HA PHE 23 HA PHE 23 -3.166 6.655 -5.550 401 HB2 PHE 23 2HB PHE 23 -3.151 4.300 -3.689 402 HB3 PHE 23 1HB PHE 23 -4.476 5.454 -3.732 403 HD1 PHE 23 1HD PHE 23 -5.350 5.924 -6.233 404 HD2 PHE 23 2HD PHE 23 -3.369 2.390 -4.954 405 HE1 PHE 23 1HE PHE 23 -6.348 4.684 -8.107 406 HE2 PHE 23 2HE PHE 23 -4.368 1.147 -6.812 407 HZ PHE 23 HZ PHE 23 -5.857 2.292 -8.395 408 H CYS 24 H CYS 24 -1.190 5.761 -2.896 409 HA CYS 24 HA CYS 24 -0.284 6.899 -1.179 410 HB2 CYS 24 2HB CYS 24 0.282 8.621 -2.905 411 HB3 CYS 24 1HB CYS 24 -1.242 9.427 -2.563 412 HN1 NH2 25 HT1 CYS 24 -1.651 6.019 0.276 413 HN2 NH2 25 HT2 CYS 24 -2.998 6.852 0.970 Start of MODEL 8 1 H1 ASP 1 1HT ASP 1 14.287 3.416 -2.608 2 H2 ASP 1 2HT ASP 1 15.015 2.060 -3.239 3 H3 ASP 1 3HT ASP 1 14.089 1.929 -1.838 4 HA ASP 1 HA ASP 1 12.097 2.592 -3.112 5 HB2 ASP 1 2HB ASP 1 14.010 2.487 -5.453 6 HB3 ASP 1 1HB ASP 1 12.258 2.479 -5.588 7 H SER 2 H SER 2 14.475 0.082 -3.127 8 HA SER 2 HA SER 2 13.054 -1.770 -4.675 9 HB2 SER 2 2HB SER 2 15.067 -2.291 -2.478 10 HB3 SER 2 1HB SER 2 14.597 -3.426 -3.746 11 HG SER 2 HG SER 2 15.722 -2.348 -5.181 12 H TRP 3 H TRP 3 12.483 -0.564 -1.806 13 HA TRP 3 HA TRP 3 10.959 -2.713 -0.605 14 HB2 TRP 3 2HB TRP 3 10.246 -0.965 1.051 15 HB3 TRP 3 1HB TRP 3 11.985 -1.169 0.930 16 HD1 TRP 3 HD TRP 3 13.369 0.986 0.515 17 HE1 TRP 3 1HE TRP 3 12.822 3.450 -0.052 18 HE3 TRP 3 3HE TRP 3 8.363 0.548 -0.341 19 HZ2 TRP 3 2HZ TRP 3 10.570 4.980 -0.762 20 HZ3 TRP 3 3HZ TRP 3 7.093 2.472 -0.977 21 HH2 TRP 3 HH TRP 3 8.163 4.710 -1.178 22 H MET 4 H MET 4 10.436 -0.572 -3.121 23 HA MET 4 HA MET 4 7.609 -0.202 -2.595 24 HB2 MET 4 2HB MET 4 8.973 1.740 -3.264 25 HB3 MET 4 1HB MET 4 9.353 0.931 -4.775 26 HG2 MET 4 2HG MET 4 7.045 1.019 -5.438 27 HG3 MET 4 1HG MET 4 6.599 1.741 -3.895 28 HE1 MET 4 3HE MET 4 9.301 3.873 -6.978 29 HE2 MET 4 1HE MET 4 8.740 2.215 -7.158 30 HE3 MET 4 2HE MET 4 9.910 2.624 -5.898 31 H GLU 5 H GLU 5 9.792 -1.830 -4.808 32 HA GLU 5 HA GLU 5 7.565 -3.012 -6.216 33 HB2 GLU 5 2HB GLU 5 10.494 -3.832 -6.195 34 HB3 GLU 5 1HB GLU 5 9.276 -4.506 -7.255 35 HG2 GLU 5 2HG GLU 5 10.591 -2.995 -8.532 36 HG3 GLU 5 1HG GLU 5 9.035 -2.219 -8.261 37 H GLU 6 H GLU 6 6.366 -3.894 -4.643 38 HA GLU 6 HA GLU 6 7.313 -6.244 -3.273 39 HB2 GLU 6 2HB GLU 6 8.038 -4.027 -1.986 40 HB3 GLU 6 1HB GLU 6 6.327 -3.919 -1.735 41 HG2 GLU 6 2HG GLU 6 6.191 -5.812 -0.402 42 HG3 GLU 6 1HG GLU 6 7.823 -6.329 -0.825 43 H VAL 7 H VAL 7 5.488 -7.092 -2.092 44 HA VAL 7 HA VAL 7 2.895 -5.952 -2.614 45 HB VAL 7 HB VAL 7 3.133 -7.498 -4.517 46 HG11 VAL 7 1HG1 VAL 7 3.444 -9.902 -4.225 47 HG12 VAL 7 2HG1 VAL 7 3.701 -9.647 -2.499 48 HG13 VAL 7 3HG1 VAL 7 4.835 -8.969 -3.670 49 HG21 VAL 7 3HG2 VAL 7 0.905 -7.359 -3.542 50 HG22 VAL 7 1HG2 VAL 7 1.293 -8.658 -2.417 51 HG23 VAL 7 2HG2 VAL 7 1.201 -8.988 -4.145 52 H ILE 8 H ILE 8 1.622 -6.111 -0.928 53 HA ILE 8 HA ILE 8 2.379 -7.962 1.181 54 HB ILE 8 HB ILE 8 2.031 -6.332 2.940 55 HG12 ILE 8 2HG1 ILE 8 0.412 -4.805 1.790 56 HG13 ILE 8 1HG1 ILE 8 1.696 -3.942 2.616 57 HG21 ILE 8 1HG2 ILE 8 4.278 -6.582 2.231 58 HG22 ILE 8 2HG2 ILE 8 3.990 -4.896 2.663 59 HG23 ILE 8 3HG2 ILE 8 4.064 -5.370 0.966 60 HD11 ILE 8 3HD1 ILE 8 2.803 -3.599 0.436 61 HD12 ILE 8 1HD1 ILE 8 1.187 -2.897 0.517 62 HD13 ILE 8 2HD1 ILE 8 1.445 -4.408 -0.349 63 H LYS 9 H LYS 9 0.597 -8.171 2.805 64 HA LYS 9 HA LYS 9 -1.988 -7.561 1.597 65 HB2 LYS 9 2HB LYS 9 -1.422 -9.975 1.297 66 HB3 LYS 9 1HB LYS 9 -1.278 -10.128 3.040 67 HG2 LYS 9 2HG LYS 9 -3.619 -9.738 3.337 68 HG3 LYS 9 1HG LYS 9 -3.815 -9.304 1.640 69 HD2 LYS 9 2HD LYS 9 -4.626 -11.553 1.982 70 HD3 LYS 9 1HD LYS 9 -3.155 -11.608 1.015 71 HE2 LYS 9 2HE LYS 9 -1.886 -12.148 3.090 72 HE3 LYS 9 1HE LYS 9 -3.418 -12.209 3.959 73 HZ1 LYS 9 3HZ LYS 9 -4.106 -13.997 2.369 74 HZ2 LYS 9 1HZ LYS 9 -2.781 -14.412 3.327 75 HZ3 LYS 9 2HZ LYS 9 -2.556 -13.966 1.733 76 H LEU 10 H LEU 10 -2.324 -5.830 2.814 77 HA LEU 10 HA LEU 10 -2.571 -6.168 5.735 78 HB2 LEU 10 2HB LEU 10 -1.464 -3.863 4.174 79 HB3 LEU 10 1HB LEU 10 -2.290 -3.576 5.675 80 HG LEU 10 HG LEU 10 -0.704 -4.896 6.885 81 HD11 LEU 10 1HD1 LEU 10 0.735 -5.196 4.247 82 HD12 LEU 10 2HD1 LEU 10 -0.018 -6.496 5.178 83 HD13 LEU 10 3HD1 LEU 10 1.401 -5.652 5.815 84 HD21 LEU 10 3HD2 LEU 10 0.623 -2.848 5.141 85 HD22 LEU 10 1HD2 LEU 10 1.245 -3.436 6.680 86 HD23 LEU 10 2HD2 LEU 10 -0.273 -2.536 6.624 87 H CYS 11 H CYS 11 -3.927 -4.294 6.574 88 HA CYS 11 HA CYS 11 -6.230 -3.802 4.837 89 HB2 CYS 11 2HB CYS 11 -6.316 -5.203 7.389 90 HB3 CYS 11 1HB CYS 11 -7.788 -4.811 6.491 91 H GLY 12 H GLY 12 -7.711 -2.356 5.868 92 HA2 GLY 12 2HA GLY 12 -8.349 -0.485 7.083 93 HA3 GLY 12 1HA GLY 12 -7.887 -1.484 8.430 94 H ARG 13 H ARG 13 -6.754 -0.529 9.727 95 HA ARG 13 HA ARG 13 -5.496 1.973 9.386 96 HB2 ARG 13 2HB ARG 13 -6.327 1.187 11.549 97 HB3 ARG 13 1HB ARG 13 -5.120 -0.090 11.559 98 HG2 ARG 13 2HG ARG 13 -3.361 1.681 11.568 99 HG3 ARG 13 1HG ARG 13 -4.650 2.874 11.754 100 HD2 ARG 13 2HD ARG 13 -3.682 2.295 13.922 101 HD3 ARG 13 1HD ARG 13 -5.365 1.770 13.816 102 HE ARG 13 HE ARG 13 -3.726 -0.339 12.977 103 HH11 ARG 13 1HH1 ARG 13 -4.415 1.353 16.006 104 HH12 ARG 13 2HH1 ARG 13 -4.101 -0.016 16.971 105 HH21 ARG 13 1HH2 ARG 13 -3.327 -2.103 14.211 106 HH22 ARG 13 2HH2 ARG 13 -3.443 -2.086 15.920 107 H GLU 14 H GLU 14 -4.232 -1.376 9.259 108 HA GLU 14 HA GLU 14 -1.512 -0.559 9.447 109 HB2 GLU 14 2HB GLU 14 -2.893 -3.122 8.666 110 HB3 GLU 14 1HB GLU 14 -1.154 -2.947 8.557 111 HG2 GLU 14 2HG GLU 14 -1.847 -4.100 10.605 112 HG3 GLU 14 1HG GLU 14 -1.010 -2.594 10.952 113 H LEU 15 H LEU 15 -3.833 -1.058 6.998 114 HA LEU 15 HA LEU 15 -2.143 -1.147 4.727 115 HB2 LEU 15 2HB LEU 15 -4.661 -1.659 5.058 116 HB3 LEU 15 1HB LEU 15 -4.875 0.056 4.800 117 HG LEU 15 HG LEU 15 -3.696 -0.246 2.595 118 HD11 LEU 15 1HD1 LEU 15 -2.594 -2.325 3.077 119 HD12 LEU 15 2HD1 LEU 15 -3.751 -2.598 1.762 120 HD13 LEU 15 3HD1 LEU 15 -4.142 -3.079 3.425 121 HD21 LEU 15 3HD2 LEU 15 -5.662 -1.143 1.514 122 HD22 LEU 15 1HD2 LEU 15 -6.127 -0.025 2.800 123 HD23 LEU 15 2HD2 LEU 15 -6.243 -1.769 3.062 124 H VAL 16 H VAL 16 -3.868 1.398 6.455 125 HA VAL 16 HA VAL 16 -3.050 3.558 4.766 126 HB VAL 16 HB VAL 16 -4.166 3.568 7.599 127 HG11 VAL 16 1HG1 VAL 16 -3.892 5.853 5.644 128 HG12 VAL 16 2HG1 VAL 16 -3.003 5.653 7.157 129 HG13 VAL 16 3HG1 VAL 16 -4.747 5.912 7.187 130 HG21 VAL 16 3HG2 VAL 16 -6.285 4.186 6.507 131 HG22 VAL 16 1HG2 VAL 16 -5.708 2.594 6.006 132 HG23 VAL 16 2HG2 VAL 16 -5.514 3.982 4.936 133 H ARG 17 H ARG 17 -1.884 2.171 7.742 134 HA ARG 17 HA ARG 17 0.158 3.996 8.276 135 HB2 ARG 17 2HB ARG 17 -0.041 1.051 8.845 136 HB3 ARG 17 1HB ARG 17 1.277 2.026 9.456 137 HG2 ARG 17 2HG ARG 17 -1.642 2.425 10.064 138 HG3 ARG 17 1HG ARG 17 -0.458 1.659 11.122 139 HD2 ARG 17 2HD ARG 17 0.803 3.740 11.222 140 HD3 ARG 17 1HD ARG 17 -0.363 4.513 10.152 141 HE ARG 17 HE ARG 17 -2.027 4.162 11.850 142 HH11 ARG 17 1HH1 ARG 17 1.392 4.154 12.837 143 HH12 ARG 17 2HH1 ARG 17 1.083 4.511 14.462 144 HH21 ARG 17 1HH2 ARG 17 -2.456 4.680 14.153 145 HH22 ARG 17 2HH2 ARG 17 -1.137 4.797 15.224 146 H ALA 18 H ALA 18 0.140 1.163 6.261 147 HA ALA 18 HA ALA 18 2.850 1.303 5.454 148 HB1 ALA 18 1HB ALA 18 2.201 -0.164 3.594 149 HB2 ALA 18 2HB ALA 18 0.500 0.150 3.938 150 HB3 ALA 18 3HB ALA 18 1.492 -0.716 5.111 151 H GLN 19 H GLN 19 -0.122 2.546 4.059 152 HA GLN 19 HA GLN 19 0.766 3.798 1.765 153 HB2 GLN 19 2HB GLN 19 -1.377 4.496 3.721 154 HB3 GLN 19 1HB GLN 19 -1.230 5.395 2.241 155 HG2 GLN 19 2HG GLN 19 -1.446 3.230 1.035 156 HG3 GLN 19 1HG GLN 19 -1.744 2.452 2.588 157 HE21 GLN 19 1HE2 GLN 19 -3.333 2.532 0.279 158 HE22 GLN 19 2HE2 GLN 19 -4.846 3.231 0.681 159 H ILE 20 H ILE 20 0.175 5.353 4.869 160 HA ILE 20 HA ILE 20 1.316 7.845 4.435 161 HB ILE 20 HB ILE 20 1.148 6.261 7.015 162 HG12 ILE 20 2HG1 ILE 20 -0.607 8.470 5.923 163 HG13 ILE 20 1HG1 ILE 20 -1.000 6.755 5.913 164 HG21 ILE 20 1HG2 ILE 20 1.418 8.377 8.222 165 HG22 ILE 20 2HG2 ILE 20 1.708 9.209 6.696 166 HG23 ILE 20 3HG2 ILE 20 2.853 7.995 7.268 167 HD11 ILE 20 3HD1 ILE 20 -0.996 6.753 8.361 168 HD12 ILE 20 1HD1 ILE 20 -2.151 7.910 7.699 169 HD13 ILE 20 2HD1 ILE 20 -0.613 8.475 8.352 170 H ALA 21 H ALA 21 2.892 4.862 5.383 171 HA ALA 21 HA ALA 21 5.417 5.993 5.975 172 HB1 ALA 21 1HB ALA 21 4.714 3.171 5.200 173 HB2 ALA 21 2HB ALA 21 4.752 3.813 6.842 174 HB3 ALA 21 3HB ALA 21 6.245 3.685 5.907 175 H ILE 22 H ILE 22 3.894 5.003 3.031 176 HA ILE 22 HA ILE 22 6.349 5.149 1.470 177 HB ILE 22 HB ILE 22 3.461 4.852 0.578 178 HG12 ILE 22 2HG1 ILE 22 5.576 2.706 0.814 179 HG13 ILE 22 1HG1 ILE 22 4.306 2.980 2.002 180 HG21 ILE 22 1HG2 ILE 22 4.405 4.069 -1.535 181 HG22 ILE 22 2HG2 ILE 22 6.030 4.410 -0.940 182 HG23 ILE 22 3HG2 ILE 22 4.885 5.730 -1.188 183 HD11 ILE 22 3HD1 ILE 22 3.897 2.205 -0.878 184 HD12 ILE 22 1HD1 ILE 22 2.625 2.512 0.304 185 HD13 ILE 22 2HD1 ILE 22 3.723 1.154 0.531 186 H CYS 23 H CYS 23 3.566 7.087 2.275 187 HA CYS 23 HA CYS 23 3.849 8.992 0.174 188 HB2 CYS 23 2HB CYS 23 2.401 8.991 2.776 189 HB3 CYS 23 1HB CYS 23 2.363 10.356 1.677 190 H GLY 24 H GLY 24 5.114 8.696 3.338 191 HA2 GLY 24 2HA GLY 24 6.634 11.162 2.886 192 HA3 GLY 24 1HA GLY 24 6.378 10.418 4.474 193 H MET 25 H MET 25 7.554 8.813 5.102 194 HA MET 25 HA MET 25 8.862 6.929 3.611 195 HB2 MET 25 2HB MET 25 10.392 8.688 2.854 196 HB3 MET 25 1HB MET 25 10.799 9.076 4.525 197 HG2 MET 25 2HG MET 25 12.541 7.720 3.512 198 HG3 MET 25 1HG MET 25 11.740 6.839 4.805 199 HE1 MET 25 3HE MET 25 12.874 4.602 3.870 200 HE2 MET 25 1HE MET 25 13.615 5.518 2.557 201 HE3 MET 25 2HE MET 25 12.706 4.049 2.202 202 H SER 26 H SER 26 8.010 5.721 5.124 203 HA SER 26 HA SER 26 9.607 5.602 7.557 204 HB2 SER 26 2HB SER 26 7.495 6.769 8.173 205 HB3 SER 26 1HB SER 26 6.572 5.410 7.541 206 HG SER 26 HG SER 26 7.875 4.149 9.090 207 H THR 27 H THR 27 9.094 4.191 4.876 208 HA THR 27 HA THR 27 8.326 1.547 5.563 209 HB THR 27 HB THR 27 10.090 2.423 3.262 210 HG1 THR 27 1HG THR 27 7.243 2.280 3.325 211 HG21 THR 27 3HG2 THR 27 9.091 0.512 2.108 212 HG22 THR 27 1HG2 THR 27 8.117 0.150 3.530 213 HG23 THR 27 2HG2 THR 27 9.872 -0.015 3.600 214 H TRP 28 H TRP 28 11.034 3.357 5.433 215 HA TRP 28 HA TRP 28 12.678 1.728 7.128 216 HB2 TRP 28 2HB TRP 28 13.596 2.429 4.306 217 HB3 TRP 28 1HB TRP 28 14.656 1.857 5.583 218 HD1 TRP 28 HD TRP 28 12.645 0.645 2.750 219 HE1 TRP 28 1HE TRP 28 12.436 -1.923 2.808 220 HE3 TRP 28 3HE TRP 28 14.326 -0.211 7.497 221 HZ2 TRP 28 2HZ TRP 28 12.909 -4.016 4.614 222 HZ3 TRP 28 3HZ TRP 28 14.407 -2.528 8.313 223 HH2 TRP 28 HH TRP 28 13.715 -4.388 6.905 224 H SER 29 H SER 29 14.877 3.127 7.284 225 HA SER 29 HA SER 29 14.004 5.740 8.022 226 HB2 SER 29 2HB SER 29 16.792 4.586 7.982 227 HB3 SER 29 1HB SER 29 16.239 5.984 8.906 228 HG SER 29 HG SER 29 16.268 4.212 10.241 229 HN1 NH2 30 HT1 SER 29 13.575 6.999 6.333 230 HN2 NH2 30 HT2 SER 29 14.643 7.354 5.009 231 HA PCA 1 HA PCA 1 -13.661 4.189 -5.299 232 HB2 PCA 1 2HB PCA 1 -14.173 1.577 -6.247 233 HB3 PCA 1 1HB PCA 1 -15.412 2.816 -5.906 234 HG2 PCA 1 2HG PCA 1 -14.482 1.816 -8.485 235 HG3 PCA 1 1HG PCA 1 -15.820 2.967 -8.152 236 H LEU 2 H LEU 2 -11.262 4.283 -6.759 237 HA LEU 2 HA LEU 2 -9.799 1.793 -6.567 238 HB2 LEU 2 2HB LEU 2 -8.792 4.584 -6.999 239 HB3 LEU 2 1HB LEU 2 -7.798 3.142 -7.070 240 HG LEU 2 HG LEU 2 -10.112 3.754 -8.916 241 HD11 LEU 2 1HD1 LEU 2 -7.148 3.778 -9.434 242 HD12 LEU 2 2HD1 LEU 2 -8.180 5.201 -9.299 243 HD13 LEU 2 3HD1 LEU 2 -8.416 4.062 -10.625 244 HD21 LEU 2 3HD2 LEU 2 -9.859 1.356 -8.592 245 HD22 LEU 2 1HD2 LEU 2 -8.127 1.478 -8.914 246 HD23 LEU 2 2HD2 LEU 2 -9.288 1.815 -10.192 247 H TYR 3 H TYR 3 -10.282 4.322 -4.357 248 HA TYR 3 HA TYR 3 -8.139 3.425 -2.711 249 HB2 TYR 3 2HB TYR 3 -9.552 5.730 -2.798 250 HB3 TYR 3 1HB TYR 3 -10.311 4.928 -1.416 251 HD1 TYR 3 1HD TYR 3 -7.024 5.709 -2.855 252 HD2 TYR 3 2HD TYR 3 -9.281 5.059 0.673 253 HE1 TYR 3 1HE TYR 3 -5.100 6.289 -1.581 254 HE2 TYR 3 2HE TYR 3 -7.336 5.660 2.033 255 HH TYR 3 HH TYR 3 -4.823 5.670 1.749 256 H SER 4 H SER 4 -11.623 2.930 -2.800 257 HA SER 4 HA SER 4 -11.733 1.247 -0.518 258 HB2 SER 4 2HB SER 4 -13.629 1.455 -2.875 259 HB3 SER 4 1HB SER 4 -13.988 0.687 -1.328 260 HG SER 4 HG SER 4 -14.480 2.527 -0.596 261 H ALA 5 H ALA 5 -11.346 0.755 -3.985 262 HA ALA 5 HA ALA 5 -11.474 -2.022 -4.060 263 HB1 ALA 5 1HB ALA 5 -10.256 -1.868 -6.169 264 HB2 ALA 5 2HB ALA 5 -9.779 -0.216 -5.789 265 HB3 ALA 5 3HB ALA 5 -11.478 -0.597 -6.080 266 H LEU 6 H LEU 6 -8.639 0.105 -3.758 267 HA LEU 6 HA LEU 6 -6.706 -1.872 -3.436 268 HB2 LEU 6 2HB LEU 6 -6.210 0.519 -3.792 269 HB3 LEU 6 1HB LEU 6 -6.826 0.889 -2.199 270 HG LEU 6 HG LEU 6 -4.969 -0.455 -1.219 271 HD11 LEU 6 1HD1 LEU 6 -4.034 -0.558 -4.066 272 HD12 LEU 6 2HD1 LEU 6 -4.508 -1.929 -3.058 273 HD13 LEU 6 3HD1 LEU 6 -3.061 -1.000 -2.664 274 HD21 LEU 6 3HD2 LEU 6 -4.170 1.815 -3.033 275 HD22 LEU 6 1HD2 LEU 6 -3.205 1.206 -1.688 276 HD23 LEU 6 2HD2 LEU 6 -4.768 1.956 -1.382 277 H ALA 7 H ALA 7 -8.760 -0.297 -1.025 278 HA ALA 7 HA ALA 7 -7.654 -1.420 1.280 279 HB1 ALA 7 1HB ALA 7 -10.543 -0.687 0.802 280 HB2 ALA 7 2HB ALA 7 -9.277 0.426 1.318 281 HB3 ALA 7 3HB ALA 7 -9.773 -0.896 2.374 282 H ASN 8 H ASN 8 -10.416 -2.536 -0.605 283 HA ASN 8 HA ASN 8 -10.754 -4.936 0.870 284 HB2 ASN 8 2HB ASN 8 -11.736 -4.148 -1.879 285 HB3 ASN 8 1HB ASN 8 -12.099 -5.705 -1.152 286 HD21 ASN 8 1HD2 ASN 8 -12.692 -2.287 -1.035 287 HD22 ASN 8 2HD2 ASN 8 -14.061 -2.350 -0.008 288 H LYS 9 H LYS 9 -9.336 -4.350 -2.317 289 HA LYS 9 HA LYS 9 -8.666 -6.977 -2.901 290 HB2 LYS 9 2HB LYS 9 -7.499 -4.382 -3.795 291 HB3 LYS 9 1HB LYS 9 -6.946 -5.883 -4.484 292 HG2 LYS 9 2HG LYS 9 -9.282 -6.335 -5.205 293 HG3 LYS 9 1HG LYS 9 -9.755 -4.765 -4.554 294 HD2 LYS 9 2HD LYS 9 -9.444 -4.527 -6.914 295 HD3 LYS 9 1HD LYS 9 -8.097 -3.725 -6.111 296 HE2 LYS 9 2HE LYS 9 -7.286 -5.000 -8.003 297 HE3 LYS 9 1HE LYS 9 -6.703 -5.724 -6.511 298 HZ1 LYS 9 3HZ LYS 9 -8.456 -7.417 -6.715 299 HZ2 LYS 9 1HZ LYS 9 -7.492 -7.375 -8.097 300 HZ3 LYS 9 2HZ LYS 9 -9.009 -6.669 -8.112 301 H CYS 10 H CYS 10 -6.678 -4.557 -1.240 302 HA CYS 10 HA CYS 10 -4.415 -6.325 -1.100 303 HB2 CYS 10 2HB CYS 10 -4.444 -3.744 -0.978 304 HB3 CYS 10 1HB CYS 10 -4.957 -3.971 0.684 305 H CYS 11 H CYS 11 -7.261 -5.777 0.873 306 HA CYS 11 HA CYS 11 -6.174 -7.116 3.134 307 HB2 CYS 11 2HB CYS 11 -8.170 -5.460 3.067 308 HB3 CYS 11 1HB CYS 11 -9.096 -6.839 2.524 309 H HIS 12 H HIS 12 -8.019 -8.090 0.290 310 HA HIS 12 HA HIS 12 -8.424 -10.785 1.321 311 HB2 HIS 12 2HB HIS 12 -9.054 -9.591 -1.375 312 HB3 HIS 12 1HB HIS 12 -9.395 -11.254 -0.948 313 HD1 HIS 12 1HD HIS 12 -11.727 -11.602 0.126 314 HD2 HIS 12 2HD HIS 12 -10.354 -7.738 0.137 315 HE1 HIS 12 1HE HIS 12 -13.658 -10.236 1.000 316 H VAL 13 H VAL 13 -6.833 -9.350 -1.428 317 HA VAL 13 HA VAL 13 -5.419 -11.860 -1.827 318 HB VAL 13 HB VAL 13 -6.990 -10.359 -3.446 319 HG11 VAL 13 1HG1 VAL 13 -5.501 -8.633 -3.903 320 HG12 VAL 13 2HG1 VAL 13 -5.705 -9.594 -5.368 321 HG13 VAL 13 3HG1 VAL 13 -4.233 -9.756 -4.401 322 HG21 VAL 13 3HG2 VAL 13 -6.688 -12.614 -3.669 323 HG22 VAL 13 1HG2 VAL 13 -5.004 -12.451 -4.199 324 HG23 VAL 13 2HG2 VAL 13 -6.334 -11.858 -5.226 325 H GLY 14 H GLY 14 -4.949 -8.393 -1.671 326 HA2 GLY 14 2HA GLY 14 -2.872 -7.738 -0.409 327 HA3 GLY 14 1HA GLY 14 -2.041 -8.843 -1.480 328 H CYS 15 H CYS 15 -1.149 -6.336 -1.419 329 HA CYS 15 HA CYS 15 -1.910 -5.392 -4.058 330 HB2 CYS 15 2HB CYS 15 -1.962 -3.085 -3.264 331 HB3 CYS 15 1HB CYS 15 -3.258 -4.062 -2.603 332 H THR 16 H THR 16 -0.329 -3.946 -4.932 333 HA THR 16 HA THR 16 2.281 -4.641 -4.021 334 HB THR 16 HB THR 16 2.958 -3.324 -6.104 335 HG1 THR 16 1HG THR 16 0.468 -3.727 -7.204 336 HG21 THR 16 3HG2 THR 16 2.364 -5.180 -7.615 337 HG22 THR 16 1HG2 THR 16 1.201 -5.767 -6.424 338 HG23 THR 16 2HG2 THR 16 2.927 -5.766 -6.052 339 H LYS 17 H LYS 17 3.739 -3.235 -3.405 340 HA LYS 17 HA LYS 17 2.939 -0.981 -1.785 341 HB2 LYS 17 2HB LYS 17 5.097 -2.568 -1.906 342 HB3 LYS 17 1HB LYS 17 5.801 -1.210 -2.744 343 HG2 LYS 17 2HG LYS 17 6.432 -1.033 -0.535 344 HG3 LYS 17 1HG LYS 17 5.148 0.168 -0.732 345 HD2 LYS 17 2HD LYS 17 3.561 -1.278 0.341 346 HD3 LYS 17 1HD LYS 17 4.702 -2.623 0.312 347 HE2 LYS 17 2HE LYS 17 5.063 -0.063 1.840 348 HE3 LYS 17 1HE LYS 17 4.524 -1.592 2.537 349 HZ1 LYS 17 3HZ LYS 17 6.862 -1.337 2.924 350 HZ2 LYS 17 1HZ LYS 17 7.176 -1.078 1.275 351 HZ3 LYS 17 2HZ LYS 17 6.647 -2.575 1.787 352 H ARG 18 H ARG 18 4.257 -1.302 -5.011 353 HA ARG 18 HA ARG 18 4.456 1.368 -5.771 354 HB2 ARG 18 2HB ARG 18 3.963 -1.176 -7.204 355 HB3 ARG 18 1HB ARG 18 3.596 0.308 -8.061 356 HG2 ARG 18 2HG ARG 18 6.265 -0.427 -6.883 357 HG3 ARG 18 1HG ARG 18 5.816 -0.539 -8.587 358 HD2 ARG 18 2HD ARG 18 6.039 1.976 -6.918 359 HD3 ARG 18 1HD ARG 18 7.025 1.500 -8.295 360 HE ARG 18 HE ARG 18 4.719 1.614 -9.487 361 HH11 ARG 18 1HH1 ARG 18 5.968 3.887 -7.045 362 HH12 ARG 18 2HH1 ARG 18 5.113 5.228 -7.637 363 HH21 ARG 18 1HH2 ARG 18 3.532 3.467 -10.297 364 HH22 ARG 18 2HH2 ARG 18 3.703 4.990 -9.537 365 H SER 19 H SER 19 1.650 -0.633 -5.347 366 HA SER 19 HA SER 19 -0.108 1.025 -6.837 367 HB2 SER 19 2HB SER 19 -0.549 -1.350 -6.624 368 HB3 SER 19 1HB SER 19 -0.644 -1.251 -4.883 369 HG SER 19 HG SER 19 -2.665 -0.758 -5.134 370 H LEU 20 H LEU 20 0.548 0.485 -3.378 371 HA LEU 20 HA LEU 20 -1.331 2.520 -2.659 372 HB2 LEU 20 2HB LEU 20 0.890 1.934 -0.666 373 HB3 LEU 20 1HB LEU 20 -0.750 2.395 -0.460 374 HG LEU 20 HG LEU 20 -1.435 0.065 -1.210 375 HD11 LEU 20 1HD1 LEU 20 0.740 -0.610 -2.095 376 HD12 LEU 20 2HD1 LEU 20 0.164 -1.663 -0.813 377 HD13 LEU 20 3HD1 LEU 20 1.414 -0.466 -0.469 378 HD21 LEU 20 3HD2 LEU 20 -1.109 -0.822 1.025 379 HD22 LEU 20 1HD2 LEU 20 -1.626 0.871 1.080 380 HD23 LEU 20 2HD2 LEU 20 0.075 0.441 1.345 381 H ALA 21 H ALA 21 1.898 2.483 -3.554 382 HA ALA 21 HA ALA 21 2.579 5.145 -2.779 383 HB1 ALA 21 1HB ALA 21 3.715 3.593 -5.106 384 HB2 ALA 21 2HB ALA 21 4.273 3.430 -3.449 385 HB3 ALA 21 3HB ALA 21 4.467 4.969 -4.297 386 H ARG 22 H ARG 22 1.163 3.782 -5.639 387 HA ARG 22 HA ARG 22 1.197 6.105 -7.246 388 HB2 ARG 22 2HB ARG 22 0.987 3.862 -8.182 389 HB3 ARG 22 1HB ARG 22 -0.538 3.632 -7.349 390 HG2 ARG 22 2HG ARG 22 -0.952 4.075 -9.677 391 HG3 ARG 22 1HG ARG 22 -1.511 5.427 -8.683 392 HD2 ARG 22 2HD ARG 22 0.464 6.709 -9.252 393 HD3 ARG 22 1HD ARG 22 1.121 5.350 -10.168 394 HE ARG 22 HE ARG 22 -1.426 6.028 -11.113 395 HH11 ARG 22 1HH1 ARG 22 1.911 7.296 -11.209 396 HH12 ARG 22 2HH1 ARG 22 1.669 8.095 -12.692 397 HH21 ARG 22 1HH2 ARG 22 -1.677 7.109 -13.172 398 HH22 ARG 22 2HH2 ARG 22 -0.363 7.981 -13.818 399 H PHE 23 H PHE 23 -0.891 4.956 -4.803 400 HA PHE 23 HA PHE 23 -2.912 6.952 -5.501 401 HB2 PHE 23 2HB PHE 23 -3.027 4.716 -3.492 402 HB3 PHE 23 1HB PHE 23 -4.306 5.905 -3.706 403 HD1 PHE 23 2HD PHE 23 -5.030 6.180 -6.268 404 HD2 PHE 23 1HD PHE 23 -3.263 2.712 -4.577 405 HE1 PHE 23 2HE PHE 23 -5.955 4.830 -8.087 406 HE2 PHE 23 1HE PHE 23 -4.185 1.344 -6.392 407 HZ PHE 23 HZ PHE 23 -5.535 2.400 -8.159 408 H CYS 24 H CYS 24 -1.037 5.971 -2.792 409 HA CYS 24 HA CYS 24 -0.245 6.984 -0.969 410 HB2 CYS 24 2HB CYS 24 0.700 8.672 -2.491 411 HB3 CYS 24 1HB CYS 24 -0.814 9.568 -2.449 412 HN1 NH2 25 HT1 CYS 24 -1.591 6.383 0.532 413 HN2 NH2 25 HT2 CYS 24 -3.047 7.199 0.986 Start of MODEL 9 1 H1 ASP 1 1HT ASP 1 15.524 1.749 -3.601 2 H2 ASP 1 2HT ASP 1 14.421 1.857 -2.338 3 H3 ASP 1 3HT ASP 1 14.941 3.260 -3.144 4 HA ASP 1 HA ASP 1 12.761 2.761 -3.940 5 HB2 ASP 1 2HB ASP 1 13.150 2.377 -6.210 6 HB3 ASP 1 1HB ASP 1 14.401 3.533 -5.659 7 H SER 2 H SER 2 14.823 0.009 -3.660 8 HA SER 2 HA SER 2 13.412 -1.908 -4.989 9 HB2 SER 2 2HB SER 2 15.002 -2.248 -2.449 10 HB3 SER 2 1HB SER 2 14.524 -3.570 -3.516 11 HG SER 2 HG SER 2 15.678 -2.594 -5.167 12 H TRP 3 H TRP 3 12.422 -0.408 -2.321 13 HA TRP 3 HA TRP 3 10.510 -2.278 -1.290 14 HB2 TRP 3 2HB TRP 3 9.355 -0.247 -0.264 15 HB3 TRP 3 1HB TRP 3 11.022 -0.502 0.213 16 HD1 TRP 3 HD TRP 3 12.552 1.578 0.030 17 HE1 TRP 3 1HE TRP 3 12.393 3.894 -1.086 18 HE3 TRP 3 3HE TRP 3 8.181 0.998 -2.518 19 HZ2 TRP 3 2HZ TRP 3 10.684 5.283 -2.775 20 HZ3 TRP 3 3HZ TRP 3 7.357 2.824 -3.845 21 HH2 TRP 3 HH TRP 3 8.577 4.963 -3.991 22 H MET 4 H MET 4 10.569 -0.594 -4.171 23 HA MET 4 HA MET 4 7.823 -0.056 -4.563 24 HB2 MET 4 2HB MET 4 8.360 0.243 -6.918 25 HB3 MET 4 1HB MET 4 9.594 0.998 -5.926 26 HG2 MET 4 2HG MET 4 11.062 -0.931 -6.307 27 HG3 MET 4 1HG MET 4 9.801 -1.657 -7.303 28 HE1 MET 4 3HE MET 4 11.546 -1.993 -9.231 29 HE2 MET 4 1HE MET 4 12.806 -1.246 -8.249 30 HE3 MET 4 2HE MET 4 12.535 -0.698 -9.906 31 H GLU 5 H GLU 5 9.746 -2.922 -4.905 32 HA GLU 5 HA GLU 5 7.660 -4.289 -6.407 33 HB2 GLU 5 2HB GLU 5 10.448 -5.204 -5.648 34 HB3 GLU 5 1HB GLU 5 9.333 -6.087 -6.679 35 HG2 GLU 5 2HG GLU 5 9.385 -4.148 -8.265 36 HG3 GLU 5 1HG GLU 5 10.628 -3.436 -7.242 37 H GLU 6 H GLU 6 7.653 -3.490 -3.484 38 HA GLU 6 HA GLU 6 7.632 -5.969 -2.053 39 HB2 GLU 6 2HB GLU 6 8.229 -3.438 -1.258 40 HB3 GLU 6 1HB GLU 6 6.497 -3.432 -1.140 41 HG2 GLU 6 2HG GLU 6 6.398 -5.094 0.499 42 HG3 GLU 6 1HG GLU 6 8.113 -5.466 0.327 43 H VAL 7 H VAL 7 5.822 -6.693 -1.275 44 HA VAL 7 HA VAL 7 3.212 -5.682 -2.043 45 HB VAL 7 HB VAL 7 3.634 -7.140 -3.960 46 HG11 VAL 7 1HG1 VAL 7 4.178 -9.350 -1.997 47 HG12 VAL 7 2HG1 VAL 7 5.347 -8.571 -3.066 48 HG13 VAL 7 3HG1 VAL 7 4.042 -9.545 -3.745 49 HG21 VAL 7 3HG2 VAL 7 1.333 -7.156 -3.143 50 HG22 VAL 7 1HG2 VAL 7 1.710 -8.480 -2.048 51 HG23 VAL 7 2HG2 VAL 7 1.754 -8.741 -3.789 52 H ILE 8 H ILE 8 1.854 -5.805 -0.457 53 HA ILE 8 HA ILE 8 2.449 -7.751 1.633 54 HB ILE 8 HB ILE 8 1.980 -6.208 3.410 55 HG12 ILE 8 2HG1 ILE 8 0.399 -4.662 2.204 56 HG13 ILE 8 1HG1 ILE 8 1.596 -3.825 3.175 57 HG21 ILE 8 1HG2 ILE 8 3.931 -4.742 3.298 58 HG22 ILE 8 2HG2 ILE 8 4.085 -5.124 1.583 59 HG23 ILE 8 3HG2 ILE 8 4.260 -6.399 2.788 60 HD11 ILE 8 3HD1 ILE 8 1.594 -4.128 0.174 61 HD12 ILE 8 1HD1 ILE 8 2.874 -3.354 1.115 62 HD13 ILE 8 2HD1 ILE 8 1.254 -2.670 1.107 63 H LYS 9 H LYS 9 0.684 -8.213 3.067 64 HA LYS 9 HA LYS 9 -1.909 -7.830 1.750 65 HB2 LYS 9 2HB LYS 9 -1.029 -10.201 1.732 66 HB3 LYS 9 1HB LYS 9 -1.089 -10.174 3.485 67 HG2 LYS 9 2HG LYS 9 -3.531 -9.807 3.367 68 HG3 LYS 9 1HG LYS 9 -3.436 -9.924 1.609 69 HD2 LYS 9 2HD LYS 9 -2.425 -12.194 1.895 70 HD3 LYS 9 1HD LYS 9 -2.757 -12.063 3.621 71 HE2 LYS 9 2HE LYS 9 -4.801 -11.986 1.403 72 HE3 LYS 9 1HE LYS 9 -4.482 -13.349 2.467 73 HZ1 LYS 9 3HZ LYS 9 -6.421 -12.143 3.171 74 HZ2 LYS 9 1HZ LYS 9 -5.557 -10.699 3.330 75 HZ3 LYS 9 2HZ LYS 9 -5.231 -12.018 4.335 76 H LEU 10 H LEU 10 -1.948 -5.896 2.960 77 HA LEU 10 HA LEU 10 -2.556 -6.227 5.819 78 HB2 LEU 10 2HB LEU 10 -1.241 -4.003 4.323 79 HB3 LEU 10 1HB LEU 10 -2.216 -3.626 5.712 80 HG LEU 10 HG LEU 10 -0.796 -4.887 7.164 81 HD11 LEU 10 1HD1 LEU 10 0.810 -5.504 4.702 82 HD12 LEU 10 2HD1 LEU 10 -0.111 -6.682 5.639 83 HD13 LEU 10 3HD1 LEU 10 1.317 -5.906 6.341 84 HD21 LEU 10 3HD2 LEU 10 0.870 -3.154 5.364 85 HD22 LEU 10 1HD2 LEU 10 1.216 -3.554 7.040 86 HD23 LEU 10 2HD2 LEU 10 -0.191 -2.558 6.634 87 H CYS 11 H CYS 11 -3.944 -4.324 6.484 88 HA CYS 11 HA CYS 11 -6.007 -3.754 4.550 89 HB2 CYS 11 2HB CYS 11 -6.462 -5.972 5.128 90 HB3 CYS 11 1HB CYS 11 -6.467 -5.643 6.865 91 H GLY 12 H GLY 12 -7.661 -2.555 5.526 92 HA2 GLY 12 2HA GLY 12 -8.362 -0.567 6.620 93 HA3 GLY 12 1HA GLY 12 -7.927 -1.489 8.032 94 H ARG 13 H ARG 13 -6.844 -0.418 9.305 95 HA ARG 13 HA ARG 13 -5.543 2.051 8.773 96 HB2 ARG 13 2HB ARG 13 -5.479 0.313 11.231 97 HB3 ARG 13 1HB ARG 13 -4.851 1.953 11.148 98 HG2 ARG 13 2HG ARG 13 -7.039 2.827 10.714 99 HG3 ARG 13 1HG ARG 13 -7.704 1.199 10.594 100 HD2 ARG 13 2HD ARG 13 -8.243 2.145 12.734 101 HD3 ARG 13 1HD ARG 13 -7.111 0.814 12.946 102 HE ARG 13 HE ARG 13 -5.694 3.240 12.785 103 HH11 ARG 13 1HH1 ARG 13 -7.778 1.426 14.987 104 HH12 ARG 13 2HH1 ARG 13 -7.211 2.214 16.384 105 HH21 ARG 13 1HH2 ARG 13 -4.974 4.359 14.694 106 HH22 ARG 13 2HH2 ARG 13 -5.612 3.929 16.219 107 H GLU 14 H GLU 14 -4.440 -1.244 8.824 108 HA GLU 14 HA GLU 14 -1.712 -0.550 9.156 109 HB2 GLU 14 2HB GLU 14 -3.028 -3.031 8.121 110 HB3 GLU 14 1HB GLU 14 -1.292 -2.853 8.291 111 HG2 GLU 14 2HG GLU 14 -1.750 -2.313 10.728 112 HG3 GLU 14 1HG GLU 14 -3.392 -2.884 10.428 113 H LEU 15 H LEU 15 -3.868 -0.925 6.488 114 HA LEU 15 HA LEU 15 -1.948 -0.679 4.399 115 HB2 LEU 15 2HB LEU 15 -4.787 0.331 4.455 116 HB3 LEU 15 1HB LEU 15 -3.769 0.333 3.033 117 HG LEU 15 HG LEU 15 -4.749 -2.085 4.516 118 HD11 LEU 15 1HD1 LEU 15 -6.479 -0.927 3.235 119 HD12 LEU 15 2HD1 LEU 15 -6.053 -2.465 2.483 120 HD13 LEU 15 3HD1 LEU 15 -5.442 -0.953 1.809 121 HD21 LEU 15 3HD2 LEU 15 -3.776 -3.353 2.771 122 HD22 LEU 15 1HD2 LEU 15 -2.529 -2.409 3.559 123 HD23 LEU 15 2HD2 LEU 15 -3.140 -1.904 1.970 124 H VAL 16 H VAL 16 -3.732 1.664 6.267 125 HA VAL 16 HA VAL 16 -2.726 3.996 5.005 126 HB VAL 16 HB VAL 16 -3.487 3.720 7.932 127 HG11 VAL 16 1HG1 VAL 16 -4.081 6.093 7.785 128 HG12 VAL 16 2HG1 VAL 16 -3.510 6.125 6.117 129 HG13 VAL 16 3HG1 VAL 16 -2.375 5.819 7.430 130 HG21 VAL 16 3HG2 VAL 16 -5.756 4.379 7.266 131 HG22 VAL 16 1HG2 VAL 16 -5.278 2.843 6.542 132 HG23 VAL 16 2HG2 VAL 16 -5.268 4.313 5.571 133 H ARG 17 H ARG 17 -1.536 2.132 7.719 134 HA ARG 17 HA ARG 17 0.696 3.634 8.498 135 HB2 ARG 17 2HB ARG 17 -0.312 1.414 9.424 136 HB3 ARG 17 1HB ARG 17 0.710 0.667 8.261 137 HG2 ARG 17 2HG ARG 17 2.721 1.610 9.201 138 HG3 ARG 17 1HG ARG 17 1.778 2.452 10.433 139 HD2 ARG 17 2HD ARG 17 0.996 0.299 11.297 140 HD3 ARG 17 1HD ARG 17 1.935 -0.538 10.061 141 HE ARG 17 HE ARG 17 3.589 1.177 11.589 142 HH11 ARG 17 1HH1 ARG 17 1.944 -1.947 11.787 143 HH12 ARG 17 2HH1 ARG 17 3.024 -2.614 12.909 144 HH21 ARG 17 1HH2 ARG 17 5.063 0.285 13.125 145 HH22 ARG 17 2HH2 ARG 17 4.858 -1.302 13.707 146 H ALA 18 H ALA 18 0.457 0.974 6.340 147 HA ALA 18 HA ALA 18 3.073 0.969 5.263 148 HB1 ALA 18 1HB ALA 18 2.215 -0.465 3.479 149 HB2 ALA 18 2HB ALA 18 0.564 -0.018 3.907 150 HB3 ALA 18 3HB ALA 18 1.549 -0.939 5.041 151 H GLN 19 H GLN 19 0.179 2.596 4.124 152 HA GLN 19 HA GLN 19 1.158 3.688 1.745 153 HB2 GLN 19 2HB GLN 19 -0.952 4.365 3.690 154 HB3 GLN 19 1HB GLN 19 -0.697 5.499 2.404 155 HG2 GLN 19 2HG GLN 19 -1.150 3.726 0.794 156 HG3 GLN 19 1HG GLN 19 -1.300 2.554 2.112 157 HE21 GLN 19 1HE2 GLN 19 -3.237 3.232 0.097 158 HE22 GLN 19 2HE2 GLN 19 -4.610 3.823 1.000 159 H ILE 20 H ILE 20 0.829 5.144 4.946 160 HA ILE 20 HA ILE 20 2.253 7.515 4.438 161 HB ILE 20 HB ILE 20 1.982 6.027 7.087 162 HG12 ILE 20 2HG1 ILE 20 0.389 8.351 5.968 163 HG13 ILE 20 1HG1 ILE 20 -0.162 6.683 6.035 164 HG21 ILE 20 1HG2 ILE 20 3.840 7.621 7.190 165 HG22 ILE 20 2HG2 ILE 20 2.488 8.175 8.178 166 HG23 ILE 20 3HG2 ILE 20 2.784 8.904 6.600 167 HD11 ILE 20 3HD1 ILE 20 -1.137 8.016 7.819 168 HD12 ILE 20 1HD1 ILE 20 0.475 8.432 8.405 169 HD13 ILE 20 2HD1 ILE 20 -0.087 6.761 8.478 170 H ALA 21 H ALA 21 3.347 4.309 5.114 171 HA ALA 21 HA ALA 21 6.094 4.979 5.568 172 HB1 ALA 21 1HB ALA 21 4.904 2.328 4.802 173 HB2 ALA 21 2HB ALA 21 5.040 2.928 6.448 174 HB3 ALA 21 3HB ALA 21 6.498 2.601 5.507 175 H ILE 22 H ILE 22 4.150 4.475 2.760 176 HA ILE 22 HA ILE 22 6.545 4.202 1.168 177 HB ILE 22 HB ILE 22 4.361 2.852 0.623 178 HG12 ILE 22 2HG1 ILE 22 6.283 2.988 -0.960 179 HG13 ILE 22 1HG1 ILE 22 4.732 2.815 -1.762 180 HG21 ILE 22 1HG2 ILE 22 3.448 5.412 -0.607 181 HG22 ILE 22 2HG2 ILE 22 2.748 4.606 0.791 182 HG23 ILE 22 3HG2 ILE 22 2.692 3.826 -0.794 183 HD11 ILE 22 3HD1 ILE 22 6.335 5.352 -1.496 184 HD12 ILE 22 1HD1 ILE 22 4.765 5.217 -2.285 185 HD13 ILE 22 2HD1 ILE 22 6.160 4.369 -2.951 186 H CYS 23 H CYS 23 3.916 6.520 1.592 187 HA CYS 23 HA CYS 23 4.984 8.392 -0.283 188 HB2 CYS 23 2HB CYS 23 2.857 8.490 1.796 189 HB3 CYS 23 1HB CYS 23 3.294 9.887 0.831 190 H GLY 24 H GLY 24 5.363 7.864 3.047 191 HA2 GLY 24 2HA GLY 24 6.793 10.424 3.340 192 HA3 GLY 24 1HA GLY 24 6.128 9.493 4.672 193 H MET 25 H MET 25 8.082 8.194 2.030 194 HA MET 25 HA MET 25 10.370 8.120 3.781 195 HB2 MET 25 2HB MET 25 9.159 5.998 4.250 196 HB3 MET 25 1HB MET 25 9.305 5.568 2.553 197 HG2 MET 25 2HG MET 25 10.981 4.426 3.915 198 HG3 MET 25 1HG MET 25 11.725 5.521 2.751 199 HE1 MET 25 3HE MET 25 13.987 5.215 4.245 200 HE2 MET 25 1HE MET 25 13.124 4.253 5.443 201 HE3 MET 25 2HE MET 25 14.078 5.647 5.953 202 H SER 26 H SER 26 10.846 9.691 2.218 203 HA SER 26 HA SER 26 11.659 8.625 -0.374 204 HB2 SER 26 2HB SER 26 11.401 11.486 0.563 205 HB3 SER 26 1HB SER 26 11.692 10.927 -1.087 206 HG SER 26 HG SER 26 9.684 9.739 -0.850 207 H THR 27 H THR 27 12.983 8.418 2.342 208 HA THR 27 HA THR 27 15.424 9.863 2.191 209 HB THR 27 HB THR 27 14.925 7.306 3.717 210 HG1 THR 27 1HG THR 27 13.854 9.856 3.981 211 HG21 THR 27 3HG2 THR 27 16.475 8.303 5.357 212 HG22 THR 27 1HG2 THR 27 16.637 9.734 4.337 213 HG23 THR 27 2HG2 THR 27 17.240 8.177 3.772 214 H TRP 28 H TRP 28 14.220 7.210 0.795 215 HA TRP 28 HA TRP 28 16.797 6.074 -0.006 216 HB2 TRP 28 2HB TRP 28 14.006 5.132 -0.721 217 HB3 TRP 28 1HB TRP 28 15.495 4.297 -1.131 218 HD1 TRP 28 HD TRP 28 12.788 3.763 1.015 219 HE1 TRP 28 1HE TRP 28 13.397 2.518 3.172 220 HE3 TRP 28 3HE TRP 28 17.854 4.552 1.014 221 HZ2 TRP 28 2HZ TRP 28 15.701 1.971 4.698 222 HZ3 TRP 28 3HZ TRP 28 19.175 3.639 2.870 223 HH2 TRP 28 HH TRP 28 18.123 2.377 4.673 224 H SER 29 H SER 29 17.743 6.821 -1.757 225 HA SER 29 HA SER 29 16.256 7.542 -4.110 226 HB2 SER 29 2HB SER 29 18.013 9.562 -2.703 227 HB3 SER 29 1HB SER 29 17.228 9.774 -4.270 228 HG SER 29 HG SER 29 15.532 8.999 -2.302 229 HN1 NH2 30 HT1 SER 29 17.368 5.895 -5.078 230 HN2 NH2 30 HT2 SER 29 19.070 5.909 -5.369 231 HA PCA 1 HA PCA 1 -14.505 4.597 -6.605 232 HB2 PCA 1 2HB PCA 1 -13.579 4.628 -3.882 233 HB3 PCA 1 1HB PCA 1 -14.656 5.805 -4.690 234 HG2 PCA 1 2HG PCA 1 -15.348 3.903 -2.687 235 HG3 PCA 1 1HG PCA 1 -16.485 4.913 -3.641 236 H LEU 2 H LEU 2 -12.228 4.835 -6.732 237 HA LEU 2 HA LEU 2 -10.802 2.304 -6.919 238 HB2 LEU 2 2HB LEU 2 -9.836 5.124 -7.331 239 HB3 LEU 2 1HB LEU 2 -8.921 3.661 -7.641 240 HG LEU 2 HG LEU 2 -11.433 4.458 -9.115 241 HD11 LEU 2 1HD1 LEU 2 -8.539 4.558 -9.960 242 HD12 LEU 2 2HD1 LEU 2 -9.566 5.949 -9.615 243 HD13 LEU 2 3HD1 LEU 2 -9.928 4.904 -10.989 244 HD21 LEU 2 3HD2 LEU 2 -9.463 2.211 -9.562 245 HD22 LEU 2 1HD2 LEU 2 -10.796 2.634 -10.636 246 HD23 LEU 2 2HD2 LEU 2 -11.131 2.042 -9.014 247 H TYR 3 H TYR 3 -10.983 4.642 -4.485 248 HA TYR 3 HA TYR 3 -8.593 3.601 -3.396 249 HB2 TYR 3 2HB TYR 3 -9.370 5.896 -2.847 250 HB3 TYR 3 1HB TYR 3 -10.686 5.164 -1.905 251 HD1 TYR 3 1HD TYR 3 -7.103 4.689 -2.397 252 HD2 TYR 3 2HD TYR 3 -10.300 4.956 0.352 253 HE1 TYR 3 1HE TYR 3 -5.575 4.252 -0.684 254 HE2 TYR 3 2HE TYR 3 -8.762 4.532 2.194 255 HH TYR 3 HH TYR 3 -6.608 3.578 2.588 256 H SER 4 H SER 4 -12.028 3.089 -2.772 257 HA SER 4 HA SER 4 -11.787 1.275 -0.693 258 HB2 SER 4 2HB SER 4 -13.889 1.349 -2.850 259 HB3 SER 4 1HB SER 4 -14.060 0.786 -1.180 260 HG SER 4 HG SER 4 -13.976 2.809 -0.449 261 H ALA 5 H ALA 5 -11.699 0.878 -4.200 262 HA ALA 5 HA ALA 5 -11.721 -1.912 -4.342 263 HB1 ALA 5 1HB ALA 5 -10.360 0.049 -6.191 264 HB2 ALA 5 2HB ALA 5 -12.043 -0.460 -6.292 265 HB3 ALA 5 3HB ALA 5 -10.751 -1.629 -6.574 266 H LEU 6 H LEU 6 -8.991 0.364 -4.070 267 HA LEU 6 HA LEU 6 -6.888 -1.510 -4.066 268 HB2 LEU 6 2HB LEU 6 -6.456 0.901 -4.230 269 HB3 LEU 6 1HB LEU 6 -7.081 1.140 -2.609 270 HG LEU 6 HG LEU 6 -5.215 -0.408 -1.825 271 HD11 LEU 6 1HD1 LEU 6 -4.597 -1.396 -3.887 272 HD12 LEU 6 2HD1 LEU 6 -3.220 -0.518 -3.221 273 HD13 LEU 6 3HD1 LEU 6 -4.142 0.169 -4.558 274 HD21 LEU 6 3HD2 LEU 6 -3.558 1.383 -1.726 275 HD22 LEU 6 1HD2 LEU 6 -5.177 1.999 -1.411 276 HD23 LEU 6 2HD2 LEU 6 -4.426 2.265 -2.985 277 H ALA 7 H ALA 7 -8.682 -0.019 -1.441 278 HA ALA 7 HA ALA 7 -7.413 -1.148 0.735 279 HB1 ALA 7 1HB ALA 7 -9.026 0.693 0.884 280 HB2 ALA 7 2HB ALA 7 -9.410 -0.601 2.017 281 HB3 ALA 7 3HB ALA 7 -10.333 -0.432 0.524 282 H ASN 8 H ASN 8 -10.202 -2.393 -1.032 283 HA ASN 8 HA ASN 8 -10.447 -4.739 0.553 284 HB2 ASN 8 2HB ASN 8 -11.501 -4.117 -2.209 285 HB3 ASN 8 1HB ASN 8 -11.862 -5.604 -1.343 286 HD21 ASN 8 1HD2 ASN 8 -13.653 -3.515 -2.263 287 HD22 ASN 8 2HD2 ASN 8 -14.465 -2.934 -0.863 288 H LYS 9 H LYS 9 -8.748 -4.000 -2.406 289 HA LYS 9 HA LYS 9 -8.124 -6.655 -3.175 290 HB2 LYS 9 2HB LYS 9 -7.974 -4.554 -4.598 291 HB3 LYS 9 1HB LYS 9 -6.541 -4.136 -3.698 292 HG2 LYS 9 2HG LYS 9 -5.933 -5.023 -5.836 293 HG3 LYS 9 1HG LYS 9 -5.429 -6.156 -4.580 294 HD2 LYS 9 2HD LYS 9 -7.098 -7.689 -5.135 295 HD3 LYS 9 1HD LYS 9 -8.069 -6.472 -5.966 296 HE2 LYS 9 2HE LYS 9 -7.031 -7.978 -7.571 297 HE3 LYS 9 1HE LYS 9 -6.411 -6.344 -7.740 298 HZ1 LYS 9 3HZ LYS 9 -5.004 -8.679 -6.537 299 HZ2 LYS 9 1HZ LYS 9 -4.399 -7.092 -6.468 300 HZ3 LYS 9 2HZ LYS 9 -4.641 -7.847 -7.930 301 H CYS 10 H CYS 10 -6.202 -4.279 -1.390 302 HA CYS 10 HA CYS 10 -4.001 -6.017 -0.912 303 HB2 CYS 10 2HB CYS 10 -4.944 -3.759 0.844 304 HB3 CYS 10 1HB CYS 10 -3.307 -4.380 0.687 305 H CYS 11 H CYS 11 -6.982 -5.375 0.810 306 HA CYS 11 HA CYS 11 -6.277 -6.727 3.185 307 HB2 CYS 11 2HB CYS 11 -8.046 -4.971 2.950 308 HB3 CYS 11 1HB CYS 11 -9.030 -6.135 2.082 309 H HIS 12 H HIS 12 -7.950 -7.676 0.195 310 HA HIS 12 HA HIS 12 -8.673 -10.228 1.263 311 HB2 HIS 12 2HB HIS 12 -8.925 -8.952 -1.433 312 HB3 HIS 12 1HB HIS 12 -9.392 -10.618 -1.158 313 HD1 HIS 12 1HD HIS 12 -11.911 -9.725 -1.781 314 HD2 HIS 12 2HD HIS 12 -10.242 -8.244 1.701 315 HE1 HIS 12 1HE HIS 12 -13.795 -8.638 -0.527 316 H VAL 13 H VAL 13 -6.512 -9.122 -1.264 317 HA VAL 13 HA VAL 13 -5.143 -11.692 -0.979 318 HB VAL 13 HB VAL 13 -4.431 -11.456 -3.366 319 HG11 VAL 13 1HG1 VAL 13 -6.239 -12.990 -2.699 320 HG12 VAL 13 2HG1 VAL 13 -6.644 -12.256 -4.257 321 HG13 VAL 13 3HG1 VAL 13 -7.391 -11.659 -2.773 322 HG21 VAL 13 3HG2 VAL 13 -5.844 -10.067 -4.860 323 HG22 VAL 13 1HG2 VAL 13 -4.882 -9.099 -3.741 324 HG23 VAL 13 2HG2 VAL 13 -6.598 -9.355 -3.434 325 H GLY 14 H GLY 14 -4.582 -8.376 -1.953 326 HA2 GLY 14 2HA GLY 14 -2.682 -7.462 -0.384 327 HA3 GLY 14 1HA GLY 14 -1.758 -8.650 -1.249 328 H CYS 15 H CYS 15 -0.909 -6.173 -1.457 329 HA CYS 15 HA CYS 15 -1.289 -5.704 -4.263 330 HB2 CYS 15 2HB CYS 15 -1.704 -3.286 -3.927 331 HB3 CYS 15 1HB CYS 15 -3.034 -4.300 -3.390 332 H THR 16 H THR 16 0.295 -4.127 -5.029 333 HA THR 16 HA THR 16 2.762 -4.555 -3.694 334 HB THR 16 HB THR 16 3.680 -3.282 -5.691 335 HG1 THR 16 1HG THR 16 1.151 -3.728 -6.871 336 HG21 THR 16 3HG2 THR 16 3.689 -5.713 -5.622 337 HG22 THR 16 1HG2 THR 16 3.315 -5.154 -7.251 338 HG23 THR 16 2HG2 THR 16 2.025 -5.754 -6.206 339 H LYS 17 H LYS 17 4.120 -2.915 -3.193 340 HA LYS 17 HA LYS 17 2.985 -0.862 -1.549 341 HB2 LYS 17 2HB LYS 17 5.208 -2.112 -1.463 342 HB3 LYS 17 1HB LYS 17 5.879 -0.905 -2.514 343 HG2 LYS 17 2HG LYS 17 6.425 -0.413 -0.265 344 HG3 LYS 17 1HG LYS 17 5.248 0.810 -0.789 345 HD2 LYS 17 2HD LYS 17 3.488 -0.301 0.403 346 HD3 LYS 17 1HD LYS 17 4.506 -1.709 0.704 347 HE2 LYS 17 2HE LYS 17 4.936 1.059 1.821 348 HE3 LYS 17 1HE LYS 17 4.254 -0.311 2.695 349 HZ1 LYS 17 3HZ LYS 17 7.032 -0.023 1.689 350 HZ2 LYS 17 1HZ LYS 17 6.395 -1.500 2.228 351 HZ3 LYS 17 2HZ LYS 17 6.506 -0.186 3.267 352 H ARG 18 H ARG 18 4.171 -0.811 -4.804 353 HA ARG 18 HA ARG 18 3.862 2.027 -5.055 354 HB2 ARG 18 2HB ARG 18 4.100 -0.105 -7.163 355 HB3 ARG 18 1HB ARG 18 3.974 1.610 -7.517 356 HG2 ARG 18 2HG ARG 18 6.165 0.251 -5.969 357 HG3 ARG 18 1HG ARG 18 6.275 0.869 -7.616 358 HD2 ARG 18 2HD ARG 18 5.769 2.546 -5.142 359 HD3 ARG 18 1HD ARG 18 7.305 2.389 -5.981 360 HE ARG 18 HE ARG 18 5.431 3.216 -7.835 361 HH11 ARG 18 1HH1 ARG 18 6.865 4.570 -4.856 362 HH12 ARG 18 2HH1 ARG 18 6.874 6.169 -5.441 363 HH21 ARG 18 1HH2 ARG 18 5.417 5.453 -8.567 364 HH22 ARG 18 2HH2 ARG 18 6.051 6.675 -7.547 365 H SER 19 H SER 19 1.738 -0.600 -5.160 366 HA SER 19 HA SER 19 -0.291 0.661 -6.697 367 HB2 SER 19 2HB SER 19 -0.027 -1.834 -6.431 368 HB3 SER 19 1HB SER 19 -0.554 -1.681 -4.768 369 HG SER 19 HG SER 19 -1.944 -1.267 -7.160 370 H LEU 20 H LEU 20 0.446 0.271 -3.222 371 HA LEU 20 HA LEU 20 -1.813 1.905 -2.485 372 HB2 LEU 20 2HB LEU 20 0.609 1.776 -0.629 373 HB3 LEU 20 1HB LEU 20 -1.026 2.107 -0.298 374 HG LEU 20 HG LEU 20 -1.581 -0.304 -0.854 375 HD11 LEU 20 1HD1 LEU 20 0.185 -1.889 -0.521 376 HD12 LEU 20 2HD1 LEU 20 1.353 -0.582 -0.355 377 HD13 LEU 20 3HD1 LEU 20 0.553 -0.862 -1.906 378 HD21 LEU 20 3HD2 LEU 20 -1.667 0.598 1.390 379 HD22 LEU 20 1HD2 LEU 20 0.083 0.390 1.543 380 HD23 LEU 20 2HD2 LEU 20 -0.961 -1.022 1.399 381 H ALA 21 H ALA 21 1.408 2.445 -3.296 382 HA ALA 21 HA ALA 21 1.707 5.157 -2.628 383 HB1 ALA 21 1HB ALA 21 3.467 5.300 -4.251 384 HB2 ALA 21 2HB ALA 21 2.864 3.866 -5.073 385 HB3 ALA 21 3HB ALA 21 3.542 3.728 -3.448 386 H ARG 22 H ARG 22 0.108 3.767 -5.432 387 HA ARG 22 HA ARG 22 -0.134 6.355 -6.684 388 HB2 ARG 22 2HB ARG 22 -1.455 5.159 -8.441 389 HB3 ARG 22 1HB ARG 22 0.188 4.577 -8.228 390 HG2 ARG 22 2HG ARG 22 -0.660 2.692 -6.945 391 HG3 ARG 22 1HG ARG 22 -2.304 3.292 -7.144 392 HD2 ARG 22 2HD ARG 22 -0.476 2.540 -9.419 393 HD3 ARG 22 1HD ARG 22 -1.692 1.469 -8.725 394 HE ARG 22 HE ARG 22 -2.909 3.881 -9.422 395 HH11 ARG 22 1HH1 ARG 22 -1.368 1.149 -11.085 396 HH12 ARG 22 2HH1 ARG 22 -2.416 1.192 -12.418 397 HH21 ARG 22 1HH2 ARG 22 -4.317 3.961 -11.246 398 HH22 ARG 22 2HH2 ARG 22 -4.141 2.855 -12.533 399 H PHE 23 H PHE 23 -1.652 5.231 -4.160 400 HA PHE 23 HA PHE 23 -4.020 6.829 -4.811 401 HB2 PHE 23 2HB PHE 23 -4.030 4.257 -3.223 402 HB3 PHE 23 1HB PHE 23 -5.385 5.378 -3.289 403 HD1 PHE 23 1HD PHE 23 -6.442 5.848 -5.532 404 HD2 PHE 23 2HD PHE 23 -3.748 2.619 -4.906 405 HE1 PHE 23 1HE PHE 23 -7.268 4.769 -7.567 406 HE2 PHE 23 2HE PHE 23 -4.577 1.524 -6.940 407 HZ PHE 23 HZ PHE 23 -6.340 2.597 -8.280 408 H CYS 24 H CYS 24 -2.313 5.350 -2.217 409 HA CYS 24 HA CYS 24 -1.672 5.987 -0.131 410 HB2 CYS 24 2HB CYS 24 -0.193 7.246 -1.772 411 HB3 CYS 24 1HB CYS 24 -1.185 8.656 -1.442 412 HN1 NH2 25 HT1 CYS 24 -3.711 5.864 0.888 413 HN2 NH2 25 HT2 CYS 24 -4.572 7.278 1.363 Start of MODEL 10 1 H1 ASP 1 1HT ASP 1 11.043 -4.952 1.002 2 H2 ASP 1 2HT ASP 1 11.618 -5.116 2.576 3 H3 ASP 1 3HT ASP 1 12.666 -5.398 1.287 4 HA ASP 1 HA ASP 1 11.424 -2.822 2.069 5 HB2 ASP 1 2HB ASP 1 13.677 -2.111 2.473 6 HB3 ASP 1 1HB ASP 1 13.303 -3.494 3.521 7 H SER 2 H SER 2 13.211 -4.549 -0.376 8 HA SER 2 HA SER 2 13.651 -2.228 -1.930 9 HB2 SER 2 2HB SER 2 15.057 -4.012 -2.272 10 HB3 SER 2 1HB SER 2 13.749 -5.145 -2.726 11 HG SER 2 HG SER 2 14.687 -4.438 -4.580 12 H TRP 3 H TRP 3 12.542 -1.307 -3.235 13 HA TRP 3 HA TRP 3 9.729 -1.424 -2.980 14 HB2 TRP 3 2HB TRP 3 11.340 0.282 -4.861 15 HB3 TRP 3 1HB TRP 3 9.658 0.543 -4.416 16 HD1 TRP 3 HD TRP 3 13.047 1.659 -3.475 17 HE1 TRP 3 1HE TRP 3 13.047 2.761 -1.185 18 HE3 TRP 3 3HE TRP 3 8.406 0.180 -1.737 19 HZ2 TRP 3 2HZ TRP 3 11.417 3.000 1.052 20 HZ3 TRP 3 3HZ TRP 3 7.768 0.882 0.510 21 HH2 TRP 3 HH TRP 3 9.230 2.271 1.874 22 H MET 4 H MET 4 11.760 -2.799 -5.365 23 HA MET 4 HA MET 4 9.636 -3.004 -7.330 24 HB2 MET 4 2HB MET 4 12.419 -4.185 -7.319 25 HB3 MET 4 1HB MET 4 11.283 -4.324 -8.651 26 HG2 MET 4 2HG MET 4 11.288 -1.882 -8.886 27 HG3 MET 4 1HG MET 4 12.457 -1.770 -7.576 28 HE1 MET 4 3HE MET 4 12.877 -0.445 -10.442 29 HE2 MET 4 1HE MET 4 14.564 -0.848 -10.763 30 HE3 MET 4 2HE MET 4 14.070 -0.334 -9.150 31 H GLU 5 H GLU 5 10.427 -4.669 -4.549 32 HA GLU 5 HA GLU 5 9.219 -7.177 -5.559 33 HB2 GLU 5 2HB GLU 5 11.383 -6.862 -3.476 34 HB3 GLU 5 1HB GLU 5 10.680 -8.378 -4.012 35 HG2 GLU 5 2HG GLU 5 11.669 -8.121 -6.191 36 HG3 GLU 5 1HG GLU 5 12.240 -6.505 -5.776 37 H GLU 6 H GLU 6 8.168 -4.739 -4.053 38 HA GLU 6 HA GLU 6 7.546 -5.918 -1.473 39 HB2 GLU 6 2HB GLU 6 7.043 -3.146 -2.516 40 HB3 GLU 6 1HB GLU 6 6.569 -3.791 -0.947 41 HG2 GLU 6 2HG GLU 6 9.407 -3.575 -1.889 42 HG3 GLU 6 1HG GLU 6 8.588 -2.349 -0.923 43 H VAL 7 H VAL 7 5.844 -6.970 -1.314 44 HA VAL 7 HA VAL 7 3.326 -5.973 -2.335 45 HB VAL 7 HB VAL 7 3.915 -7.695 -4.013 46 HG11 VAL 7 1HG1 VAL 7 5.439 -9.067 -2.734 47 HG12 VAL 7 2HG1 VAL 7 4.142 -10.061 -3.405 48 HG13 VAL 7 3HG1 VAL 7 4.118 -9.613 -1.701 49 HG21 VAL 7 3HG2 VAL 7 1.922 -9.156 -3.803 50 HG22 VAL 7 1HG2 VAL 7 1.550 -7.467 -3.473 51 HG23 VAL 7 2HG2 VAL 7 1.703 -8.593 -2.145 52 H ILE 8 H ILE 8 1.773 -6.076 -0.846 53 HA ILE 8 HA ILE 8 2.369 -7.675 1.531 54 HB ILE 8 HB ILE 8 1.698 -5.873 3.018 55 HG12 ILE 8 2HG1 ILE 8 1.437 -4.249 0.497 56 HG13 ILE 8 1HG1 ILE 8 0.139 -4.719 1.566 57 HG21 ILE 8 1HG2 ILE 8 3.618 -4.372 2.776 58 HG22 ILE 8 2HG2 ILE 8 3.868 -4.964 1.135 59 HG23 ILE 8 3HG2 ILE 8 4.072 -6.055 2.501 60 HD11 ILE 8 3HD1 ILE 8 2.369 -2.827 2.295 61 HD12 ILE 8 1HD1 ILE 8 1.048 -3.324 3.349 62 HD13 ILE 8 2HD1 ILE 8 0.711 -2.374 1.902 63 H LYS 9 H LYS 9 0.551 -7.839 2.908 64 HA LYS 9 HA LYS 9 -2.044 -7.445 1.679 65 HB2 LYS 9 2HB LYS 9 -1.474 -9.789 1.161 66 HB3 LYS 9 1HB LYS 9 -1.160 -10.092 2.865 67 HG2 LYS 9 2HG LYS 9 -3.467 -9.834 3.421 68 HG3 LYS 9 1HG LYS 9 -3.847 -9.232 1.808 69 HD2 LYS 9 2HD LYS 9 -4.561 -11.545 2.063 70 HD3 LYS 9 1HD LYS 9 -3.284 -11.413 0.862 71 HE2 LYS 9 2HE LYS 9 -1.649 -12.150 2.558 72 HE3 LYS 9 1HE LYS 9 -2.964 -12.331 3.722 73 HZ1 LYS 9 3HZ LYS 9 -2.732 -13.774 1.150 74 HZ2 LYS 9 1HZ LYS 9 -3.960 -13.988 2.263 75 HZ3 LYS 9 2HZ LYS 9 -2.374 -14.447 2.642 76 H LEU 10 H LEU 10 -2.527 -5.904 2.998 77 HA LEU 10 HA LEU 10 -2.698 -6.394 5.894 78 HB2 LEU 10 2HB LEU 10 -1.558 -4.039 4.441 79 HB3 LEU 10 1HB LEU 10 -2.416 -3.784 5.923 80 HG LEU 10 HG LEU 10 -0.862 -5.046 7.185 81 HD11 LEU 10 1HD1 LEU 10 -0.232 -6.776 5.546 82 HD12 LEU 10 2HD1 LEU 10 1.208 -5.999 6.209 83 HD13 LEU 10 3HD1 LEU 10 0.621 -5.556 4.603 84 HD21 LEU 10 3HD2 LEU 10 -0.317 -2.715 6.759 85 HD22 LEU 10 1HD2 LEU 10 0.607 -3.189 5.343 86 HD23 LEU 10 2HD2 LEU 10 1.143 -3.687 6.947 87 H CYS 11 H CYS 11 -4.093 -4.574 6.788 88 HA CYS 11 HA CYS 11 -6.306 -3.935 4.977 89 HB2 CYS 11 2HB CYS 11 -6.843 -5.477 7.508 90 HB3 CYS 11 1HB CYS 11 -8.009 -4.947 6.301 91 H GLY 12 H GLY 12 -7.894 -2.501 6.010 92 HA2 GLY 12 2HA GLY 12 -8.502 -0.648 7.251 93 HA3 GLY 12 1HA GLY 12 -7.923 -1.598 8.596 94 H ARG 13 H ARG 13 -6.831 -0.357 9.806 95 HA ARG 13 HA ARG 13 -5.462 1.999 9.055 96 HB2 ARG 13 2HB ARG 13 -5.025 0.355 11.542 97 HB3 ARG 13 1HB ARG 13 -4.489 2.007 11.291 98 HG2 ARG 13 2HG ARG 13 -7.327 1.051 11.427 99 HG3 ARG 13 1HG ARG 13 -6.453 1.930 12.677 100 HD2 ARG 13 2HD ARG 13 -6.252 3.844 11.163 101 HD3 ARG 13 1HD ARG 13 -7.134 2.948 9.922 102 HE ARG 13 HE ARG 13 -8.366 3.324 12.513 103 HH11 ARG 13 1HH1 ARG 13 -8.280 4.248 9.072 104 HH12 ARG 13 2HH1 ARG 13 -9.841 4.921 9.091 105 HH21 ARG 13 1HH2 ARG 13 -10.511 4.306 12.496 106 HH22 ARG 13 2HH2 ARG 13 -11.103 4.966 11.029 107 H GLU 14 H GLU 14 -4.433 -1.327 9.000 108 HA GLU 14 HA GLU 14 -1.666 -0.802 9.200 109 HB2 GLU 14 2HB GLU 14 -3.254 -3.119 8.124 110 HB3 GLU 14 1HB GLU 14 -1.503 -3.121 8.260 111 HG2 GLU 14 2HG GLU 14 -3.421 -2.767 10.541 112 HG3 GLU 14 1HG GLU 14 -2.593 -4.268 10.121 113 H LEU 15 H LEU 15 -4.016 -1.030 6.656 114 HA LEU 15 HA LEU 15 -2.245 -0.827 4.426 115 HB2 LEU 15 2HB LEU 15 -5.090 0.098 4.744 116 HB3 LEU 15 1HB LEU 15 -4.219 0.088 3.228 117 HG LEU 15 HG LEU 15 -4.778 -2.379 4.843 118 HD11 LEU 15 1HD1 LEU 15 -6.522 -2.794 3.147 119 HD12 LEU 15 2HD1 LEU 15 -6.267 -1.150 2.534 120 HD13 LEU 15 3HD1 LEU 15 -6.864 -1.407 4.172 121 HD21 LEU 15 3HD2 LEU 15 -4.262 -3.517 2.835 122 HD22 LEU 15 1HD2 LEU 15 -2.889 -2.522 3.302 123 HD23 LEU 15 2HD2 LEU 15 -3.946 -1.999 1.973 124 H VAL 16 H VAL 16 -3.989 1.514 6.379 125 HA VAL 16 HA VAL 16 -3.250 3.811 4.899 126 HB VAL 16 HB VAL 16 -3.978 3.690 7.845 127 HG11 VAL 16 1HG1 VAL 16 -3.001 5.824 7.203 128 HG12 VAL 16 2HG1 VAL 16 -4.720 6.004 7.551 129 HG13 VAL 16 3HG1 VAL 16 -4.158 5.971 5.879 130 HG21 VAL 16 3HG2 VAL 16 -6.281 4.162 7.129 131 HG22 VAL 16 1HG2 VAL 16 -5.704 2.618 6.503 132 HG23 VAL 16 2HG2 VAL 16 -5.777 4.026 5.445 133 H ARG 17 H ARG 17 -1.873 2.278 7.725 134 HA ARG 17 HA ARG 17 0.185 4.043 8.388 135 HB2 ARG 17 2HB ARG 17 -0.658 1.750 9.387 136 HB3 ARG 17 1HB ARG 17 0.565 1.101 8.362 137 HG2 ARG 17 2HG ARG 17 1.527 1.314 10.548 138 HG3 ARG 17 1HG ARG 17 2.299 2.472 9.471 139 HD2 ARG 17 2HD ARG 17 0.019 3.187 11.316 140 HD3 ARG 17 1HD ARG 17 1.706 3.316 11.786 141 HE ARG 17 HE ARG 17 1.986 4.953 10.041 142 HH11 ARG 17 1HH1 ARG 17 -1.383 4.306 11.002 143 HH12 ARG 17 2HH1 ARG 17 -1.925 5.852 10.532 144 HH21 ARG 17 1HH2 ARG 17 1.165 7.101 9.469 145 HH22 ARG 17 2HH2 ARG 17 -0.501 7.432 9.671 146 H ALA 18 H ALA 18 0.205 1.244 6.385 147 HA ALA 18 HA ALA 18 2.802 1.392 5.298 148 HB1 ALA 18 1HB ALA 18 0.335 0.186 4.050 149 HB2 ALA 18 2HB ALA 18 1.452 -0.640 5.137 150 HB3 ALA 18 3HB ALA 18 1.989 -0.125 3.539 151 H GLN 19 H GLN 19 -0.270 2.579 4.018 152 HA GLN 19 HA GLN 19 0.571 3.640 1.622 153 HB2 GLN 19 2HB GLN 19 -1.649 4.129 3.486 154 HB3 GLN 19 1HB GLN 19 -1.447 5.269 2.174 155 HG2 GLN 19 2HG GLN 19 -1.623 3.484 0.576 156 HG3 GLN 19 1HG GLN 19 -1.633 2.275 1.867 157 HE21 GLN 19 1HE2 GLN 19 -3.482 2.707 -0.268 158 HE22 GLN 19 2HE2 GLN 19 -5.014 3.035 0.467 159 H ILE 20 H ILE 20 0.167 5.299 4.691 160 HA ILE 20 HA ILE 20 1.109 7.811 3.886 161 HB ILE 20 HB ILE 20 1.313 6.569 6.644 162 HG12 ILE 20 2HG1 ILE 20 -0.990 6.690 5.888 163 HG13 ILE 20 1HG1 ILE 20 -0.721 7.896 7.137 164 HG21 ILE 20 1HG2 ILE 20 2.856 8.435 6.458 165 HG22 ILE 20 2HG2 ILE 20 1.500 8.860 7.503 166 HG23 ILE 20 3HG2 ILE 20 1.561 9.464 5.847 167 HD11 ILE 20 3HD1 ILE 20 -2.102 8.774 5.364 168 HD12 ILE 20 1HD1 ILE 20 -0.862 8.407 4.168 169 HD13 ILE 20 2HD1 ILE 20 -0.559 9.627 5.404 170 H ALA 21 H ALA 21 2.917 5.110 5.260 171 HA ALA 21 HA ALA 21 5.427 6.418 5.339 172 HB1 ALA 21 1HB ALA 21 6.390 4.177 5.554 173 HB2 ALA 21 2HB ALA 21 4.839 3.467 5.102 174 HB3 ALA 21 3HB ALA 21 4.991 4.379 6.604 175 H ILE 22 H ILE 22 3.886 4.381 2.931 176 HA ILE 22 HA ILE 22 6.072 4.311 1.132 177 HB ILE 22 HB ILE 22 3.782 2.911 1.379 178 HG12 ILE 22 2HG1 ILE 22 5.609 2.030 0.251 179 HG13 ILE 22 1HG1 ILE 22 4.201 1.963 -0.838 180 HG21 ILE 22 1HG2 ILE 22 3.213 4.713 -0.936 181 HG22 ILE 22 2HG2 ILE 22 2.273 4.561 0.548 182 HG23 ILE 22 3HG2 ILE 22 2.351 3.212 -0.593 183 HD11 ILE 22 3HD1 ILE 22 5.151 3.964 -1.989 184 HD12 ILE 22 1HD1 ILE 22 6.163 2.509 -2.087 185 HD13 ILE 22 2HD1 ILE 22 6.561 3.781 -0.942 186 H CYS 23 H CYS 23 3.488 6.507 1.674 187 HA CYS 23 HA CYS 23 3.817 7.851 -0.835 188 HB2 CYS 23 2HB CYS 23 1.710 7.722 0.726 189 HB3 CYS 23 1HB CYS 23 2.442 9.124 1.501 190 H GLY 24 H GLY 24 5.271 7.980 2.256 191 HA2 GLY 24 2HA GLY 24 6.479 10.583 1.778 192 HA3 GLY 24 1HA GLY 24 6.646 9.582 3.219 193 H MET 25 H MET 25 7.133 7.312 1.179 194 HA MET 25 HA MET 25 9.798 7.843 0.237 195 HB2 MET 25 2HB MET 25 9.182 5.704 2.309 196 HB3 MET 25 1HB MET 25 10.615 5.681 1.310 197 HG2 MET 25 2HG MET 25 10.051 8.040 3.045 198 HG3 MET 25 1HG MET 25 10.690 6.568 3.761 199 HE1 MET 25 3HE MET 25 13.001 9.221 0.723 200 HE2 MET 25 1HE MET 25 11.344 9.523 1.227 201 HE3 MET 25 2HE MET 25 11.723 8.173 0.136 202 H SER 26 H SER 26 8.593 7.613 -1.658 203 HA SER 26 HA SER 26 7.306 5.100 -2.155 204 HB2 SER 26 2HB SER 26 7.766 7.352 -4.108 205 HB3 SER 26 1HB SER 26 6.657 5.994 -4.320 206 HG SER 26 HG SER 26 5.975 6.899 -2.059 207 H THR 27 H THR 27 10.302 6.225 -2.456 208 HA THR 27 HA THR 27 11.344 3.814 -3.444 209 HB THR 27 HB THR 27 12.059 6.288 -5.070 210 HG1 THR 27 1HG THR 27 9.828 4.675 -5.314 211 HG21 THR 27 3HG2 THR 27 12.395 3.331 -5.555 212 HG22 THR 27 1HG2 THR 27 13.673 4.506 -5.263 213 HG23 THR 27 2HG2 THR 27 12.755 4.557 -6.764 214 H TRP 28 H TRP 28 13.782 4.309 -3.489 215 HA TRP 28 HA TRP 28 14.490 5.634 -1.014 216 HB2 TRP 28 2HB TRP 28 16.281 4.314 -3.081 217 HB3 TRP 28 1HB TRP 28 16.786 4.852 -1.489 218 HD1 TRP 28 HD TRP 28 15.545 1.839 -3.289 219 HE1 TRP 28 1HE TRP 28 15.060 -0.048 -1.622 220 HE3 TRP 28 3HE TRP 28 15.615 4.529 1.070 221 HZ2 TRP 28 2HZ TRP 28 14.700 -0.370 1.135 222 HZ3 TRP 28 3HZ TRP 28 15.162 3.338 3.175 223 HH2 TRP 28 HH TRP 28 14.716 0.948 3.201 224 H SER 29 H SER 29 15.209 7.715 -0.898 225 HA SER 29 HA SER 29 15.567 9.112 -3.414 226 HB2 SER 29 2HB SER 29 15.390 10.217 -0.604 227 HB3 SER 29 1HB SER 29 15.306 11.136 -2.106 228 HG SER 29 HG SER 29 13.473 9.388 -2.413 229 HN1 NH2 30 HT1 SER 29 17.613 8.608 -4.053 230 HN2 NH2 30 HT2 SER 29 19.045 8.950 -3.152 231 HA PCA 1 HA PCA 1 -13.790 5.868 -5.092 232 HB2 PCA 1 2HB PCA 1 -12.672 5.508 -2.479 233 HB3 PCA 1 1HB PCA 1 -13.557 6.936 -3.085 234 HG2 PCA 1 2HG PCA 1 -14.449 5.041 -1.139 235 HG3 PCA 1 1HG PCA 1 -15.427 6.344 -1.900 236 H LEU 2 H LEU 2 -11.733 5.356 -5.765 237 HA LEU 2 HA LEU 2 -11.084 2.558 -5.711 238 HB2 LEU 2 2HB LEU 2 -9.536 4.835 -6.934 239 HB3 LEU 2 1HB LEU 2 -9.174 3.131 -7.127 240 HG LEU 2 HG LEU 2 -11.700 4.446 -8.105 241 HD11 LEU 2 1HD1 LEU 2 -9.213 3.628 -9.596 242 HD12 LEU 2 2HD1 LEU 2 -9.773 5.279 -9.316 243 HD13 LEU 2 3HD1 LEU 2 -10.717 4.189 -10.328 244 HD21 LEU 2 3HD2 LEU 2 -11.962 2.331 -9.351 245 HD22 LEU 2 1HD2 LEU 2 -11.986 2.083 -7.605 246 HD23 LEU 2 2HD2 LEU 2 -10.539 1.695 -8.528 247 H TYR 3 H TYR 3 -10.133 5.099 -3.828 248 HA TYR 3 HA TYR 3 -7.900 3.883 -2.726 249 HB2 TYR 3 2HB TYR 3 -8.348 6.066 -2.000 250 HB3 TYR 3 1HB TYR 3 -10.033 5.694 -1.627 251 HD1 TYR 3 2HD TYR 3 -6.573 4.883 -0.611 252 HD2 TYR 3 1HD TYR 3 -10.649 5.155 0.486 253 HE1 TYR 3 2HE TYR 3 -5.975 4.337 1.648 254 HE2 TYR 3 1HE TYR 3 -10.138 4.600 2.724 255 HH TYR 3 HH TYR 3 -6.794 4.512 3.839 256 H SER 4 H SER 4 -11.361 3.503 -1.931 257 HA SER 4 HA SER 4 -10.998 1.549 0.047 258 HB2 SER 4 2HB SER 4 -13.416 2.174 -1.650 259 HB3 SER 4 1HB SER 4 -13.405 1.346 -0.088 260 HG SER 4 HG SER 4 -13.385 3.192 0.837 261 H ALA 5 H ALA 5 -11.490 1.448 -3.427 262 HA ALA 5 HA ALA 5 -11.925 -1.305 -3.755 263 HB1 ALA 5 1HB ALA 5 -11.241 -0.967 -6.072 264 HB2 ALA 5 2HB ALA 5 -10.521 0.578 -5.645 265 HB3 ALA 5 3HB ALA 5 -12.271 0.365 -5.539 266 H LEU 6 H LEU 6 -8.947 0.611 -3.719 267 HA LEU 6 HA LEU 6 -7.116 -1.477 -4.121 268 HB2 LEU 6 2HB LEU 6 -6.488 0.892 -4.265 269 HB3 LEU 6 1HB LEU 6 -6.806 1.089 -2.553 270 HG LEU 6 HG LEU 6 -4.997 -0.645 -2.160 271 HD11 LEU 6 1HD1 LEU 6 -3.318 -0.901 -3.893 272 HD12 LEU 6 2HD1 LEU 6 -4.355 -0.029 -5.020 273 HD13 LEU 6 3HD1 LEU 6 -4.876 -1.581 -4.360 274 HD21 LEU 6 3HD2 LEU 6 -4.174 1.978 -3.395 275 HD22 LEU 6 1HD2 LEU 6 -3.199 0.979 -2.320 276 HD23 LEU 6 2HD2 LEU 6 -4.672 1.738 -1.719 277 H ALA 7 H ALA 7 -8.482 -0.041 -1.215 278 HA ALA 7 HA ALA 7 -7.049 -1.378 0.716 279 HB1 ALA 7 1HB ALA 7 -8.875 -0.870 2.249 280 HB2 ALA 7 2HB ALA 7 -9.939 -0.540 0.882 281 HB3 ALA 7 3HB ALA 7 -8.550 0.500 1.187 282 H ASN 8 H ASN 8 -10.116 -2.380 -0.756 283 HA ASN 8 HA ASN 8 -10.246 -4.833 0.651 284 HB2 ASN 8 2HB ASN 8 -11.621 -3.875 -1.846 285 HB3 ASN 8 1HB ASN 8 -11.772 -5.552 -1.338 286 HD21 ASN 8 1HD2 ASN 8 -13.799 -3.434 -1.512 287 HD22 ASN 8 2HD2 ASN 8 -14.467 -3.297 0.069 288 H LYS 9 H LYS 9 -8.833 -3.968 -2.406 289 HA LYS 9 HA LYS 9 -8.220 -6.586 -3.284 290 HB2 LYS 9 2HB LYS 9 -8.304 -4.523 -4.738 291 HB3 LYS 9 1HB LYS 9 -6.913 -3.917 -3.908 292 HG2 LYS 9 2HG LYS 9 -6.795 -6.417 -5.594 293 HG3 LYS 9 1HG LYS 9 -6.578 -4.804 -6.264 294 HD2 LYS 9 2HD LYS 9 -4.776 -4.539 -4.452 295 HD3 LYS 9 1HD LYS 9 -4.849 -6.294 -4.314 296 HE2 LYS 9 2HE LYS 9 -4.171 -4.707 -6.806 297 HE3 LYS 9 1HE LYS 9 -3.041 -5.601 -5.805 298 HZ1 LYS 9 3HZ LYS 9 -4.281 -7.669 -6.484 299 HZ2 LYS 9 1HZ LYS 9 -3.545 -6.843 -7.754 300 HZ3 LYS 9 2HZ LYS 9 -5.180 -6.705 -7.531 301 H CYS 10 H CYS 10 -6.226 -4.263 -1.505 302 HA CYS 10 HA CYS 10 -3.997 -6.074 -1.265 303 HB2 CYS 10 2HB CYS 10 -4.663 -3.697 0.470 304 HB3 CYS 10 1HB CYS 10 -3.081 -4.428 0.219 305 H CYS 11 H CYS 11 -6.902 -5.555 0.592 306 HA CYS 11 HA CYS 11 -5.904 -6.964 2.870 307 HB2 CYS 11 2HB CYS 11 -7.675 -5.228 3.022 308 HB3 CYS 11 1HB CYS 11 -8.749 -6.278 2.125 309 H HIS 12 H HIS 12 -7.873 -7.737 0.036 310 HA HIS 12 HA HIS 12 -8.582 -10.328 1.033 311 HB2 HIS 12 2HB HIS 12 -8.879 -9.023 -1.650 312 HB3 HIS 12 1HB HIS 12 -9.404 -10.666 -1.336 313 HD1 HIS 12 1HD HIS 12 -11.831 -9.466 -2.020 314 HD2 HIS 12 2HD HIS 12 -10.127 -8.419 1.605 315 HE1 HIS 12 1HE HIS 12 -13.665 -8.388 -0.682 316 H VAL 13 H VAL 13 -6.529 -9.176 -1.534 317 HA VAL 13 HA VAL 13 -5.201 -11.784 -1.469 318 HB VAL 13 HB VAL 13 -4.569 -11.355 -3.860 319 HG11 VAL 13 1HG1 VAL 13 -6.807 -12.130 -4.701 320 HG12 VAL 13 2HG1 VAL 13 -7.509 -11.609 -3.166 321 HG13 VAL 13 3HG1 VAL 13 -6.357 -12.943 -3.195 322 HG21 VAL 13 3HG2 VAL 13 -5.065 -8.977 -4.009 323 HG22 VAL 13 1HG2 VAL 13 -6.768 -9.292 -3.679 324 HG23 VAL 13 2HG2 VAL 13 -6.040 -9.866 -5.179 325 H GLY 14 H GLY 14 -4.641 -8.412 -2.153 326 HA2 GLY 14 2HA GLY 14 -2.699 -7.488 -0.748 327 HA3 GLY 14 1HA GLY 14 -1.812 -8.811 -1.397 328 H CYS 15 H CYS 15 -0.957 -6.278 -1.714 329 HA CYS 15 HA CYS 15 -1.105 -5.978 -4.597 330 HB2 CYS 15 2HB CYS 15 -1.484 -3.565 -4.408 331 HB3 CYS 15 1HB CYS 15 -2.849 -4.506 -3.829 332 H THR 16 H THR 16 0.543 -4.432 -5.343 333 HA THR 16 HA THR 16 2.929 -4.827 -3.938 334 HB THR 16 HB THR 16 3.756 -3.278 -5.828 335 HG1 THR 16 1HG THR 16 2.264 -3.157 -7.584 336 HG21 THR 16 3HG2 THR 16 3.689 -5.133 -7.449 337 HG22 THR 16 1HG2 THR 16 2.456 -5.939 -6.478 338 HG23 THR 16 2HG2 THR 16 4.089 -5.705 -5.840 339 H LYS 17 H LYS 17 4.222 -3.192 -3.266 340 HA LYS 17 HA LYS 17 2.914 -1.203 -1.595 341 HB2 LYS 17 2HB LYS 17 5.128 -2.538 -1.307 342 HB3 LYS 17 1HB LYS 17 5.858 -1.293 -2.294 343 HG2 LYS 17 2HG LYS 17 6.293 -0.838 -0.005 344 HG3 LYS 17 1HG LYS 17 5.129 0.348 -0.592 345 HD2 LYS 17 2HD LYS 17 3.305 -0.923 0.444 346 HD3 LYS 17 1HD LYS 17 4.455 -2.141 0.988 347 HE2 LYS 17 2HE LYS 17 4.430 0.763 1.833 348 HE3 LYS 17 1HE LYS 17 3.808 -0.585 2.775 349 HZ1 LYS 17 3HZ LYS 17 6.004 0.063 3.498 350 HZ2 LYS 17 1HZ LYS 17 6.671 -0.238 1.994 351 HZ3 LYS 17 2HZ LYS 17 6.045 -1.490 2.911 352 H ARG 18 H ARG 18 4.462 -1.210 -4.695 353 HA ARG 18 HA ARG 18 4.378 1.557 -5.229 354 HB2 ARG 18 2HB ARG 18 4.320 -0.875 -7.003 355 HB3 ARG 18 1HB ARG 18 4.254 0.752 -7.658 356 HG2 ARG 18 2HG ARG 18 6.398 1.268 -6.737 357 HG3 ARG 18 1HG ARG 18 6.471 -0.287 -5.909 358 HD2 ARG 18 2HD ARG 18 6.618 -1.463 -7.966 359 HD3 ARG 18 1HD ARG 18 6.215 -0.026 -8.900 360 HE ARG 18 HE ARG 18 8.512 0.451 -7.379 361 HH11 ARG 18 1HH1 ARG 18 7.547 -1.525 -10.152 362 HH12 ARG 18 2HH1 ARG 18 9.031 -1.366 -10.966 363 HH21 ARG 18 1HH2 ARG 18 10.587 0.660 -8.502 364 HH22 ARG 18 2HH2 ARG 18 10.757 -0.084 -10.032 365 H SER 19 H SER 19 1.925 -0.883 -5.171 366 HA SER 19 HA SER 19 0.056 0.523 -6.777 367 HB2 SER 19 2HB SER 19 0.034 -1.925 -6.567 368 HB3 SER 19 1HB SER 19 -0.344 -1.814 -4.867 369 HG SER 19 HG SER 19 -2.298 -0.635 -5.584 370 H LEU 20 H LEU 20 0.650 0.143 -3.311 371 HA LEU 20 HA LEU 20 -1.521 2.004 -2.673 372 HB2 LEU 20 2HB LEU 20 0.729 1.612 -0.666 373 HB3 LEU 20 1HB LEU 20 -0.929 2.007 -0.440 374 HG LEU 20 HG LEU 20 -1.487 -0.386 -1.170 375 HD11 LEU 20 1HD1 LEU 20 0.215 -2.020 -0.641 376 HD12 LEU 20 2HD1 LEU 20 1.371 -0.722 -0.360 377 HD13 LEU 20 3HD1 LEU 20 0.720 -0.991 -1.981 378 HD21 LEU 20 3HD2 LEU 20 -1.835 0.422 1.080 379 HD22 LEU 20 1HD2 LEU 20 -0.113 0.196 1.430 380 HD23 LEU 20 2HD2 LEU 20 -1.136 -1.201 1.107 381 H ALA 21 H ALA 21 1.746 2.244 -3.417 382 HA ALA 21 HA ALA 21 2.244 4.917 -2.685 383 HB1 ALA 21 1HB ALA 21 4.095 4.913 -4.206 384 HB2 ALA 21 2HB ALA 21 3.388 3.587 -5.120 385 HB3 ALA 21 3HB ALA 21 3.975 3.301 -3.485 386 H ARG 22 H ARG 22 0.635 3.671 -5.524 387 HA ARG 22 HA ARG 22 0.493 6.316 -6.685 388 HB2 ARG 22 2HB ARG 22 -0.709 5.247 -8.569 389 HB3 ARG 22 1HB ARG 22 0.842 4.507 -8.235 390 HG2 ARG 22 2HG ARG 22 -0.352 2.686 -7.031 391 HG3 ARG 22 1HG ARG 22 -1.878 3.413 -7.539 392 HD2 ARG 22 2HD ARG 22 -1.283 3.119 -9.870 393 HD3 ARG 22 1HD ARG 22 0.300 2.503 -9.417 394 HE ARG 22 HE ARG 22 -2.196 1.110 -8.705 395 HH11 ARG 22 1HH1 ARG 22 1.098 1.036 -10.026 396 HH12 ARG 22 2HH1 ARG 22 1.065 -0.611 -10.420 397 HH21 ARG 22 1HH2 ARG 22 -2.208 -1.217 -9.225 398 HH22 ARG 22 2HH2 ARG 22 -0.831 -1.914 -9.940 399 H PHE 23 H PHE 23 -1.074 5.149 -4.214 400 HA PHE 23 HA PHE 23 -3.520 6.627 -4.892 401 HB2 PHE 23 2HB PHE 23 -3.293 4.132 -3.223 402 HB3 PHE 23 1HB PHE 23 -4.674 5.212 -3.097 403 HD1 PHE 23 1HD PHE 23 -2.871 2.907 -5.321 404 HD2 PHE 23 2HD PHE 23 -6.369 5.234 -4.747 405 HE1 PHE 23 1HE PHE 23 -3.936 1.746 -7.189 406 HE2 PHE 23 2HE PHE 23 -7.447 4.085 -6.621 407 HZ PHE 23 HZ PHE 23 -6.237 2.330 -7.851 408 H CYS 24 H CYS 24 -1.792 5.479 -2.118 409 HA CYS 24 HA CYS 24 -1.167 6.408 -0.146 410 HB2 CYS 24 2HB CYS 24 -1.762 9.100 -1.412 411 HB3 CYS 24 1HB CYS 24 -0.926 8.856 0.112 412 HN1 NH2 25 HT1 CYS 24 -3.782 8.641 -1.053 413 HN2 NH2 25 HT2 CYS 24 -4.764 8.255 0.321 Start of MODEL 11 1 H1 ASP 1 1HT ASP 1 10.129 -5.908 2.617 2 H2 ASP 1 2HT ASP 1 11.483 -5.837 1.620 3 H3 ASP 1 3HT ASP 1 9.922 -5.654 0.978 4 HA ASP 1 HA ASP 1 9.546 -3.646 2.054 5 HB2 ASP 1 2HB ASP 1 12.253 -4.039 3.317 6 HB3 ASP 1 1HB ASP 1 11.444 -2.482 3.242 7 H SER 2 H SER 2 11.978 -4.881 -0.038 8 HA SER 2 HA SER 2 13.002 -2.417 -0.936 9 HB2 SER 2 2HB SER 2 12.611 -4.892 -2.533 10 HB3 SER 2 1HB SER 2 13.854 -3.684 -2.770 11 HG SER 2 HG SER 2 14.541 -4.266 -0.529 12 H TRP 3 H TRP 3 12.218 -1.109 -2.416 13 HA TRP 3 HA TRP 3 9.374 -0.952 -2.400 14 HB2 TRP 3 2HB TRP 3 11.332 0.918 -3.707 15 HB3 TRP 3 1HB TRP 3 9.602 1.210 -3.578 16 HD1 TRP 3 HD TRP 3 12.683 2.072 -1.893 17 HE1 TRP 3 1HE TRP 3 12.278 2.840 0.514 18 HE3 TRP 3 3HE TRP 3 7.885 0.406 -1.298 19 HZ2 TRP 3 2HZ TRP 3 10.211 2.751 2.430 20 HZ3 TRP 3 3HZ TRP 3 6.783 0.762 0.839 21 HH2 TRP 3 HH TRP 3 7.912 1.921 2.680 22 H MET 4 H MET 4 11.489 -2.112 -4.851 23 HA MET 4 HA MET 4 9.530 -1.589 -6.903 24 HB2 MET 4 2HB MET 4 11.926 -1.578 -7.481 25 HB3 MET 4 1HB MET 4 12.031 -3.277 -7.056 26 HG2 MET 4 2HG MET 4 11.892 -2.990 -9.463 27 HG3 MET 4 1HG MET 4 10.486 -3.850 -8.837 28 HE1 MET 4 3HE MET 4 11.859 -0.456 -10.253 29 HE2 MET 4 1HE MET 4 11.214 0.049 -8.691 30 HE3 MET 4 2HE MET 4 10.435 0.581 -10.180 31 H GLU 5 H GLU 5 10.704 -4.419 -5.161 32 HA GLU 5 HA GLU 5 8.416 -5.837 -6.252 33 HB2 GLU 5 2HB GLU 5 11.068 -6.897 -5.341 34 HB3 GLU 5 1HB GLU 5 9.672 -7.943 -5.577 35 HG2 GLU 5 2HG GLU 5 10.876 -6.163 -7.680 36 HG3 GLU 5 1HG GLU 5 11.191 -7.891 -7.516 37 H GLU 6 H GLU 6 6.906 -5.331 -4.914 38 HA GLU 6 HA GLU 6 7.018 -6.411 -2.222 39 HB2 GLU 6 2HB GLU 6 6.574 -3.536 -2.896 40 HB3 GLU 6 1HB GLU 6 5.797 -4.292 -1.515 41 HG2 GLU 6 2HG GLU 6 8.745 -4.316 -1.894 42 HG3 GLU 6 1HG GLU 6 7.890 -3.002 -1.088 43 H VAL 7 H VAL 7 5.253 -7.478 -1.915 44 HA VAL 7 HA VAL 7 2.720 -6.426 -2.592 45 HB VAL 7 HB VAL 7 3.074 -7.644 -4.681 46 HG11 VAL 7 1HG1 VAL 7 3.485 -10.058 -4.779 47 HG12 VAL 7 2HG1 VAL 7 3.683 -10.081 -3.026 48 HG13 VAL 7 3HG1 VAL 7 4.819 -9.179 -4.029 49 HG21 VAL 7 3HG2 VAL 7 0.813 -7.739 -3.774 50 HG22 VAL 7 1HG2 VAL 7 1.217 -9.190 -2.865 51 HG23 VAL 7 2HG2 VAL 7 1.184 -9.236 -4.626 52 H ILE 8 H ILE 8 1.773 -6.471 -0.780 53 HA ILE 8 HA ILE 8 1.993 -8.816 0.942 54 HB ILE 8 HB ILE 8 2.123 -7.388 2.952 55 HG12 ILE 8 2HG1 ILE 8 2.528 -5.121 1.004 56 HG13 ILE 8 1HG1 ILE 8 1.117 -5.370 2.008 57 HG21 ILE 8 1HG2 ILE 8 4.403 -6.917 1.050 58 HG22 ILE 8 2HG2 ILE 8 4.192 -8.312 2.110 59 HG23 ILE 8 3HG2 ILE 8 4.474 -6.713 2.800 60 HD11 ILE 8 3HD1 ILE 8 3.892 -4.771 3.025 61 HD12 ILE 8 1HD1 ILE 8 2.461 -5.028 4.023 62 HD13 ILE 8 2HD1 ILE 8 2.545 -3.635 2.945 63 H LYS 9 H LYS 9 0.349 -8.514 2.737 64 HA LYS 9 HA LYS 9 -2.001 -7.243 1.606 65 HB2 LYS 9 2HB LYS 9 -3.391 -8.911 2.869 66 HB3 LYS 9 1HB LYS 9 -2.424 -9.601 1.577 67 HG2 LYS 9 2HG LYS 9 -0.831 -10.453 3.172 68 HG3 LYS 9 1HG LYS 9 -1.689 -9.664 4.494 69 HD2 LYS 9 2HD LYS 9 -2.186 -12.070 4.350 70 HD3 LYS 9 1HD LYS 9 -3.629 -11.085 4.121 71 HE2 LYS 9 2HE LYS 9 -3.547 -11.452 1.743 72 HE3 LYS 9 1HE LYS 9 -1.995 -12.276 1.878 73 HZ1 LYS 9 3HZ LYS 9 -4.561 -13.235 3.052 74 HZ2 LYS 9 1HZ LYS 9 -3.083 -14.017 3.154 75 HZ3 LYS 9 2HZ LYS 9 -3.843 -13.856 1.669 76 H LEU 10 H LEU 10 -3.193 -5.989 2.935 77 HA LEU 10 HA LEU 10 -2.722 -5.769 5.732 78 HB2 LEU 10 2HB LEU 10 -2.321 -3.337 5.665 79 HB3 LEU 10 1HB LEU 10 -0.867 -4.076 5.289 80 HG LEU 10 HG LEU 10 -2.741 -2.564 3.725 81 HD11 LEU 10 1HD1 LEU 10 -0.797 -1.522 4.975 82 HD12 LEU 10 2HD1 LEU 10 -0.670 -1.234 3.242 83 HD13 LEU 10 3HD1 LEU 10 0.298 -2.496 3.995 84 HD21 LEU 10 3HD2 LEU 10 -0.513 -4.174 2.501 85 HD22 LEU 10 1HD2 LEU 10 -1.398 -2.909 1.651 86 HD23 LEU 10 2HD2 LEU 10 -2.241 -4.360 2.199 87 H CYS 11 H CYS 11 -4.028 -3.897 6.524 88 HA CYS 11 HA CYS 11 -6.489 -3.486 5.056 89 HB2 CYS 11 2HB CYS 11 -6.530 -5.108 7.562 90 HB3 CYS 11 1HB CYS 11 -7.921 -4.645 6.610 91 H GLY 12 H GLY 12 -7.902 -2.124 6.269 92 HA2 GLY 12 2HA GLY 12 -8.380 -0.279 7.606 93 HA3 GLY 12 1HA GLY 12 -7.784 -1.330 8.860 94 H ARG 13 H ARG 13 -6.508 -0.448 10.052 95 HA ARG 13 HA ARG 13 -5.209 2.042 9.685 96 HB2 ARG 13 2HB ARG 13 -4.533 -0.076 11.742 97 HB3 ARG 13 1HB ARG 13 -4.181 1.640 11.843 98 HG2 ARG 13 2HG ARG 13 -6.593 2.116 11.975 99 HG3 ARG 13 1HG ARG 13 -6.921 0.388 11.888 100 HD2 ARG 13 2HD ARG 13 -5.585 0.079 13.960 101 HD3 ARG 13 1HD ARG 13 -5.412 1.832 14.059 102 HE ARG 13 HE ARG 13 -8.117 1.292 13.847 103 HH11 ARG 13 1HH1 ARG 13 -5.548 0.884 16.222 104 HH12 ARG 13 2HH1 ARG 13 -6.592 0.657 17.543 105 HH21 ARG 13 1HH2 ARG 13 -9.568 1.059 15.673 106 HH22 ARG 13 2HH2 ARG 13 -8.935 0.777 17.222 107 H GLU 14 H GLU 14 -4.171 -1.315 9.427 108 HA GLU 14 HA GLU 14 -1.408 -0.839 9.157 109 HB2 GLU 14 2HB GLU 14 -3.140 -3.054 8.127 110 HB3 GLU 14 1HB GLU 14 -1.400 -3.034 7.939 111 HG2 GLU 14 2HG GLU 14 -1.203 -2.976 10.411 112 HG3 GLU 14 1HG GLU 14 -2.960 -3.139 10.506 113 H LEU 15 H LEU 15 -4.060 -0.847 6.820 114 HA LEU 15 HA LEU 15 -2.543 -0.887 4.518 115 HB2 LEU 15 2HB LEU 15 -5.182 0.507 5.057 116 HB3 LEU 15 1HB LEU 15 -4.448 0.586 3.483 117 HG LEU 15 HG LEU 15 -5.114 -2.069 4.706 118 HD11 LEU 15 1HD1 LEU 15 -7.306 -1.879 3.588 119 HD12 LEU 15 2HD1 LEU 15 -6.950 -0.199 3.168 120 HD13 LEU 15 3HD1 LEU 15 -7.134 -0.676 4.860 121 HD21 LEU 15 3HD2 LEU 15 -3.784 -1.706 2.517 122 HD22 LEU 15 1HD2 LEU 15 -5.320 -1.165 1.865 123 HD23 LEU 15 2HD2 LEU 15 -5.163 -2.815 2.514 124 H VAL 16 H VAL 16 -3.745 1.658 6.586 125 HA VAL 16 HA VAL 16 -2.817 3.931 5.142 126 HB VAL 16 HB VAL 16 -3.597 3.652 8.068 127 HG11 VAL 16 1HG1 VAL 16 -3.917 6.054 8.089 128 HG12 VAL 16 2HG1 VAL 16 -3.341 6.165 6.424 129 HG13 VAL 16 3HG1 VAL 16 -2.241 5.656 7.708 130 HG21 VAL 16 3HG2 VAL 16 -5.734 4.603 7.374 131 HG22 VAL 16 1HG2 VAL 16 -5.398 3.074 6.560 132 HG23 VAL 16 2HG2 VAL 16 -5.184 4.603 5.700 133 H ARG 17 H ARG 17 -1.530 2.142 7.850 134 HA ARG 17 HA ARG 17 0.654 3.755 8.406 135 HB2 ARG 17 2HB ARG 17 0.004 0.923 8.916 136 HB3 ARG 17 1HB ARG 17 1.700 1.330 9.045 137 HG2 ARG 17 2HG ARG 17 0.451 1.414 11.203 138 HG3 ARG 17 1HG ARG 17 1.243 2.931 10.787 139 HD2 ARG 17 2HD ARG 17 -0.862 3.837 9.996 140 HD3 ARG 17 1HD ARG 17 -1.657 2.300 10.289 141 HE ARG 17 HE ARG 17 -0.882 2.765 12.693 142 HH11 ARG 17 1HH1 ARG 17 -1.778 5.337 10.465 143 HH12 ARG 17 2HH1 ARG 17 -2.723 6.210 11.573 144 HH21 ARG 17 1HH2 ARG 17 -2.141 3.988 14.267 145 HH22 ARG 17 2HH2 ARG 17 -2.926 5.427 13.807 146 H ALA 18 H ALA 18 0.453 1.186 6.075 147 HA ALA 18 HA ALA 18 3.186 1.567 5.272 148 HB1 ALA 18 1HB ALA 18 2.726 0.037 3.438 149 HB2 ALA 18 2HB ALA 18 1.002 0.106 3.802 150 HB3 ALA 18 3HB ALA 18 2.120 -0.617 4.959 151 H GLN 19 H GLN 19 0.022 2.493 3.939 152 HA GLN 19 HA GLN 19 0.848 3.633 1.558 153 HB2 GLN 19 2HB GLN 19 -1.428 3.982 3.393 154 HB3 GLN 19 1HB GLN 19 -1.275 5.174 2.131 155 HG2 GLN 19 2HG GLN 19 -1.340 3.425 0.475 156 HG3 GLN 19 1HG GLN 19 -1.412 2.174 1.737 157 HE21 GLN 19 1HE2 GLN 19 -3.238 2.708 -0.448 158 HE22 GLN 19 2HE2 GLN 19 -4.758 3.083 0.280 159 H ILE 20 H ILE 20 0.268 5.242 4.644 160 HA ILE 20 HA ILE 20 1.130 7.792 3.834 161 HB ILE 20 HB ILE 20 0.906 6.597 6.609 162 HG12 ILE 20 2HG1 ILE 20 -1.220 6.667 5.457 163 HG13 ILE 20 1HG1 ILE 20 -1.200 7.876 6.732 164 HG21 ILE 20 1HG2 ILE 20 2.421 8.486 6.695 165 HG22 ILE 20 2HG2 ILE 20 0.890 8.885 7.476 166 HG23 ILE 20 3HG2 ILE 20 1.240 9.493 5.858 167 HD11 ILE 20 3HD1 ILE 20 -0.772 9.613 5.038 168 HD12 ILE 20 1HD1 ILE 20 -2.276 8.738 4.753 169 HD13 ILE 20 2HD1 ILE 20 -0.858 8.379 3.778 170 H ALA 21 H ALA 21 2.877 5.079 5.259 171 HA ALA 21 HA ALA 21 5.280 6.433 5.792 172 HB1 ALA 21 1HB ALA 21 4.802 4.189 6.663 173 HB2 ALA 21 2HB ALA 21 6.334 4.232 5.787 174 HB3 ALA 21 3HB ALA 21 4.903 3.540 5.027 175 H ILE 22 H ILE 22 4.238 4.632 2.929 176 HA ILE 22 HA ILE 22 6.623 5.065 1.403 177 HB ILE 22 HB ILE 22 3.861 4.628 0.235 178 HG12 ILE 22 2HG1 ILE 22 5.785 2.473 1.080 179 HG13 ILE 22 1HG1 ILE 22 4.442 2.994 2.088 180 HG21 ILE 22 1HG2 ILE 22 5.632 5.143 -1.369 181 HG22 ILE 22 2HG2 ILE 22 5.183 3.438 -1.510 182 HG23 ILE 22 3HG2 ILE 22 6.657 3.894 -0.666 183 HD11 ILE 22 3HD1 ILE 22 2.878 2.367 0.329 184 HD12 ILE 22 1HD1 ILE 22 3.859 1.004 0.859 185 HD13 ILE 22 2HD1 ILE 22 4.222 1.820 -0.669 186 H CYS 23 H CYS 23 3.736 6.843 1.976 187 HA CYS 23 HA CYS 23 3.836 8.580 -0.279 188 HB2 CYS 23 2HB CYS 23 1.830 7.864 1.144 189 HB3 CYS 23 1HB CYS 23 2.389 9.031 2.324 190 H GLY 24 H GLY 24 5.265 8.545 2.878 191 HA2 GLY 24 2HA GLY 24 6.188 11.318 2.555 192 HA3 GLY 24 1HA GLY 24 6.252 10.393 4.050 193 H MET 25 H MET 25 7.279 8.008 2.713 194 HA MET 25 HA MET 25 10.017 8.896 2.323 195 HB2 MET 25 2HB MET 25 8.978 6.193 3.224 196 HB3 MET 25 1HB MET 25 10.667 6.566 2.933 197 HG2 MET 25 2HG MET 25 8.904 7.769 5.057 198 HG3 MET 25 1HG MET 25 10.181 6.579 5.301 199 HE1 MET 25 3HE MET 25 11.748 9.716 6.986 200 HE2 MET 25 1HE MET 25 11.359 8.003 7.154 201 HE3 MET 25 2HE MET 25 10.064 9.195 7.032 202 H SER 26 H SER 26 8.913 9.382 0.309 203 HA SER 26 HA SER 26 8.433 7.258 -1.578 204 HB2 SER 26 2HB SER 26 8.621 10.235 -1.953 205 HB3 SER 26 1HB SER 26 7.992 9.066 -3.119 206 HG SER 26 HG SER 26 6.763 8.567 -0.871 207 H THR 27 H THR 27 11.111 7.401 -0.435 208 HA THR 27 HA THR 27 12.691 7.428 -2.824 209 HB THR 27 HB THR 27 13.693 8.554 -0.204 210 HG1 THR 27 1HG THR 27 12.873 10.229 -2.355 211 HG21 THR 27 3HG2 THR 27 15.331 9.712 -1.674 212 HG22 THR 27 1HG2 THR 27 14.591 8.940 -3.072 213 HG23 THR 27 2HG2 THR 27 15.401 7.963 -1.841 214 H TRP 28 H TRP 28 14.742 6.279 -1.953 215 HA TRP 28 HA TRP 28 13.848 3.990 -0.460 216 HB2 TRP 28 2HB TRP 28 16.446 4.568 -1.874 217 HB3 TRP 28 1HB TRP 28 16.218 3.136 -0.879 218 HD1 TRP 28 HD TRP 28 14.922 1.155 -1.892 219 HE1 TRP 28 1HE TRP 28 13.929 0.639 -4.190 220 HE3 TRP 28 3HE TRP 28 15.216 5.818 -3.980 221 HZ2 TRP 28 2HZ TRP 28 13.334 2.006 -6.578 222 HZ3 TRP 28 3HZ TRP 28 14.409 6.117 -6.282 223 HH2 TRP 28 HH TRP 28 13.488 4.249 -7.550 224 H SER 29 H SER 29 13.430 5.129 1.386 225 HA SER 29 HA SER 29 15.752 5.795 3.045 226 HB2 SER 29 2HB SER 29 12.872 6.663 3.400 227 HB3 SER 29 1HB SER 29 14.288 7.288 4.245 228 HG SER 29 HG SER 29 15.005 7.830 1.965 229 HN1 NH2 30 HT1 SER 29 16.084 3.734 3.810 230 HN2 NH2 30 HT2 SER 29 14.929 2.815 4.711 231 HA PCA 1 HA PCA 1 -13.624 4.682 -6.835 232 HB2 PCA 1 2HB PCA 1 -12.538 4.925 -4.214 233 HB3 PCA 1 1HB PCA 1 -13.631 6.081 -5.023 234 HG2 PCA 1 2HG PCA 1 -14.217 4.323 -2.816 235 HG3 PCA 1 1HG PCA 1 -15.352 5.425 -3.668 236 H LEU 2 H LEU 2 -11.308 4.636 -6.875 237 HA LEU 2 HA LEU 2 -10.307 1.984 -7.000 238 HB2 LEU 2 2HB LEU 2 -8.913 4.633 -7.290 239 HB3 LEU 2 1HB LEU 2 -8.148 3.086 -7.581 240 HG LEU 2 HG LEU 2 -10.479 4.206 -9.145 241 HD11 LEU 2 1HD1 LEU 2 -7.569 3.915 -9.869 242 HD12 LEU 2 2HD1 LEU 2 -8.421 5.429 -9.564 243 HD13 LEU 2 3HD1 LEU 2 -8.853 4.438 -10.957 244 HD21 LEU 2 3HD2 LEU 2 -8.835 1.702 -9.551 245 HD22 LEU 2 1HD2 LEU 2 -10.045 2.325 -10.671 246 HD23 LEU 2 2HD2 LEU 2 -10.534 1.770 -9.076 247 H TYR 3 H TYR 3 -10.049 4.562 -4.685 248 HA TYR 3 HA TYR 3 -7.981 3.534 -3.072 249 HB2 TYR 3 2HB TYR 3 -10.379 5.208 -2.349 250 HB3 TYR 3 1HB TYR 3 -9.226 4.683 -1.138 251 HD1 TYR 3 2HD TYR 3 -6.725 5.264 -1.696 252 HD2 TYR 3 1HD TYR 3 -10.084 7.265 -3.345 253 HE1 TYR 3 2HE TYR 3 -5.327 7.215 -2.137 254 HE2 TYR 3 1HE TYR 3 -8.694 9.234 -3.796 255 HH TYR 3 HH TYR 3 -5.275 9.164 -3.542 256 H SER 4 H SER 4 -11.487 3.125 -2.666 257 HA SER 4 HA SER 4 -11.307 1.282 -0.580 258 HB2 SER 4 2HB SER 4 -13.552 1.686 -2.555 259 HB3 SER 4 1HB SER 4 -13.674 0.999 -0.931 260 HG SER 4 HG SER 4 -14.029 2.955 -0.367 261 H ALA 5 H ALA 5 -11.314 0.897 -4.079 262 HA ALA 5 HA ALA 5 -11.684 -1.891 -4.161 263 HB1 ALA 5 1HB ALA 5 -10.105 -0.149 -6.063 264 HB2 ALA 5 2HB ALA 5 -11.838 -0.462 -6.166 265 HB3 ALA 5 3HB ALA 5 -10.686 -1.780 -6.395 266 H LEU 6 H LEU 6 -8.730 0.095 -4.162 267 HA LEU 6 HA LEU 6 -6.855 -1.980 -4.043 268 HB2 LEU 6 2HB LEU 6 -6.238 0.357 -4.510 269 HB3 LEU 6 1HB LEU 6 -6.708 0.821 -2.889 270 HG LEU 6 HG LEU 6 -4.893 -0.608 -1.990 271 HD11 LEU 6 1HD1 LEU 6 -4.136 -0.901 -4.881 272 HD12 LEU 6 2HD1 LEU 6 -4.700 -2.182 -3.804 273 HD13 LEU 6 3HD1 LEU 6 -3.151 -1.397 -3.508 274 HD21 LEU 6 3HD2 LEU 6 -4.471 1.773 -2.255 275 HD22 LEU 6 1HD2 LEU 6 -4.029 1.529 -3.944 276 HD23 LEU 6 2HD2 LEU 6 -3.014 0.879 -2.666 277 H ALA 7 H ALA 7 -8.442 -0.167 -1.458 278 HA ALA 7 HA ALA 7 -7.207 -1.283 0.739 279 HB1 ALA 7 1HB ALA 7 -9.178 -0.623 2.016 280 HB2 ALA 7 2HB ALA 7 -10.098 -0.452 0.520 281 HB3 ALA 7 3HB ALA 7 -8.743 0.627 0.849 282 H ASN 8 H ASN 8 -10.183 -2.423 -0.840 283 HA ASN 8 HA ASN 8 -10.449 -4.700 0.836 284 HB2 ASN 8 2HB ASN 8 -11.704 -3.978 -1.793 285 HB3 ASN 8 1HB ASN 8 -11.969 -5.556 -1.071 286 HD21 ASN 8 1HD2 ASN 8 -12.550 -2.150 -0.811 287 HD22 ASN 8 2HD2 ASN 8 -13.782 -2.242 0.375 288 H LYS 9 H LYS 9 -9.170 -4.330 -2.426 289 HA LYS 9 HA LYS 9 -8.626 -7.043 -2.850 290 HB2 LYS 9 2HB LYS 9 -7.506 -4.543 -4.022 291 HB3 LYS 9 1HB LYS 9 -6.951 -6.094 -4.588 292 HG2 LYS 9 2HG LYS 9 -9.332 -6.637 -5.145 293 HG3 LYS 9 1HG LYS 9 -9.757 -4.990 -4.681 294 HD2 LYS 9 2HD LYS 9 -9.514 -5.102 -7.081 295 HD3 LYS 9 1HD LYS 9 -8.196 -4.151 -6.405 296 HE2 LYS 9 2HE LYS 9 -6.685 -6.040 -6.603 297 HE3 LYS 9 1HE LYS 9 -8.005 -7.068 -7.163 298 HZ1 LYS 9 3HZ LYS 9 -8.206 -5.661 -9.101 299 HZ2 LYS 9 1HZ LYS 9 -6.640 -6.278 -8.989 300 HZ3 LYS 9 2HZ LYS 9 -6.950 -4.679 -8.559 301 H CYS 10 H CYS 10 -6.564 -4.519 -1.521 302 HA CYS 10 HA CYS 10 -4.298 -6.294 -1.362 303 HB2 CYS 10 2HB CYS 10 -4.411 -3.697 -1.625 304 HB3 CYS 10 1HB CYS 10 -4.586 -3.709 0.124 305 H CYS 11 H CYS 11 -7.045 -5.627 0.579 306 HA CYS 11 HA CYS 11 -5.897 -6.570 3.027 307 HB2 CYS 11 2HB CYS 11 -7.778 -4.972 2.938 308 HB3 CYS 11 1HB CYS 11 -8.778 -6.204 2.203 309 H HIS 12 H HIS 12 -7.714 -7.887 0.353 310 HA HIS 12 HA HIS 12 -7.973 -10.442 1.702 311 HB2 HIS 12 2HB HIS 12 -9.022 -9.464 -0.950 312 HB3 HIS 12 1HB HIS 12 -9.154 -11.142 -0.439 313 HD1 HIS 12 1HD HIS 12 -11.492 -11.535 0.368 314 HD2 HIS 12 2HD HIS 12 -10.061 -7.797 1.403 315 HE1 HIS 12 1HE HIS 12 -13.310 -10.469 1.759 316 H VAL 13 H VAL 13 -6.671 -9.438 -1.445 317 HA VAL 13 HA VAL 13 -5.098 -11.880 -1.335 318 HB VAL 13 HB VAL 13 -4.623 -11.511 -3.741 319 HG11 VAL 13 1HG1 VAL 13 -7.539 -11.600 -2.948 320 HG12 VAL 13 2HG1 VAL 13 -6.447 -12.982 -3.030 321 HG13 VAL 13 3HG1 VAL 13 -6.924 -12.142 -4.512 322 HG21 VAL 13 3HG2 VAL 13 -4.976 -9.107 -3.949 323 HG22 VAL 13 1HG2 VAL 13 -6.682 -9.301 -3.545 324 HG23 VAL 13 2HG2 VAL 13 -6.053 -9.964 -5.052 325 H GLY 14 H GLY 14 -4.680 -8.522 -2.130 326 HA2 GLY 14 2HA GLY 14 -2.813 -7.518 -0.708 327 HA3 GLY 14 1HA GLY 14 -1.816 -8.723 -1.453 328 H CYS 15 H CYS 15 -0.895 -6.408 -1.943 329 HA CYS 15 HA CYS 15 -1.460 -5.914 -4.718 330 HB2 CYS 15 2HB CYS 15 -1.969 -3.590 -4.449 331 HB3 CYS 15 1HB CYS 15 -3.149 -4.538 -3.559 332 H THR 16 H THR 16 0.033 -4.231 -5.508 333 HA THR 16 HA THR 16 2.562 -4.673 -4.391 334 HB THR 16 HB THR 16 3.361 -3.068 -6.153 335 HG1 THR 16 1HG THR 16 0.855 -3.209 -7.383 336 HG21 THR 16 3HG2 THR 16 1.630 -5.361 -7.097 337 HG22 THR 16 1HG2 THR 16 3.312 -5.474 -6.584 338 HG23 THR 16 2HG2 THR 16 2.894 -4.578 -8.044 339 H LYS 17 H LYS 17 3.809 -3.290 -3.447 340 HA LYS 17 HA LYS 17 2.720 -1.348 -1.579 341 HB2 LYS 17 2HB LYS 17 4.817 -2.805 -1.667 342 HB3 LYS 17 1HB LYS 17 5.606 -1.495 -2.487 343 HG2 LYS 17 2HG LYS 17 6.228 -1.423 -0.274 344 HG3 LYS 17 1HG LYS 17 5.010 -0.135 -0.396 345 HD2 LYS 17 2HD LYS 17 3.384 -1.507 0.675 346 HD3 LYS 17 1HD LYS 17 4.366 -2.956 0.463 347 HE2 LYS 17 2HE LYS 17 5.029 -0.609 2.239 348 HE3 LYS 17 1HE LYS 17 4.431 -2.178 2.777 349 HZ1 LYS 17 3HZ LYS 17 6.521 -3.149 1.689 350 HZ2 LYS 17 1HZ LYS 17 6.778 -2.196 3.049 351 HZ3 LYS 17 2HZ LYS 17 7.069 -1.569 1.558 352 H ARG 18 H ARG 18 4.140 -1.145 -4.732 353 HA ARG 18 HA ARG 18 4.257 1.682 -4.843 354 HB2 ARG 18 2HB ARG 18 4.341 -0.475 -6.926 355 HB3 ARG 18 1HB ARG 18 4.365 1.231 -7.348 356 HG2 ARG 18 2HG ARG 18 6.434 1.559 -6.196 357 HG3 ARG 18 1HG ARG 18 6.361 -0.061 -5.502 358 HD2 ARG 18 2HD ARG 18 6.477 0.447 -8.471 359 HD3 ARG 18 1HD ARG 18 7.914 0.237 -7.478 360 HE ARG 18 HE ARG 18 7.315 -1.991 -7.072 361 HH11 ARG 18 1HH1 ARG 18 5.105 -0.498 -9.391 362 HH12 ARG 18 2HH1 ARG 18 4.540 -1.982 -9.996 363 HH21 ARG 18 1HH2 ARG 18 6.584 -3.989 -7.945 364 HH22 ARG 18 2HH2 ARG 18 5.435 -4.014 -9.199 365 H SER 19 H SER 19 1.689 -0.597 -5.170 366 HA SER 19 HA SER 19 0.053 1.089 -6.781 367 HB2 SER 19 2HB SER 19 -1.638 -0.621 -6.583 368 HB3 SER 19 1HB SER 19 -0.100 -1.506 -6.458 369 HG SER 19 HG SER 19 -0.346 -1.698 -4.317 370 H LEU 20 H LEU 20 0.357 0.282 -3.369 371 HA LEU 20 HA LEU 20 -1.587 2.145 -2.312 372 HB2 LEU 20 2HB LEU 20 0.948 1.688 -0.817 373 HB3 LEU 20 1HB LEU 20 -0.673 1.853 -0.277 374 HG LEU 20 HG LEU 20 0.101 -0.692 -1.631 375 HD11 LEU 20 1HD1 LEU 20 1.697 -0.283 0.206 376 HD12 LEU 20 2HD1 LEU 20 0.579 -1.593 0.589 377 HD13 LEU 20 3HD1 LEU 20 0.346 0.003 1.302 378 HD21 LEU 20 3HD2 LEU 20 -1.949 0.083 0.434 379 HD22 LEU 20 1HD2 LEU 20 -1.663 -1.524 -0.241 380 HD23 LEU 20 2HD2 LEU 20 -2.246 -0.236 -1.290 381 H ALA 21 H ALA 21 1.701 2.332 -3.072 382 HA ALA 21 HA ALA 21 2.287 4.904 -2.187 383 HB1 ALA 21 1HB ALA 21 4.152 4.907 -3.676 384 HB2 ALA 21 2HB ALA 21 3.390 3.684 -4.687 385 HB3 ALA 21 3HB ALA 21 3.926 3.263 -3.065 386 H ARG 22 H ARG 22 0.706 3.955 -5.200 387 HA ARG 22 HA ARG 22 0.749 6.736 -6.051 388 HB2 ARG 22 2HB ARG 22 -0.294 5.982 -8.177 389 HB3 ARG 22 1HB ARG 22 1.254 5.239 -7.841 390 HG2 ARG 22 2HG ARG 22 0.196 3.182 -7.236 391 HG3 ARG 22 1HG ARG 22 -1.404 3.923 -7.342 392 HD2 ARG 22 2HD ARG 22 0.528 3.691 -9.646 393 HD3 ARG 22 1HD ARG 22 -0.798 2.566 -9.342 394 HE ARG 22 HE ARG 22 -2.176 4.770 -9.427 395 HH11 ARG 22 1HH1 ARG 22 0.545 4.010 -11.567 396 HH12 ARG 22 2HH1 ARG 22 -0.094 4.841 -12.893 397 HH21 ARG 22 1HH2 ARG 22 -3.044 5.879 -11.225 398 HH22 ARG 22 2HH2 ARG 22 -2.191 5.936 -12.716 399 H PHE 23 H PHE 23 -1.033 5.348 -3.947 400 HA PHE 23 HA PHE 23 -3.347 6.942 -4.730 401 HB2 PHE 23 2HB PHE 23 -3.379 4.291 -3.301 402 HB3 PHE 23 1HB PHE 23 -4.745 5.398 -3.235 403 HD1 PHE 23 2HD PHE 23 -5.873 6.056 -5.369 404 HD2 PHE 23 1HD PHE 23 -3.041 2.904 -5.174 405 HE1 PHE 23 2HE PHE 23 -6.701 5.178 -7.511 406 HE2 PHE 23 1HE PHE 23 -3.861 2.018 -7.309 407 HZ PHE 23 HZ PHE 23 -5.695 3.155 -8.482 408 H CYS 24 H CYS 24 -1.710 5.650 -1.966 409 HA CYS 24 HA CYS 24 -1.229 6.521 0.109 410 HB2 CYS 24 2HB CYS 24 -0.022 8.212 -1.201 411 HB3 CYS 24 1HB CYS 24 -1.492 9.145 -1.405 412 HN1 NH2 25 HT1 CYS 24 -3.254 5.656 0.898 413 HN2 NH2 25 HT2 CYS 24 -4.506 6.726 1.409 Start of MODEL 12 1 H1 ASP 1 1HT ASP 1 9.941 -2.016 2.206 2 H2 ASP 1 2HT ASP 1 10.217 -3.108 0.975 3 H3 ASP 1 3HT ASP 1 9.375 -1.700 0.644 4 HA ASP 1 HA ASP 1 11.350 -0.420 1.182 5 HB2 ASP 1 2HB ASP 1 12.634 -3.152 1.303 6 HB3 ASP 1 1HB ASP 1 13.507 -1.622 1.297 7 H SER 2 H SER 2 11.323 -3.383 -0.766 8 HA SER 2 HA SER 2 12.374 -1.887 -2.994 9 HB2 SER 2 2HB SER 2 12.166 -4.117 -4.169 10 HB3 SER 2 1HB SER 2 13.285 -3.986 -2.803 11 HG SER 2 HG SER 2 10.615 -4.874 -2.505 12 H TRP 3 H TRP 3 11.065 -0.627 -3.795 13 HA TRP 3 HA TRP 3 8.281 -0.633 -3.611 14 HB2 TRP 3 2HB TRP 3 9.914 0.894 -5.617 15 HB3 TRP 3 1HB TRP 3 8.256 1.245 -5.137 16 HD1 TRP 3 HD TRP 3 11.558 2.414 -4.502 17 HE1 TRP 3 1HE TRP 3 11.743 3.646 -2.237 18 HE3 TRP 3 3HE TRP 3 7.232 0.804 -2.373 19 HZ2 TRP 3 2HZ TRP 3 10.255 3.868 0.133 20 HZ3 TRP 3 3HZ TRP 3 6.680 1.532 -0.131 21 HH2 TRP 3 HH TRP 3 8.172 3.058 1.122 22 H MET 4 H MET 4 10.235 -1.641 -6.364 23 HA MET 4 HA MET 4 7.924 -1.914 -8.050 24 HB2 MET 4 2HB MET 4 10.778 -2.791 -8.494 25 HB3 MET 4 1HB MET 4 9.506 -2.944 -9.690 26 HG2 MET 4 2HG MET 4 9.231 -0.503 -9.695 27 HG3 MET 4 1HG MET 4 10.533 -0.366 -8.517 28 HE1 MET 4 3HE MET 4 12.633 -2.566 -9.556 29 HE2 MET 4 1HE MET 4 13.090 -0.938 -9.050 30 HE3 MET 4 2HE MET 4 13.648 -1.573 -10.597 31 H GLU 5 H GLU 5 9.121 -3.843 -5.636 32 HA GLU 5 HA GLU 5 8.046 -6.249 -6.939 33 HB2 GLU 5 2HB GLU 5 10.224 -6.044 -4.880 34 HB3 GLU 5 1HB GLU 5 9.518 -7.556 -5.438 35 HG2 GLU 5 2HG GLU 5 10.256 -7.087 -7.699 36 HG3 GLU 5 1HG GLU 5 10.930 -5.548 -7.171 37 H GLU 6 H GLU 6 7.720 -4.159 -4.234 38 HA GLU 6 HA GLU 6 6.676 -5.956 -2.411 39 HB2 GLU 6 2HB GLU 6 6.566 -3.018 -2.634 40 HB3 GLU 6 1HB GLU 6 5.590 -3.834 -1.436 41 HG2 GLU 6 2HG GLU 6 7.713 -4.895 -0.623 42 HG3 GLU 6 1HG GLU 6 8.569 -3.777 -1.694 43 H VAL 7 H VAL 7 5.083 -6.931 -2.378 44 HA VAL 7 HA VAL 7 2.482 -5.831 -3.026 45 HB VAL 7 HB VAL 7 2.898 -7.325 -4.931 46 HG11 VAL 7 1HG1 VAL 7 4.680 -8.678 -4.003 47 HG12 VAL 7 2HG1 VAL 7 3.417 -9.686 -4.701 48 HG13 VAL 7 3HG1 VAL 7 3.528 -9.499 -2.947 49 HG21 VAL 7 3HG2 VAL 7 1.057 -8.662 -2.940 50 HG22 VAL 7 1HG2 VAL 7 1.072 -8.968 -4.677 51 HG23 VAL 7 2HG2 VAL 7 0.629 -7.377 -4.059 52 H ILE 8 H ILE 8 1.488 -5.683 -1.192 53 HA ILE 8 HA ILE 8 2.233 -7.649 0.765 54 HB ILE 8 HB ILE 8 1.949 -5.691 2.510 55 HG12 ILE 8 2HG1 ILE 8 3.095 -3.654 1.686 56 HG13 ILE 8 1HG1 ILE 8 3.003 -4.313 0.051 57 HG21 ILE 8 1HG2 ILE 8 3.863 -7.125 2.355 58 HG22 ILE 8 2HG2 ILE 8 4.403 -5.448 2.478 59 HG23 ILE 8 3HG2 ILE 8 4.434 -6.273 0.922 60 HD11 ILE 8 3HD1 ILE 8 0.718 -3.441 1.797 61 HD12 ILE 8 1HD1 ILE 8 0.543 -4.192 0.206 62 HD13 ILE 8 2HD1 ILE 8 1.333 -2.625 0.363 63 H LYS 9 H LYS 9 0.961 -7.283 2.811 64 HA LYS 9 HA LYS 9 -1.848 -7.651 2.026 65 HB2 LYS 9 2HB LYS 9 -0.615 -9.770 2.328 66 HB3 LYS 9 1HB LYS 9 -0.210 -9.283 3.965 67 HG2 LYS 9 2HG LYS 9 -1.987 -10.848 4.069 68 HG3 LYS 9 1HG LYS 9 -2.644 -9.262 4.476 69 HD2 LYS 9 2HD LYS 9 -3.571 -9.034 2.266 70 HD3 LYS 9 1HD LYS 9 -2.803 -10.536 1.747 71 HE2 LYS 9 2HE LYS 9 -4.930 -10.237 3.859 72 HE3 LYS 9 1HE LYS 9 -5.149 -10.900 2.241 73 HZ1 LYS 9 3HZ LYS 9 -4.938 -12.640 3.868 74 HZ2 LYS 9 1HZ LYS 9 -3.451 -12.070 4.384 75 HZ3 LYS 9 2HZ LYS 9 -3.622 -12.707 2.833 76 H LEU 10 H LEU 10 -3.121 -6.342 3.296 77 HA LEU 10 HA LEU 10 -2.704 -5.830 6.030 78 HB2 LEU 10 2HB LEU 10 -2.438 -3.412 5.865 79 HB3 LEU 10 1HB LEU 10 -0.942 -4.072 5.497 80 HG LEU 10 HG LEU 10 -2.852 -2.581 3.998 81 HD11 LEU 10 1HD1 LEU 10 0.179 -2.717 3.986 82 HD12 LEU 10 2HD1 LEU 10 -0.766 -1.661 5.010 83 HD13 LEU 10 3HD1 LEU 10 -0.761 -1.419 3.254 84 HD21 LEU 10 3HD2 LEU 10 -2.637 -4.484 2.561 85 HD22 LEU 10 1HD2 LEU 10 -0.892 -4.344 2.537 86 HD23 LEU 10 2HD2 LEU 10 -1.884 -3.082 1.775 87 H CYS 11 H CYS 11 -4.149 -4.012 6.685 88 HA CYS 11 HA CYS 11 -6.495 -3.536 5.074 89 HB2 CYS 11 2HB CYS 11 -6.737 -5.122 7.610 90 HB3 CYS 11 1HB CYS 11 -8.078 -4.558 6.635 91 H GLY 12 H GLY 12 -7.969 -2.118 6.295 92 HA2 GLY 12 2HA GLY 12 -8.368 -0.258 7.554 93 HA3 GLY 12 1HA GLY 12 -7.826 -1.282 8.858 94 H ARG 13 H ARG 13 -6.540 -0.348 10.029 95 HA ARG 13 HA ARG 13 -5.210 2.093 9.467 96 HB2 ARG 13 2HB ARG 13 -4.953 0.180 11.774 97 HB3 ARG 13 1HB ARG 13 -4.202 1.771 11.723 98 HG2 ARG 13 2HG ARG 13 -6.344 2.842 11.658 99 HG3 ARG 13 1HG ARG 13 -7.161 1.288 11.497 100 HD2 ARG 13 2HD ARG 13 -7.268 2.191 13.798 101 HD3 ARG 13 1HD ARG 13 -6.456 0.637 13.700 102 HE ARG 13 HE ARG 13 -4.349 1.852 13.814 103 HH11 ARG 13 1HH1 ARG 13 -7.199 3.663 14.891 104 HH12 ARG 13 2HH1 ARG 13 -6.348 4.506 16.106 105 HH21 ARG 13 1HH2 ARG 13 -3.209 3.031 15.445 106 HH22 ARG 13 2HH2 ARG 13 -4.035 4.165 16.418 107 H GLU 14 H GLU 14 -4.228 -1.239 9.383 108 HA GLU 14 HA GLU 14 -1.414 -0.840 9.213 109 HB2 GLU 14 2HB GLU 14 -3.232 -3.043 8.274 110 HB3 GLU 14 1HB GLU 14 -1.489 -3.107 8.091 111 HG2 GLU 14 2HG GLU 14 -2.883 -2.776 10.738 112 HG3 GLU 14 1HG GLU 14 -2.423 -4.340 10.063 113 H LEU 15 H LEU 15 -4.034 -0.806 6.873 114 HA LEU 15 HA LEU 15 -2.472 -0.875 4.578 115 HB2 LEU 15 2HB LEU 15 -5.115 0.558 5.041 116 HB3 LEU 15 1HB LEU 15 -4.352 0.542 3.477 117 HG LEU 15 HG LEU 15 -5.099 -2.052 4.796 118 HD11 LEU 15 1HD1 LEU 15 -7.076 -0.576 4.900 119 HD12 LEU 15 2HD1 LEU 15 -7.286 -1.853 3.710 120 HD13 LEU 15 3HD1 LEU 15 -6.894 -0.214 3.180 121 HD21 LEU 15 3HD2 LEU 15 -3.770 -1.840 2.600 122 HD22 LEU 15 1HD2 LEU 15 -5.261 -1.208 1.928 123 HD23 LEU 15 2HD2 LEU 15 -5.219 -2.849 2.604 124 H VAL 16 H VAL 16 -3.701 1.666 6.628 125 HA VAL 16 HA VAL 16 -2.759 3.957 5.207 126 HB VAL 16 HB VAL 16 -3.390 3.737 8.170 127 HG11 VAL 16 1HG1 VAL 16 -2.236 5.802 7.586 128 HG12 VAL 16 2HG1 VAL 16 -3.916 6.117 8.031 129 HG13 VAL 16 3HG1 VAL 16 -3.439 6.120 6.335 130 HG21 VAL 16 3HG2 VAL 16 -5.242 4.364 5.877 131 HG22 VAL 16 1HG2 VAL 16 -5.653 4.479 7.588 132 HG23 VAL 16 2HG2 VAL 16 -5.266 2.911 6.878 133 H ARG 17 H ARG 17 -1.441 2.077 7.846 134 HA ARG 17 HA ARG 17 0.804 3.594 8.379 135 HB2 ARG 17 2HB ARG 17 0.156 0.730 8.678 136 HB3 ARG 17 1HB ARG 17 1.808 1.208 8.963 137 HG2 ARG 17 2HG ARG 17 0.955 2.849 10.641 138 HG3 ARG 17 1HG ARG 17 -0.657 2.162 10.395 139 HD2 ARG 17 2HD ARG 17 0.090 0.009 11.106 140 HD3 ARG 17 1HD ARG 17 1.759 0.563 11.167 141 HE ARG 17 HE ARG 17 0.493 2.206 12.869 142 HH11 ARG 17 1HH1 ARG 17 0.376 -1.316 12.585 143 HH12 ARG 17 2HH1 ARG 17 0.455 -1.600 14.260 144 HH21 ARG 17 1HH2 ARG 17 0.556 1.844 15.138 145 HH22 ARG 17 2HH2 ARG 17 0.586 0.264 15.769 146 H ALA 18 H ALA 18 0.447 1.052 6.022 147 HA ALA 18 HA ALA 18 3.137 1.255 5.117 148 HB1 ALA 18 1HB ALA 18 1.809 -0.755 4.697 149 HB2 ALA 18 2HB ALA 18 2.450 -0.075 3.199 150 HB3 ALA 18 3HB ALA 18 0.759 0.172 3.629 151 H GLN 19 H GLN 19 0.089 2.633 4.011 152 HA GLN 19 HA GLN 19 0.832 3.933 1.704 153 HB2 GLN 19 2HB GLN 19 -1.057 4.561 3.900 154 HB3 GLN 19 1HB GLN 19 -0.969 5.673 2.573 155 HG2 GLN 19 2HG GLN 19 -1.498 3.800 1.070 156 HG3 GLN 19 1HG GLN 19 -1.656 2.739 2.481 157 HE21 GLN 19 1HE2 GLN 19 -3.584 3.330 0.478 158 HE22 GLN 19 2HE2 GLN 19 -4.924 4.083 1.272 159 H ILE 20 H ILE 20 0.748 5.291 4.956 160 HA ILE 20 HA ILE 20 1.976 7.744 4.467 161 HB ILE 20 HB ILE 20 1.992 6.104 7.020 162 HG12 ILE 20 2HG1 ILE 20 0.219 8.399 6.149 163 HG13 ILE 20 1HG1 ILE 20 -0.241 6.701 6.157 164 HG21 ILE 20 1HG2 ILE 20 3.780 7.770 7.098 165 HG22 ILE 20 2HG2 ILE 20 2.477 8.204 8.204 166 HG23 ILE 20 3HG2 ILE 20 2.632 9.036 6.658 167 HD11 ILE 20 3HD1 ILE 20 -1.144 7.881 8.076 168 HD12 ILE 20 1HD1 ILE 20 0.485 8.342 8.572 169 HD13 ILE 20 2HD1 ILE 20 0.010 6.643 8.574 170 H ALA 21 H ALA 21 3.404 4.645 5.331 171 HA ALA 21 HA ALA 21 6.047 5.577 5.636 172 HB1 ALA 21 1HB ALA 21 5.109 2.784 5.005 173 HB2 ALA 21 2HB ALA 21 5.252 3.477 6.620 174 HB3 ALA 21 3HB ALA 21 6.694 3.237 5.632 175 H ILE 22 H ILE 22 4.206 4.929 2.827 176 HA ILE 22 HA ILE 22 6.507 4.530 1.088 177 HB ILE 22 HB ILE 22 3.649 5.182 0.305 178 HG12 ILE 22 2HG1 ILE 22 4.979 2.485 0.306 179 HG13 ILE 22 1HG1 ILE 22 3.943 3.047 1.616 180 HG21 ILE 22 1HG2 ILE 22 4.308 4.274 -1.881 181 HG22 ILE 22 2HG2 ILE 22 5.950 4.033 -1.285 182 HG23 ILE 22 3HG2 ILE 22 5.296 5.665 -1.434 183 HD11 ILE 22 3HD1 ILE 22 2.725 1.612 0.105 184 HD12 ILE 22 1HD1 ILE 22 3.143 2.653 -1.255 185 HD13 ILE 22 2HD1 ILE 22 2.096 3.258 0.027 186 H CYS 23 H CYS 23 4.023 7.028 1.472 187 HA CYS 23 HA CYS 23 5.458 8.773 -0.270 188 HB2 CYS 23 2HB CYS 23 2.989 8.997 1.329 189 HB3 CYS 23 1HB CYS 23 3.763 10.463 0.738 190 H GLY 24 H GLY 24 5.463 8.261 3.050 191 HA2 GLY 24 2HA GLY 24 6.782 10.588 3.925 192 HA3 GLY 24 1HA GLY 24 6.903 9.006 4.684 193 H MET 25 H MET 25 7.900 7.855 2.091 194 HA MET 25 HA MET 25 10.424 9.158 1.734 195 HB2 MET 25 2HB MET 25 11.739 7.072 2.089 196 HB3 MET 25 1HB MET 25 11.031 7.709 3.570 197 HG2 MET 25 2HG MET 25 9.293 5.993 3.449 198 HG3 MET 25 1HG MET 25 10.005 5.380 1.960 199 HE1 MET 25 3HE MET 25 13.476 4.033 3.229 200 HE2 MET 25 1HE MET 25 13.166 5.664 2.638 201 HE3 MET 25 2HE MET 25 12.435 4.281 1.829 202 H SER 26 H SER 26 9.038 9.467 -0.185 203 HA SER 26 HA SER 26 8.746 7.167 -1.857 204 HB2 SER 26 2HB SER 26 7.752 8.933 -3.441 205 HB3 SER 26 1HB SER 26 6.894 8.552 -1.945 206 HG SER 26 HG SER 26 8.780 10.640 -1.990 207 H THR 27 H THR 27 11.032 6.908 -1.721 208 HA THR 27 HA THR 27 12.327 7.967 -4.046 209 HB THR 27 HB THR 27 14.445 7.906 -2.488 210 HG1 THR 27 1HG THR 27 12.932 8.941 -0.488 211 HG21 THR 27 3HG2 THR 27 14.177 10.314 -1.969 212 HG22 THR 27 1HG2 THR 27 12.462 10.191 -2.355 213 HG23 THR 27 2HG2 THR 27 13.671 9.947 -3.617 214 H TRP 28 H TRP 28 13.516 6.440 -4.943 215 HA TRP 28 HA TRP 28 12.933 3.731 -4.170 216 HB2 TRP 28 2HB TRP 28 12.961 4.446 -6.575 217 HB3 TRP 28 1HB TRP 28 14.705 4.626 -6.455 218 HD1 TRP 28 HD TRP 28 11.984 1.907 -6.464 219 HE1 TRP 28 1HE TRP 28 13.056 -0.322 -7.131 220 HE3 TRP 28 3HE TRP 28 16.881 3.369 -6.609 221 HZ2 TRP 28 2HZ TRP 28 15.627 -1.337 -7.677 222 HZ3 TRP 28 3HZ TRP 28 18.587 1.704 -7.223 223 HH2 TRP 28 HH TRP 28 17.971 -0.600 -7.745 224 H SER 29 H SER 29 15.202 5.771 -3.514 225 HA SER 29 HA SER 29 16.943 3.697 -2.386 226 HB2 SER 29 2HB SER 29 18.103 4.974 -4.164 227 HB3 SER 29 1HB SER 29 17.748 6.474 -3.318 228 HG SER 29 HG SER 29 19.634 4.518 -2.796 229 HN1 NH2 30 HT1 SER 29 15.604 3.672 -0.569 230 HN2 NH2 30 HT2 SER 29 15.545 4.969 0.577 231 HA PCA 1 HA PCA 1 -12.997 3.640 -7.412 232 HB2 PCA 1 2HB PCA 1 -13.656 0.917 -7.835 233 HB3 PCA 1 1HB PCA 1 -14.788 2.297 -7.909 234 HG2 PCA 1 2HG PCA 1 -13.797 0.664 -10.092 235 HG3 PCA 1 1HG PCA 1 -14.948 2.043 -10.173 236 H LEU 2 H LEU 2 -10.422 3.332 -8.423 237 HA LEU 2 HA LEU 2 -9.205 0.839 -7.525 238 HB2 LEU 2 2HB LEU 2 -8.308 2.180 -9.427 239 HB3 LEU 2 1HB LEU 2 -7.869 3.428 -8.287 240 HG LEU 2 HG LEU 2 -6.310 1.830 -7.191 241 HD11 LEU 2 1HD1 LEU 2 -5.726 -0.243 -8.361 242 HD12 LEU 2 2HD1 LEU 2 -7.075 0.012 -9.470 243 HD13 LEU 2 3HD1 LEU 2 -7.379 -0.261 -7.755 244 HD21 LEU 2 3HD2 LEU 2 -5.889 2.220 -10.155 245 HD22 LEU 2 1HD2 LEU 2 -4.631 1.841 -8.979 246 HD23 LEU 2 2HD2 LEU 2 -5.490 3.378 -8.886 247 H TYR 3 H TYR 3 -9.848 3.799 -5.896 248 HA TYR 3 HA TYR 3 -7.983 2.916 -3.931 249 HB2 TYR 3 2HB TYR 3 -8.459 5.369 -4.210 250 HB3 TYR 3 1HB TYR 3 -10.052 5.084 -3.486 251 HD1 TYR 3 1HD TYR 3 -6.598 4.013 -2.864 252 HD2 TYR 3 2HD TYR 3 -10.155 5.606 -1.228 253 HE1 TYR 3 1HE TYR 3 -5.575 3.943 -0.756 254 HE2 TYR 3 2HE TYR 3 -9.137 5.586 1.003 255 HH TYR 3 HH TYR 3 -7.344 4.278 2.124 256 H SER 4 H SER 4 -11.441 2.781 -4.371 257 HA SER 4 HA SER 4 -12.055 1.613 -1.912 258 HB2 SER 4 2HB SER 4 -13.425 1.242 -4.584 259 HB3 SER 4 1HB SER 4 -14.136 0.909 -3.002 260 HG SER 4 HG SER 4 -14.697 2.949 -3.882 261 H ALA 5 H ALA 5 -11.227 0.243 -5.063 262 HA ALA 5 HA ALA 5 -11.436 -2.461 -4.356 263 HB1 ALA 5 1HB ALA 5 -10.239 -2.921 -6.406 264 HB2 ALA 5 2HB ALA 5 -9.722 -1.237 -6.505 265 HB3 ALA 5 3HB ALA 5 -11.431 -1.646 -6.666 266 H LEU 6 H LEU 6 -8.657 -0.258 -4.367 267 HA LEU 6 HA LEU 6 -6.563 -1.925 -3.858 268 HB2 LEU 6 2HB LEU 6 -6.225 0.418 -4.209 269 HB3 LEU 6 1HB LEU 6 -7.132 0.826 -2.773 270 HG LEU 6 HG LEU 6 -5.318 -0.184 -1.394 271 HD11 LEU 6 1HD1 LEU 6 -3.883 -0.367 -4.019 272 HD12 LEU 6 2HD1 LEU 6 -4.401 -1.714 -3.008 273 HD13 LEU 6 3HD1 LEU 6 -3.155 -0.609 -2.434 274 HD21 LEU 6 3HD2 LEU 6 -5.422 2.206 -1.818 275 HD22 LEU 6 1HD2 LEU 6 -4.449 2.000 -3.272 276 HD23 LEU 6 2HD2 LEU 6 -3.753 1.651 -1.686 277 H ALA 7 H ALA 7 -8.520 -0.353 -1.350 278 HA ALA 7 HA ALA 7 -7.239 -1.463 0.856 279 HB1 ALA 7 1HB ALA 7 -9.223 -0.874 2.136 280 HB2 ALA 7 2HB ALA 7 -10.135 -0.677 0.640 281 HB3 ALA 7 3HB ALA 7 -8.794 0.412 1.007 282 H ASN 8 H ASN 8 -10.007 -2.630 -0.954 283 HA ASN 8 HA ASN 8 -10.435 -4.882 0.743 284 HB2 ASN 8 2HB ASN 8 -11.480 -4.248 -2.024 285 HB3 ASN 8 1HB ASN 8 -11.973 -5.653 -1.085 286 HD21 ASN 8 1HD2 ASN 8 -13.576 -3.350 -2.047 287 HD22 ASN 8 2HD2 ASN 8 -14.277 -2.690 -0.622 288 H LYS 9 H LYS 9 -8.661 -4.314 -2.184 289 HA LYS 9 HA LYS 9 -8.231 -7.038 -2.902 290 HB2 LYS 9 2HB LYS 9 -7.974 -4.915 -4.397 291 HB3 LYS 9 1HB LYS 9 -6.478 -4.688 -3.552 292 HG2 LYS 9 2HG LYS 9 -5.600 -6.786 -4.376 293 HG3 LYS 9 1HG LYS 9 -7.116 -7.095 -5.228 294 HD2 LYS 9 2HD LYS 9 -6.803 -5.030 -6.516 295 HD3 LYS 9 1HD LYS 9 -5.271 -4.755 -5.692 296 HE2 LYS 9 2HE LYS 9 -4.864 -5.714 -7.861 297 HE3 LYS 9 1HE LYS 9 -4.427 -6.879 -6.615 298 HZ1 LYS 9 3HZ LYS 9 -6.953 -6.896 -8.190 299 HZ2 LYS 9 1HZ LYS 9 -6.535 -8.018 -7.003 300 HZ3 LYS 9 2HZ LYS 9 -5.648 -7.927 -8.412 301 H CYS 10 H CYS 10 -6.135 -4.632 -1.367 302 HA CYS 10 HA CYS 10 -4.138 -6.513 -0.799 303 HB2 CYS 10 2HB CYS 10 -4.687 -3.728 0.161 304 HB3 CYS 10 1HB CYS 10 -3.438 -4.724 0.909 305 H CYS 11 H CYS 11 -7.119 -5.779 0.772 306 HA CYS 11 HA CYS 11 -6.320 -6.837 3.314 307 HB2 CYS 11 2HB CYS 11 -8.174 -5.103 2.937 308 HB3 CYS 11 1HB CYS 11 -9.148 -6.436 2.351 309 H HIS 12 H HIS 12 -7.941 -8.039 0.423 310 HA HIS 12 HA HIS 12 -8.494 -10.552 1.752 311 HB2 HIS 12 2HB HIS 12 -9.198 -9.441 -0.927 312 HB3 HIS 12 1HB HIS 12 -9.408 -11.151 -0.608 313 HD1 HIS 12 1HD HIS 12 -11.579 -11.788 0.648 314 HD2 HIS 12 2HD HIS 12 -10.757 -7.711 0.724 315 HE1 HIS 12 1HE HIS 12 -13.604 -10.688 1.644 316 H VAL 13 H VAL 13 -6.699 -9.548 -1.111 317 HA VAL 13 HA VAL 13 -5.298 -12.104 -0.902 318 HB VAL 13 HB VAL 13 -4.689 -11.796 -3.301 319 HG11 VAL 13 1HG1 VAL 13 -7.641 -11.964 -2.630 320 HG12 VAL 13 2HG1 VAL 13 -6.500 -13.307 -2.601 321 HG13 VAL 13 3HG1 VAL 13 -6.922 -12.540 -4.135 322 HG21 VAL 13 3HG2 VAL 13 -5.106 -9.418 -3.579 323 HG22 VAL 13 1HG2 VAL 13 -6.821 -9.654 -3.240 324 HG23 VAL 13 2HG2 VAL 13 -6.107 -10.335 -4.703 325 H GLY 14 H GLY 14 -4.766 -8.786 -1.728 326 HA2 GLY 14 2HA GLY 14 -2.798 -7.759 -0.468 327 HA3 GLY 14 1HA GLY 14 -1.889 -9.088 -1.080 328 H CYS 15 H CYS 15 -1.517 -6.249 -1.642 329 HA CYS 15 HA CYS 15 -1.351 -6.511 -4.417 330 HB2 CYS 15 2HB CYS 15 -2.607 -4.357 -4.989 331 HB3 CYS 15 1HB CYS 15 -3.546 -5.769 -4.543 332 H THR 16 H THR 16 -0.392 -4.456 -5.485 333 HA THR 16 HA THR 16 2.062 -4.396 -4.255 334 HB THR 16 HB THR 16 2.694 -2.777 -6.061 335 HG1 THR 16 1HG THR 16 0.239 -3.445 -7.263 336 HG21 THR 16 3HG2 THR 16 2.594 -4.492 -7.822 337 HG22 THR 16 1HG2 THR 16 1.424 -5.401 -6.864 338 HG23 THR 16 2HG2 THR 16 3.069 -5.179 -6.270 339 H LYS 17 H LYS 17 3.238 -3.008 -3.480 340 HA LYS 17 HA LYS 17 2.267 -1.023 -1.654 341 HB2 LYS 17 2HB LYS 17 4.394 -2.386 -1.667 342 HB3 LYS 17 1HB LYS 17 5.062 -1.277 -2.827 343 HG2 LYS 17 2HG LYS 17 5.910 -0.742 -0.785 344 HG3 LYS 17 1HG LYS 17 4.681 0.517 -1.066 345 HD2 LYS 17 2HD LYS 17 3.160 -0.653 0.426 346 HD3 LYS 17 1HD LYS 17 4.290 -2.003 0.563 347 HE2 LYS 17 2HE LYS 17 4.714 0.814 1.554 348 HE3 LYS 17 1HE LYS 17 4.450 -0.625 2.533 349 HZ1 LYS 17 3HZ LYS 17 6.813 -0.122 0.798 350 HZ2 LYS 17 1HZ LYS 17 6.543 -1.538 1.639 351 HZ3 LYS 17 2HZ LYS 17 6.799 -0.093 2.465 352 H ARG 18 H ARG 18 3.430 -1.000 -4.923 353 HA ARG 18 HA ARG 18 3.536 1.788 -5.340 354 HB2 ARG 18 2HB ARG 18 3.073 -0.494 -7.250 355 HB3 ARG 18 1HB ARG 18 3.302 1.176 -7.743 356 HG2 ARG 18 2HG ARG 18 5.314 -0.457 -6.206 357 HG3 ARG 18 1HG ARG 18 5.348 -0.184 -7.948 358 HD2 ARG 18 2HD ARG 18 5.538 1.939 -5.804 359 HD3 ARG 18 1HD ARG 18 6.854 1.346 -6.811 360 HE ARG 18 HE ARG 18 4.967 2.160 -8.583 361 HH11 ARG 18 1HH1 ARG 18 6.774 3.820 -5.976 362 HH12 ARG 18 2HH1 ARG 18 6.652 5.331 -6.696 363 HH21 ARG 18 1HH2 ARG 18 4.844 4.236 -9.548 364 HH22 ARG 18 2HH2 ARG 18 5.514 5.603 -8.785 365 H SER 19 H SER 19 0.928 -0.487 -5.221 366 HA SER 19 HA SER 19 -0.925 1.125 -6.622 367 HB2 SER 19 2HB SER 19 -1.064 -1.293 -6.579 368 HB3 SER 19 1HB SER 19 -1.318 -1.338 -4.861 369 HG SER 19 HG SER 19 -3.204 0.192 -5.531 370 H LEU 20 H LEU 20 -0.028 0.590 -3.285 371 HA LEU 20 HA LEU 20 -1.984 2.633 -2.350 372 HB2 LEU 20 2HB LEU 20 0.327 1.819 -0.524 373 HB3 LEU 20 1HB LEU 20 -1.216 2.467 -0.207 374 HG LEU 20 HG LEU 20 -2.312 0.365 -0.848 375 HD11 LEU 20 1HD1 LEU 20 -0.563 -0.703 -2.111 376 HD12 LEU 20 2HD1 LEU 20 -1.031 -1.698 -0.733 377 HD13 LEU 20 3HD1 LEU 20 0.458 -0.754 -0.673 378 HD21 LEU 20 3HD2 LEU 20 -0.430 0.327 1.485 379 HD22 LEU 20 1HD2 LEU 20 -1.823 -0.738 1.288 380 HD23 LEU 20 2HD2 LEU 20 -2.068 1.000 1.452 381 H ALA 21 H ALA 21 1.223 2.512 -3.274 382 HA ALA 21 HA ALA 21 2.194 4.988 -2.393 383 HB1 ALA 21 1HB ALA 21 3.834 4.905 -4.158 384 HB2 ALA 21 2HB ALA 21 2.835 3.787 -5.073 385 HB3 ALA 21 3HB ALA 21 3.567 3.264 -3.558 386 H ARG 22 H ARG 22 0.305 4.296 -5.241 387 HA ARG 22 HA ARG 22 0.402 6.991 -6.218 388 HB2 ARG 22 2HB ARG 22 -1.161 6.215 -7.950 389 HB3 ARG 22 1HB ARG 22 0.223 5.149 -7.783 390 HG2 ARG 22 2HG ARG 22 -1.222 3.673 -6.352 391 HG3 ARG 22 1HG ARG 22 -2.586 4.682 -6.830 392 HD2 ARG 22 2HD ARG 22 -2.460 2.710 -8.229 393 HD3 ARG 22 1HD ARG 22 -2.127 4.151 -9.187 394 HE ARG 22 HE ARG 22 0.298 3.556 -8.816 395 HH11 ARG 22 1HH1 ARG 22 -2.204 1.042 -8.932 396 HH12 ARG 22 2HH1 ARG 22 -1.162 -0.158 -9.512 397 HH21 ARG 22 1HH2 ARG 22 1.729 1.893 -9.602 398 HH22 ARG 22 2HH2 ARG 22 1.119 0.324 -9.898 399 H PHE 23 H PHE 23 -1.004 6.020 -3.572 400 HA PHE 23 HA PHE 23 -3.140 7.996 -3.815 401 HB2 PHE 23 2HB PHE 23 -3.366 5.332 -2.412 402 HB3 PHE 23 1HB PHE 23 -4.488 6.660 -2.157 403 HD1 PHE 23 2HD PHE 23 -5.812 7.504 -4.119 404 HD2 PHE 23 1HD PHE 23 -3.615 3.872 -4.211 405 HE1 PHE 23 2HE PHE 23 -7.146 6.752 -6.041 406 HE2 PHE 23 1HE PHE 23 -4.940 3.111 -6.128 407 HZ PHE 23 HZ PHE 23 -6.712 4.553 -7.045 408 H CYS 24 H CYS 24 -1.608 6.048 -1.392 409 HA CYS 24 HA CYS 24 -0.732 6.463 0.644 410 HB2 CYS 24 2HB CYS 24 -0.123 9.180 -0.518 411 HB3 CYS 24 1HB CYS 24 0.470 8.630 1.045 412 HN1 NH2 25 HT1 CYS 24 -2.177 9.652 0.108 413 HN2 NH2 25 HT2 CYS 24 -3.182 9.604 1.509 Start of MODEL 13 1 H1 ASP 1 1HT ASP 1 11.903 4.853 -7.277 2 H2 ASP 1 2HT ASP 1 12.888 3.565 -7.604 3 H3 ASP 1 3HT ASP 1 12.089 3.633 -6.138 4 HA ASP 1 HA ASP 1 9.932 3.450 -7.311 5 HB2 ASP 1 2HB ASP 1 11.727 3.041 -9.718 6 HB3 ASP 1 1HB ASP 1 10.014 2.721 -9.715 7 H SER 2 H SER 2 12.940 1.646 -7.414 8 HA SER 2 HA SER 2 11.875 -0.828 -8.100 9 HB2 SER 2 2HB SER 2 14.323 -0.260 -6.435 10 HB3 SER 2 1HB SER 2 13.983 -1.776 -7.266 11 HG SER 2 HG SER 2 15.260 0.228 -8.220 12 H TRP 3 H TRP 3 11.759 0.746 -5.292 13 HA TRP 3 HA TRP 3 11.188 -1.478 -3.553 14 HB2 TRP 3 2HB TRP 3 10.421 0.316 -1.896 15 HB3 TRP 3 1HB TRP 3 12.103 0.363 -2.401 16 HD1 TRP 3 HD TRP 3 12.954 2.554 -3.495 17 HE1 TRP 3 1HE TRP 3 11.892 4.816 -4.103 18 HE3 TRP 3 3HE TRP 3 8.036 1.393 -2.712 19 HZ2 TRP 3 2HZ TRP 3 9.321 5.944 -4.240 20 HZ3 TRP 3 3HZ TRP 3 6.368 3.076 -3.137 21 HH2 TRP 3 HH TRP 3 6.976 5.340 -3.865 22 H MET 4 H MET 4 9.343 0.147 -5.859 23 HA MET 4 HA MET 4 6.806 -0.030 -4.542 24 HB2 MET 4 2HB MET 4 7.395 0.328 -7.475 25 HB3 MET 4 1HB MET 4 5.822 0.392 -6.689 26 HG2 MET 4 2HG MET 4 6.580 2.328 -5.383 27 HG3 MET 4 1HG MET 4 8.103 2.294 -6.267 28 HE1 MET 4 3HE MET 4 7.013 1.473 -9.222 29 HE2 MET 4 1HE MET 4 8.267 2.665 -8.877 30 HE3 MET 4 2HE MET 4 6.913 3.091 -9.920 31 H GLU 5 H GLU 5 8.760 -2.147 -6.414 32 HA GLU 5 HA GLU 5 6.528 -3.870 -6.901 33 HB2 GLU 5 2HB GLU 5 9.431 -4.131 -7.674 34 HB3 GLU 5 1HB GLU 5 8.224 -5.376 -7.994 35 HG2 GLU 5 2HG GLU 5 6.921 -3.785 -9.305 36 HG3 GLU 5 1HG GLU 5 8.113 -2.539 -8.974 37 H GLU 6 H GLU 6 5.981 -4.055 -4.886 38 HA GLU 6 HA GLU 6 7.175 -6.249 -3.408 39 HB2 GLU 6 2HB GLU 6 7.836 -3.844 -2.472 40 HB3 GLU 6 1HB GLU 6 6.122 -3.774 -2.159 41 HG2 GLU 6 2HG GLU 6 6.171 -5.594 -0.643 42 HG3 GLU 6 1HG GLU 6 7.886 -5.856 -0.939 43 H VAL 7 H VAL 7 5.463 -7.039 -2.050 44 HA VAL 7 HA VAL 7 2.796 -6.088 -2.476 45 HB VAL 7 HB VAL 7 2.974 -7.424 -4.492 46 HG11 VAL 7 1HG1 VAL 7 4.836 -8.842 -3.948 47 HG12 VAL 7 2HG1 VAL 7 3.473 -9.833 -4.475 48 HG13 VAL 7 3HG1 VAL 7 3.865 -9.707 -2.758 49 HG21 VAL 7 3HG2 VAL 7 1.186 -9.097 -4.160 50 HG22 VAL 7 1HG2 VAL 7 0.818 -7.561 -3.374 51 HG23 VAL 7 2HG2 VAL 7 1.376 -8.927 -2.414 52 H ILE 8 H ILE 8 1.751 -6.246 -0.662 53 HA ILE 8 HA ILE 8 2.313 -8.442 1.167 54 HB ILE 8 HB ILE 8 2.327 -6.898 3.121 55 HG12 ILE 8 2HG1 ILE 8 2.535 -4.756 1.016 56 HG13 ILE 8 1HG1 ILE 8 1.185 -5.010 2.095 57 HG21 ILE 8 1HG2 ILE 8 4.443 -7.739 2.321 58 HG22 ILE 8 2HG2 ILE 8 4.635 -6.080 2.889 59 HG23 ILE 8 3HG2 ILE 8 4.562 -6.416 1.160 60 HD11 ILE 8 3HD1 ILE 8 3.955 -4.166 2.943 61 HD12 ILE 8 1HD1 ILE 8 2.584 -4.433 4.022 62 HD13 ILE 8 2HD1 ILE 8 2.536 -3.122 2.844 63 H LYS 9 H LYS 9 0.738 -8.232 3.032 64 HA LYS 9 HA LYS 9 -1.896 -7.463 1.982 65 HB2 LYS 9 2HB LYS 9 -1.590 -9.936 2.119 66 HB3 LYS 9 1HB LYS 9 -1.284 -9.771 3.844 67 HG2 LYS 9 2HG LYS 9 -3.549 -8.904 4.166 68 HG3 LYS 9 1HG LYS 9 -3.854 -9.049 2.438 69 HD2 LYS 9 2HD LYS 9 -4.840 -10.933 3.557 70 HD3 LYS 9 1HD LYS 9 -3.447 -11.491 2.633 71 HE2 LYS 9 2HE LYS 9 -3.522 -12.532 4.822 72 HE3 LYS 9 1HE LYS 9 -2.094 -11.512 4.671 73 HZ1 LYS 9 3HZ LYS 9 -3.222 -11.264 6.825 74 HZ2 LYS 9 1HZ LYS 9 -4.614 -10.752 6.062 75 HZ3 LYS 9 2HZ LYS 9 -3.231 -9.805 6.001 76 H LEU 10 H LEU 10 -3.231 -6.355 3.374 77 HA LEU 10 HA LEU 10 -2.697 -5.902 6.105 78 HB2 LEU 10 2HB LEU 10 -2.344 -3.482 5.885 79 HB3 LEU 10 1HB LEU 10 -0.885 -4.230 5.520 80 HG LEU 10 HG LEU 10 -2.797 -2.791 3.924 81 HD11 LEU 10 1HD1 LEU 10 -0.728 -1.522 3.283 82 HD12 LEU 10 2HD1 LEU 10 0.239 -2.773 4.042 83 HD13 LEU 10 3HD1 LEU 10 -0.766 -1.739 5.042 84 HD21 LEU 10 3HD2 LEU 10 -1.624 -3.293 1.785 85 HD22 LEU 10 1HD2 LEU 10 -2.368 -4.722 2.508 86 HD23 LEU 10 2HD2 LEU 10 -0.630 -4.471 2.655 87 H CYS 11 H CYS 11 -4.045 -4.009 6.783 88 HA CYS 11 HA CYS 11 -6.491 -3.538 5.329 89 HB2 CYS 11 2HB CYS 11 -6.627 -5.191 7.840 90 HB3 CYS 11 1HB CYS 11 -8.001 -4.641 6.914 91 H GLY 12 H GLY 12 -7.901 -2.134 6.645 92 HA2 GLY 12 2HA GLY 12 -8.262 -0.287 8.005 93 HA3 GLY 12 1HA GLY 12 -7.605 -1.328 9.243 94 H ARG 13 H ARG 13 -6.344 -0.163 10.392 95 HA ARG 13 HA ARG 13 -4.915 2.082 9.494 96 HB2 ARG 13 2HB ARG 13 -5.531 1.981 11.803 97 HB3 ARG 13 1HB ARG 13 -4.685 0.469 12.044 98 HG2 ARG 13 2HG ARG 13 -3.459 2.265 13.067 99 HG3 ARG 13 1HG ARG 13 -2.549 1.642 11.698 100 HD2 ARG 13 2HD ARG 13 -3.373 3.514 10.329 101 HD3 ARG 13 1HD ARG 13 -4.224 4.150 11.737 102 HE ARG 13 HE ARG 13 -1.493 3.703 12.303 103 HH11 ARG 13 1HH1 ARG 13 -3.632 6.058 10.713 104 HH12 ARG 13 2HH1 ARG 13 -2.524 7.338 10.872 105 HH21 ARG 13 1HH2 ARG 13 -0.046 5.440 12.536 106 HH22 ARG 13 2HH2 ARG 13 -0.440 6.999 11.946 107 H GLU 14 H GLU 14 -4.082 -1.319 9.581 108 HA GLU 14 HA GLU 14 -1.271 -1.048 9.259 109 HB2 GLU 14 2HB GLU 14 -3.202 -3.192 8.383 110 HB3 GLU 14 1HB GLU 14 -1.472 -3.317 8.140 111 HG2 GLU 14 2HG GLU 14 -2.867 -3.074 10.795 112 HG3 GLU 14 1HG GLU 14 -2.239 -4.564 10.093 113 H LEU 15 H LEU 15 -3.985 -0.964 7.010 114 HA LEU 15 HA LEU 15 -2.530 -1.086 4.658 115 HB2 LEU 15 2HB LEU 15 -5.095 0.405 5.279 116 HB3 LEU 15 1HB LEU 15 -4.410 0.438 3.679 117 HG LEU 15 HG LEU 15 -5.113 -2.174 4.958 118 HD11 LEU 15 1HD1 LEU 15 -6.945 -0.281 3.439 119 HD12 LEU 15 2HD1 LEU 15 -7.100 -0.716 5.148 120 HD13 LEU 15 3HD1 LEU 15 -7.338 -1.937 3.906 121 HD21 LEU 15 3HD2 LEU 15 -5.261 -2.931 2.814 122 HD22 LEU 15 1HD2 LEU 15 -3.838 -1.901 2.731 123 HD23 LEU 15 2HD2 LEU 15 -5.383 -1.318 2.107 124 H VAL 16 H VAL 16 -3.566 1.479 6.745 125 HA VAL 16 HA VAL 16 -2.627 3.724 5.277 126 HB VAL 16 HB VAL 16 -3.225 3.557 8.239 127 HG11 VAL 16 1HG1 VAL 16 -2.103 5.608 7.596 128 HG12 VAL 16 2HG1 VAL 16 -3.777 5.933 8.043 129 HG13 VAL 16 3HG1 VAL 16 -3.308 5.896 6.345 130 HG21 VAL 16 3HG2 VAL 16 -5.116 4.132 5.970 131 HG22 VAL 16 1HG2 VAL 16 -5.504 4.232 7.687 132 HG23 VAL 16 2HG2 VAL 16 -5.096 2.677 6.966 133 H ARG 17 H ARG 17 -1.249 1.627 7.639 134 HA ARG 17 HA ARG 17 0.949 3.186 8.335 135 HB2 ARG 17 2HB ARG 17 0.506 0.231 8.433 136 HB3 ARG 17 1HB ARG 17 2.008 0.919 8.996 137 HG2 ARG 17 2HG ARG 17 0.665 2.331 10.574 138 HG3 ARG 17 1HG ARG 17 -0.755 1.420 10.062 139 HD2 ARG 17 2HD ARG 17 0.131 0.496 12.110 140 HD3 ARG 17 1HD ARG 17 0.336 -0.652 10.789 141 HE ARG 17 HE ARG 17 2.584 1.074 11.288 142 HH11 ARG 17 1HH1 ARG 17 1.083 -2.076 11.941 143 HH12 ARG 17 2HH1 ARG 17 2.531 -2.806 12.459 144 HH21 ARG 17 1HH2 ARG 17 4.577 0.045 12.056 145 HH22 ARG 17 2HH2 ARG 17 4.527 -1.599 12.520 146 H ALA 18 H ALA 18 0.647 0.727 5.893 147 HA ALA 18 HA ALA 18 3.313 1.166 4.938 148 HB1 ALA 18 1HB ALA 18 2.720 -0.253 3.051 149 HB2 ALA 18 2HB ALA 18 1.022 -0.176 3.520 150 HB3 ALA 18 3HB ALA 18 2.191 -0.975 4.571 151 H GLN 19 H GLN 19 0.132 2.320 3.970 152 HA GLN 19 HA GLN 19 0.811 3.623 1.596 153 HB2 GLN 19 2HB GLN 19 -1.323 3.957 3.640 154 HB3 GLN 19 1HB GLN 19 -1.209 5.109 2.321 155 HG2 GLN 19 2HG GLN 19 -1.617 3.456 0.716 156 HG3 GLN 19 1HG GLN 19 -1.281 2.153 1.864 157 HE21 GLN 19 1HE2 GLN 19 -3.220 1.184 1.347 158 HE22 GLN 19 2HE2 GLN 19 -4.732 1.806 1.906 159 H ILE 20 H ILE 20 0.396 5.141 4.791 160 HA ILE 20 HA ILE 20 1.465 7.588 3.920 161 HB ILE 20 HB ILE 20 1.138 6.548 6.748 162 HG12 ILE 20 2HG1 ILE 20 -0.500 8.451 5.061 163 HG13 ILE 20 1HG1 ILE 20 -0.957 6.826 5.554 164 HG21 ILE 20 1HG2 ILE 20 2.877 8.278 6.742 165 HG22 ILE 20 2HG2 ILE 20 1.408 8.889 7.506 166 HG23 ILE 20 3HG2 ILE 20 1.807 9.366 5.858 167 HD11 ILE 20 3HD1 ILE 20 -1.040 7.565 7.884 168 HD12 ILE 20 1HD1 ILE 20 -2.114 8.517 6.861 169 HD13 ILE 20 2HD1 ILE 20 -0.566 9.186 7.382 170 H ALA 21 H ALA 21 3.018 4.726 5.171 171 HA ALA 21 HA ALA 21 5.533 5.877 5.717 172 HB1 ALA 21 1HB ALA 21 4.970 3.589 6.418 173 HB2 ALA 21 2HB ALA 21 6.457 3.622 5.468 174 HB3 ALA 21 3HB ALA 21 4.949 3.083 4.729 175 H ILE 22 H ILE 22 4.070 4.657 2.762 176 HA ILE 22 HA ILE 22 6.334 5.074 1.076 177 HB ILE 22 HB ILE 22 3.381 4.896 0.407 178 HG12 ILE 22 2HG1 ILE 22 4.361 2.843 1.389 179 HG13 ILE 22 1HG1 ILE 22 3.855 2.615 -0.283 180 HG21 ILE 22 1HG2 ILE 22 4.151 4.431 -1.911 181 HG22 ILE 22 2HG2 ILE 22 5.779 4.896 -1.417 182 HG23 ILE 22 3HG2 ILE 22 4.467 6.077 -1.365 183 HD11 ILE 22 3HD1 ILE 22 6.112 2.866 -1.016 184 HD12 ILE 22 1HD1 ILE 22 5.989 1.541 0.140 185 HD13 ILE 22 2HD1 ILE 22 6.678 3.089 0.648 186 H CYS 23 H CYS 23 3.675 7.035 2.150 187 HA CYS 23 HA CYS 23 4.018 9.184 0.286 188 HB2 CYS 23 2HB CYS 23 2.826 9.117 3.021 189 HB3 CYS 23 1HB CYS 23 2.639 10.424 1.884 190 H GLY 24 H GLY 24 5.342 8.358 3.273 191 HA2 GLY 24 2HA GLY 24 7.093 10.733 3.217 192 HA3 GLY 24 1HA GLY 24 6.430 10.117 4.726 193 H MET 25 H MET 25 7.992 8.614 1.942 194 HA MET 25 HA MET 25 9.939 7.466 3.819 195 HB2 MET 25 2HB MET 25 10.360 5.644 2.118 196 HB3 MET 25 1HB MET 25 8.766 5.627 2.830 197 HG2 MET 25 2HG MET 25 8.507 5.097 0.543 198 HG3 MET 25 1HG MET 25 7.912 6.736 0.748 199 HE1 MET 25 3HE MET 25 11.646 5.444 0.451 200 HE2 MET 25 1HE MET 25 11.894 5.587 -1.288 201 HE3 MET 25 2HE MET 25 10.730 4.422 -0.659 202 H SER 26 H SER 26 10.048 10.022 2.739 203 HA SER 26 HA SER 26 11.663 10.241 0.447 204 HB2 SER 26 2HB SER 26 11.160 12.302 2.575 205 HB3 SER 26 1HB SER 26 11.604 12.588 0.890 206 HG SER 26 HG SER 26 9.543 11.088 0.690 207 H THR 27 H THR 27 12.694 8.864 2.993 208 HA THR 27 HA THR 27 15.251 10.150 3.390 209 HB THR 27 HB THR 27 14.495 7.328 4.139 210 HG1 THR 27 1HG THR 27 13.381 9.657 4.944 211 HG21 THR 27 3HG2 THR 27 16.849 7.978 4.492 212 HG22 THR 27 1HG2 THR 27 16.032 7.715 6.033 213 HG23 THR 27 2HG2 THR 27 16.322 9.357 5.458 214 H TRP 28 H TRP 28 13.722 8.165 1.347 215 HA TRP 28 HA TRP 28 16.109 7.624 -0.248 216 HB2 TRP 28 2HB TRP 28 15.456 5.529 0.990 217 HB3 TRP 28 1HB TRP 28 13.876 5.610 0.226 218 HD1 TRP 28 HD TRP 28 13.660 4.177 -1.893 219 HE1 TRP 28 1HE TRP 28 15.287 3.110 -3.571 220 HE3 TRP 28 3HE TRP 28 18.048 6.089 -0.102 221 HZ2 TRP 28 2HZ TRP 28 18.056 3.089 -4.077 222 HZ3 TRP 28 3HZ TRP 28 20.144 5.497 -1.248 223 HH2 TRP 28 HH TRP 28 20.145 4.027 -3.191 224 H SER 29 H SER 29 15.413 7.254 -2.573 225 HA SER 29 HA SER 29 13.405 9.201 -3.240 226 HB2 SER 29 2HB SER 29 15.083 7.457 -5.035 227 HB3 SER 29 1HB SER 29 14.218 8.929 -5.494 228 HG SER 29 HG SER 29 15.582 9.824 -3.629 229 HN1 NH2 30 HT1 SER 29 11.367 8.524 -3.070 230 HN2 NH2 30 HT2 SER 29 10.733 7.028 -3.643 231 HA PCA 1 HA PCA 1 -12.951 3.876 -8.526 232 HB2 PCA 1 2HB PCA 1 -13.438 3.021 -5.837 233 HB3 PCA 1 1HB PCA 1 -14.115 4.453 -6.662 234 HG2 PCA 1 2HG PCA 1 -15.472 2.040 -5.929 235 HG3 PCA 1 1HG PCA 1 -16.132 3.423 -6.880 236 H LEU 2 H LEU 2 -10.956 3.398 -8.802 237 HA LEU 2 HA LEU 2 -9.816 0.898 -8.164 238 HB2 LEU 2 2HB LEU 2 -7.683 1.696 -8.919 239 HB3 LEU 2 1HB LEU 2 -8.917 2.260 -10.012 240 HG LEU 2 HG LEU 2 -7.610 4.000 -7.900 241 HD11 LEU 2 1HD1 LEU 2 -6.997 3.738 -10.837 242 HD12 LEU 2 2HD1 LEU 2 -5.959 3.233 -9.502 243 HD13 LEU 2 3HD1 LEU 2 -6.316 4.944 -9.746 244 HD21 LEU 2 3HD2 LEU 2 -9.813 4.805 -8.678 245 HD22 LEU 2 1HD2 LEU 2 -9.236 4.732 -10.343 246 HD23 LEU 2 2HD2 LEU 2 -8.503 5.860 -9.204 247 H TYR 3 H TYR 3 -9.941 3.871 -6.388 248 HA TYR 3 HA TYR 3 -7.903 3.181 -4.511 249 HB2 TYR 3 2HB TYR 3 -10.046 5.268 -4.541 250 HB3 TYR 3 1HB TYR 3 -9.109 4.962 -3.094 251 HD1 TYR 3 1HD TYR 3 -8.718 5.846 -6.703 252 HD2 TYR 3 2HD TYR 3 -7.066 5.969 -2.795 253 HE1 TYR 3 1HE TYR 3 -6.928 7.329 -7.505 254 HE2 TYR 3 2HE TYR 3 -5.288 7.447 -3.588 255 HH TYR 3 HH TYR 3 -4.162 7.952 -5.628 256 H SER 4 H SER 4 -11.433 3.173 -4.291 257 HA SER 4 HA SER 4 -11.638 2.121 -1.733 258 HB2 SER 4 2HB SER 4 -13.511 1.630 -4.039 259 HB3 SER 4 1HB SER 4 -13.907 1.665 -2.317 260 HG SER 4 HG SER 4 -13.147 3.888 -2.366 261 H ALA 5 H ALA 5 -11.314 0.527 -4.881 262 HA ALA 5 HA ALA 5 -11.615 -2.096 -3.831 263 HB1 ALA 5 1HB ALA 5 -10.930 -2.849 -6.045 264 HB2 ALA 5 2HB ALA 5 -10.449 -1.203 -6.464 265 HB3 ALA 5 3HB ALA 5 -12.146 -1.577 -6.157 266 H LEU 6 H LEU 6 -8.939 0.081 -4.292 267 HA LEU 6 HA LEU 6 -6.794 -1.724 -4.264 268 HB2 LEU 6 2HB LEU 6 -6.804 0.780 -4.789 269 HB3 LEU 6 1HB LEU 6 -6.826 1.052 -3.071 270 HG LEU 6 HG LEU 6 -4.559 -0.446 -4.390 271 HD11 LEU 6 1HD1 LEU 6 -3.396 1.713 -4.524 272 HD12 LEU 6 2HD1 LEU 6 -4.892 2.538 -4.079 273 HD13 LEU 6 3HD1 LEU 6 -4.800 1.621 -5.577 274 HD21 LEU 6 3HD2 LEU 6 -3.252 0.460 -2.442 275 HD22 LEU 6 1HD2 LEU 6 -4.615 -0.526 -1.908 276 HD23 LEU 6 2HD2 LEU 6 -4.709 1.229 -1.848 277 H ALA 7 H ALA 7 -8.276 0.100 -1.628 278 HA ALA 7 HA ALA 7 -6.782 -0.941 0.484 279 HB1 ALA 7 1HB ALA 7 -8.619 -0.222 1.940 280 HB2 ALA 7 2HB ALA 7 -9.673 -0.062 0.536 281 HB3 ALA 7 3HB ALA 7 -8.272 0.994 0.712 282 H ASN 8 H ASN 8 -9.761 -2.111 -0.955 283 HA ASN 8 HA ASN 8 -10.102 -4.295 0.832 284 HB2 ASN 8 2HB ASN 8 -11.286 -3.819 -1.906 285 HB3 ASN 8 1HB ASN 8 -11.753 -5.138 -0.841 286 HD21 ASN 8 1HD2 ASN 8 -11.527 -3.426 1.583 287 HD22 ASN 8 2HD2 ASN 8 -12.901 -2.413 1.533 288 H LYS 9 H LYS 9 -8.650 -3.972 -2.337 289 HA LYS 9 HA LYS 9 -8.157 -6.661 -2.913 290 HB2 LYS 9 2HB LYS 9 -7.893 -4.723 -4.489 291 HB3 LYS 9 1HB LYS 9 -6.473 -4.246 -3.593 292 HG2 LYS 9 2HG LYS 9 -5.795 -5.358 -5.591 293 HG3 LYS 9 1HG LYS 9 -5.388 -6.376 -4.208 294 HD2 LYS 9 2HD LYS 9 -6.310 -7.721 -6.003 295 HD3 LYS 9 1HD LYS 9 -7.413 -7.712 -4.632 296 HE2 LYS 9 2HE LYS 9 -8.795 -6.024 -5.744 297 HE3 LYS 9 1HE LYS 9 -7.670 -5.994 -7.103 298 HZ1 LYS 9 3HZ LYS 9 -8.186 -8.298 -7.518 299 HZ2 LYS 9 1HZ LYS 9 -9.587 -7.379 -7.569 300 HZ3 LYS 9 2HZ LYS 9 -9.246 -8.347 -6.225 301 H CYS 10 H CYS 10 -6.140 -4.285 -1.256 302 HA CYS 10 HA CYS 10 -3.961 -6.009 -0.730 303 HB2 CYS 10 2HB CYS 10 -4.866 -3.693 0.968 304 HB3 CYS 10 1HB CYS 10 -3.239 -4.335 0.786 305 H CYS 11 H CYS 11 -7.004 -5.435 0.913 306 HA CYS 11 HA CYS 11 -6.168 -6.795 3.298 307 HB2 CYS 11 2HB CYS 11 -7.815 -4.904 3.269 308 HB3 CYS 11 1HB CYS 11 -8.959 -5.976 2.486 309 H HIS 12 H HIS 12 -8.003 -7.557 0.427 310 HA HIS 12 HA HIS 12 -8.920 -10.089 1.397 311 HB2 HIS 12 2HB HIS 12 -8.917 -8.789 -1.304 312 HB3 HIS 12 1HB HIS 12 -9.409 -10.459 -1.106 313 HD1 HIS 12 1HD HIS 12 -11.904 -10.189 -1.591 314 HD2 HIS 12 2HD HIS 12 -10.511 -7.497 1.231 315 HE1 HIS 12 1HE HIS 12 -13.927 -8.989 -0.741 316 H VAL 13 H VAL 13 -6.500 -9.103 -0.942 317 HA VAL 13 HA VAL 13 -5.297 -11.756 -0.640 318 HB VAL 13 HB VAL 13 -4.627 -11.632 -3.058 319 HG11 VAL 13 1HG1 VAL 13 -6.498 -13.065 -2.297 320 HG12 VAL 13 2HG1 VAL 13 -6.868 -12.381 -3.888 321 HG13 VAL 13 3HG1 VAL 13 -7.587 -11.683 -2.436 322 HG21 VAL 13 3HG2 VAL 13 -6.004 -10.239 -4.570 323 HG22 VAL 13 1HG2 VAL 13 -4.998 -9.273 -3.490 324 HG23 VAL 13 2HG2 VAL 13 -6.719 -9.458 -3.159 325 H GLY 14 H GLY 14 -4.705 -8.507 -1.749 326 HA2 GLY 14 2HA GLY 14 -2.787 -7.517 -0.342 327 HA3 GLY 14 1HA GLY 14 -1.843 -8.733 -1.149 328 H CYS 15 H CYS 15 -1.074 -6.243 -1.638 329 HA CYS 15 HA CYS 15 -1.795 -5.854 -4.420 330 HB2 CYS 15 2HB CYS 15 -2.142 -3.438 -4.052 331 HB3 CYS 15 1HB CYS 15 -3.388 -4.432 -3.302 332 H THR 16 H THR 16 -0.330 -4.179 -5.395 333 HA THR 16 HA THR 16 2.282 -4.676 -4.416 334 HB THR 16 HB THR 16 3.007 -3.446 -6.451 335 HG1 THR 16 1HG THR 16 0.419 -3.498 -7.471 336 HG21 THR 16 3HG2 THR 16 2.664 -5.870 -6.538 337 HG22 THR 16 1HG2 THR 16 2.230 -5.119 -8.073 338 HG23 THR 16 2HG2 THR 16 0.968 -5.621 -6.947 339 H LYS 17 H LYS 17 3.699 -3.133 -3.939 340 HA LYS 17 HA LYS 17 2.768 -1.114 -2.151 341 HB2 LYS 17 2HB LYS 17 4.965 -2.444 -2.341 342 HB3 LYS 17 1HB LYS 17 5.585 -1.087 -3.256 343 HG2 LYS 17 2HG LYS 17 6.267 -0.859 -1.007 344 HG3 LYS 17 1HG LYS 17 4.989 0.346 -1.269 345 HD2 LYS 17 2HD LYS 17 3.381 -1.043 -0.136 346 HD3 LYS 17 1HD LYS 17 4.514 -2.391 -0.073 347 HE2 LYS 17 2HE LYS 17 4.819 0.249 1.376 348 HE3 LYS 17 1HE LYS 17 4.283 -1.269 2.091 349 HZ1 LYS 17 3HZ LYS 17 6.976 -0.721 0.951 350 HZ2 LYS 17 1HZ LYS 17 6.445 -2.240 1.471 351 HZ3 LYS 17 2HZ LYS 17 6.593 -0.958 2.558 352 H ARG 18 H ARG 18 3.736 -0.988 -5.522 353 HA ARG 18 HA ARG 18 3.743 1.826 -5.866 354 HB2 ARG 18 2HB ARG 18 2.914 1.353 -8.172 355 HB3 ARG 18 1HB ARG 18 4.490 0.657 -7.853 356 HG2 ARG 18 2HG ARG 18 3.216 -1.500 -7.487 357 HG3 ARG 18 1HG ARG 18 1.788 -0.641 -8.067 358 HD2 ARG 18 2HD ARG 18 2.995 -0.114 -10.153 359 HD3 ARG 18 1HD ARG 18 4.365 -1.056 -9.568 360 HE ARG 18 HE ARG 18 1.869 -2.475 -9.627 361 HH11 ARG 18 1HH1 ARG 18 4.804 -1.675 -11.458 362 HH12 ARG 18 2HH1 ARG 18 4.620 -2.931 -12.578 363 HH21 ARG 18 1HH2 ARG 18 1.633 -4.237 -11.161 364 HH22 ARG 18 2HH2 ARG 18 2.788 -4.425 -12.395 365 H SER 19 H SER 19 1.295 -0.450 -5.790 366 HA SER 19 HA SER 19 -0.852 1.104 -6.695 367 HB2 SER 19 2HB SER 19 -0.887 -1.345 -6.674 368 HB3 SER 19 1HB SER 19 -0.877 -1.405 -4.930 369 HG SER 19 HG SER 19 -2.873 -0.023 -6.371 370 H LEU 20 H LEU 20 0.112 0.248 -3.336 371 HA LEU 20 HA LEU 20 -1.718 2.210 -2.212 372 HB2 LEU 20 2HB LEU 20 0.663 1.448 -0.574 373 HB3 LEU 20 1HB LEU 20 -0.952 1.785 -0.122 374 HG LEU 20 HG LEU 20 -1.572 -0.490 -1.150 375 HD11 LEU 20 1HD1 LEU 20 0.594 -0.929 -2.208 376 HD12 LEU 20 2HD1 LEU 20 0.211 -2.131 -0.979 377 HD13 LEU 20 3HD1 LEU 20 1.361 -0.843 -0.621 378 HD21 LEU 20 3HD2 LEU 20 0.063 -0.278 1.335 379 HD22 LEU 20 1HD2 LEU 20 -1.076 -1.560 0.949 380 HD23 LEU 20 2HD2 LEU 20 -1.673 0.086 1.221 381 H ALA 21 H ALA 21 1.357 2.382 -3.523 382 HA ALA 21 HA ALA 21 2.247 4.773 -2.330 383 HB1 ALA 21 1HB ALA 21 3.726 3.360 -3.713 384 HB2 ALA 21 2HB ALA 21 3.748 5.041 -4.245 385 HB3 ALA 21 3HB ALA 21 2.822 3.843 -5.148 386 H ARG 22 H ARG 22 0.133 4.118 -5.003 387 HA ARG 22 HA ARG 22 -0.174 6.895 -5.773 388 HB2 ARG 22 2HB ARG 22 -1.733 4.465 -6.636 389 HB3 ARG 22 1HB ARG 22 -1.733 6.039 -7.424 390 HG2 ARG 22 2HG ARG 22 0.628 5.794 -7.932 391 HG3 ARG 22 1HG ARG 22 0.589 4.254 -7.051 392 HD2 ARG 22 2HD ARG 22 -0.942 3.332 -8.679 393 HD3 ARG 22 1HD ARG 22 -0.998 4.875 -9.538 394 HE ARG 22 HE ARG 22 1.642 3.939 -9.275 395 HH11 ARG 22 1HH1 ARG 22 -1.293 3.313 -11.129 396 HH12 ARG 22 2HH1 ARG 22 -0.464 2.808 -12.531 397 HH21 ARG 22 1HH2 ARG 22 2.774 3.240 -11.174 398 HH22 ARG 22 2HH2 ARG 22 1.894 2.736 -12.546 399 H PHE 23 H PHE 23 -1.526 4.700 -3.667 400 HA PHE 23 HA PHE 23 -4.138 5.914 -3.400 401 HB2 PHE 23 2HB PHE 23 -3.501 3.532 -2.602 402 HB3 PHE 23 1HB PHE 23 -2.752 4.315 -1.248 403 HD1 PHE 23 1HD PHE 23 -4.200 5.879 0.229 404 HD2 PHE 23 2HD PHE 23 -5.846 3.018 -2.458 405 HE1 PHE 23 1HE PHE 23 -6.321 5.927 1.469 406 HE2 PHE 23 2HE PHE 23 -7.955 3.072 -1.224 407 HZ PHE 23 HZ PHE 23 -8.200 4.525 0.740 408 H CYS 24 H CYS 24 -1.493 5.608 -1.274 409 HA CYS 24 HA CYS 24 -0.420 6.924 0.242 410 HB2 CYS 24 2HB CYS 24 -0.134 8.465 -1.725 411 HB3 CYS 24 1HB CYS 24 -1.594 9.312 -1.232 412 HN1 NH2 25 HT1 CYS 24 -3.123 9.208 -0.047 413 HN2 NH2 25 HT2 CYS 24 -3.741 8.916 1.538 Start of MODEL 14 1 H1 ASP 1 1HT ASP 1 12.709 -5.026 0.905 2 H2 ASP 1 2HT ASP 1 11.109 -4.582 0.691 3 H3 ASP 1 3HT ASP 1 11.783 -4.529 2.220 4 HA ASP 1 HA ASP 1 11.551 -2.344 1.306 5 HB2 ASP 1 2HB ASP 1 14.390 -3.293 1.633 6 HB3 ASP 1 1HB ASP 1 13.978 -1.596 1.416 7 H SER 2 H SER 2 12.930 -4.570 -0.993 8 HA SER 2 HA SER 2 13.651 -2.509 -2.832 9 HB2 SER 2 2HB SER 2 12.863 -5.265 -3.543 10 HB3 SER 2 1HB SER 2 13.980 -4.231 -4.398 11 HG SER 2 HG SER 2 14.760 -4.617 -1.813 12 H TRP 3 H TRP 3 12.360 -1.460 -3.922 13 HA TRP 3 HA TRP 3 9.590 -1.446 -3.361 14 HB2 TRP 3 2HB TRP 3 11.031 0.145 -5.486 15 HB3 TRP 3 1HB TRP 3 9.402 0.464 -4.899 16 HD1 TRP 3 HD TRP 3 12.904 1.453 -4.309 17 HE1 TRP 3 1HE TRP 3 13.145 2.763 -2.092 18 HE3 TRP 3 3HE TRP 3 8.341 0.414 -2.209 19 HZ2 TRP 3 2HZ TRP 3 11.632 3.278 0.204 20 HZ3 TRP 3 3HZ TRP 3 7.841 1.353 0.007 21 HH2 TRP 3 HH TRP 3 9.447 2.753 1.181 22 H MET 4 H MET 4 11.340 -2.673 -6.085 23 HA MET 4 HA MET 4 9.174 -3.049 -7.850 24 HB2 MET 4 2HB MET 4 11.683 -4.743 -7.676 25 HB3 MET 4 1HB MET 4 10.582 -4.669 -9.033 26 HG2 MET 4 2HG MET 4 12.456 -3.388 -9.643 27 HG3 MET 4 1HG MET 4 11.193 -2.229 -9.253 28 HE1 MET 4 3HE MET 4 14.612 -3.812 -8.224 29 HE2 MET 4 1HE MET 4 13.601 -4.341 -6.879 30 HE3 MET 4 2HE MET 4 14.880 -3.159 -6.611 31 H GLU 5 H GLU 5 10.281 -4.874 -5.089 32 HA GLU 5 HA GLU 5 8.424 -7.030 -5.788 33 HB2 GLU 5 2HB GLU 5 10.887 -7.110 -4.057 34 HB3 GLU 5 1HB GLU 5 9.766 -8.448 -4.260 35 HG2 GLU 5 2HG GLU 5 11.490 -7.188 -6.373 36 HG3 GLU 5 1HG GLU 5 11.660 -8.798 -5.671 37 H GLU 6 H GLU 6 8.311 -4.375 -4.108 38 HA GLU 6 HA GLU 6 7.535 -5.427 -1.579 39 HB2 GLU 6 2HB GLU 6 7.287 -2.643 -2.694 40 HB3 GLU 6 1HB GLU 6 6.677 -3.204 -1.130 41 HG2 GLU 6 2HG GLU 6 9.551 -3.339 -1.944 42 HG3 GLU 6 1HG GLU 6 8.843 -2.039 -0.984 43 H VAL 7 H VAL 7 5.898 -6.415 -1.326 44 HA VAL 7 HA VAL 7 3.298 -5.473 -2.155 45 HB VAL 7 HB VAL 7 3.820 -7.040 -3.990 46 HG11 VAL 7 1HG1 VAL 7 5.532 -8.372 -2.914 47 HG12 VAL 7 2HG1 VAL 7 4.284 -9.405 -3.607 48 HG13 VAL 7 3HG1 VAL 7 4.320 -9.114 -1.869 49 HG21 VAL 7 3HG2 VAL 7 1.948 -8.659 -3.743 50 HG22 VAL 7 1HG2 VAL 7 1.491 -7.034 -3.238 51 HG23 VAL 7 2HG2 VAL 7 1.845 -8.250 -2.032 52 H ILE 8 H ILE 8 1.812 -5.783 -0.643 53 HA ILE 8 HA ILE 8 2.379 -7.641 1.488 54 HB ILE 8 HB ILE 8 1.929 -6.078 3.273 55 HG12 ILE 8 2HG1 ILE 8 0.479 -4.448 2.071 56 HG13 ILE 8 1HG1 ILE 8 1.705 -3.665 3.050 57 HG21 ILE 8 1HG2 ILE 8 4.232 -6.369 2.797 58 HG22 ILE 8 2HG2 ILE 8 3.949 -4.706 3.310 59 HG23 ILE 8 3HG2 ILE 8 4.196 -5.071 1.602 60 HD11 ILE 8 3HD1 ILE 8 1.406 -2.513 0.946 61 HD12 ILE 8 1HD1 ILE 8 1.739 -3.998 0.052 62 HD13 ILE 8 2HD1 ILE 8 3.012 -3.238 1.007 63 H LYS 9 H LYS 9 0.486 -7.980 2.789 64 HA LYS 9 HA LYS 9 -1.916 -7.032 1.495 65 HB2 LYS 9 2HB LYS 9 -3.029 -9.216 2.035 66 HB3 LYS 9 1HB LYS 9 -1.811 -9.297 0.778 67 HG2 LYS 9 2HG LYS 9 -0.222 -10.230 2.423 68 HG3 LYS 9 1HG LYS 9 -1.500 -10.188 3.639 69 HD2 LYS 9 2HD LYS 9 -1.597 -11.739 1.047 70 HD3 LYS 9 1HD LYS 9 -1.251 -12.428 2.630 71 HE2 LYS 9 2HE LYS 9 -3.834 -11.081 1.800 72 HE3 LYS 9 1HE LYS 9 -3.581 -12.808 1.981 73 HZ1 LYS 9 3HZ LYS 9 -3.112 -12.434 4.345 74 HZ2 LYS 9 1HZ LYS 9 -4.655 -11.910 3.907 75 HZ3 LYS 9 2HZ LYS 9 -3.451 -10.784 4.149 76 H LEU 10 H LEU 10 -1.921 -5.418 2.901 77 HA LEU 10 HA LEU 10 -2.624 -6.067 5.682 78 HB2 LEU 10 2HB LEU 10 -1.287 -3.692 4.453 79 HB3 LEU 10 1HB LEU 10 -2.237 -3.490 5.891 80 HG LEU 10 HG LEU 10 -0.837 -4.892 7.176 81 HD11 LEU 10 1HD1 LEU 10 0.739 -5.393 4.650 82 HD12 LEU 10 2HD1 LEU 10 -0.225 -6.595 5.513 83 HD13 LEU 10 3HD1 LEU 10 1.234 -5.927 6.255 84 HD21 LEU 10 3HD2 LEU 10 -0.109 -2.579 6.883 85 HD22 LEU 10 1HD2 LEU 10 0.877 -3.067 5.511 86 HD23 LEU 10 2HD2 LEU 10 1.267 -3.658 7.128 87 H CYS 11 H CYS 11 -4.005 -4.254 6.569 88 HA CYS 11 HA CYS 11 -6.106 -3.536 4.691 89 HB2 CYS 11 2HB CYS 11 -6.507 -5.786 5.088 90 HB3 CYS 11 1HB CYS 11 -6.539 -5.606 6.853 91 H GLY 12 H GLY 12 -7.725 -2.400 5.673 92 HA2 GLY 12 2HA GLY 12 -8.476 -0.544 6.933 93 HA3 GLY 12 1HA GLY 12 -7.988 -1.526 8.284 94 H ARG 13 H ARG 13 -6.854 -0.564 9.571 95 HA ARG 13 HA ARG 13 -5.618 1.961 9.209 96 HB2 ARG 13 2HB ARG 13 -5.163 -0.067 11.382 97 HB3 ARG 13 1HB ARG 13 -4.619 1.596 11.420 98 HG2 ARG 13 2HG ARG 13 -6.908 2.368 11.475 99 HG3 ARG 13 1HG ARG 13 -7.490 0.706 11.325 100 HD2 ARG 13 2HD ARG 13 -5.821 1.809 13.584 101 HD3 ARG 13 1HD ARG 13 -7.541 1.440 13.663 102 HE ARG 13 HE ARG 13 -6.453 -0.899 12.878 103 HH11 ARG 13 1HH1 ARG 13 -5.750 1.243 15.583 104 HH12 ARG 13 2HH1 ARG 13 -5.152 0.027 16.607 105 HH21 ARG 13 1HH2 ARG 13 -5.633 -2.611 14.280 106 HH22 ARG 13 2HH2 ARG 13 -5.121 -2.224 15.852 107 H GLU 14 H GLU 14 -4.332 -1.353 9.226 108 HA GLU 14 HA GLU 14 -1.611 -0.598 9.344 109 HB2 GLU 14 2HB GLU 14 -2.885 -3.122 8.297 110 HB3 GLU 14 1HB GLU 14 -1.172 -2.909 8.563 111 HG2 GLU 14 2HG GLU 14 -1.907 -4.134 10.404 112 HG3 GLU 14 1HG GLU 14 -1.800 -2.487 11.012 113 H LEU 15 H LEU 15 -3.888 -1.108 6.893 114 HA LEU 15 HA LEU 15 -2.113 -1.121 4.695 115 HB2 LEU 15 2HB LEU 15 -4.498 -1.921 4.776 116 HB3 LEU 15 1HB LEU 15 -4.981 -0.243 4.692 117 HG LEU 15 HG LEU 15 -3.940 -0.044 2.489 118 HD11 LEU 15 1HD1 LEU 15 -3.119 -2.074 1.384 119 HD12 LEU 15 2HD1 LEU 15 -3.341 -2.974 2.885 120 HD13 LEU 15 3HD1 LEU 15 -2.144 -1.682 2.798 121 HD21 LEU 15 3HD2 LEU 15 -6.266 -0.701 2.646 122 HD22 LEU 15 1HD2 LEU 15 -5.788 -2.393 2.811 123 HD23 LEU 15 2HD2 LEU 15 -5.467 -1.535 1.303 124 H VAL 16 H VAL 16 -3.959 1.393 6.323 125 HA VAL 16 HA VAL 16 -3.115 3.602 4.704 126 HB VAL 16 HB VAL 16 -3.950 3.568 7.625 127 HG11 VAL 16 1HG1 VAL 16 -3.897 5.855 5.658 128 HG12 VAL 16 2HG1 VAL 16 -2.821 5.634 7.041 129 HG13 VAL 16 3HG1 VAL 16 -4.543 5.919 7.300 130 HG21 VAL 16 3HG2 VAL 16 -5.627 4.009 5.161 131 HG22 VAL 16 1HG2 VAL 16 -6.178 4.220 6.824 132 HG23 VAL 16 2HG2 VAL 16 -5.695 2.623 6.251 133 H ARG 17 H ARG 17 -1.862 2.041 7.588 134 HA ARG 17 HA ARG 17 0.240 3.786 8.121 135 HB2 ARG 17 2HB ARG 17 -0.071 0.849 8.630 136 HB3 ARG 17 1HB ARG 17 1.335 1.744 9.181 137 HG2 ARG 17 2HG ARG 17 -0.062 3.142 10.568 138 HG3 ARG 17 1HG ARG 17 -1.511 2.353 9.943 139 HD2 ARG 17 2HD ARG 17 -0.807 1.524 12.179 140 HD3 ARG 17 1HD ARG 17 -0.881 0.265 10.959 141 HE ARG 17 HE ARG 17 1.469 0.261 10.844 142 HH11 ARG 17 1HH1 ARG 17 0.184 2.192 13.523 143 HH12 ARG 17 2HH1 ARG 17 1.589 2.075 14.471 144 HH21 ARG 17 1HH2 ARG 17 3.410 0.097 12.174 145 HH22 ARG 17 2HH2 ARG 17 3.485 0.882 13.681 146 H ALA 18 H ALA 18 0.120 0.967 6.084 147 HA ALA 18 HA ALA 18 2.811 1.030 5.200 148 HB1 ALA 18 1HB ALA 18 1.385 -0.950 4.927 149 HB2 ALA 18 2HB ALA 18 2.084 -0.452 3.386 150 HB3 ALA 18 3HB ALA 18 0.400 -0.078 3.753 151 H GLN 19 H GLN 19 -0.084 2.557 4.047 152 HA GLN 19 HA GLN 19 0.890 3.711 1.675 153 HB2 GLN 19 2HB GLN 19 -1.310 4.223 3.574 154 HB3 GLN 19 1HB GLN 19 -1.056 5.430 2.349 155 HG2 GLN 19 2HG GLN 19 -1.421 3.815 0.637 156 HG3 GLN 19 1HG GLN 19 -1.382 2.497 1.814 157 HE21 GLN 19 1HE2 GLN 19 -3.344 1.748 1.230 158 HE22 GLN 19 2HE2 GLN 19 -4.816 2.566 1.592 159 H ILE 20 H ILE 20 0.464 5.113 4.883 160 HA ILE 20 HA ILE 20 1.844 7.523 4.427 161 HB ILE 20 HB ILE 20 1.598 5.983 7.037 162 HG12 ILE 20 2HG1 ILE 20 -0.115 8.221 5.921 163 HG13 ILE 20 1HG1 ILE 20 -0.571 6.526 5.994 164 HG21 ILE 20 1HG2 ILE 20 1.987 8.147 8.157 165 HG22 ILE 20 2HG2 ILE 20 2.257 8.904 6.587 166 HG23 ILE 20 3HG2 ILE 20 3.372 7.669 7.172 167 HD11 ILE 20 3HD1 ILE 20 -1.627 7.812 7.768 168 HD12 ILE 20 1HD1 ILE 20 -0.043 8.312 8.361 169 HD13 ILE 20 2HD1 ILE 20 -0.517 6.614 8.435 170 H ALA 21 H ALA 21 2.978 4.334 5.298 171 HA ALA 21 HA ALA 21 5.661 4.995 5.812 172 HB1 ALA 21 1HB ALA 21 4.559 2.362 4.853 173 HB2 ALA 21 2HB ALA 21 4.606 2.891 6.533 174 HB3 ALA 21 3HB ALA 21 6.109 2.624 5.655 175 H ILE 22 H ILE 22 3.943 4.215 2.843 176 HA ILE 22 HA ILE 22 6.395 4.153 1.341 177 HB ILE 22 HB ILE 22 4.150 2.837 0.780 178 HG12 ILE 22 2HG1 ILE 22 6.161 2.665 -0.623 179 HG13 ILE 22 1HG1 ILE 22 4.694 2.692 -1.594 180 HG21 ILE 22 1HG2 ILE 22 2.624 4.661 0.687 181 HG22 ILE 22 2HG2 ILE 22 2.700 3.837 -0.871 182 HG23 ILE 22 3HG2 ILE 22 3.520 5.383 -0.649 183 HD11 ILE 22 3HD1 ILE 22 6.613 4.978 -1.207 184 HD12 ILE 22 1HD1 ILE 22 5.157 5.011 -2.202 185 HD13 ILE 22 2HD1 ILE 22 6.498 3.946 -2.632 186 H CYS 23 H CYS 23 3.771 6.429 1.875 187 HA CYS 23 HA CYS 23 4.782 8.294 -0.029 188 HB2 CYS 23 2HB CYS 23 2.672 8.376 2.055 189 HB3 CYS 23 1HB CYS 23 3.179 9.850 1.238 190 H GLY 24 H GLY 24 5.325 7.777 3.274 191 HA2 GLY 24 2HA GLY 24 6.755 10.273 3.653 192 HA3 GLY 24 1HA GLY 24 6.611 8.975 4.829 193 H MET 25 H MET 25 7.491 7.278 2.333 194 HA MET 25 HA MET 25 10.372 7.853 2.434 195 HB2 MET 25 2HB MET 25 9.647 5.947 3.998 196 HB3 MET 25 1HB MET 25 9.143 5.076 2.559 197 HG2 MET 25 2HG MET 25 11.299 4.280 3.235 198 HG3 MET 25 1HG MET 25 11.477 5.185 1.733 199 HE1 MET 25 3HE MET 25 14.836 5.945 3.589 200 HE2 MET 25 1HE MET 25 14.091 5.352 2.104 201 HE3 MET 25 2HE MET 25 13.933 4.430 3.599 202 H SER 26 H SER 26 8.838 8.812 0.513 203 HA SER 26 HA SER 26 8.239 6.898 -1.501 204 HB2 SER 26 2HB SER 26 7.462 9.072 -2.703 205 HB3 SER 26 1HB SER 26 6.555 8.436 -1.327 206 HG SER 26 HG SER 26 6.977 10.172 -0.282 207 H THR 27 H THR 27 10.485 6.370 -1.547 208 HA THR 27 HA THR 27 12.253 7.989 -3.115 209 HB THR 27 HB THR 27 12.434 5.010 -2.646 210 HG1 THR 27 1HG THR 27 12.685 7.154 -0.911 211 HG21 THR 27 3HG2 THR 27 14.864 5.405 -2.820 212 HG22 THR 27 1HG2 THR 27 14.561 7.117 -3.110 213 HG23 THR 27 2HG2 THR 27 14.032 5.917 -4.289 214 H TRP 28 H TRP 28 10.273 5.393 -3.594 215 HA TRP 28 HA TRP 28 10.020 5.924 -6.453 216 HB2 TRP 28 2HB TRP 28 10.674 3.196 -5.326 217 HB3 TRP 28 1HB TRP 28 9.962 3.415 -6.922 218 HD1 TRP 28 HD TRP 28 13.249 3.551 -5.096 219 HE1 TRP 28 1HE TRP 28 15.120 4.168 -6.754 220 HE3 TRP 28 3HE TRP 28 10.388 4.864 -9.122 221 HZ2 TRP 28 2HZ TRP 28 15.360 5.086 -9.397 222 HZ3 TRP 28 3HZ TRP 28 11.519 5.601 -11.176 223 HH2 TRP 28 HH TRP 28 13.954 5.709 -11.309 224 H SER 29 H SER 29 7.985 6.084 -6.996 225 HA SER 29 HA SER 29 6.006 4.811 -5.258 226 HB2 SER 29 2HB SER 29 5.716 7.272 -6.998 227 HB3 SER 29 1HB SER 29 4.472 6.602 -5.940 228 HG SER 29 HG SER 29 7.027 7.463 -5.078 229 HN1 NH2 30 HT1 SER 29 6.005 2.871 -6.383 230 HN2 NH2 30 HT2 SER 29 5.396 2.718 -7.995 231 HA PCA 1 HA PCA 1 -14.356 3.709 -4.489 232 HB2 PCA 1 2HB PCA 1 -14.202 1.823 -6.618 233 HB3 PCA 1 1HB PCA 1 -15.691 2.349 -5.783 234 HG2 PCA 1 2HG PCA 1 -14.822 2.987 -8.472 235 HG3 PCA 1 1HG PCA 1 -16.318 3.532 -7.640 236 H LEU 2 H LEU 2 -12.204 5.065 -5.695 237 HA LEU 2 HA LEU 2 -9.957 3.380 -6.404 238 HB2 LEU 2 2HB LEU 2 -9.931 6.106 -5.154 239 HB3 LEU 2 1HB LEU 2 -8.555 5.299 -5.876 240 HG LEU 2 HG LEU 2 -11.026 6.210 -7.345 241 HD11 LEU 2 1HD1 LEU 2 -9.510 7.841 -8.364 242 HD12 LEU 2 2HD1 LEU 2 -8.217 7.298 -7.294 243 HD13 LEU 2 3HD1 LEU 2 -9.654 8.074 -6.626 244 HD21 LEU 2 3HD2 LEU 2 -10.038 4.216 -8.349 245 HD22 LEU 2 1HD2 LEU 2 -8.460 5.007 -8.363 246 HD23 LEU 2 2HD2 LEU 2 -9.772 5.640 -9.352 247 H TYR 3 H TYR 3 -10.934 4.692 -3.343 248 HA TYR 3 HA TYR 3 -8.654 3.405 -2.219 249 HB2 TYR 3 2HB TYR 3 -9.650 5.612 -1.386 250 HB3 TYR 3 1HB TYR 3 -10.886 4.609 -0.609 251 HD1 TYR 3 2HD TYR 3 -7.261 4.608 -1.123 252 HD2 TYR 3 1HD TYR 3 -10.453 3.996 1.594 253 HE1 TYR 3 2HE TYR 3 -5.671 4.052 0.526 254 HE2 TYR 3 1HE TYR 3 -8.842 3.408 3.350 255 HH TYR 3 HH TYR 3 -5.553 4.056 3.020 256 H SER 4 H SER 4 -12.084 2.930 -2.426 257 HA SER 4 HA SER 4 -12.487 0.853 -0.674 258 HB2 SER 4 2HB SER 4 -13.750 1.260 -3.372 259 HB3 SER 4 1HB SER 4 -14.461 0.456 -1.970 260 HG SER 4 HG SER 4 -14.998 2.276 -1.216 261 H ALA 5 H ALA 5 -11.647 0.733 -4.140 262 HA ALA 5 HA ALA 5 -11.559 -2.071 -4.286 263 HB1 ALA 5 1HB ALA 5 -10.528 -1.745 -6.458 264 HB2 ALA 5 2HB ALA 5 -10.232 -0.049 -6.066 265 HB3 ALA 5 3HB ALA 5 -11.885 -0.636 -6.244 266 H LEU 6 H LEU 6 -9.030 0.350 -3.745 267 HA LEU 6 HA LEU 6 -6.877 -1.476 -3.805 268 HB2 LEU 6 2HB LEU 6 -6.528 0.960 -3.915 269 HB3 LEU 6 1HB LEU 6 -7.118 1.126 -2.274 270 HG LEU 6 HG LEU 6 -5.187 -0.314 -1.536 271 HD11 LEU 6 1HD1 LEU 6 -3.256 -0.487 -3.017 272 HD12 LEU 6 2HD1 LEU 6 -4.219 0.172 -4.338 273 HD13 LEU 6 3HD1 LEU 6 -4.649 -1.381 -3.620 274 HD21 LEU 6 3HD2 LEU 6 -5.151 2.096 -1.228 275 HD22 LEU 6 1HD2 LEU 6 -4.534 2.309 -2.865 276 HD23 LEU 6 2HD2 LEU 6 -3.542 1.509 -1.648 277 H ALA 7 H ALA 7 -8.738 -0.136 -1.090 278 HA ALA 7 HA ALA 7 -7.476 -1.432 1.000 279 HB1 ALA 7 1HB ALA 7 -9.516 -1.051 2.274 280 HB2 ALA 7 2HB ALA 7 -10.401 -0.730 0.783 281 HB3 ALA 7 3HB ALA 7 -9.116 0.363 1.300 282 H ASN 8 H ASN 8 -10.269 -2.466 -0.862 283 HA ASN 8 HA ASN 8 -10.728 -4.909 0.434 284 HB2 ASN 8 2HB ASN 8 -12.376 -3.902 -1.055 285 HB3 ASN 8 1HB ASN 8 -11.288 -4.093 -2.422 286 HD21 ASN 8 1HD2 ASN 8 -11.138 -6.103 -3.438 287 HD22 ASN 8 2HD2 ASN 8 -12.156 -7.411 -3.024 288 H LYS 9 H LYS 9 -8.685 -4.054 -2.264 289 HA LYS 9 HA LYS 9 -8.103 -6.712 -3.065 290 HB2 LYS 9 2HB LYS 9 -7.924 -4.583 -4.486 291 HB3 LYS 9 1HB LYS 9 -6.505 -4.227 -3.559 292 HG2 LYS 9 2HG LYS 9 -5.314 -6.073 -4.403 293 HG3 LYS 9 1HG LYS 9 -6.760 -6.731 -5.180 294 HD2 LYS 9 2HD LYS 9 -6.895 -4.712 -6.577 295 HD3 LYS 9 1HD LYS 9 -5.408 -4.125 -5.832 296 HE2 LYS 9 2HE LYS 9 -4.178 -5.979 -6.721 297 HE3 LYS 9 1HE LYS 9 -5.654 -6.713 -7.350 298 HZ1 LYS 9 3HZ LYS 9 -4.464 -4.137 -8.225 299 HZ2 LYS 9 1HZ LYS 9 -5.912 -4.795 -8.810 300 HZ3 LYS 9 2HZ LYS 9 -4.455 -5.593 -9.081 301 H CYS 10 H CYS 10 -6.263 -4.371 -1.166 302 HA CYS 10 HA CYS 10 -4.081 -6.180 -0.764 303 HB2 CYS 10 2HB CYS 10 -4.883 -3.905 1.030 304 HB3 CYS 10 1HB CYS 10 -3.271 -4.542 0.750 305 H CYS 11 H CYS 11 -7.085 -5.479 0.932 306 HA CYS 11 HA CYS 11 -6.420 -6.814 3.325 307 HB2 CYS 11 2HB CYS 11 -8.272 -5.090 2.924 308 HB3 CYS 11 1HB CYS 11 -9.203 -6.394 2.220 309 H HIS 12 H HIS 12 -7.796 -7.847 0.242 310 HA HIS 12 HA HIS 12 -8.243 -10.488 1.362 311 HB2 HIS 12 2HB HIS 12 -9.089 -9.212 -1.209 312 HB3 HIS 12 1HB HIS 12 -9.229 -10.945 -0.981 313 HD1 HIS 12 1HD HIS 12 -11.233 -11.745 0.478 314 HD2 HIS 12 2HD HIS 12 -10.691 -7.635 0.464 315 HE1 HIS 12 1HE HIS 12 -13.259 -10.779 1.616 316 H VAL 13 H VAL 13 -6.616 -9.202 -1.540 317 HA VAL 13 HA VAL 13 -5.144 -11.717 -1.550 318 HB VAL 13 HB VAL 13 -4.477 -11.148 -3.894 319 HG11 VAL 13 1HG1 VAL 13 -6.260 -12.760 -3.422 320 HG12 VAL 13 2HG1 VAL 13 -6.682 -11.822 -4.859 321 HG13 VAL 13 3HG1 VAL 13 -7.425 -11.441 -3.305 322 HG21 VAL 13 3HG2 VAL 13 -4.934 -8.762 -3.936 323 HG22 VAL 13 1HG2 VAL 13 -6.649 -9.060 -3.660 324 HG23 VAL 13 2HG2 VAL 13 -5.897 -9.572 -5.170 325 H GLY 14 H GLY 14 -4.604 -8.326 -2.027 326 HA2 GLY 14 2HA GLY 14 -2.648 -7.516 -0.545 327 HA3 GLY 14 1HA GLY 14 -1.765 -8.730 -1.404 328 H CYS 15 H CYS 15 -1.083 -6.064 -1.449 329 HA CYS 15 HA CYS 15 -1.382 -5.584 -4.283 330 HB2 CYS 15 2HB CYS 15 -1.721 -3.170 -3.827 331 HB3 CYS 15 1HB CYS 15 -3.082 -4.187 -3.374 332 H THR 16 H THR 16 0.239 -4.107 -5.048 333 HA THR 16 HA THR 16 2.657 -4.564 -3.684 334 HB THR 16 HB THR 16 3.601 -3.292 -5.648 335 HG1 THR 16 1HG THR 16 1.667 -3.516 -7.366 336 HG21 THR 16 3HG2 THR 16 1.898 -5.728 -6.125 337 HG22 THR 16 1HG2 THR 16 3.576 -5.701 -5.591 338 HG23 THR 16 2HG2 THR 16 3.155 -5.147 -7.216 339 H LYS 17 H LYS 17 3.987 -3.002 -3.023 340 HA LYS 17 HA LYS 17 2.887 -0.842 -1.509 341 HB2 LYS 17 2HB LYS 17 5.146 -2.095 -1.351 342 HB3 LYS 17 1HB LYS 17 5.715 -0.922 -2.522 343 HG2 LYS 17 2HG LYS 17 6.394 -0.145 -0.446 344 HG3 LYS 17 1HG LYS 17 4.992 0.860 -0.860 345 HD2 LYS 17 2HD LYS 17 4.773 0.254 1.445 346 HD3 LYS 17 1HD LYS 17 3.614 -0.737 0.559 347 HE2 LYS 17 2HE LYS 17 4.762 -2.115 2.180 348 HE3 LYS 17 1HE LYS 17 5.272 -2.609 0.573 349 HZ1 LYS 17 3HZ LYS 17 7.240 -0.915 1.089 350 HZ2 LYS 17 1HZ LYS 17 7.276 -2.475 1.735 351 HZ3 LYS 17 2HZ LYS 17 6.764 -1.204 2.661 352 H ARG 18 H ARG 18 4.247 -1.143 -4.659 353 HA ARG 18 HA ARG 18 4.401 1.528 -5.502 354 HB2 ARG 18 2HB ARG 18 3.768 -0.929 -7.153 355 HB3 ARG 18 1HB ARG 18 4.420 0.588 -7.749 356 HG2 ARG 18 2HG ARG 18 6.490 0.203 -6.522 357 HG3 ARG 18 1HG ARG 18 5.834 -1.292 -5.856 358 HD2 ARG 18 2HD ARG 18 6.351 -0.728 -8.788 359 HD3 ARG 18 1HD ARG 18 7.347 -1.716 -7.733 360 HE ARG 18 HE ARG 18 5.670 -3.371 -7.701 361 HH11 ARG 18 1HH1 ARG 18 4.913 -0.729 -9.960 362 HH12 ARG 18 2HH1 ARG 18 3.755 -1.640 -10.822 363 HH21 ARG 18 1HH2 ARG 18 4.134 -4.599 -8.933 364 HH22 ARG 18 2HH2 ARG 18 3.303 -3.885 -10.242 365 H SER 19 H SER 19 1.752 -0.747 -5.250 366 HA SER 19 HA SER 19 -0.061 0.714 -6.858 367 HB2 SER 19 2HB SER 19 -0.284 -1.705 -6.617 368 HB3 SER 19 1HB SER 19 -0.526 -1.557 -4.890 369 HG SER 19 HG SER 19 -2.321 0.000 -5.831 370 H LEU 20 H LEU 20 0.440 0.288 -3.350 371 HA LEU 20 HA LEU 20 -1.647 2.207 -2.753 372 HB2 LEU 20 2HB LEU 20 0.606 1.873 -0.745 373 HB3 LEU 20 1HB LEU 20 -1.059 2.264 -0.524 374 HG LEU 20 HG LEU 20 -1.611 -0.139 -1.138 375 HD11 LEU 20 1HD1 LEU 20 0.100 -1.745 -0.636 376 HD12 LEU 20 2HD1 LEU 20 1.263 -0.449 -0.380 377 HD13 LEU 20 3HD1 LEU 20 0.605 -0.741 -1.995 378 HD21 LEU 20 3HD2 LEU 20 -0.164 0.589 1.382 379 HD22 LEU 20 1HD2 LEU 20 -1.139 -0.863 1.148 380 HD23 LEU 20 2HD2 LEU 20 -1.902 0.716 1.052 381 H ALA 21 H ALA 21 1.611 2.410 -3.503 382 HA ALA 21 HA ALA 21 2.062 5.075 -2.776 383 HB1 ALA 21 1HB ALA 21 3.895 5.097 -4.341 384 HB2 ALA 21 2HB ALA 21 3.248 3.675 -5.158 385 HB3 ALA 21 3HB ALA 21 3.848 3.544 -3.505 386 H ARG 22 H ARG 22 0.638 3.796 -5.743 387 HA ARG 22 HA ARG 22 0.480 6.455 -6.836 388 HB2 ARG 22 2HB ARG 22 -0.745 5.499 -8.743 389 HB3 ARG 22 1HB ARG 22 0.755 4.654 -8.424 390 HG2 ARG 22 2HG ARG 22 -0.416 2.800 -7.474 391 HG3 ARG 22 1HG ARG 22 -1.948 3.674 -7.544 392 HD2 ARG 22 2HD ARG 22 -1.850 3.707 -9.968 393 HD3 ARG 22 1HD ARG 22 -0.273 2.928 -9.941 394 HE ARG 22 HE ARG 22 -1.311 0.950 -9.119 395 HH11 ARG 22 1HH1 ARG 22 -3.657 3.391 -10.210 396 HH12 ARG 22 2HH1 ARG 22 -4.836 2.265 -10.657 397 HH21 ARG 22 1HH2 ARG 22 -2.982 -0.595 -9.676 398 HH22 ARG 22 2HH2 ARG 22 -4.465 -0.063 -10.308 399 H PHE 23 H PHE 23 -1.414 4.696 -4.731 400 HA PHE 23 HA PHE 23 -3.767 6.292 -5.375 401 HB2 PHE 23 2HB PHE 23 -3.395 3.985 -3.498 402 HB3 PHE 23 1HB PHE 23 -4.832 4.995 -3.426 403 HD1 PHE 23 1HD PHE 23 -6.357 5.080 -5.386 404 HD2 PHE 23 2HD PHE 23 -3.117 2.350 -5.188 405 HE1 PHE 23 1HE PHE 23 -7.376 3.738 -7.177 406 HE2 PHE 23 2HE PHE 23 -4.124 1.009 -6.975 407 HZ PHE 23 HZ PHE 23 -6.253 1.701 -7.973 408 H CYS 24 H CYS 24 -1.587 5.733 -2.797 409 HA CYS 24 HA CYS 24 -2.509 7.719 -1.026 410 HB2 CYS 24 2HB CYS 24 -0.986 6.001 -0.242 411 HB3 CYS 24 1HB CYS 24 0.243 6.501 -1.388 412 HN1 NH2 25 HT1 CYS 24 0.534 7.999 -2.882 413 HN2 NH2 25 HT2 CYS 24 0.324 9.667 -3.260 Start of MODEL 15 1 H1 ASP 1 1HT ASP 1 12.125 1.129 1.894 2 H2 ASP 1 2HT ASP 1 12.984 -0.317 1.830 3 H3 ASP 1 3HT ASP 1 11.992 0.017 3.171 4 HA ASP 1 HA ASP 1 10.956 -1.584 1.705 5 HB2 ASP 1 2HB ASP 1 9.643 1.125 1.525 6 HB3 ASP 1 1HB ASP 1 8.852 -0.425 1.341 7 H SER 2 H SER 2 10.171 -2.083 -0.334 8 HA SER 2 HA SER 2 11.443 -0.532 -2.487 9 HB2 SER 2 2HB SER 2 10.240 -3.274 -2.701 10 HB3 SER 2 1HB SER 2 11.352 -2.488 -3.802 11 HG SER 2 HG SER 2 12.738 -2.446 -1.726 12 H TRP 3 H TRP 3 10.159 0.184 -4.121 13 HA TRP 3 HA TRP 3 7.317 0.186 -3.515 14 HB2 TRP 3 2HB TRP 3 8.769 1.855 -5.576 15 HB3 TRP 3 1HB TRP 3 7.090 2.028 -5.092 16 HD1 TRP 3 HD TRP 3 9.655 4.179 -4.838 17 HE1 TRP 3 1HE TRP 3 9.954 5.367 -2.595 18 HE3 TRP 3 3HE TRP 3 6.991 0.999 -1.818 19 HZ2 TRP 3 2HZ TRP 3 9.210 5.021 0.080 20 HZ3 TRP 3 3HZ TRP 3 6.853 1.483 0.529 21 HH2 TRP 3 HH TRP 3 7.937 3.468 1.499 22 H MET 4 H MET 4 9.511 -0.538 -6.174 23 HA MET 4 HA MET 4 7.411 -1.151 -7.980 24 HB2 MET 4 2HB MET 4 9.752 -0.402 -8.588 25 HB3 MET 4 1HB MET 4 10.290 -2.034 -8.239 26 HG2 MET 4 2HG MET 4 8.212 -1.345 -10.325 27 HG3 MET 4 1HG MET 4 9.925 -1.500 -10.667 28 HE1 MET 4 3HE MET 4 11.234 -3.779 -10.663 29 HE2 MET 4 1HE MET 4 10.548 -5.309 -10.110 30 HE3 MET 4 2HE MET 4 10.808 -3.996 -8.964 31 H GLU 5 H GLU 5 9.595 -3.263 -6.083 32 HA GLU 5 HA GLU 5 7.553 -5.280 -6.551 33 HB2 GLU 5 2HB GLU 5 9.629 -5.786 -7.851 34 HB3 GLU 5 1HB GLU 5 10.487 -5.926 -6.319 35 HG2 GLU 5 2HG GLU 5 8.803 -7.676 -5.660 36 HG3 GLU 5 1HG GLU 5 8.234 -7.639 -7.322 37 H GLU 6 H GLU 6 6.615 -4.691 -4.672 38 HA GLU 6 HA GLU 6 7.530 -6.310 -2.516 39 HB2 GLU 6 2HB GLU 6 8.246 -3.665 -2.162 40 HB3 GLU 6 1HB GLU 6 6.533 -3.657 -1.807 41 HG2 GLU 6 2HG GLU 6 6.655 -5.023 0.020 42 HG3 GLU 6 1HG GLU 6 8.282 -5.568 -0.364 43 H VAL 7 H VAL 7 5.767 -6.905 -1.414 44 HA VAL 7 HA VAL 7 3.179 -5.935 -2.259 45 HB VAL 7 HB VAL 7 3.540 -7.656 -3.928 46 HG11 VAL 7 1HG1 VAL 7 4.187 -9.492 -1.644 47 HG12 VAL 7 2HG1 VAL 7 5.279 -8.942 -2.920 48 HG13 VAL 7 3HG1 VAL 7 3.922 -10.004 -3.306 49 HG21 VAL 7 3HG2 VAL 7 1.266 -7.560 -3.051 50 HG22 VAL 7 1HG2 VAL 7 1.691 -8.698 -1.775 51 HG23 VAL 7 2HG2 VAL 7 1.689 -9.224 -3.455 52 H ILE 8 H ILE 8 1.784 -5.916 -0.718 53 HA ILE 8 HA ILE 8 2.475 -7.403 1.698 54 HB ILE 8 HB ILE 8 1.638 -5.582 3.065 55 HG12 ILE 8 2HG1 ILE 8 1.313 -4.111 0.455 56 HG13 ILE 8 1HG1 ILE 8 0.022 -4.641 1.507 57 HG21 ILE 8 1HG2 ILE 8 3.451 -3.946 2.715 58 HG22 ILE 8 2HG2 ILE 8 3.779 -4.674 1.142 59 HG23 ILE 8 3HG2 ILE 8 4.018 -5.614 2.612 60 HD11 ILE 8 3HD1 ILE 8 0.406 -2.249 1.741 61 HD12 ILE 8 1HD1 ILE 8 2.076 -2.556 2.213 62 HD13 ILE 8 2HD1 ILE 8 0.752 -3.103 3.244 63 H LYS 9 H LYS 9 0.640 -7.553 3.111 64 HA LYS 9 HA LYS 9 -1.916 -7.605 1.745 65 HB2 LYS 9 2HB LYS 9 -0.981 -9.883 1.627 66 HB3 LYS 9 1HB LYS 9 -0.820 -9.913 3.376 67 HG2 LYS 9 2HG LYS 9 -3.265 -9.722 3.589 68 HG3 LYS 9 1HG LYS 9 -3.407 -9.733 1.832 69 HD2 LYS 9 2HD LYS 9 -2.220 -11.946 3.506 70 HD3 LYS 9 1HD LYS 9 -3.849 -11.941 2.835 71 HE2 LYS 9 2HE LYS 9 -2.888 -11.832 0.565 72 HE3 LYS 9 1HE LYS 9 -1.270 -11.860 1.260 73 HZ1 LYS 9 3HZ LYS 9 -1.909 -14.039 0.513 74 HZ2 LYS 9 1HZ LYS 9 -3.293 -14.017 1.468 75 HZ3 LYS 9 2HZ LYS 9 -1.770 -14.040 2.188 76 H LEU 10 H LEU 10 -2.094 -5.718 2.919 77 HA LEU 10 HA LEU 10 -2.640 -6.009 5.798 78 HB2 LEU 10 2HB LEU 10 -1.391 -3.777 4.249 79 HB3 LEU 10 1HB LEU 10 -2.374 -3.408 5.630 80 HG LEU 10 HG LEU 10 -0.915 -4.583 7.116 81 HD11 LEU 10 1HD1 LEU 10 1.207 -5.574 6.391 82 HD12 LEU 10 2HD1 LEU 10 0.806 -5.192 4.721 83 HD13 LEU 10 3HD1 LEU 10 -0.149 -6.388 5.600 84 HD21 LEU 10 3HD2 LEU 10 1.052 -3.180 6.959 85 HD22 LEU 10 1HD2 LEU 10 -0.402 -2.269 6.579 86 HD23 LEU 10 2HD2 LEU 10 0.670 -2.801 5.284 87 H CYS 11 H CYS 11 -4.070 -4.103 6.428 88 HA CYS 11 HA CYS 11 -6.275 -3.798 4.531 89 HB2 CYS 11 2HB CYS 11 -6.390 -5.083 7.145 90 HB3 CYS 11 1HB CYS 11 -7.865 -4.793 6.203 91 H GLY 12 H GLY 12 -7.918 -2.378 5.550 92 HA2 GLY 12 2HA GLY 12 -8.575 -0.477 6.685 93 HA3 GLY 12 1HA GLY 12 -8.082 -1.430 8.054 94 H ARG 13 H ARG 13 -7.003 -0.374 9.332 95 HA ARG 13 HA ARG 13 -5.754 2.101 8.714 96 HB2 ARG 13 2HB ARG 13 -5.735 0.499 11.262 97 HB3 ARG 13 1HB ARG 13 -5.042 2.106 11.096 98 HG2 ARG 13 2HG ARG 13 -7.948 1.355 10.778 99 HG3 ARG 13 1HG ARG 13 -7.230 2.233 12.129 100 HD2 ARG 13 2HD ARG 13 -7.412 3.170 9.261 101 HD3 ARG 13 1HD ARG 13 -8.360 3.768 10.618 102 HE ARG 13 HE ARG 13 -5.824 4.153 11.411 103 HH11 ARG 13 1HH1 ARG 13 -7.629 5.157 8.528 104 HH12 ARG 13 2HH1 ARG 13 -6.712 6.581 8.281 105 HH21 ARG 13 1HH2 ARG 13 -4.547 6.106 11.033 106 HH22 ARG 13 2HH2 ARG 13 -4.917 7.118 9.724 107 H GLU 14 H GLU 14 -4.519 -1.191 9.086 108 HA GLU 14 HA GLU 14 -1.759 -0.485 9.349 109 HB2 GLU 14 2HB GLU 14 -3.144 -2.943 8.249 110 HB3 GLU 14 1HB GLU 14 -1.402 -2.795 8.367 111 HG2 GLU 14 2HG GLU 14 -3.286 -2.655 10.696 112 HG3 GLU 14 1HG GLU 14 -2.430 -4.106 10.173 113 H LEU 15 H LEU 15 -3.976 -0.868 6.757 114 HA LEU 15 HA LEU 15 -2.146 -0.925 4.607 115 HB2 LEU 15 2HB LEU 15 -4.722 -1.400 4.814 116 HB3 LEU 15 1HB LEU 15 -4.854 0.296 4.411 117 HG LEU 15 HG LEU 15 -3.559 -0.176 2.327 118 HD11 LEU 15 1HD1 LEU 15 -3.469 -2.573 1.672 119 HD12 LEU 15 2HD1 LEU 15 -3.984 -2.976 3.326 120 HD13 LEU 15 3HD1 LEU 15 -2.438 -2.189 3.053 121 HD21 LEU 15 3HD2 LEU 15 -6.083 -1.742 2.756 122 HD22 LEU 15 1HD2 LEU 15 -5.433 -1.234 1.197 123 HD23 LEU 15 2HD2 LEU 15 -6.001 -0.022 2.354 124 H VAL 16 H VAL 16 -3.962 1.611 6.247 125 HA VAL 16 HA VAL 16 -3.010 3.805 4.673 126 HB VAL 16 HB VAL 16 -4.030 3.853 7.538 127 HG11 VAL 16 1HG1 VAL 16 -3.929 6.040 5.466 128 HG12 VAL 16 2HG1 VAL 16 -2.899 5.905 6.893 129 HG13 VAL 16 3HG1 VAL 16 -4.636 6.161 7.079 130 HG21 VAL 16 3HG2 VAL 16 -5.578 4.146 4.965 131 HG22 VAL 16 1HG2 VAL 16 -6.228 4.391 6.586 132 HG23 VAL 16 2HG2 VAL 16 -5.670 2.793 6.092 133 H ARG 17 H ARG 17 -1.936 2.298 7.654 134 HA ARG 17 HA ARG 17 0.151 4.013 8.350 135 HB2 ARG 17 2HB ARG 17 -0.086 1.029 8.659 136 HB3 ARG 17 1HB ARG 17 1.199 1.933 9.410 137 HG2 ARG 17 2HG ARG 17 -0.535 3.210 10.661 138 HG3 ARG 17 1HG ARG 17 -1.746 2.139 9.954 139 HD2 ARG 17 2HD ARG 17 -1.083 1.382 12.186 140 HD3 ARG 17 1HD ARG 17 -0.646 0.198 10.954 141 HE ARG 17 HE ARG 17 1.426 2.062 11.553 142 HH11 ARG 17 1HH1 ARG 17 0.049 -1.094 12.528 143 HH12 ARG 17 2HH1 ARG 17 1.475 -1.568 13.341 144 HH21 ARG 17 1HH2 ARG 17 3.337 1.325 12.610 145 HH22 ARG 17 2HH2 ARG 17 3.366 -0.186 13.386 146 H ALA 18 H ALA 18 0.092 1.328 6.149 147 HA ALA 18 HA ALA 18 2.867 1.424 5.463 148 HB1 ALA 18 1HB ALA 18 2.285 -0.115 3.649 149 HB2 ALA 18 2HB ALA 18 0.572 0.186 3.936 150 HB3 ALA 18 3HB ALA 18 1.544 -0.621 5.167 151 H GLN 19 H GLN 19 -0.083 2.660 4.024 152 HA GLN 19 HA GLN 19 0.849 3.789 1.688 153 HB2 GLN 19 2HB GLN 19 -1.218 4.629 3.635 154 HB3 GLN 19 1HB GLN 19 -1.021 5.543 2.185 155 HG2 GLN 19 2HG GLN 19 -1.345 3.213 1.063 156 HG3 GLN 19 1HG GLN 19 -2.035 2.783 2.634 157 HE21 GLN 19 1HE2 GLN 19 -2.345 4.595 -0.204 158 HE22 GLN 19 2HE2 GLN 19 -3.941 5.194 0.045 159 H ILE 20 H ILE 20 0.336 5.357 4.821 160 HA ILE 20 HA ILE 20 1.473 7.831 4.287 161 HB ILE 20 HB ILE 20 1.227 6.405 6.957 162 HG12 ILE 20 2HG1 ILE 20 -0.450 8.574 5.673 163 HG13 ILE 20 1HG1 ILE 20 -0.882 6.873 5.763 164 HG21 ILE 20 1HG2 ILE 20 1.514 8.606 8.024 165 HG22 ILE 20 2HG2 ILE 20 1.855 9.325 6.451 166 HG23 ILE 20 3HG2 ILE 20 2.961 8.134 7.133 167 HD11 ILE 20 3HD1 ILE 20 -0.510 8.721 8.108 168 HD12 ILE 20 1HD1 ILE 20 -0.978 7.023 8.185 169 HD13 ILE 20 2HD1 ILE 20 -2.055 8.201 7.432 170 H ALA 21 H ALA 21 3.033 4.873 5.324 171 HA ALA 21 HA ALA 21 5.571 5.991 5.827 172 HB1 ALA 21 1HB ALA 21 6.419 3.699 5.616 173 HB2 ALA 21 2HB ALA 21 4.879 3.201 4.909 174 HB3 ALA 21 3HB ALA 21 4.944 3.745 6.582 175 H ILE 22 H ILE 22 3.982 4.931 2.898 176 HA ILE 22 HA ILE 22 6.282 5.215 1.199 177 HB ILE 22 HB ILE 22 3.357 5.257 0.376 178 HG12 ILE 22 2HG1 ILE 22 5.214 2.874 0.532 179 HG13 ILE 22 1HG1 ILE 22 3.941 3.221 1.696 180 HG21 ILE 22 1HG2 ILE 22 4.898 6.041 -1.348 181 HG22 ILE 22 2HG2 ILE 22 4.232 4.469 -1.792 182 HG23 ILE 22 3HG2 ILE 22 5.873 4.584 -1.160 183 HD11 ILE 22 3HD1 ILE 22 3.565 2.617 -1.227 184 HD12 ILE 22 1HD1 ILE 22 2.287 3.019 -0.082 185 HD13 ILE 22 2HD1 ILE 22 3.221 1.537 0.127 186 H CYS 23 H CYS 23 3.565 7.194 2.206 187 HA CYS 23 HA CYS 23 4.101 9.347 0.401 188 HB2 CYS 23 2HB CYS 23 2.327 8.987 2.770 189 HB3 CYS 23 1HB CYS 23 2.643 10.609 2.179 190 H GLY 24 H GLY 24 5.186 8.502 3.515 191 HA2 GLY 24 2HA GLY 24 6.460 10.991 4.097 192 HA3 GLY 24 1HA GLY 24 6.764 9.457 4.908 193 H MET 25 H MET 25 7.237 8.315 2.101 194 HA MET 25 HA MET 25 10.005 9.284 1.843 195 HB2 MET 25 2HB MET 25 8.954 6.472 1.534 196 HB3 MET 25 1HB MET 25 10.599 6.957 1.142 197 HG2 MET 25 2HG MET 25 9.296 7.059 3.846 198 HG3 MET 25 1HG MET 25 10.490 5.875 3.312 199 HE1 MET 25 3HE MET 25 12.418 8.056 5.958 200 HE2 MET 25 1HE MET 25 11.912 6.428 5.509 201 HE3 MET 25 2HE MET 25 10.708 7.623 5.995 202 H SER 26 H SER 26 7.720 10.216 0.439 203 HA SER 26 HA SER 26 7.756 9.056 -2.217 204 HB2 SER 26 2HB SER 26 6.381 11.521 -1.147 205 HB3 SER 26 1HB SER 26 6.146 10.849 -2.763 206 HG SER 26 HG SER 26 5.871 8.971 -0.805 207 H THR 27 H THR 27 10.280 10.037 -1.384 208 HA THR 27 HA THR 27 10.773 12.534 -2.716 209 HB THR 27 HB THR 27 12.810 10.533 -1.754 210 HG1 THR 27 1HG THR 27 11.274 12.436 -0.315 211 HG21 THR 27 3HG2 THR 27 12.817 13.551 -1.931 212 HG22 THR 27 1HG2 THR 27 13.692 12.454 -2.997 213 HG23 THR 27 2HG2 THR 27 14.134 12.570 -1.289 214 H TRP 28 H TRP 28 10.590 9.384 -3.449 215 HA TRP 28 HA TRP 28 11.368 9.830 -6.207 216 HB2 TRP 28 2HB TRP 28 12.615 7.693 -6.381 217 HB3 TRP 28 1HB TRP 28 13.392 8.789 -5.252 218 HD1 TRP 28 HD TRP 28 11.667 5.392 -5.446 219 HE1 TRP 28 1HE TRP 28 11.986 4.167 -3.206 220 HE3 TRP 28 3HE TRP 28 13.713 9.170 -2.713 221 HZ2 TRP 28 2HZ TRP 28 12.942 4.713 -0.641 222 HZ3 TRP 28 3HZ TRP 28 14.300 8.738 -0.357 223 HH2 TRP 28 HH TRP 28 13.922 6.544 0.650 224 H SER 29 H SER 29 10.193 8.613 -7.673 225 HA SER 29 HA SER 29 7.870 7.339 -6.531 226 HB2 SER 29 2HB SER 29 7.155 7.505 -9.016 227 HB3 SER 29 1HB SER 29 7.248 8.988 -8.064 228 HG SER 29 HG SER 29 9.074 7.969 -9.951 229 HN1 NH2 30 HT1 SER 29 8.590 5.349 -5.991 230 HN2 NH2 30 HT2 SER 29 9.211 4.179 -7.105 231 HA PCA 1 HA PCA 1 -14.322 4.890 -5.449 232 HB2 PCA 1 2HB PCA 1 -13.618 4.269 -2.728 233 HB3 PCA 1 1HB PCA 1 -14.677 5.588 -3.301 234 HG2 PCA 1 2HG PCA 1 -15.490 3.266 -1.873 235 HG3 PCA 1 1HG PCA 1 -16.576 4.412 -2.732 236 H LEU 2 H LEU 2 -12.156 4.979 -5.832 237 HA LEU 2 HA LEU 2 -10.717 2.494 -6.229 238 HB2 LEU 2 2HB LEU 2 -9.679 5.314 -6.338 239 HB3 LEU 2 1HB LEU 2 -8.854 3.879 -6.906 240 HG LEU 2 HG LEU 2 -11.325 5.115 -8.104 241 HD11 LEU 2 1HD1 LEU 2 -9.874 5.544 -10.015 242 HD12 LEU 2 2HD1 LEU 2 -8.510 4.863 -9.131 243 HD13 LEU 2 3HD1 LEU 2 -9.277 6.341 -8.559 244 HD21 LEU 2 3HD2 LEU 2 -11.078 3.404 -9.857 245 HD22 LEU 2 1HD2 LEU 2 -11.436 2.697 -8.282 246 HD23 LEU 2 2HD2 LEU 2 -9.793 2.647 -8.917 247 H TYR 3 H TYR 3 -10.594 4.755 -3.659 248 HA TYR 3 HA TYR 3 -8.333 3.354 -2.726 249 HB2 TYR 3 2HB TYR 3 -8.640 5.650 -1.966 250 HB3 TYR 3 1HB TYR 3 -10.143 5.191 -1.142 251 HD1 TYR 3 1HD TYR 3 -6.687 3.982 -1.447 252 HD2 TYR 3 2HD TYR 3 -9.977 4.741 1.104 253 HE1 TYR 3 1HE TYR 3 -5.445 3.086 0.330 254 HE2 TYR 3 2HE TYR 3 -8.727 3.853 2.990 255 HH TYR 3 HH TYR 3 -5.396 3.276 2.813 256 H SER 4 H SER 4 -11.755 3.106 -2.195 257 HA SER 4 HA SER 4 -11.643 1.264 -0.080 258 HB2 SER 4 2HB SER 4 -13.675 2.579 -0.770 259 HB3 SER 4 1HB SER 4 -13.816 1.540 -2.182 260 HG SER 4 HG SER 4 -13.656 0.337 0.320 261 H ALA 5 H ALA 5 -11.694 0.944 -3.580 262 HA ALA 5 HA ALA 5 -11.804 -1.829 -3.808 263 HB1 ALA 5 1HB ALA 5 -12.123 -0.282 -5.688 264 HB2 ALA 5 2HB ALA 5 -10.888 -1.487 -6.054 265 HB3 ALA 5 3HB ALA 5 -10.417 0.152 -5.614 266 H LEU 6 H LEU 6 -9.024 0.345 -3.464 267 HA LEU 6 HA LEU 6 -6.992 -1.580 -3.643 268 HB2 LEU 6 2HB LEU 6 -6.584 0.875 -3.680 269 HB3 LEU 6 1HB LEU 6 -7.022 0.964 -1.988 270 HG LEU 6 HG LEU 6 -5.068 -0.513 -1.464 271 HD11 LEU 6 1HD1 LEU 6 -3.322 -0.760 -3.145 272 HD12 LEU 6 2HD1 LEU 6 -4.398 -0.059 -4.355 273 HD13 LEU 6 3HD1 LEU 6 -4.808 -1.595 -3.588 274 HD21 LEU 6 3HD2 LEU 6 -3.357 1.233 -1.742 275 HD22 LEU 6 1HD2 LEU 6 -4.891 1.908 -1.198 276 HD23 LEU 6 2HD2 LEU 6 -4.403 2.071 -2.885 277 H ALA 7 H ALA 7 -8.789 -0.326 -0.886 278 HA ALA 7 HA ALA 7 -7.523 -1.724 1.157 279 HB1 ALA 7 1HB ALA 7 -10.418 -0.906 1.041 280 HB2 ALA 7 2HB ALA 7 -9.078 0.128 1.534 281 HB3 ALA 7 3HB ALA 7 -9.500 -1.287 2.499 282 H ASN 8 H ASN 8 -10.343 -2.649 -0.756 283 HA ASN 8 HA ASN 8 -10.739 -5.168 0.481 284 HB2 ASN 8 2HB ASN 8 -11.433 -4.301 -2.340 285 HB3 ASN 8 1HB ASN 8 -11.886 -5.849 -1.656 286 HD21 ASN 8 1HD2 ASN 8 -13.525 -5.907 -0.073 287 HD22 ASN 8 2HD2 ASN 8 -14.560 -4.540 0.149 288 H LYS 9 H LYS 9 -8.952 -4.196 -2.373 289 HA LYS 9 HA LYS 9 -8.258 -6.757 -3.270 290 HB2 LYS 9 2HB LYS 9 -8.162 -4.543 -4.524 291 HB3 LYS 9 1HB LYS 9 -6.668 -4.234 -3.671 292 HG2 LYS 9 2HG LYS 9 -6.182 -5.025 -5.874 293 HG3 LYS 9 1HG LYS 9 -5.698 -6.253 -4.698 294 HD2 LYS 9 2HD LYS 9 -7.648 -7.553 -5.183 295 HD3 LYS 9 1HD LYS 9 -8.312 -6.272 -6.200 296 HE2 LYS 9 2HE LYS 9 -5.771 -7.807 -6.731 297 HE3 LYS 9 1HE LYS 9 -7.325 -8.106 -7.511 298 HZ1 LYS 9 3HZ LYS 9 -5.931 -6.783 -8.922 299 HZ2 LYS 9 1HZ LYS 9 -5.711 -5.611 -7.736 300 HZ3 LYS 9 2HZ LYS 9 -7.228 -5.848 -8.415 301 H CYS 10 H CYS 10 -6.292 -4.476 -1.369 302 HA CYS 10 HA CYS 10 -4.101 -6.255 -1.062 303 HB2 CYS 10 2HB CYS 10 -4.955 -4.056 0.819 304 HB3 CYS 10 1HB CYS 10 -3.346 -4.744 0.655 305 H CYS 11 H CYS 11 -7.111 -5.878 0.692 306 HA CYS 11 HA CYS 11 -6.143 -7.374 2.915 307 HB2 CYS 11 2HB CYS 11 -7.974 -5.562 2.885 308 HB3 CYS 11 1HB CYS 11 -9.029 -6.850 2.326 309 H HIS 12 H HIS 12 -7.908 -8.095 -0.051 310 HA HIS 12 HA HIS 12 -8.583 -10.759 0.882 311 HB2 HIS 12 2HB HIS 12 -9.061 -9.296 -1.684 312 HB3 HIS 12 1HB HIS 12 -9.333 -11.024 -1.574 313 HD1 HIS 12 1HD HIS 12 -11.755 -11.595 -0.939 314 HD2 HIS 12 2HD HIS 12 -10.581 -7.837 0.383 315 HE1 HIS 12 1HE HIS 12 -13.806 -10.534 0.033 316 H VAL 13 H VAL 13 -6.549 -9.390 -1.624 317 HA VAL 13 HA VAL 13 -5.188 -11.987 -1.734 318 HB VAL 13 HB VAL 13 -4.527 -11.370 -4.078 319 HG11 VAL 13 1HG1 VAL 13 -6.310 -13.021 -3.611 320 HG12 VAL 13 2HG1 VAL 13 -6.752 -12.064 -5.031 321 HG13 VAL 13 3HG1 VAL 13 -7.481 -11.710 -3.464 322 HG21 VAL 13 3HG2 VAL 13 -5.014 -9.003 -4.064 323 HG22 VAL 13 1HG2 VAL 13 -6.720 -9.326 -3.752 324 HG23 VAL 13 2HG2 VAL 13 -6.004 -9.792 -5.293 325 H GLY 14 H GLY 14 -4.714 -8.577 -2.140 326 HA2 GLY 14 2HA GLY 14 -2.889 -7.718 -0.621 327 HA3 GLY 14 1HA GLY 14 -1.874 -8.893 -1.391 328 H CYS 15 H CYS 15 -0.959 -6.473 -1.630 329 HA CYS 15 HA CYS 15 -1.382 -5.871 -4.427 330 HB2 CYS 15 2HB CYS 15 -1.689 -3.463 -3.925 331 HB3 CYS 15 1HB CYS 15 -3.044 -4.474 -3.448 332 H THR 16 H THR 16 0.236 -4.349 -5.199 333 HA THR 16 HA THR 16 2.694 -4.835 -3.871 334 HB THR 16 HB THR 16 3.649 -3.530 -5.806 335 HG1 THR 16 1HG THR 16 1.376 -3.862 -7.314 336 HG21 THR 16 3HG2 THR 16 1.951 -5.938 -6.481 337 HG22 THR 16 1HG2 THR 16 3.585 -5.981 -5.819 338 HG23 THR 16 2HG2 THR 16 3.306 -5.341 -7.439 339 H LYS 17 H LYS 17 4.089 -3.173 -3.429 340 HA LYS 17 HA LYS 17 2.930 -1.089 -1.839 341 HB2 LYS 17 2HB LYS 17 5.224 -2.372 -1.854 342 HB3 LYS 17 1HB LYS 17 5.818 -0.987 -2.732 343 HG2 LYS 17 2HG LYS 17 6.296 -0.793 -0.458 344 HG3 LYS 17 1HG LYS 17 5.040 0.419 -0.809 345 HD2 LYS 17 2HD LYS 17 3.360 -1.081 0.155 346 HD3 LYS 17 1HD LYS 17 4.586 -2.327 0.391 347 HE2 LYS 17 2HE LYS 17 4.487 0.373 1.732 348 HE3 LYS 17 1HE LYS 17 4.101 -1.180 2.473 349 HZ1 LYS 17 3HZ LYS 17 6.324 -0.725 3.109 350 HZ2 LYS 17 1HZ LYS 17 6.749 -0.219 1.558 351 HZ3 LYS 17 2HZ LYS 17 6.471 -1.822 1.838 352 H ARG 18 H ARG 18 4.152 -1.227 -5.146 353 HA ARG 18 HA ARG 18 3.924 1.486 -5.864 354 HB2 ARG 18 2HB ARG 18 3.638 -1.058 -7.399 355 HB3 ARG 18 1HB ARG 18 3.134 0.437 -8.156 356 HG2 ARG 18 2HG ARG 18 5.391 1.331 -7.822 357 HG3 ARG 18 1HG ARG 18 5.868 -0.214 -7.110 358 HD2 ARG 18 2HD ARG 18 4.756 0.120 -9.898 359 HD3 ARG 18 1HD ARG 18 6.472 0.025 -9.520 360 HE ARG 18 HE ARG 18 5.697 -2.245 -8.463 361 HH11 ARG 18 1HH1 ARG 18 4.566 -0.874 -11.540 362 HH12 ARG 18 2HH1 ARG 18 4.398 -2.387 -12.290 363 HH21 ARG 18 1HH2 ARG 18 5.503 -4.309 -9.537 364 HH22 ARG 18 2HH2 ARG 18 4.941 -4.357 -11.144 365 H SER 19 H SER 19 1.532 -0.942 -5.331 366 HA SER 19 HA SER 19 -0.576 0.309 -6.723 367 HB2 SER 19 2HB SER 19 -0.459 -2.116 -6.301 368 HB3 SER 19 1HB SER 19 -0.609 -1.840 -4.576 369 HG SER 19 HG SER 19 -2.503 -1.030 -6.509 370 H LEU 20 H LEU 20 0.485 0.189 -3.338 371 HA LEU 20 HA LEU 20 -1.548 2.202 -2.623 372 HB2 LEU 20 2HB LEU 20 0.812 1.808 -0.746 373 HB3 LEU 20 1HB LEU 20 -0.781 2.311 -0.513 374 HG LEU 20 HG LEU 20 -1.642 0.032 -0.864 375 HD11 LEU 20 1HD1 LEU 20 1.257 -0.699 -0.655 376 HD12 LEU 20 2HD1 LEU 20 0.208 -0.954 -2.057 377 HD13 LEU 20 3HD1 LEU 20 -0.093 -1.828 -0.556 378 HD21 LEU 20 3HD2 LEU 20 0.325 0.391 1.358 379 HD22 LEU 20 1HD2 LEU 20 -1.041 -0.718 1.360 380 HD23 LEU 20 2HD2 LEU 20 -1.330 1.027 1.353 381 H ALA 21 H ALA 21 1.672 2.194 -3.562 382 HA ALA 21 HA ALA 21 2.366 4.835 -2.872 383 HB1 ALA 21 1HB ALA 21 4.175 4.725 -4.446 384 HB2 ALA 21 2HB ALA 21 3.387 3.416 -5.316 385 HB3 ALA 21 3HB ALA 21 3.996 3.141 -3.681 386 H ARG 22 H ARG 22 0.588 3.717 -5.642 387 HA ARG 22 HA ARG 22 0.675 6.255 -6.951 388 HB2 ARG 22 2HB ARG 22 -1.003 5.312 -8.509 389 HB3 ARG 22 1HB ARG 22 0.405 4.287 -8.316 390 HG2 ARG 22 2HG ARG 22 -0.964 2.957 -6.656 391 HG3 ARG 22 1HG ARG 22 -2.360 3.874 -7.229 392 HD2 ARG 22 2HD ARG 22 -2.157 1.741 -8.407 393 HD3 ARG 22 1HD ARG 22 -1.935 3.103 -9.507 394 HE ARG 22 HE ARG 22 0.547 2.261 -8.468 395 HH11 ARG 22 1HH1 ARG 22 -1.888 1.182 -10.828 396 HH12 ARG 22 2HH1 ARG 22 -0.767 0.415 -11.838 397 HH21 ARG 22 1HH2 ARG 22 2.078 1.239 -9.894 398 HH22 ARG 22 2HH2 ARG 22 1.524 0.425 -11.293 399 H PHE 23 H PHE 23 -1.179 5.010 -4.435 400 HA PHE 23 HA PHE 23 -3.176 7.142 -4.678 401 HB2 PHE 23 2HB PHE 23 -2.992 4.764 -2.805 402 HB3 PHE 23 1HB PHE 23 -4.200 6.029 -2.642 403 HD1 PHE 23 2HD PHE 23 -3.026 3.271 -4.784 404 HD2 PHE 23 1HD PHE 23 -6.116 6.069 -4.001 405 HE1 PHE 23 2HE PHE 23 -4.501 2.062 -6.335 406 HE2 PHE 23 1HE PHE 23 -7.597 4.878 -5.540 407 HZ PHE 23 HZ PHE 23 -6.795 2.864 -6.718 408 H CYS 24 H CYS 24 -1.033 5.740 -2.374 409 HA CYS 24 HA CYS 24 0.002 8.293 -1.544 410 HB2 CYS 24 2HB CYS 24 -1.932 8.151 -0.051 411 HB3 CYS 24 1HB CYS 24 -1.483 6.518 0.420 412 HN1 NH2 25 HT1 CYS 24 2.005 7.698 -2.060 413 HN2 NH2 25 HT2 CYS 24 2.809 6.281 -1.485 Start of MODEL 16 1 H1 ASP 1 1HT ASP 1 9.124 -2.686 1.317 2 H2 ASP 1 2HT ASP 1 8.941 -1.016 1.152 3 H3 ASP 1 3HT ASP 1 9.021 -1.727 2.702 4 HA ASP 1 HA ASP 1 11.044 -0.612 2.090 5 HB2 ASP 1 2HB ASP 1 11.138 -3.605 2.408 6 HB3 ASP 1 1HB ASP 1 12.559 -2.570 2.564 7 H SER 2 H SER 2 10.233 -3.279 -0.054 8 HA SER 2 HA SER 2 12.158 -2.268 -1.972 9 HB2 SER 2 2HB SER 2 9.994 -4.199 -2.502 10 HB3 SER 2 1HB SER 2 11.583 -4.150 -3.225 11 HG SER 2 HG SER 2 12.059 -4.482 -0.688 12 H TRP 3 H TRP 3 11.511 -0.751 -3.235 13 HA TRP 3 HA TRP 3 8.738 0.099 -3.034 14 HB2 TRP 3 2HB TRP 3 11.078 1.718 -4.016 15 HB3 TRP 3 1HB TRP 3 9.438 2.314 -3.754 16 HD1 TRP 3 HD TRP 3 12.623 2.235 -2.068 17 HE1 TRP 3 1HE TRP 3 12.391 2.547 0.479 18 HE3 TRP 3 3HE TRP 3 7.612 1.369 -1.575 19 HZ2 TRP 3 2HZ TRP 3 10.389 2.433 2.426 20 HZ3 TRP 3 3HZ TRP 3 6.632 1.463 0.673 21 HH2 TRP 3 HH TRP 3 7.985 1.990 2.629 22 H MET 4 H MET 4 10.911 -1.083 -5.408 23 HA MET 4 HA MET 4 9.182 -0.250 -7.567 24 HB2 MET 4 2HB MET 4 11.580 -2.096 -7.602 25 HB3 MET 4 1HB MET 4 10.667 -1.630 -9.022 26 HG2 MET 4 2HG MET 4 11.267 0.706 -8.653 27 HG3 MET 4 1HG MET 4 12.181 0.243 -7.223 28 HE1 MET 4 3HE MET 4 13.619 -2.465 -8.120 29 HE2 MET 4 1HE MET 4 14.431 -1.147 -7.273 30 HE3 MET 4 2HE MET 4 15.138 -1.821 -8.739 31 H GLU 5 H GLU 5 9.979 -3.286 -5.945 32 HA GLU 5 HA GLU 5 7.375 -4.227 -6.834 33 HB2 GLU 5 2HB GLU 5 8.999 -5.220 -8.356 34 HB3 GLU 5 1HB GLU 5 9.922 -5.843 -6.999 35 HG2 GLU 5 2HG GLU 5 8.069 -7.282 -6.377 36 HG3 GLU 5 1HG GLU 5 7.103 -6.625 -7.695 37 H GLU 6 H GLU 6 6.260 -4.392 -5.001 38 HA GLU 6 HA GLU 6 7.116 -6.322 -3.067 39 HB2 GLU 6 2HB GLU 6 7.894 -3.808 -2.305 40 HB3 GLU 6 1HB GLU 6 6.184 -3.773 -1.981 41 HG2 GLU 6 2HG GLU 6 6.205 -5.458 -0.398 42 HG3 GLU 6 1HG GLU 6 7.853 -5.930 -0.794 43 H VAL 7 H VAL 7 5.392 -7.002 -1.875 44 HA VAL 7 HA VAL 7 2.747 -5.991 -2.460 45 HB VAL 7 HB VAL 7 3.173 -7.668 -4.258 46 HG11 VAL 7 1HG1 VAL 7 3.580 -9.636 -2.031 47 HG12 VAL 7 2HG1 VAL 7 4.764 -9.107 -3.231 48 HG13 VAL 7 3HG1 VAL 7 3.365 -10.056 -3.729 49 HG21 VAL 7 3HG2 VAL 7 1.152 -8.615 -2.233 50 HG22 VAL 7 1HG2 VAL 7 1.199 -9.091 -3.931 51 HG23 VAL 7 2HG2 VAL 7 0.888 -7.410 -3.492 52 H ILE 8 H ILE 8 1.341 -6.367 -0.788 53 HA ILE 8 HA ILE 8 2.197 -8.075 1.410 54 HB ILE 8 HB ILE 8 1.830 -6.432 3.137 55 HG12 ILE 8 2HG1 ILE 8 0.079 -5.032 2.082 56 HG13 ILE 8 1HG1 ILE 8 1.356 -4.051 2.777 57 HG21 ILE 8 1HG2 ILE 8 3.680 -4.860 2.839 58 HG22 ILE 8 2HG2 ILE 8 3.755 -5.310 1.137 59 HG23 ILE 8 3HG2 ILE 8 4.085 -6.515 2.380 60 HD11 ILE 8 3HD1 ILE 8 0.926 -4.660 -0.136 61 HD12 ILE 8 1HD1 ILE 8 2.276 -3.734 0.523 62 HD13 ILE 8 2HD1 ILE 8 0.628 -3.131 0.694 63 H LYS 9 H LYS 9 0.343 -8.168 3.067 64 HA LYS 9 HA LYS 9 -2.225 -7.818 1.715 65 HB2 LYS 9 2HB LYS 9 -1.568 -10.217 1.707 66 HB3 LYS 9 1HB LYS 9 -1.384 -10.164 3.450 67 HG2 LYS 9 2HG LYS 9 -3.789 -9.695 3.673 68 HG3 LYS 9 1HG LYS 9 -3.958 -9.800 1.919 69 HD2 LYS 9 2HD LYS 9 -3.178 -12.121 1.986 70 HD3 LYS 9 1HD LYS 9 -2.991 -12.010 3.734 71 HE2 LYS 9 2HE LYS 9 -5.581 -11.720 2.210 72 HE3 LYS 9 1HE LYS 9 -5.087 -13.145 3.113 73 HZ1 LYS 9 3HZ LYS 9 -6.583 -11.833 4.452 74 HZ2 LYS 9 1HZ LYS 9 -5.663 -10.453 4.216 75 HZ3 LYS 9 2HZ LYS 9 -5.056 -11.709 5.130 76 H LEU 10 H LEU 10 -2.531 -5.898 2.800 77 HA LEU 10 HA LEU 10 -2.828 -6.073 5.731 78 HB2 LEU 10 2HB LEU 10 -1.698 -3.881 4.043 79 HB3 LEU 10 1HB LEU 10 -2.527 -3.491 5.508 80 HG LEU 10 HG LEU 10 -0.944 -4.607 6.863 81 HD11 LEU 10 1HD1 LEU 10 1.092 -5.679 5.944 82 HD12 LEU 10 2HD1 LEU 10 0.442 -5.455 4.317 83 HD13 LEU 10 3HD1 LEU 10 -0.378 -6.524 5.454 84 HD21 LEU 10 3HD2 LEU 10 -0.383 -2.348 6.170 85 HD22 LEU 10 1HD2 LEU 10 0.482 -2.982 4.775 86 HD23 LEU 10 2HD2 LEU 10 1.078 -3.309 6.402 87 H CYS 11 H CYS 11 -4.186 -4.219 6.495 88 HA CYS 11 HA CYS 11 -6.427 -3.580 4.725 89 HB2 CYS 11 2HB CYS 11 -6.977 -4.870 7.382 90 HB3 CYS 11 1HB CYS 11 -8.107 -4.487 6.096 91 H GLY 12 H GLY 12 -7.810 -1.950 5.678 92 HA2 GLY 12 2HA GLY 12 -8.275 -0.014 6.839 93 HA3 GLY 12 1HA GLY 12 -7.942 -1.029 8.212 94 H ARG 13 H ARG 13 -6.761 -0.172 9.526 95 HA ARG 13 HA ARG 13 -5.306 2.199 9.321 96 HB2 ARG 13 2HB ARG 13 -6.189 1.189 11.419 97 HB3 ARG 13 1HB ARG 13 -4.906 -0.006 11.339 98 HG2 ARG 13 2HG ARG 13 -3.254 1.782 11.534 99 HG3 ARG 13 1HG ARG 13 -4.562 2.963 11.637 100 HD2 ARG 13 2HD ARG 13 -5.412 1.683 13.631 101 HD3 ARG 13 1HD ARG 13 -3.910 0.758 13.582 102 HE ARG 13 HE ARG 13 -3.396 3.511 13.519 103 HH11 ARG 13 1HH1 ARG 13 -4.197 0.924 15.818 104 HH12 ARG 13 2HH1 ARG 13 -3.660 1.794 17.168 105 HH21 ARG 13 1HH2 ARG 13 -2.702 4.697 15.370 106 HH22 ARG 13 2HH2 ARG 13 -2.803 4.005 16.917 107 H GLU 14 H GLU 14 -4.274 -1.154 8.917 108 HA GLU 14 HA GLU 14 -1.500 -0.578 8.992 109 HB2 GLU 14 2HB GLU 14 -3.010 -2.888 7.794 110 HB3 GLU 14 1HB GLU 14 -1.265 -2.809 7.962 111 HG2 GLU 14 2HG GLU 14 -3.301 -2.839 10.172 112 HG3 GLU 14 1HG GLU 14 -2.202 -4.144 9.735 113 H LEU 15 H LEU 15 -3.907 -0.739 6.490 114 HA LEU 15 HA LEU 15 -2.213 -0.439 4.229 115 HB2 LEU 15 2HB LEU 15 -5.020 0.580 4.635 116 HB3 LEU 15 1HB LEU 15 -4.183 0.567 3.100 117 HG LEU 15 HG LEU 15 -4.864 -1.895 4.686 118 HD11 LEU 15 1HD1 LEU 15 -6.230 -0.648 2.307 119 HD12 LEU 15 2HD1 LEU 15 -6.874 -0.787 3.952 120 HD13 LEU 15 3HD1 LEU 15 -6.591 -2.235 2.996 121 HD21 LEU 15 3HD2 LEU 15 -4.343 -3.061 2.683 122 HD22 LEU 15 1HD2 LEU 15 -2.941 -2.132 3.195 123 HD23 LEU 15 2HD2 LEU 15 -3.933 -1.559 1.841 124 H VAL 16 H VAL 16 -3.763 1.886 6.354 125 HA VAL 16 HA VAL 16 -2.862 4.227 4.991 126 HB VAL 16 HB VAL 16 -3.592 3.916 7.931 127 HG11 VAL 16 1HG1 VAL 16 -4.094 6.305 7.876 128 HG12 VAL 16 2HG1 VAL 16 -3.536 6.389 6.203 129 HG13 VAL 16 3HG1 VAL 16 -2.401 5.992 7.496 130 HG21 VAL 16 3HG2 VAL 16 -5.831 4.693 7.294 131 HG22 VAL 16 1HG2 VAL 16 -5.417 3.167 6.512 132 HG23 VAL 16 2HG2 VAL 16 -5.347 4.674 5.599 133 H ARG 17 H ARG 17 -1.636 2.398 7.721 134 HA ARG 17 HA ARG 17 0.644 3.892 8.249 135 HB2 ARG 17 2HB ARG 17 0.007 0.993 8.608 136 HB3 ARG 17 1HB ARG 17 1.596 1.602 9.027 137 HG2 ARG 17 2HG ARG 17 0.571 3.178 10.594 138 HG3 ARG 17 1HG ARG 17 -1.020 2.557 10.157 139 HD2 ARG 17 2HD ARG 17 -0.582 0.457 11.119 140 HD3 ARG 17 1HD ARG 17 1.153 0.775 11.206 141 HE ARG 17 HE ARG 17 0.280 2.687 12.728 142 HH11 ARG 17 1HH1 ARG 17 -0.970 -0.670 12.745 143 HH12 ARG 17 2HH1 ARG 17 -1.127 -0.705 14.442 144 HH21 ARG 17 1HH2 ARG 17 0.011 2.578 15.034 145 HH22 ARG 17 2HH2 ARG 17 -0.576 1.145 15.752 146 H ALA 18 H ALA 18 0.198 1.301 5.985 147 HA ALA 18 HA ALA 18 2.860 1.245 5.037 148 HB1 ALA 18 1HB ALA 18 1.323 -0.627 4.687 149 HB2 ALA 18 2HB ALA 18 1.977 -0.056 3.150 150 HB3 ALA 18 3HB ALA 18 0.336 0.378 3.628 151 H GLN 19 H GLN 19 -0.045 2.821 3.841 152 HA GLN 19 HA GLN 19 0.927 4.075 1.574 153 HB2 GLN 19 2HB GLN 19 -1.227 4.590 3.541 154 HB3 GLN 19 1HB GLN 19 -1.005 5.793 2.307 155 HG2 GLN 19 2HG GLN 19 -1.379 4.089 0.597 156 HG3 GLN 19 1HG GLN 19 -1.440 2.835 1.836 157 HE21 GLN 19 1HE2 GLN 19 -3.354 3.452 -0.174 158 HE22 GLN 19 2HE2 GLN 19 -4.833 3.856 0.611 159 H ILE 20 H ILE 20 0.564 5.457 4.812 160 HA ILE 20 HA ILE 20 1.904 7.881 4.367 161 HB ILE 20 HB ILE 20 1.581 6.345 6.967 162 HG12 ILE 20 2HG1 ILE 20 -0.557 6.937 5.954 163 HG13 ILE 20 1HG1 ILE 20 -0.291 7.886 7.407 164 HG21 ILE 20 1HG2 ILE 20 2.369 9.234 6.607 165 HG22 ILE 20 2HG2 ILE 20 3.395 7.940 7.223 166 HG23 ILE 20 3HG2 ILE 20 1.986 8.461 8.145 167 HD11 ILE 20 3HD1 ILE 20 0.032 8.841 4.563 168 HD12 ILE 20 1HD1 ILE 20 0.358 9.802 6.008 169 HD13 ILE 20 2HD1 ILE 20 -1.278 9.242 5.671 170 H ALA 21 H ALA 21 3.184 4.720 5.255 171 HA ALA 21 HA ALA 21 5.823 5.510 5.844 172 HB1 ALA 21 1HB ALA 21 6.428 3.167 5.386 173 HB2 ALA 21 2HB ALA 21 4.831 2.909 4.677 174 HB3 ALA 21 3HB ALA 21 4.983 3.282 6.392 175 H ILE 22 H ILE 22 4.204 4.729 2.846 176 HA ILE 22 HA ILE 22 6.520 4.817 1.192 177 HB ILE 22 HB ILE 22 3.628 5.263 0.380 178 HG12 ILE 22 2HG1 ILE 22 5.238 2.723 0.279 179 HG13 ILE 22 1HG1 ILE 22 4.097 3.095 1.570 180 HG21 ILE 22 1HG2 ILE 22 6.054 4.425 -1.218 181 HG22 ILE 22 2HG2 ILE 22 5.272 6.003 -1.281 182 HG23 ILE 22 3HG2 ILE 22 4.409 4.569 -1.839 183 HD11 ILE 22 3HD1 ILE 22 2.308 3.183 -0.099 184 HD12 ILE 22 1HD1 ILE 22 3.108 1.611 -0.049 185 HD13 ILE 22 2HD1 ILE 22 3.475 2.746 -1.347 186 H CYS 23 H CYS 23 4.089 7.166 2.162 187 HA CYS 23 HA CYS 23 5.151 9.204 0.469 188 HB2 CYS 23 2HB CYS 23 3.143 9.137 2.638 189 HB3 CYS 23 1HB CYS 23 3.809 10.688 2.137 190 H GLY 24 H GLY 24 5.881 8.174 3.612 191 HA2 GLY 24 2HA GLY 24 7.548 10.455 4.214 192 HA3 GLY 24 1HA GLY 24 7.487 8.955 5.133 193 H MET 25 H MET 25 8.031 7.205 2.924 194 HA MET 25 HA MET 25 10.812 7.848 2.356 195 HB2 MET 25 2HB MET 25 9.707 5.174 3.268 196 HB3 MET 25 1HB MET 25 11.345 5.448 2.702 197 HG2 MET 25 2HG MET 25 11.792 6.885 4.594 198 HG3 MET 25 1HG MET 25 10.122 6.731 5.133 199 HE1 MET 25 3HE MET 25 13.176 3.267 5.141 200 HE2 MET 25 1HE MET 25 13.519 4.882 4.533 201 HE3 MET 25 2HE MET 25 12.406 3.827 3.658 202 H SER 26 H SER 26 9.645 8.564 0.471 203 HA SER 26 HA SER 26 8.567 6.621 -1.357 204 HB2 SER 26 2HB SER 26 9.421 9.455 -1.944 205 HB3 SER 26 1HB SER 26 8.262 8.480 -2.848 206 HG SER 26 HG SER 26 7.237 8.397 -0.585 207 H THR 27 H THR 27 11.519 6.775 -0.407 208 HA THR 27 HA THR 27 12.697 6.223 -2.950 209 HB THR 27 HB THR 27 14.747 7.492 -2.150 210 HG1 THR 27 1HG THR 27 14.380 8.032 -0.108 211 HG21 THR 27 3HG2 THR 27 13.948 9.667 -3.005 212 HG22 THR 27 1HG2 THR 27 12.283 9.111 -2.834 213 HG23 THR 27 2HG2 THR 27 13.358 8.329 -3.992 214 H TRP 28 H TRP 28 14.173 4.727 -2.783 215 HA TRP 28 HA TRP 28 14.053 2.933 -0.597 216 HB2 TRP 28 2HB TRP 28 14.484 2.309 -3.023 217 HB3 TRP 28 1HB TRP 28 16.130 2.878 -2.784 218 HD1 TRP 28 HD TRP 28 13.748 0.121 -1.662 219 HE1 TRP 28 1HE TRP 28 15.136 -1.835 -0.705 220 HE3 TRP 28 3HE TRP 28 18.358 2.282 -1.767 221 HZ2 TRP 28 2HZ TRP 28 17.827 -2.377 -0.094 222 HZ3 TRP 28 3HZ TRP 28 20.282 0.993 -0.985 223 HH2 TRP 28 HH TRP 28 20.028 -1.295 -0.162 224 H SER 29 H SER 29 15.099 2.976 1.227 225 HA SER 29 HA SER 29 17.495 4.618 1.450 226 HB2 SER 29 2HB SER 29 15.687 3.523 3.614 227 HB3 SER 29 1HB SER 29 17.016 4.665 3.838 228 HG SER 29 HG SER 29 15.305 5.495 1.917 229 HN1 NH2 30 HT1 SER 29 16.413 1.757 3.270 230 HN2 NH2 30 HT2 SER 29 17.876 0.869 3.071 231 HA PCA 1 HA PCA 1 -14.042 3.959 -6.648 232 HB2 PCA 1 2HB PCA 1 -12.616 4.842 -4.314 233 HB3 PCA 1 1HB PCA 1 -13.798 5.769 -5.280 234 HG2 PCA 1 2HG PCA 1 -14.131 4.575 -2.654 235 HG3 PCA 1 1HG PCA 1 -15.318 5.549 -3.587 236 H LEU 2 H LEU 2 -11.612 4.222 -6.773 237 HA LEU 2 HA LEU 2 -10.419 1.673 -6.808 238 HB2 LEU 2 2HB LEU 2 -9.157 4.391 -7.152 239 HB3 LEU 2 1HB LEU 2 -8.329 2.873 -7.420 240 HG LEU 2 HG LEU 2 -10.709 3.863 -8.997 241 HD11 LEU 2 1HD1 LEU 2 -9.112 4.129 -10.817 242 HD12 LEU 2 2HD1 LEU 2 -7.799 3.659 -9.738 243 HD13 LEU 2 3HD1 LEU 2 -8.693 5.150 -9.440 244 HD21 LEU 2 3HD2 LEU 2 -8.973 1.415 -9.359 245 HD22 LEU 2 1HD2 LEU 2 -10.212 1.971 -10.486 246 HD23 LEU 2 2HD2 LEU 2 -10.671 1.428 -8.877 247 H TYR 3 H TYR 3 -10.231 4.303 -4.544 248 HA TYR 3 HA TYR 3 -8.176 3.346 -2.903 249 HB2 TYR 3 2HB TYR 3 -10.600 4.988 -2.339 250 HB3 TYR 3 1HB TYR 3 -9.660 4.381 -0.989 251 HD1 TYR 3 1HD TYR 3 -7.223 5.033 -0.845 252 HD2 TYR 3 2HD TYR 3 -9.912 6.879 -3.563 253 HE1 TYR 3 1HE TYR 3 -5.677 6.926 -1.071 254 HE2 TYR 3 2HE TYR 3 -8.368 8.775 -3.808 255 HH TYR 3 HH TYR 3 -6.576 9.834 -2.461 256 H SER 4 H SER 4 -11.610 2.614 -2.776 257 HA SER 4 HA SER 4 -11.369 0.767 -0.644 258 HB2 SER 4 2HB SER 4 -13.495 1.978 -1.250 259 HB3 SER 4 1HB SER 4 -13.614 0.941 -2.666 260 HG SER 4 HG SER 4 -14.689 -0.283 -1.302 261 H ALA 5 H ALA 5 -11.276 0.510 -4.145 262 HA ALA 5 HA ALA 5 -11.398 -2.276 -4.371 263 HB1 ALA 5 1HB ALA 5 -10.292 -1.968 -6.547 264 HB2 ALA 5 2HB ALA 5 -9.863 -0.321 -6.094 265 HB3 ALA 5 3HB ALA 5 -11.559 -0.760 -6.309 266 H LEU 6 H LEU 6 -8.621 -0.095 -4.112 267 HA LEU 6 HA LEU 6 -6.560 -1.974 -3.944 268 HB2 LEU 6 2HB LEU 6 -6.156 0.412 -4.227 269 HB3 LEU 6 1HB LEU 6 -6.858 0.747 -2.661 270 HG LEU 6 HG LEU 6 -4.971 -0.501 -1.609 271 HD11 LEU 6 1HD1 LEU 6 -2.972 -0.935 -2.932 272 HD12 LEU 6 2HD1 LEU 6 -3.851 -0.497 -4.397 273 HD13 LEU 6 3HD1 LEU 6 -4.341 -1.910 -3.460 274 HD21 LEU 6 3HD2 LEU 6 -3.317 1.274 -1.936 275 HD22 LEU 6 1HD2 LEU 6 -4.942 1.931 -1.751 276 HD23 LEU 6 2HD2 LEU 6 -4.204 1.839 -3.350 277 H ALA 7 H ALA 7 -8.507 -0.492 -1.395 278 HA ALA 7 HA ALA 7 -7.282 -1.676 0.799 279 HB1 ALA 7 1HB ALA 7 -9.283 -1.111 2.035 280 HB2 ALA 7 2HB ALA 7 -10.181 -0.897 0.532 281 HB3 ALA 7 3HB ALA 7 -8.863 0.205 0.936 282 H ASN 8 H ASN 8 -10.185 -2.741 -0.936 283 HA ASN 8 HA ASN 8 -10.490 -5.092 0.594 284 HB2 ASN 8 2HB ASN 8 -11.635 -4.318 -2.084 285 HB3 ASN 8 1HB ASN 8 -11.930 -5.901 -1.377 286 HD21 ASN 8 1HD2 ASN 8 -12.590 -2.505 -1.154 287 HD22 ASN 8 2HD2 ASN 8 -13.902 -2.612 -0.046 288 H LYS 9 H LYS 9 -8.922 -4.534 -2.526 289 HA LYS 9 HA LYS 9 -8.200 -7.180 -3.099 290 HB2 LYS 9 2HB LYS 9 -6.875 -4.572 -3.725 291 HB3 LYS 9 1HB LYS 9 -6.139 -6.063 -4.233 292 HG2 LYS 9 2HG LYS 9 -8.174 -6.549 -5.539 293 HG3 LYS 9 1HG LYS 9 -8.814 -4.967 -5.061 294 HD2 LYS 9 2HD LYS 9 -6.882 -3.880 -6.082 295 HD3 LYS 9 1HD LYS 9 -6.228 -5.452 -6.536 296 HE2 LYS 9 2HE LYS 9 -8.821 -4.259 -7.502 297 HE3 LYS 9 1HE LYS 9 -7.299 -4.348 -8.396 298 HZ1 LYS 9 3HZ LYS 9 -8.871 -6.699 -7.465 299 HZ2 LYS 9 1HZ LYS 9 -7.436 -6.757 -8.334 300 HZ3 LYS 9 2HZ LYS 9 -8.823 -6.126 -9.046 301 H CYS 10 H CYS 10 -6.440 -4.763 -1.285 302 HA CYS 10 HA CYS 10 -4.194 -6.447 -0.852 303 HB2 CYS 10 2HB CYS 10 -4.507 -3.837 -0.681 304 HB3 CYS 10 1HB CYS 10 -4.959 -4.220 0.968 305 H CYS 11 H CYS 11 -7.192 -5.904 0.813 306 HA CYS 11 HA CYS 11 -6.317 -7.160 3.201 307 HB2 CYS 11 2HB CYS 11 -8.164 -5.402 2.941 308 HB3 CYS 11 1HB CYS 11 -9.177 -6.719 2.373 309 H HIS 12 H HIS 12 -7.927 -8.183 0.240 310 HA HIS 12 HA HIS 12 -8.488 -10.783 1.405 311 HB2 HIS 12 2HB HIS 12 -9.215 -9.497 -1.178 312 HB3 HIS 12 1HB HIS 12 -9.391 -11.232 -0.966 313 HD1 HIS 12 1HD HIS 12 -11.551 -11.968 0.149 314 HD2 HIS 12 2HD HIS 12 -10.739 -7.943 0.689 315 HE1 HIS 12 1HE HIS 12 -13.583 -11.007 1.308 316 H VAL 13 H VAL 13 -6.663 -9.573 -1.354 317 HA VAL 13 HA VAL 13 -5.270 -12.156 -1.348 318 HB VAL 13 HB VAL 13 -4.672 -11.681 -3.728 319 HG11 VAL 13 1HG1 VAL 13 -7.614 -11.928 -3.039 320 HG12 VAL 13 2HG1 VAL 13 -6.467 -13.265 -3.145 321 HG13 VAL 13 3HG1 VAL 13 -6.930 -12.376 -4.600 322 HG21 VAL 13 3HG2 VAL 13 -6.125 -10.139 -5.023 323 HG22 VAL 13 1HG2 VAL 13 -5.115 -9.295 -3.848 324 HG23 VAL 13 2HG2 VAL 13 -6.823 -9.568 -3.507 325 H GLY 14 H GLY 14 -4.810 -8.787 -1.932 326 HA2 GLY 14 2HA GLY 14 -2.910 -7.998 -0.384 327 HA3 GLY 14 1HA GLY 14 -1.937 -9.023 -1.410 328 H CYS 15 H CYS 15 -1.382 -6.389 -1.259 329 HA CYS 15 HA CYS 15 -2.154 -5.487 -3.935 330 HB2 CYS 15 2HB CYS 15 -2.268 -3.202 -3.134 331 HB3 CYS 15 1HB CYS 15 -3.471 -4.207 -2.352 332 H THR 16 H THR 16 -0.592 -3.847 -4.709 333 HA THR 16 HA THR 16 2.015 -4.611 -3.767 334 HB THR 16 HB THR 16 2.769 -3.505 -5.946 335 HG1 THR 16 1HG THR 16 0.165 -4.085 -6.842 336 HG21 THR 16 3HG2 THR 16 1.121 -6.025 -5.931 337 HG22 THR 16 1HG2 THR 16 2.846 -5.892 -5.622 338 HG23 THR 16 2HG2 THR 16 2.212 -5.563 -7.239 339 H LYS 17 H LYS 17 3.533 -3.185 -3.363 340 HA LYS 17 HA LYS 17 2.705 -0.959 -1.811 341 HB2 LYS 17 2HB LYS 17 4.919 -2.469 -2.083 342 HB3 LYS 17 1HB LYS 17 5.601 -0.949 -2.569 343 HG2 LYS 17 2HG LYS 17 5.927 -1.198 -0.224 344 HG3 LYS 17 1HG LYS 17 4.598 -0.033 -0.374 345 HD2 LYS 17 2HD LYS 17 2.992 -1.892 -0.081 346 HD3 LYS 17 1HD LYS 17 4.343 -3.001 0.117 347 HE2 LYS 17 2HE LYS 17 3.631 -0.696 1.921 348 HE3 LYS 17 1HE LYS 17 3.337 -2.397 2.252 349 HZ1 LYS 17 3HZ LYS 17 5.899 -2.596 1.968 350 HZ2 LYS 17 1HZ LYS 17 5.270 -1.927 3.405 351 HZ3 LYS 17 2HZ LYS 17 5.858 -0.915 2.240 352 H ARG 18 H ARG 18 3.900 -1.033 -5.112 353 HA ARG 18 HA ARG 18 4.034 1.791 -5.389 354 HB2 ARG 18 2HB ARG 18 3.441 -0.277 -7.489 355 HB3 ARG 18 1HB ARG 18 3.838 1.396 -7.814 356 HG2 ARG 18 2HG ARG 18 6.060 0.966 -6.767 357 HG3 ARG 18 1HG ARG 18 5.615 -0.745 -6.693 358 HD2 ARG 18 2HD ARG 18 6.883 -0.337 -8.712 359 HD3 ARG 18 1HD ARG 18 5.210 -0.718 -9.126 360 HE ARG 18 HE ARG 18 6.317 1.997 -9.041 361 HH11 ARG 18 1HH1 ARG 18 4.158 -0.381 -10.607 362 HH12 ARG 18 2HH1 ARG 18 3.629 0.700 -11.793 363 HH21 ARG 18 1HH2 ARG 18 5.573 3.444 -10.735 364 HH22 ARG 18 2HH2 ARG 18 4.453 2.898 -11.886 365 H SER 19 H SER 19 1.450 -0.478 -5.371 366 HA SER 19 HA SER 19 -0.415 1.129 -6.769 367 HB2 SER 19 2HB SER 19 -0.485 -1.328 -6.703 368 HB3 SER 19 1HB SER 19 -0.864 -1.302 -5.003 369 HG SER 19 HG SER 19 -2.743 -1.491 -6.083 370 H LEU 20 H LEU 20 0.452 0.584 -3.406 371 HA LEU 20 HA LEU 20 -1.617 2.467 -2.575 372 HB2 LEU 20 2HB LEU 20 0.692 1.936 -0.657 373 HB3 LEU 20 1HB LEU 20 -0.924 2.398 -0.372 374 HG LEU 20 HG LEU 20 -1.664 0.076 -1.096 375 HD11 LEU 20 1HD1 LEU 20 -0.049 -1.674 -0.764 376 HD12 LEU 20 2HD1 LEU 20 1.212 -0.472 -0.497 377 HD13 LEU 20 3HD1 LEU 20 0.449 -0.616 -2.086 378 HD21 LEU 20 3HD2 LEU 20 -1.772 0.863 1.197 379 HD22 LEU 20 1HD2 LEU 20 -0.056 0.479 1.397 380 HD23 LEU 20 2HD2 LEU 20 -1.218 -0.816 1.130 381 H ALA 21 H ALA 21 1.622 2.541 -3.454 382 HA ALA 21 HA ALA 21 2.409 5.082 -2.557 383 HB1 ALA 21 1HB ALA 21 3.956 3.399 -3.514 384 HB2 ALA 21 2HB ALA 21 4.165 5.011 -4.198 385 HB3 ALA 21 3HB ALA 21 3.307 3.774 -5.112 386 H ARG 22 H ARG 22 0.678 4.182 -5.456 387 HA ARG 22 HA ARG 22 0.792 6.799 -6.587 388 HB2 ARG 22 2HB ARG 22 -0.938 5.988 -8.185 389 HB3 ARG 22 1HB ARG 22 0.503 4.987 -8.103 390 HG2 ARG 22 2HG ARG 22 -0.677 3.407 -6.684 391 HG3 ARG 22 1HG ARG 22 -2.116 4.417 -6.758 392 HD2 ARG 22 2HD ARG 22 -2.332 4.043 -9.105 393 HD3 ARG 22 1HD ARG 22 -0.775 3.212 -9.165 394 HE ARG 22 HE ARG 22 -2.252 1.850 -7.329 395 HH11 ARG 22 1HH1 ARG 22 -2.814 2.674 -10.733 396 HH12 ARG 22 2HH1 ARG 22 -3.508 1.162 -11.110 397 HH21 ARG 22 1HH2 ARG 22 -3.194 -0.195 -7.857 398 HH22 ARG 22 2HH2 ARG 22 -3.744 -0.488 -9.450 399 H PHE 23 H PHE 23 -1.166 5.456 -4.179 400 HA PHE 23 HA PHE 23 -3.108 7.637 -4.503 401 HB2 PHE 23 2HB PHE 23 -3.330 5.075 -2.917 402 HB3 PHE 23 1HB PHE 23 -4.504 6.378 -2.839 403 HD1 PHE 23 1HD PHE 23 -5.777 6.982 -4.920 404 HD2 PHE 23 2HD PHE 23 -3.404 3.472 -4.620 405 HE1 PHE 23 1HE PHE 23 -6.987 6.007 -6.823 406 HE2 PHE 23 2HE PHE 23 -4.605 2.490 -6.524 407 HZ PHE 23 HZ PHE 23 -6.397 3.757 -7.629 408 H CYS 24 H CYS 24 -1.634 5.887 -1.922 409 HA CYS 24 HA CYS 24 -0.967 6.376 0.152 410 HB2 CYS 24 2HB CYS 24 0.820 7.526 -1.073 411 HB3 CYS 24 1HB CYS 24 -0.137 8.998 -1.105 412 HN1 NH2 25 HT1 CYS 24 -1.751 9.765 -0.331 413 HN2 NH2 25 HT2 CYS 24 -3.085 9.787 0.759 Start of MODEL 17 1 H1 ASP 1 1HT ASP 1 12.176 -2.183 3.628 2 H2 ASP 1 2HT ASP 1 13.439 -1.835 2.555 3 H3 ASP 1 3HT ASP 1 12.750 -3.356 2.560 4 HA ASP 1 HA ASP 1 10.668 -2.448 1.786 5 HB2 ASP 1 2HB ASP 1 10.593 -0.115 1.027 6 HB3 ASP 1 1HB ASP 1 10.882 -0.201 2.759 7 H SER 2 H SER 2 10.305 -2.543 -0.360 8 HA SER 2 HA SER 2 12.490 -2.033 -2.224 9 HB2 SER 2 2HB SER 2 10.484 -4.247 -2.545 10 HB3 SER 2 1HB SER 2 11.917 -3.963 -3.499 11 HG SER 2 HG SER 2 11.890 -4.769 -0.782 12 H TRP 3 H TRP 3 11.667 -0.949 -3.973 13 HA TRP 3 HA TRP 3 8.926 -0.095 -3.550 14 HB2 TRP 3 2HB TRP 3 11.015 1.247 -5.265 15 HB3 TRP 3 1HB TRP 3 9.366 1.819 -5.052 16 HD1 TRP 3 HD TRP 3 12.428 3.004 -4.039 17 HE1 TRP 3 1HE TRP 3 12.499 3.954 -1.646 18 HE3 TRP 3 3HE TRP 3 8.137 0.892 -2.122 19 HZ2 TRP 3 2HZ TRP 3 10.977 3.834 0.709 20 HZ3 TRP 3 3HZ TRP 3 7.548 1.339 0.159 21 HH2 TRP 3 HH TRP 3 8.930 2.796 1.582 22 H MET 4 H MET 4 10.913 -1.367 -6.122 23 HA MET 4 HA MET 4 8.861 -1.120 -8.041 24 HB2 MET 4 2HB MET 4 11.348 -2.815 -8.085 25 HB3 MET 4 1HB MET 4 10.246 -2.645 -9.441 26 HG2 MET 4 2HG MET 4 11.781 -0.415 -8.129 27 HG3 MET 4 1HG MET 4 12.175 -1.177 -9.670 28 HE1 MET 4 3HE MET 4 9.262 -1.560 -10.999 29 HE2 MET 4 1HE MET 4 10.696 -0.975 -11.848 30 HE3 MET 4 2HE MET 4 9.189 -0.069 -11.937 31 H GLU 5 H GLU 5 9.915 -3.960 -6.166 32 HA GLU 5 HA GLU 5 7.216 -4.891 -6.623 33 HB2 GLU 5 2HB GLU 5 8.682 -6.106 -8.230 34 HB3 GLU 5 1HB GLU 5 9.563 -6.768 -6.859 35 HG2 GLU 5 2HG GLU 5 7.423 -7.751 -6.037 36 HG3 GLU 5 1HG GLU 5 6.667 -7.218 -7.532 37 H GLU 6 H GLU 6 6.785 -4.188 -4.555 38 HA GLU 6 HA GLU 6 7.523 -6.214 -2.595 39 HB2 GLU 6 2HB GLU 6 8.423 -3.721 -2.122 40 HB3 GLU 6 1HB GLU 6 6.701 -3.480 -1.820 41 HG2 GLU 6 2HG GLU 6 6.632 -4.961 -0.026 42 HG3 GLU 6 1HG GLU 6 8.259 -5.549 -0.358 43 H VAL 7 H VAL 7 5.799 -6.688 -1.338 44 HA VAL 7 HA VAL 7 3.175 -5.768 -2.164 45 HB VAL 7 HB VAL 7 3.621 -7.489 -3.832 46 HG11 VAL 7 1HG1 VAL 7 4.044 -9.829 -3.238 47 HG12 VAL 7 2HG1 VAL 7 4.173 -9.349 -1.544 48 HG13 VAL 7 3HG1 VAL 7 5.335 -8.744 -2.722 49 HG21 VAL 7 3HG2 VAL 7 1.748 -9.057 -3.426 50 HG22 VAL 7 1HG2 VAL 7 1.312 -7.391 -3.043 51 HG23 VAL 7 2HG2 VAL 7 1.683 -8.518 -1.747 52 H ILE 8 H ILE 8 1.637 -6.024 -0.635 53 HA ILE 8 HA ILE 8 2.381 -7.475 1.798 54 HB ILE 8 HB ILE 8 1.509 -5.685 3.205 55 HG12 ILE 8 2HG1 ILE 8 1.205 -4.143 0.632 56 HG13 ILE 8 1HG1 ILE 8 -0.097 -4.738 1.632 57 HG21 ILE 8 1HG2 ILE 8 3.896 -5.668 2.799 58 HG22 ILE 8 2HG2 ILE 8 3.297 -4.014 2.927 59 HG23 ILE 8 3HG2 ILE 8 3.665 -4.697 1.345 60 HD11 ILE 8 3HD1 ILE 8 0.565 -3.237 3.440 61 HD12 ILE 8 1HD1 ILE 8 0.208 -2.349 1.959 62 HD13 ILE 8 2HD1 ILE 8 1.882 -2.620 2.445 63 H LYS 9 H LYS 9 0.445 -7.629 3.207 64 HA LYS 9 HA LYS 9 -2.112 -7.489 1.839 65 HB2 LYS 9 2HB LYS 9 -1.259 -9.844 1.563 66 HB3 LYS 9 1HB LYS 9 -1.208 -9.985 3.312 67 HG2 LYS 9 2HG LYS 9 -3.652 -9.655 3.392 68 HG3 LYS 9 1HG LYS 9 -3.683 -9.577 1.630 69 HD2 LYS 9 2HD LYS 9 -2.715 -11.848 1.549 70 HD3 LYS 9 1HD LYS 9 -2.790 -11.921 3.308 71 HE2 LYS 9 2HE LYS 9 -5.139 -11.619 1.433 72 HE3 LYS 9 1HE LYS 9 -4.664 -13.097 2.257 73 HZ1 LYS 9 3HZ LYS 9 -5.111 -11.961 4.382 74 HZ2 LYS 9 1HZ LYS 9 -6.474 -12.033 3.402 75 HZ3 LYS 9 2HZ LYS 9 -5.628 -10.598 3.558 76 H LEU 10 H LEU 10 -1.985 -5.668 3.245 77 HA LEU 10 HA LEU 10 -2.629 -6.255 6.058 78 HB2 LEU 10 2HB LEU 10 -1.313 -3.899 4.759 79 HB3 LEU 10 1HB LEU 10 -2.253 -3.670 6.197 80 HG LEU 10 HG LEU 10 -0.838 -5.069 7.499 81 HD11 LEU 10 1HD1 LEU 10 -0.191 -6.741 5.807 82 HD12 LEU 10 2HD1 LEU 10 1.225 -6.082 6.631 83 HD13 LEU 10 3HD1 LEU 10 0.811 -5.525 5.010 84 HD21 LEU 10 3HD2 LEU 10 1.239 -3.795 7.456 85 HD22 LEU 10 1HD2 LEU 10 -0.164 -2.749 7.251 86 HD23 LEU 10 2HD2 LEU 10 0.826 -3.177 5.858 87 H CYS 11 H CYS 11 -3.988 -4.383 6.918 88 HA CYS 11 HA CYS 11 -6.168 -3.746 5.082 89 HB2 CYS 11 2HB CYS 11 -6.314 -5.437 7.434 90 HB3 CYS 11 1HB CYS 11 -7.802 -4.854 6.657 91 H GLY 12 H GLY 12 -7.749 -2.447 6.240 92 HA2 GLY 12 2HA GLY 12 -8.443 -0.745 7.617 93 HA3 GLY 12 1HA GLY 12 -7.764 -1.725 8.894 94 H ARG 13 H ARG 13 -6.663 -0.550 10.106 95 HA ARG 13 HA ARG 13 -5.505 1.931 9.308 96 HB2 ARG 13 2HB ARG 13 -5.297 0.412 11.904 97 HB3 ARG 13 1HB ARG 13 -4.641 2.017 11.635 98 HG2 ARG 13 2HG ARG 13 -7.553 1.280 11.428 99 HG3 ARG 13 1HG ARG 13 -6.794 2.066 12.814 100 HD2 ARG 13 2HD ARG 13 -6.165 3.949 11.408 101 HD3 ARG 13 1HD ARG 13 -6.905 3.175 10.007 102 HE ARG 13 HE ARG 13 -8.745 3.435 12.128 103 HH11 ARG 13 1HH1 ARG 13 -7.125 5.355 9.654 104 HH12 ARG 13 2HH1 ARG 13 -8.401 6.488 9.510 105 HH21 ARG 13 1HH2 ARG 13 -10.465 5.002 11.952 106 HH22 ARG 13 2HH2 ARG 13 -10.314 6.287 10.842 107 H GLU 14 H GLU 14 -4.279 -1.362 9.537 108 HA GLU 14 HA GLU 14 -1.553 -0.458 9.725 109 HB2 GLU 14 2HB GLU 14 -2.895 -3.116 9.350 110 HB3 GLU 14 1HB GLU 14 -1.177 -2.954 9.039 111 HG2 GLU 14 2HG GLU 14 -1.607 -3.820 11.272 112 HG3 GLU 14 1HG GLU 14 -0.810 -2.258 11.344 113 H LEU 15 H LEU 15 -3.866 -1.197 7.351 114 HA LEU 15 HA LEU 15 -2.144 -1.406 5.121 115 HB2 LEU 15 2HB LEU 15 -4.640 -1.938 5.309 116 HB3 LEU 15 1HB LEU 15 -4.900 -0.219 5.101 117 HG LEU 15 HG LEU 15 -3.702 -0.365 2.924 118 HD11 LEU 15 1HD1 LEU 15 -3.467 -2.653 1.998 119 HD12 LEU 15 2HD1 LEU 15 -3.868 -3.260 3.626 120 HD13 LEU 15 3HD1 LEU 15 -2.394 -2.335 3.370 121 HD21 LEU 15 3HD2 LEU 15 -6.094 -2.167 3.246 122 HD22 LEU 15 1HD2 LEU 15 -5.528 -1.434 1.746 123 HD23 LEU 15 2HD2 LEU 15 -6.147 -0.411 3.047 124 H VAL 16 H VAL 16 -3.845 1.215 6.713 125 HA VAL 16 HA VAL 16 -2.966 3.250 4.964 126 HB VAL 16 HB VAL 16 -3.914 3.551 7.836 127 HG11 VAL 16 1HG1 VAL 16 -2.813 5.549 7.030 128 HG12 VAL 16 2HG1 VAL 16 -4.555 5.826 7.130 129 HG13 VAL 16 3HG1 VAL 16 -3.796 5.534 5.566 130 HG21 VAL 16 3HG2 VAL 16 -6.127 4.006 6.878 131 HG22 VAL 16 1HG2 VAL 16 -5.576 2.375 6.495 132 HG23 VAL 16 2HG2 VAL 16 -5.501 3.643 5.271 133 H ARG 17 H ARG 17 -1.710 1.923 7.985 134 HA ARG 17 HA ARG 17 0.379 3.701 8.479 135 HB2 ARG 17 2HB ARG 17 0.339 0.709 8.888 136 HB3 ARG 17 1HB ARG 17 1.568 1.742 9.571 137 HG2 ARG 17 2HG ARG 17 -0.190 2.915 10.847 138 HG3 ARG 17 1HG ARG 17 -1.373 1.786 10.193 139 HD2 ARG 17 2HD ARG 17 -0.020 -0.074 11.179 140 HD3 ARG 17 1HD ARG 17 0.980 1.139 11.972 141 HE ARG 17 HE ARG 17 -1.798 0.478 12.509 142 HH11 ARG 17 1HH1 ARG 17 1.115 2.284 13.448 143 HH12 ARG 17 2HH1 ARG 17 0.482 2.818 14.932 144 HH21 ARG 17 1HH2 ARG 17 -2.692 1.317 14.558 145 HH22 ARG 17 2HH2 ARG 17 -1.719 2.290 15.547 146 H ALA 18 H ALA 18 0.360 0.889 6.433 147 HA ALA 18 HA ALA 18 3.041 1.169 5.515 148 HB1 ALA 18 1HB ALA 18 0.741 -0.278 4.199 149 HB2 ALA 18 2HB ALA 18 1.838 -0.966 5.398 150 HB3 ALA 18 3HB ALA 18 2.451 -0.483 3.816 151 H GLN 19 H GLN 19 -0.070 2.202 4.265 152 HA GLN 19 HA GLN 19 0.718 3.314 1.817 153 HB2 GLN 19 2HB GLN 19 -1.448 3.976 3.748 154 HB3 GLN 19 1HB GLN 19 -1.273 4.902 2.288 155 HG2 GLN 19 2HG GLN 19 -1.473 2.630 1.084 156 HG3 GLN 19 1HG GLN 19 -1.974 1.999 2.649 157 HE21 GLN 19 1HE2 GLN 19 -2.743 4.158 0.082 158 HE22 GLN 19 2HE2 GLN 19 -4.431 4.326 0.441 159 H ILE 20 H ILE 20 0.209 4.938 4.904 160 HA ILE 20 HA ILE 20 1.027 7.510 4.275 161 HB ILE 20 HB ILE 20 1.467 6.079 6.924 162 HG12 ILE 20 2HG1 ILE 20 -0.725 7.965 6.047 163 HG13 ILE 20 1HG1 ILE 20 -0.892 6.218 6.186 164 HG21 ILE 20 1HG2 ILE 20 1.611 8.317 7.929 165 HG22 ILE 20 2HG2 ILE 20 1.528 9.035 6.320 166 HG23 ILE 20 3HG2 ILE 20 2.913 8.040 6.768 167 HD11 ILE 20 3HD1 ILE 20 -1.872 7.365 8.100 168 HD12 ILE 20 1HD1 ILE 20 -0.322 8.129 8.449 169 HD13 ILE 20 2HD1 ILE 20 -0.495 6.379 8.598 170 H ALA 21 H ALA 21 3.009 4.822 5.326 171 HA ALA 21 HA ALA 21 5.473 6.152 5.456 172 HB1 ALA 21 1HB ALA 21 6.493 3.935 5.283 173 HB2 ALA 21 2HB ALA 21 4.941 3.269 4.767 174 HB3 ALA 21 3HB ALA 21 5.121 3.925 6.391 175 H ILE 22 H ILE 22 3.897 4.481 2.780 176 HA ILE 22 HA ILE 22 6.090 4.970 0.991 177 HB ILE 22 HB ILE 22 4.124 3.068 1.019 178 HG12 ILE 22 2HG1 ILE 22 6.180 2.880 -0.177 179 HG13 ILE 22 1HG1 ILE 22 4.813 2.440 -1.210 180 HG21 ILE 22 1HG2 ILE 22 3.208 4.967 -1.070 181 HG22 ILE 22 2HG2 ILE 22 2.334 4.501 0.394 182 HG23 ILE 22 3HG2 ILE 22 2.661 3.305 -0.867 183 HD11 ILE 22 3HD1 ILE 22 6.414 4.994 -1.314 184 HD12 ILE 22 1HD1 ILE 22 5.026 4.620 -2.334 185 HD13 ILE 22 2HD1 ILE 22 6.498 3.658 -2.462 186 H CYS 23 H CYS 23 3.210 6.509 1.874 187 HA CYS 23 HA CYS 23 2.969 8.277 -0.373 188 HB2 CYS 23 2HB CYS 23 1.196 7.569 1.481 189 HB3 CYS 23 1HB CYS 23 1.834 8.968 2.329 190 H GLY 24 H GLY 24 4.753 8.216 2.574 191 HA2 GLY 24 2HA GLY 24 5.738 10.928 2.168 192 HA3 GLY 24 1HA GLY 24 6.057 9.898 3.565 193 H MET 25 H MET 25 6.323 8.178 0.708 194 HA MET 25 HA MET 25 9.162 8.689 0.471 195 HB2 MET 25 2HB MET 25 7.880 5.974 0.767 196 HB3 MET 25 1HB MET 25 9.452 6.189 0.018 197 HG2 MET 25 2HG MET 25 8.717 6.943 2.831 198 HG3 MET 25 1HG MET 25 9.656 5.531 2.340 199 HE1 MET 25 3HE MET 25 11.625 6.156 3.954 200 HE2 MET 25 1HE MET 25 10.682 7.538 4.513 201 HE3 MET 25 2HE MET 25 12.364 7.757 4.026 202 H SER 26 H SER 26 8.230 9.950 -1.129 203 HA SER 26 HA SER 26 7.419 8.529 -3.553 204 HB2 SER 26 2HB SER 26 7.584 11.501 -2.999 205 HB3 SER 26 1HB SER 26 6.839 10.727 -4.403 206 HG SER 26 HG SER 26 5.575 9.563 -2.746 207 H THR 27 H THR 27 10.153 8.712 -2.233 208 HA THR 27 HA THR 27 11.664 9.391 -4.575 209 HB THR 27 HB THR 27 13.487 9.882 -2.831 210 HG1 THR 27 1HG THR 27 12.906 10.181 -0.789 211 HG21 THR 27 3HG2 THR 27 12.408 11.678 -4.127 212 HG22 THR 27 1HG2 THR 27 12.737 12.203 -2.476 213 HG23 THR 27 2HG2 THR 27 11.101 11.745 -2.947 214 H TRP 28 H TRP 28 13.862 8.270 -3.968 215 HA TRP 28 HA TRP 28 13.161 5.467 -3.609 216 HB2 TRP 28 2HB TRP 28 14.415 6.178 -5.671 217 HB3 TRP 28 1HB TRP 28 15.778 6.600 -4.646 218 HD1 TRP 28 HD TRP 28 13.711 3.491 -5.650 219 HE1 TRP 28 1HE TRP 28 15.245 1.434 -5.550 220 HE3 TRP 28 3HE TRP 28 17.939 5.717 -3.822 221 HZ2 TRP 28 2HZ TRP 28 17.896 0.829 -4.797 222 HZ3 TRP 28 3HZ TRP 28 19.931 4.325 -3.449 223 HH2 TRP 28 HH TRP 28 19.908 1.937 -3.924 224 H SER 29 H SER 29 12.897 6.093 -1.296 225 HA SER 29 HA SER 29 15.440 5.584 0.083 226 HB2 SER 29 2HB SER 29 13.100 7.212 1.115 227 HB3 SER 29 1HB SER 29 14.618 6.920 1.965 228 HG SER 29 HG SER 29 14.697 8.901 0.998 229 HN1 NH2 30 HT1 SER 29 14.864 3.369 -0.235 230 HN2 NH2 30 HT2 SER 29 13.676 2.583 0.741 231 HA PCA 1 HA PCA 1 -14.109 4.363 -4.098 232 HB2 PCA 1 2HB PCA 1 -14.886 2.497 -6.093 233 HB3 PCA 1 1HB PCA 1 -15.978 3.392 -4.994 234 HG2 PCA 1 2HG PCA 1 -15.645 3.745 -7.829 235 HG3 PCA 1 1HG PCA 1 -16.673 4.719 -6.722 236 H LEU 2 H LEU 2 -11.953 5.156 -5.736 237 HA LEU 2 HA LEU 2 -10.620 2.765 -6.682 238 HB2 LEU 2 2HB LEU 2 -9.528 5.563 -6.416 239 HB3 LEU 2 1HB LEU 2 -8.733 4.222 -7.220 240 HG LEU 2 HG LEU 2 -11.347 5.454 -8.099 241 HD11 LEU 2 1HD1 LEU 2 -10.067 6.330 -9.985 242 HD12 LEU 2 2HD1 LEU 2 -8.582 5.715 -9.258 243 HD13 LEU 2 3HD1 LEU 2 -9.503 6.980 -8.446 244 HD21 LEU 2 3HD2 LEU 2 -11.222 3.102 -8.702 245 HD22 LEU 2 1HD2 LEU 2 -9.612 3.343 -9.387 246 HD23 LEU 2 2HD2 LEU 2 -11.013 4.108 -10.133 247 H TYR 3 H TYR 3 -10.330 4.877 -3.930 248 HA TYR 3 HA TYR 3 -8.085 3.524 -2.803 249 HB2 TYR 3 2HB TYR 3 -10.123 5.399 -1.689 250 HB3 TYR 3 1HB TYR 3 -8.988 4.592 -0.631 251 HD1 TYR 3 1HD TYR 3 -6.579 5.152 -0.805 252 HD2 TYR 3 2HD TYR 3 -9.476 7.122 -3.190 253 HE1 TYR 3 1HE TYR 3 -4.939 6.901 -1.341 254 HE2 TYR 3 2HE TYR 3 -7.860 8.869 -3.739 255 HH TYR 3 HH TYR 3 -5.800 9.808 -2.599 256 H SER 4 H SER 4 -11.503 3.381 -2.286 257 HA SER 4 HA SER 4 -11.637 1.311 -0.446 258 HB2 SER 4 2HB SER 4 -13.570 1.874 -2.701 259 HB3 SER 4 1HB SER 4 -13.935 1.037 -1.191 260 HG SER 4 HG SER 4 -14.534 3.253 -1.215 261 H ALA 5 H ALA 5 -11.295 1.179 -3.985 262 HA ALA 5 HA ALA 5 -11.524 -1.628 -4.244 263 HB1 ALA 5 1HB ALA 5 -11.720 -0.100 -6.173 264 HB2 ALA 5 2HB ALA 5 -10.487 -1.330 -6.444 265 HB3 ALA 5 3HB ALA 5 -10.013 0.311 -6.006 266 H LEU 6 H LEU 6 -8.772 0.541 -3.854 267 HA LEU 6 HA LEU 6 -6.685 -1.302 -3.908 268 HB2 LEU 6 2HB LEU 6 -6.400 1.173 -3.873 269 HB3 LEU 6 1HB LEU 6 -6.905 1.192 -2.197 270 HG LEU 6 HG LEU 6 -4.914 -0.214 -1.646 271 HD11 LEU 6 1HD1 LEU 6 -4.182 0.355 -4.501 272 HD12 LEU 6 2HD1 LEU 6 -4.534 -1.222 -3.793 273 HD13 LEU 6 3HD1 LEU 6 -3.100 -0.334 -3.297 274 HD21 LEU 6 3HD2 LEU 6 -4.296 2.447 -2.962 275 HD22 LEU 6 1HD2 LEU 6 -3.283 1.624 -1.775 276 HD23 LEU 6 2HD2 LEU 6 -4.864 2.226 -1.307 277 H ALA 7 H ALA 7 -8.544 -0.104 -1.144 278 HA ALA 7 HA ALA 7 -7.369 -1.588 0.905 279 HB1 ALA 7 1HB ALA 7 -9.466 -1.240 2.137 280 HB2 ALA 7 2HB ALA 7 -10.255 -0.734 0.643 281 HB3 ALA 7 3HB ALA 7 -8.946 0.233 1.320 282 H ASN 8 H ASN 8 -10.148 -2.340 -1.098 283 HA ASN 8 HA ASN 8 -10.767 -4.852 -0.079 284 HB2 ASN 8 2HB ASN 8 -12.334 -3.677 -1.468 285 HB3 ASN 8 1HB ASN 8 -11.200 -3.621 -2.805 286 HD21 ASN 8 1HD2 ASN 8 -11.115 -5.313 -4.195 287 HD22 ASN 8 2HD2 ASN 8 -12.162 -6.671 -4.100 288 H LYS 9 H LYS 9 -8.560 -3.955 -2.696 289 HA LYS 9 HA LYS 9 -7.886 -6.618 -3.368 290 HB2 LYS 9 2HB LYS 9 -6.866 -3.940 -4.077 291 HB3 LYS 9 1HB LYS 9 -5.726 -5.258 -4.257 292 HG2 LYS 9 2HG LYS 9 -8.474 -5.260 -5.482 293 HG3 LYS 9 1HG LYS 9 -7.030 -4.666 -6.313 294 HD2 LYS 9 2HD LYS 9 -5.970 -6.838 -6.095 295 HD3 LYS 9 1HD LYS 9 -7.339 -7.456 -5.182 296 HE2 LYS 9 2HE LYS 9 -7.442 -6.475 -8.027 297 HE3 LYS 9 1HE LYS 9 -7.340 -8.167 -7.541 298 HZ1 LYS 9 3HZ LYS 9 -9.568 -6.300 -6.931 299 HZ2 LYS 9 1HZ LYS 9 -9.458 -7.890 -6.382 300 HZ3 LYS 9 2HZ LYS 9 -9.594 -7.579 -8.020 301 H CYS 10 H CYS 10 -6.136 -4.296 -1.377 302 HA CYS 10 HA CYS 10 -3.975 -6.051 -0.827 303 HB2 CYS 10 2HB CYS 10 -5.014 -3.845 0.938 304 HB3 CYS 10 1HB CYS 10 -3.384 -4.501 0.888 305 H CYS 11 H CYS 11 -7.082 -5.557 0.754 306 HA CYS 11 HA CYS 11 -6.279 -7.113 3.005 307 HB2 CYS 11 2HB CYS 11 -8.028 -5.221 2.923 308 HB3 CYS 11 1HB CYS 11 -9.128 -6.450 2.317 309 H HIS 12 H HIS 12 -7.898 -7.731 -0.059 310 HA HIS 12 HA HIS 12 -8.761 -10.346 0.795 311 HB2 HIS 12 2HB HIS 12 -8.865 -8.916 -1.837 312 HB3 HIS 12 1HB HIS 12 -9.244 -10.627 -1.721 313 HD1 HIS 12 1HD HIS 12 -11.752 -10.193 -2.366 314 HD2 HIS 12 2HD HIS 12 -10.458 -8.225 1.046 315 HE1 HIS 12 1HE HIS 12 -13.822 -9.337 -1.253 316 H VAL 13 H VAL 13 -6.414 -9.165 -1.554 317 HA VAL 13 HA VAL 13 -5.160 -11.817 -1.375 318 HB VAL 13 HB VAL 13 -4.351 -11.421 -3.710 319 HG11 VAL 13 1HG1 VAL 13 -7.338 -11.654 -3.225 320 HG12 VAL 13 2HG1 VAL 13 -6.191 -12.996 -3.223 321 HG13 VAL 13 3HG1 VAL 13 -6.557 -12.143 -4.727 322 HG21 VAL 13 3HG2 VAL 13 -6.512 -9.310 -3.718 323 HG22 VAL 13 1HG2 VAL 13 -5.706 -9.925 -5.162 324 HG23 VAL 13 2HG2 VAL 13 -4.784 -9.048 -3.943 325 H GLY 14 H GLY 14 -4.628 -8.485 -1.983 326 HA2 GLY 14 2HA GLY 14 -2.807 -7.610 -0.429 327 HA3 GLY 14 1HA GLY 14 -1.796 -8.746 -1.269 328 H CYS 15 H CYS 15 -0.926 -6.361 -1.499 329 HA CYS 15 HA CYS 15 -1.419 -5.713 -4.268 330 HB2 CYS 15 2HB CYS 15 -1.736 -3.320 -3.748 331 HB3 CYS 15 1HB CYS 15 -3.074 -4.335 -3.227 332 H THR 16 H THR 16 0.169 -4.186 -5.043 333 HA THR 16 HA THR 16 2.655 -4.666 -3.771 334 HB THR 16 HB THR 16 3.596 -3.385 -5.697 335 HG1 THR 16 1HG THR 16 1.240 -3.529 -7.109 336 HG21 THR 16 3HG2 THR 16 3.393 -5.809 -5.829 337 HG22 THR 16 1HG2 THR 16 3.070 -5.081 -7.402 338 HG23 THR 16 2HG2 THR 16 1.733 -5.655 -6.402 339 H LYS 17 H LYS 17 4.037 -3.049 -3.297 340 HA LYS 17 HA LYS 17 2.958 -0.932 -1.671 341 HB2 LYS 17 2HB LYS 17 5.132 -2.249 -1.397 342 HB3 LYS 17 1HB LYS 17 5.807 -1.274 -2.663 343 HG2 LYS 17 2HG LYS 17 6.432 -0.635 -0.418 344 HG3 LYS 17 1HG LYS 17 5.754 0.687 -1.373 345 HD2 LYS 17 2HD LYS 17 4.874 0.812 0.880 346 HD3 LYS 17 1HD LYS 17 3.572 0.328 -0.186 347 HE2 LYS 17 2HE LYS 17 3.418 -0.993 1.804 348 HE3 LYS 17 1HE LYS 17 4.011 -2.053 0.531 349 HZ1 LYS 17 3HZ LYS 17 6.237 -1.869 1.423 350 HZ2 LYS 17 1HZ LYS 17 5.184 -2.301 2.651 351 HZ3 LYS 17 2HZ LYS 17 5.734 -0.728 2.561 352 H ARG 18 H ARG 18 4.211 -1.071 -4.876 353 HA ARG 18 HA ARG 18 3.962 1.728 -5.344 354 HB2 ARG 18 2HB ARG 18 4.146 -0.574 -7.256 355 HB3 ARG 18 1HB ARG 18 3.827 1.053 -7.828 356 HG2 ARG 18 2HG ARG 18 5.935 1.787 -6.747 357 HG3 ARG 18 1HG ARG 18 6.253 0.104 -6.326 358 HD2 ARG 18 2HD ARG 18 5.870 1.165 -9.124 359 HD3 ARG 18 1HD ARG 18 7.421 0.788 -8.382 360 HE ARG 18 HE ARG 18 6.712 -1.527 -8.279 361 HH11 ARG 18 1HH1 ARG 18 4.867 0.543 -10.530 362 HH12 ARG 18 2HH1 ARG 18 4.430 -0.766 -11.525 363 HH21 ARG 18 1HH2 ARG 18 6.121 -3.263 -9.705 364 HH22 ARG 18 2HH2 ARG 18 5.114 -2.944 -11.042 365 H SER 19 H SER 19 1.669 -0.756 -5.131 366 HA SER 19 HA SER 19 -0.332 0.421 -6.774 367 HB2 SER 19 2HB SER 19 -0.266 -2.023 -6.259 368 HB3 SER 19 1HB SER 19 -0.598 -1.666 -4.575 369 HG SER 19 HG SER 19 -2.508 -0.471 -5.904 370 H LEU 20 H LEU 20 0.500 0.391 -3.333 371 HA LEU 20 HA LEU 20 -1.598 2.332 -2.677 372 HB2 LEU 20 2HB LEU 20 0.940 2.161 -1.032 373 HB3 LEU 20 1HB LEU 20 -0.626 2.664 -0.601 374 HG LEU 20 HG LEU 20 -0.359 0.825 0.579 375 HD11 LEU 20 1HD1 LEU 20 -2.463 0.652 -0.280 376 HD12 LEU 20 2HD1 LEU 20 -1.752 -0.975 -0.253 377 HD13 LEU 20 3HD1 LEU 20 -1.847 -0.082 -1.769 378 HD21 LEU 20 3HD2 LEU 20 0.474 -1.362 -0.186 379 HD22 LEU 20 1HD2 LEU 20 1.651 -0.052 -0.260 380 HD23 LEU 20 2HD2 LEU 20 0.856 -0.612 -1.737 381 H ALA 21 H ALA 21 1.681 2.463 -3.442 382 HA ALA 21 HA ALA 21 2.191 5.183 -3.081 383 HB1 ALA 21 1HB ALA 21 3.889 3.475 -3.692 384 HB2 ALA 21 2HB ALA 21 4.049 5.020 -4.530 385 HB3 ALA 21 3HB ALA 21 3.349 3.636 -5.368 386 H ARG 22 H ARG 22 0.541 3.757 -5.828 387 HA ARG 22 HA ARG 22 0.646 6.218 -7.305 388 HB2 ARG 22 2HB ARG 22 -0.847 5.097 -8.966 389 HB3 ARG 22 1HB ARG 22 0.656 4.254 -8.654 390 HG2 ARG 22 2HG ARG 22 -0.628 2.742 -7.118 391 HG3 ARG 22 1HG ARG 22 -2.101 3.523 -7.703 392 HD2 ARG 22 2HD ARG 22 -1.607 2.857 -9.969 393 HD3 ARG 22 1HD ARG 22 -0.054 2.194 -9.468 394 HE ARG 22 HE ARG 22 -2.621 1.102 -8.519 395 HH11 ARG 22 1HH1 ARG 22 0.596 0.605 -9.990 396 HH12 ARG 22 2HH1 ARG 22 0.484 -1.080 -10.006 397 HH21 ARG 22 1HH2 ARG 22 -2.755 -1.239 -8.536 398 HH22 ARG 22 2HH2 ARG 22 -1.473 -2.168 -9.152 399 H PHE 23 H PHE 23 -1.161 5.309 -4.775 400 HA PHE 23 HA PHE 23 -3.240 7.278 -5.459 401 HB2 PHE 23 2HB PHE 23 -3.370 4.994 -3.469 402 HB3 PHE 23 1HB PHE 23 -4.611 6.225 -3.652 403 HD1 PHE 23 2HD PHE 23 -5.839 6.374 -5.837 404 HD2 PHE 23 1HD PHE 23 -3.327 3.104 -4.835 405 HE1 PHE 23 2HE PHE 23 -6.928 5.013 -7.564 406 HE2 PHE 23 1HE PHE 23 -4.410 1.734 -6.551 407 HZ PHE 23 HZ PHE 23 -6.219 2.681 -7.923 408 H CYS 24 H CYS 24 -1.571 5.904 -2.766 409 HA CYS 24 HA CYS 24 -0.402 8.330 -1.920 410 HB2 CYS 24 2HB CYS 24 -2.690 8.765 -1.035 411 HB3 CYS 24 1HB CYS 24 -2.630 7.243 -0.163 412 HN1 NH2 25 HT1 CYS 24 1.404 7.226 -1.924 413 HN2 NH2 25 HT2 CYS 24 1.721 5.839 -0.939 Start of MODEL 18 1 H1 ASP 1 1HT ASP 1 9.852 -5.097 1.144 2 H2 ASP 1 2HT ASP 1 9.986 -5.069 2.819 3 H3 ASP 1 3HT ASP 1 11.353 -4.875 1.867 4 HA ASP 1 HA ASP 1 9.123 -2.942 2.008 5 HB2 ASP 1 2HB ASP 1 11.917 -2.902 3.023 6 HB3 ASP 1 1HB ASP 1 10.854 -1.497 2.914 7 H SER 2 H SER 2 10.627 -4.306 -0.215 8 HA SER 2 HA SER 2 12.276 -2.341 -1.434 9 HB2 SER 2 2HB SER 2 10.797 -4.622 -2.745 10 HB3 SER 2 1HB SER 2 12.180 -3.755 -3.395 11 HG SER 2 HG SER 2 13.177 -4.470 -1.254 12 H TRP 3 H TRP 3 11.732 -1.066 -3.262 13 HA TRP 3 HA TRP 3 8.959 -0.243 -3.156 14 HB2 TRP 3 2HB TRP 3 11.319 1.156 -4.408 15 HB3 TRP 3 1HB TRP 3 9.666 1.751 -4.482 16 HD1 TRP 3 HD TRP 3 12.580 2.616 -2.738 17 HE1 TRP 3 1HE TRP 3 12.136 3.539 -0.386 18 HE3 TRP 3 3HE TRP 3 7.802 0.940 -2.093 19 HZ2 TRP 3 2HZ TRP 3 10.056 3.529 1.508 20 HZ3 TRP 3 3HZ TRP 3 6.675 1.402 -0.023 21 HH2 TRP 3 HH TRP 3 7.758 2.684 1.777 22 H MET 4 H MET 4 11.322 -1.206 -5.589 23 HA MET 4 HA MET 4 9.625 -0.817 -7.790 24 HB2 MET 4 2HB MET 4 11.988 -2.656 -7.497 25 HB3 MET 4 1HB MET 4 11.143 -2.401 -9.017 26 HG2 MET 4 2HG MET 4 11.701 0.013 -8.849 27 HG3 MET 4 1HG MET 4 12.640 -0.344 -7.406 28 HE1 MET 4 3HE MET 4 15.536 -2.579 -8.834 29 HE2 MET 4 1HE MET 4 14.008 -3.159 -8.170 30 HE3 MET 4 2HE MET 4 14.849 -1.817 -7.398 31 H GLU 5 H GLU 5 10.267 -3.805 -5.972 32 HA GLU 5 HA GLU 5 7.631 -4.616 -6.824 33 HB2 GLU 5 2HB GLU 5 9.349 -5.802 -8.222 34 HB3 GLU 5 1HB GLU 5 9.940 -6.547 -6.743 35 HG2 GLU 5 2HG GLU 5 7.768 -7.565 -6.358 36 HG3 GLU 5 1HG GLU 5 7.148 -6.811 -7.821 37 H GLU 6 H GLU 6 6.433 -4.985 -5.118 38 HA GLU 6 HA GLU 6 7.284 -6.621 -2.988 39 HB2 GLU 6 2HB GLU 6 8.164 -4.147 -2.453 40 HB3 GLU 6 1HB GLU 6 6.438 -3.913 -2.206 41 HG2 GLU 6 2HG GLU 6 7.541 -4.317 -0.097 42 HG3 GLU 6 1HG GLU 6 6.350 -5.558 -0.484 43 H VAL 7 H VAL 7 5.513 -7.093 -1.753 44 HA VAL 7 HA VAL 7 2.950 -5.992 -2.344 45 HB VAL 7 HB VAL 7 3.112 -7.538 -4.238 46 HG11 VAL 7 1HG1 VAL 7 4.774 -9.076 -3.388 47 HG12 VAL 7 2HG1 VAL 7 3.359 -9.943 -3.977 48 HG13 VAL 7 3HG1 VAL 7 3.601 -9.728 -2.243 49 HG21 VAL 7 3HG2 VAL 7 1.263 -8.641 -2.123 50 HG22 VAL 7 1HG2 VAL 7 1.124 -8.938 -3.855 51 HG23 VAL 7 2HG2 VAL 7 0.909 -7.308 -3.219 52 H ILE 8 H ILE 8 1.629 -6.173 -0.668 53 HA ILE 8 HA ILE 8 2.244 -8.105 1.422 54 HB ILE 8 HB ILE 8 1.907 -6.472 3.212 55 HG12 ILE 8 2HG1 ILE 8 0.506 -4.801 1.948 56 HG13 ILE 8 1HG1 ILE 8 1.761 -4.074 2.932 57 HG21 ILE 8 1HG2 ILE 8 4.139 -5.643 1.400 58 HG22 ILE 8 2HG2 ILE 8 4.166 -6.915 2.619 59 HG23 ILE 8 3HG2 ILE 8 3.999 -5.230 3.110 60 HD11 ILE 8 3HD1 ILE 8 1.540 -2.928 0.812 61 HD12 ILE 8 1HD1 ILE 8 1.818 -4.435 -0.063 62 HD13 ILE 8 2HD1 ILE 8 3.110 -3.726 0.904 63 H LYS 9 H LYS 9 0.355 -8.332 2.915 64 HA LYS 9 HA LYS 9 -2.059 -7.440 1.569 65 HB2 LYS 9 2HB LYS 9 -3.225 -9.538 2.183 66 HB3 LYS 9 1HB LYS 9 -1.912 -9.789 1.054 67 HG2 LYS 9 2HG LYS 9 -0.511 -10.538 3.008 68 HG3 LYS 9 1HG LYS 9 -1.967 -10.443 3.990 69 HD2 LYS 9 2HD LYS 9 -1.604 -12.186 1.542 70 HD3 LYS 9 1HD LYS 9 -1.569 -12.738 3.214 71 HE2 LYS 9 2HE LYS 9 -3.948 -11.477 1.828 72 HE3 LYS 9 1HE LYS 9 -3.724 -13.196 2.117 73 HZ1 LYS 9 3HZ LYS 9 -5.158 -12.250 3.774 74 HZ2 LYS 9 1HZ LYS 9 -3.995 -11.112 4.226 75 HZ3 LYS 9 2HZ LYS 9 -3.724 -12.746 4.501 76 H LEU 10 H LEU 10 -2.234 -5.736 2.798 77 HA LEU 10 HA LEU 10 -2.794 -6.129 5.661 78 HB2 LEU 10 2HB LEU 10 -1.626 -3.850 4.126 79 HB3 LEU 10 1HB LEU 10 -2.539 -3.520 5.563 80 HG LEU 10 HG LEU 10 -1.012 -4.688 6.947 81 HD11 LEU 10 1HD1 LEU 10 -0.367 -6.540 5.462 82 HD12 LEU 10 2HD1 LEU 10 1.070 -5.725 6.082 83 HD13 LEU 10 3HD1 LEU 10 0.518 -5.413 4.435 84 HD21 LEU 10 3HD2 LEU 10 0.525 -2.979 5.008 85 HD22 LEU 10 1HD2 LEU 10 1.009 -3.349 6.658 86 HD23 LEU 10 2HD2 LEU 10 -0.439 -2.379 6.348 87 H CYS 11 H CYS 11 -4.226 -4.285 6.413 88 HA CYS 11 HA CYS 11 -6.408 -3.803 4.532 89 HB2 CYS 11 2HB CYS 11 -7.004 -5.109 7.187 90 HB3 CYS 11 1HB CYS 11 -8.115 -4.737 5.876 91 H GLY 12 H GLY 12 -8.004 -2.307 5.467 92 HA2 GLY 12 2HA GLY 12 -8.617 -0.379 6.554 93 HA3 GLY 12 1HA GLY 12 -8.092 -1.254 7.962 94 H ARG 13 H ARG 13 -6.983 -0.079 9.145 95 HA ARG 13 HA ARG 13 -5.681 2.266 8.245 96 HB2 ARG 13 2HB ARG 13 -5.874 1.009 10.964 97 HB3 ARG 13 1HB ARG 13 -4.953 2.475 10.664 98 HG2 ARG 13 2HG ARG 13 -7.892 2.161 10.068 99 HG3 ARG 13 1HG ARG 13 -7.236 2.902 11.529 100 HD2 ARG 13 2HD ARG 13 -6.123 4.593 10.186 101 HD3 ARG 13 1HD ARG 13 -6.723 3.858 8.706 102 HE ARG 13 HE ARG 13 -8.987 4.341 9.898 103 HH11 ARG 13 1HH1 ARG 13 -6.130 6.429 9.822 104 HH12 ARG 13 2HH1 ARG 13 -7.002 7.883 9.788 105 HH21 ARG 13 1HH2 ARG 13 -10.222 6.394 9.830 106 HH22 ARG 13 2HH2 ARG 13 -9.368 7.854 9.755 107 H GLU 14 H GLU 14 -4.572 -0.988 8.582 108 HA GLU 14 HA GLU 14 -1.841 -0.264 8.940 109 HB2 GLU 14 2HB GLU 14 -3.172 -2.747 7.854 110 HB3 GLU 14 1HB GLU 14 -1.437 -2.588 8.068 111 HG2 GLU 14 2HG GLU 14 -3.517 -2.470 10.240 112 HG3 GLU 14 1HG GLU 14 -2.439 -3.822 9.900 113 H LEU 15 H LEU 15 -4.009 -0.725 6.276 114 HA LEU 15 HA LEU 15 -2.175 -0.501 4.124 115 HB2 LEU 15 2HB LEU 15 -5.014 0.470 4.302 116 HB3 LEU 15 1HB LEU 15 -4.087 0.343 2.824 117 HG LEU 15 HG LEU 15 -4.756 -2.006 4.568 118 HD11 LEU 15 1HD1 LEU 15 -6.447 -2.478 2.862 119 HD12 LEU 15 2HD1 LEU 15 -6.125 -0.888 2.139 120 HD13 LEU 15 3HD1 LEU 15 -6.783 -1.013 3.771 121 HD21 LEU 15 3HD2 LEU 15 -3.826 -1.800 1.715 122 HD22 LEU 15 1HD2 LEU 15 -4.215 -3.260 2.626 123 HD23 LEU 15 2HD2 LEU 15 -2.828 -2.276 3.103 124 H VAL 16 H VAL 16 -4.013 1.885 5.949 125 HA VAL 16 HA VAL 16 -3.070 4.174 4.497 126 HB VAL 16 HB VAL 16 -4.013 4.102 7.388 127 HG11 VAL 16 1HG1 VAL 16 -3.929 6.374 5.407 128 HG12 VAL 16 2HG1 VAL 16 -2.901 6.184 6.828 129 HG13 VAL 16 3HG1 VAL 16 -4.635 6.445 7.021 130 HG21 VAL 16 3HG2 VAL 16 -5.627 4.514 4.877 131 HG22 VAL 16 1HG2 VAL 16 -6.231 4.683 6.527 132 HG23 VAL 16 2HG2 VAL 16 -5.687 3.110 5.944 133 H ARG 17 H ARG 17 -2.011 2.637 7.475 134 HA ARG 17 HA ARG 17 0.120 4.327 8.061 135 HB2 ARG 17 2HB ARG 17 -0.443 1.459 8.679 136 HB3 ARG 17 1HB ARG 17 1.057 2.182 9.214 137 HG2 ARG 17 2HG ARG 17 -0.194 3.845 10.488 138 HG3 ARG 17 1HG ARG 17 -1.710 3.160 9.898 139 HD2 ARG 17 2HD ARG 17 -1.280 1.093 11.037 140 HD3 ARG 17 1HD ARG 17 0.340 1.632 11.482 141 HE ARG 17 HE ARG 17 -1.226 3.518 12.552 142 HH11 ARG 17 1HH1 ARG 17 -1.471 -0.021 12.764 143 HH12 ARG 17 2HH1 ARG 17 -1.961 0.007 14.394 144 HH21 ARG 17 1HH2 ARG 17 -1.926 3.518 14.760 145 HH22 ARG 17 2HH2 ARG 17 -2.246 2.051 15.557 146 H ALA 18 H ALA 18 -0.047 1.543 6.005 147 HA ALA 18 HA ALA 18 2.677 1.479 5.298 148 HB1 ALA 18 1HB ALA 18 1.969 0.114 3.386 149 HB2 ALA 18 2HB ALA 18 0.292 0.568 3.684 150 HB3 ALA 18 3HB ALA 18 1.162 -0.406 4.868 151 H GLN 19 H GLN 19 -0.135 2.812 3.626 152 HA GLN 19 HA GLN 19 0.969 3.972 1.396 153 HB2 GLN 19 2HB GLN 19 -1.359 4.515 3.133 154 HB3 GLN 19 1HB GLN 19 -1.081 5.649 1.846 155 HG2 GLN 19 2HG GLN 19 -1.252 3.857 0.226 156 HG3 GLN 19 1HG GLN 19 -1.352 2.668 1.534 157 HE21 GLN 19 1HE2 GLN 19 -3.283 1.894 0.759 158 HE22 GLN 19 2HE2 GLN 19 -4.758 2.785 0.916 159 H ILE 20 H ILE 20 0.294 5.632 4.446 160 HA ILE 20 HA ILE 20 1.469 8.090 3.749 161 HB ILE 20 HB ILE 20 1.112 6.926 6.529 162 HG12 ILE 20 2HG1 ILE 20 -1.021 7.038 5.358 163 HG13 ILE 20 1HG1 ILE 20 -0.970 8.266 6.613 164 HG21 ILE 20 1HG2 ILE 20 2.678 8.780 6.588 165 HG22 ILE 20 2HG2 ILE 20 1.153 9.250 7.340 166 HG23 ILE 20 3HG2 ILE 20 1.539 9.800 5.710 167 HD11 ILE 20 3HD1 ILE 20 -2.012 9.131 4.611 168 HD12 ILE 20 1HD1 ILE 20 -0.588 8.716 3.655 169 HD13 ILE 20 2HD1 ILE 20 -0.481 9.959 4.900 170 H ALA 21 H ALA 21 2.878 5.234 5.295 171 HA ALA 21 HA ALA 21 5.371 6.467 5.860 172 HB1 ALA 21 1HB ALA 21 4.751 3.536 5.556 173 HB2 ALA 21 2HB ALA 21 4.620 4.463 7.050 174 HB3 ALA 21 3HB ALA 21 6.198 4.218 6.299 175 H ILE 22 H ILE 22 4.058 4.880 3.056 176 HA ILE 22 HA ILE 22 6.489 4.472 1.665 177 HB ILE 22 HB ILE 22 3.726 4.983 0.520 178 HG12 ILE 22 2HG1 ILE 22 5.220 2.405 0.970 179 HG13 ILE 22 1HG1 ILE 22 3.898 2.991 1.967 180 HG21 ILE 22 1HG2 ILE 22 6.206 3.872 -0.804 181 HG22 ILE 22 2HG2 ILE 22 5.469 5.444 -1.124 182 HG23 ILE 22 3HG2 ILE 22 4.599 3.962 -1.527 183 HD11 ILE 22 3HD1 ILE 22 3.721 2.225 -0.937 184 HD12 ILE 22 1HD1 ILE 22 2.401 2.860 0.046 185 HD13 ILE 22 2HD1 ILE 22 3.118 1.295 0.438 186 H CYS 23 H CYS 23 4.164 7.113 1.666 187 HA CYS 23 HA CYS 23 5.668 8.717 -0.167 188 HB2 CYS 23 2HB CYS 23 3.419 9.257 1.713 189 HB3 CYS 23 1HB CYS 23 4.158 10.546 0.780 190 H GLY 24 H GLY 24 5.642 8.308 3.184 191 HA2 GLY 24 2HA GLY 24 7.254 10.544 3.882 192 HA3 GLY 24 1HA GLY 24 7.056 9.090 4.853 193 H MET 25 H MET 25 7.980 7.224 2.920 194 HA MET 25 HA MET 25 10.835 7.773 3.167 195 HB2 MET 25 2HB MET 25 9.362 5.178 2.824 196 HB3 MET 25 1HB MET 25 11.115 5.309 2.829 197 HG2 MET 25 2HG MET 25 11.004 6.220 5.109 198 HG3 MET 25 1HG MET 25 9.255 6.005 5.082 199 HE1 MET 25 3HE MET 25 8.905 2.100 4.904 200 HE2 MET 25 1HE MET 25 8.936 3.208 3.533 201 HE3 MET 25 2HE MET 25 8.048 3.639 4.992 202 H SER 26 H SER 26 9.166 8.725 1.017 203 HA SER 26 HA SER 26 10.225 7.328 -1.307 204 HB2 SER 26 2HB SER 26 8.439 9.757 -1.058 205 HB3 SER 26 1HB SER 26 8.993 9.117 -2.611 206 HG SER 26 HG SER 26 7.701 7.447 -0.725 207 H THR 27 H THR 27 12.055 8.452 0.523 208 HA THR 27 HA THR 27 13.227 10.822 -0.533 209 HB THR 27 HB THR 27 14.468 8.751 1.285 210 HG1 THR 27 1HG THR 27 12.744 10.916 1.965 211 HG21 THR 27 3HG2 THR 27 14.841 11.757 1.121 212 HG22 THR 27 1HG2 THR 27 15.980 10.549 0.524 213 HG23 THR 27 2HG2 THR 27 15.659 10.679 2.253 214 H TRP 28 H TRP 28 13.189 7.669 -1.229 215 HA TRP 28 HA TRP 28 15.041 7.937 -3.433 216 HB2 TRP 28 2HB TRP 28 16.110 5.722 -3.024 217 HB3 TRP 28 1HB TRP 28 16.447 6.833 -1.708 218 HD1 TRP 28 HD TRP 28 14.795 3.504 -2.477 219 HE1 TRP 28 1HE TRP 28 14.075 2.376 -0.265 220 HE3 TRP 28 3HE TRP 28 15.644 7.366 0.723 221 HZ2 TRP 28 2HZ TRP 28 13.878 3.044 2.446 222 HZ3 TRP 28 3HZ TRP 28 15.160 7.052 3.125 223 HH2 TRP 28 HH TRP 28 14.299 4.927 3.963 224 H SER 29 H SER 29 14.482 6.515 -5.168 225 HA SER 29 HA SER 29 11.740 5.516 -4.887 226 HB2 SER 29 2HB SER 29 13.128 6.557 -7.355 227 HB3 SER 29 1HB SER 29 11.440 6.054 -7.242 228 HG SER 29 HG SER 29 12.431 7.991 -5.494 229 HN1 NH2 30 HT1 SER 29 12.227 3.441 -4.394 230 HN2 NH2 30 HT2 SER 29 13.111 2.361 -5.418 231 HA PCA 1 HA PCA 1 -14.292 4.152 -3.187 232 HB2 PCA 1 2HB PCA 1 -14.996 2.041 -4.963 233 HB3 PCA 1 1HB PCA 1 -16.114 2.888 -3.854 234 HG2 PCA 1 2HG PCA 1 -16.049 3.020 -6.724 235 HG3 PCA 1 1HG PCA 1 -17.074 4.002 -5.620 236 H LEU 2 H LEU 2 -12.440 5.058 -5.092 237 HA LEU 2 HA LEU 2 -10.829 3.105 -6.332 238 HB2 LEU 2 2HB LEU 2 -10.722 5.495 -6.848 239 HB3 LEU 2 1HB LEU 2 -10.018 5.808 -5.278 240 HG LEU 2 HG LEU 2 -8.032 4.478 -5.956 241 HD11 LEU 2 1HD1 LEU 2 -7.706 3.969 -8.324 242 HD12 LEU 2 2HD1 LEU 2 -9.369 4.459 -8.648 243 HD13 LEU 2 3HD1 LEU 2 -9.046 3.056 -7.630 244 HD21 LEU 2 3HD2 LEU 2 -7.123 6.174 -7.475 245 HD22 LEU 2 1HD2 LEU 2 -8.014 6.897 -6.134 246 HD23 LEU 2 2HD2 LEU 2 -8.753 6.799 -7.733 247 H TYR 3 H TYR 3 -10.370 4.703 -3.261 248 HA TYR 3 HA TYR 3 -8.012 3.274 -2.537 249 HB2 TYR 3 2HB TYR 3 -9.931 4.968 -0.988 250 HB3 TYR 3 1HB TYR 3 -8.563 4.188 -0.225 251 HD1 TYR 3 1HD TYR 3 -9.573 6.672 -2.789 252 HD2 TYR 3 2HD TYR 3 -6.357 5.118 -0.482 253 HE1 TYR 3 1HE TYR 3 -8.163 8.540 -3.512 254 HE2 TYR 3 2HE TYR 3 -4.938 6.980 -1.197 255 HH TYR 3 HH TYR 3 -6.187 9.734 -2.725 256 H SER 4 H SER 4 -11.308 3.075 -1.522 257 HA SER 4 HA SER 4 -11.177 0.922 0.198 258 HB2 SER 4 2HB SER 4 -13.442 1.659 -1.657 259 HB3 SER 4 1HB SER 4 -13.583 0.752 -0.147 260 HG SER 4 HG SER 4 -14.020 3.094 -0.068 261 H ALA 5 H ALA 5 -11.321 0.919 -3.332 262 HA ALA 5 HA ALA 5 -11.773 -1.857 -3.643 263 HB1 ALA 5 1HB ALA 5 -10.429 0.062 -5.548 264 HB2 ALA 5 2HB ALA 5 -12.162 -0.215 -5.433 265 HB3 ALA 5 3HB ALA 5 -11.100 -1.519 -5.964 266 H LEU 6 H LEU 6 -8.837 0.125 -3.580 267 HA LEU 6 HA LEU 6 -6.966 -1.956 -3.922 268 HB2 LEU 6 2HB LEU 6 -6.308 0.413 -4.079 269 HB3 LEU 6 1HB LEU 6 -6.700 0.653 -2.390 270 HG LEU 6 HG LEU 6 -4.872 -0.925 -1.788 271 HD11 LEU 6 1HD1 LEU 6 -4.217 -0.772 -4.717 272 HD12 LEU 6 2HD1 LEU 6 -4.726 -2.206 -3.820 273 HD13 LEU 6 3HD1 LEU 6 -3.171 -1.450 -3.473 274 HD21 LEU 6 3HD2 LEU 6 -4.475 1.480 -1.715 275 HD22 LEU 6 1HD2 LEU 6 -4.017 1.474 -3.414 276 HD23 LEU 6 2HD2 LEU 6 -3.017 0.642 -2.226 277 H ALA 7 H ALA 7 -8.527 -0.582 -1.119 278 HA ALA 7 HA ALA 7 -7.250 -1.976 0.904 279 HB1 ALA 7 1HB ALA 7 -8.775 -0.090 1.296 280 HB2 ALA 7 2HB ALA 7 -9.204 -1.493 2.276 281 HB3 ALA 7 3HB ALA 7 -10.137 -1.107 0.830 282 H ASN 8 H ASN 8 -10.237 -2.822 -0.789 283 HA ASN 8 HA ASN 8 -10.661 -5.297 0.475 284 HB2 ASN 8 2HB ASN 8 -11.472 -4.418 -2.306 285 HB3 ASN 8 1HB ASN 8 -12.032 -5.897 -1.538 286 HD21 ASN 8 1HD2 ASN 8 -13.489 -3.553 -2.485 287 HD22 ASN 8 2HD2 ASN 8 -14.382 -2.963 -1.142 288 H LYS 9 H LYS 9 -9.024 -4.545 -2.542 289 HA LYS 9 HA LYS 9 -8.393 -7.184 -3.331 290 HB2 LYS 9 2HB LYS 9 -8.240 -4.945 -4.662 291 HB3 LYS 9 1HB LYS 9 -6.709 -4.746 -3.861 292 HG2 LYS 9 2HG LYS 9 -5.887 -6.829 -4.894 293 HG3 LYS 9 1HG LYS 9 -7.416 -6.970 -5.771 294 HD2 LYS 9 2HD LYS 9 -7.001 -4.689 -6.700 295 HD3 LYS 9 1HD LYS 9 -5.397 -4.732 -5.977 296 HE2 LYS 9 2HE LYS 9 -5.162 -5.328 -8.273 297 HE3 LYS 9 1HE LYS 9 -4.966 -6.808 -7.343 298 HZ1 LYS 9 3HZ LYS 9 -7.455 -5.966 -8.701 299 HZ2 LYS 9 1HZ LYS 9 -7.241 -7.416 -7.884 300 HZ3 LYS 9 2HZ LYS 9 -6.385 -7.115 -9.299 301 H CYS 10 H CYS 10 -6.562 -4.856 -1.427 302 HA CYS 10 HA CYS 10 -4.275 -6.547 -1.099 303 HB2 CYS 10 2HB CYS 10 -4.452 -3.972 -0.873 304 HB3 CYS 10 1HB CYS 10 -5.103 -4.308 0.716 305 H CYS 11 H CYS 11 -7.257 -6.026 0.676 306 HA CYS 11 HA CYS 11 -6.350 -7.418 2.961 307 HB2 CYS 11 2HB CYS 11 -8.271 -5.676 2.757 308 HB3 CYS 11 1HB CYS 11 -9.241 -7.040 2.233 309 H HIS 12 H HIS 12 -7.947 -8.322 -0.049 310 HA HIS 12 HA HIS 12 -8.503 -10.980 0.913 311 HB2 HIS 12 2HB HIS 12 -8.879 -9.641 -1.747 312 HB3 HIS 12 1HB HIS 12 -9.072 -11.379 -1.573 313 HD1 HIS 12 1HD HIS 12 -11.420 -12.056 -1.121 314 HD2 HIS 12 2HD HIS 12 -10.602 -8.225 0.217 315 HE1 HIS 12 1HE HIS 12 -13.611 -11.155 -0.225 316 H VAL 13 H VAL 13 -6.395 -9.668 -1.604 317 HA VAL 13 HA VAL 13 -4.865 -12.148 -1.353 318 HB VAL 13 HB VAL 13 -4.077 -11.753 -3.703 319 HG11 VAL 13 1HG1 VAL 13 -7.056 -12.050 -3.294 320 HG12 VAL 13 2HG1 VAL 13 -5.873 -13.356 -3.182 321 HG13 VAL 13 3HG1 VAL 13 -6.190 -12.576 -4.738 322 HG21 VAL 13 3HG2 VAL 13 -4.592 -9.389 -3.971 323 HG22 VAL 13 1HG2 VAL 13 -6.314 -9.719 -3.757 324 HG23 VAL 13 2HG2 VAL 13 -5.470 -10.332 -5.176 325 H GLY 14 H GLY 14 -4.473 -8.769 -2.175 326 HA2 GLY 14 2HA GLY 14 -2.752 -7.918 -0.377 327 HA3 GLY 14 1HA GLY 14 -1.687 -8.847 -1.411 328 H CYS 15 H CYS 15 -1.085 -6.350 -1.249 329 HA CYS 15 HA CYS 15 -1.898 -5.312 -3.836 330 HB2 CYS 15 2HB CYS 15 -1.843 -3.043 -2.862 331 HB3 CYS 15 1HB CYS 15 -3.205 -4.027 -2.372 332 H THR 16 H THR 16 -0.352 -3.985 -4.815 333 HA THR 16 HA THR 16 2.268 -4.695 -3.964 334 HB THR 16 HB THR 16 2.901 -3.538 -6.147 335 HG1 THR 16 1HG THR 16 0.972 -3.501 -7.569 336 HG21 THR 16 3HG2 THR 16 2.128 -5.442 -7.508 337 HG22 THR 16 1HG2 THR 16 1.007 -5.889 -6.223 338 HG23 THR 16 2HG2 THR 16 2.746 -5.969 -5.943 339 H LYS 17 H LYS 17 3.800 -3.268 -3.567 340 HA LYS 17 HA LYS 17 3.047 -1.170 -1.773 341 HB2 LYS 17 2HB LYS 17 5.127 -2.664 -1.902 342 HB3 LYS 17 1HB LYS 17 5.789 -1.458 -3.003 343 HG2 LYS 17 2HG LYS 17 6.649 -1.046 -0.907 344 HG3 LYS 17 1HG LYS 17 5.407 0.199 -1.157 345 HD2 LYS 17 2HD LYS 17 3.852 -1.071 0.226 346 HD3 LYS 17 1HD LYS 17 5.032 -2.372 0.393 347 HE2 LYS 17 2HE LYS 17 6.561 -0.795 1.514 348 HE3 LYS 17 1HE LYS 17 5.320 0.449 1.395 349 HZ1 LYS 17 3HZ LYS 17 5.380 -0.612 3.548 350 HZ2 LYS 17 1HZ LYS 17 5.054 -2.099 2.878 351 HZ3 LYS 17 2HZ LYS 17 3.893 -0.883 2.847 352 H ARG 18 H ARG 18 4.192 -1.109 -5.093 353 HA ARG 18 HA ARG 18 4.301 1.719 -5.289 354 HB2 ARG 18 2HB ARG 18 4.022 -0.393 -7.416 355 HB3 ARG 18 1HB ARG 18 4.215 1.316 -7.764 356 HG2 ARG 18 2HG ARG 18 6.376 1.309 -6.649 357 HG3 ARG 18 1HG ARG 18 6.192 -0.401 -6.272 358 HD2 ARG 18 2HD ARG 18 7.595 -0.112 -8.229 359 HD3 ARG 18 1HD ARG 18 6.079 -0.895 -8.680 360 HE ARG 18 HE ARG 18 6.212 1.981 -8.927 361 HH11 ARG 18 1HH1 ARG 18 6.443 -1.146 -10.637 362 HH12 ARG 18 2HH1 ARG 18 6.132 -0.463 -12.157 363 HH21 ARG 18 1HH2 ARG 18 5.803 2.868 -11.047 364 HH22 ARG 18 2HH2 ARG 18 5.754 1.838 -12.399 365 H SER 19 H SER 19 1.730 -0.538 -5.395 366 HA SER 19 HA SER 19 -0.074 1.177 -6.769 367 HB2 SER 19 2HB SER 19 -0.295 -1.272 -6.814 368 HB3 SER 19 1HB SER 19 -0.627 -1.328 -5.102 369 HG SER 19 HG SER 19 -2.192 0.213 -6.927 370 H LEU 20 H LEU 20 0.569 0.320 -3.361 371 HA LEU 20 HA LEU 20 -1.401 2.229 -2.432 372 HB2 LEU 20 2HB LEU 20 0.909 1.588 -0.583 373 HB3 LEU 20 1HB LEU 20 -0.699 2.023 -0.254 374 HG LEU 20 HG LEU 20 -1.420 -0.274 -1.097 375 HD11 LEU 20 1HD1 LEU 20 0.724 -0.896 -2.081 376 HD12 LEU 20 2HD1 LEU 20 0.227 -2.001 -0.802 377 HD13 LEU 20 3HD1 LEU 20 1.465 -0.785 -0.483 378 HD21 LEU 20 3HD2 LEU 20 -1.533 0.470 1.228 379 HD22 LEU 20 1HD2 LEU 20 0.174 0.042 1.412 380 HD23 LEU 20 2HD2 LEU 20 -1.016 -1.220 1.101 381 H ALA 21 H ALA 21 1.842 2.366 -3.310 382 HA ALA 21 HA ALA 21 2.495 4.959 -2.362 383 HB1 ALA 21 1HB ALA 21 4.159 3.338 -3.334 384 HB2 ALA 21 2HB ALA 21 4.297 4.981 -3.956 385 HB3 ALA 21 3HB ALA 21 3.512 3.738 -4.925 386 H ARG 22 H ARG 22 0.977 3.857 -5.278 387 HA ARG 22 HA ARG 22 0.746 6.335 -6.579 388 HB2 ARG 22 2HB ARG 22 0.567 4.219 -7.748 389 HB3 ARG 22 1HB ARG 22 -0.828 3.770 -6.795 390 HG2 ARG 22 2HG ARG 22 -1.486 4.390 -9.032 391 HG3 ARG 22 1HG ARG 22 -2.122 5.542 -7.860 392 HD2 ARG 22 2HD ARG 22 0.424 6.021 -9.380 393 HD3 ARG 22 1HD ARG 22 -1.145 6.483 -10.034 394 HE ARG 22 HE ARG 22 -1.081 7.595 -7.557 395 HH11 ARG 22 1HH1 ARG 22 1.071 7.763 -10.330 396 HH12 ARG 22 2HH1 ARG 22 1.544 9.378 -10.062 397 HH21 ARG 22 1HH2 ARG 22 -0.417 9.782 -7.132 398 HH22 ARG 22 2HH2 ARG 22 0.685 10.558 -8.168 399 H PHE 23 H PHE 23 -1.081 4.762 -4.149 400 HA PHE 23 HA PHE 23 -3.313 6.593 -4.427 401 HB2 PHE 23 2HB PHE 23 -2.836 4.226 -2.634 402 HB3 PHE 23 1HB PHE 23 -4.192 5.315 -2.372 403 HD1 PHE 23 1HD PHE 23 -2.713 3.861 -5.486 404 HD2 PHE 23 2HD PHE 23 -6.117 4.246 -2.992 405 HE1 PHE 23 1HE PHE 23 -4.027 2.589 -7.112 406 HE2 PHE 23 2HE PHE 23 -7.440 2.967 -4.616 407 HZ PHE 23 HZ PHE 23 -6.397 2.140 -6.679 408 H CYS 24 H CYS 24 -1.312 5.655 -1.774 409 HA CYS 24 HA CYS 24 -0.331 6.730 -0.066 410 HB2 CYS 24 2HB CYS 24 0.671 8.068 -1.909 411 HB3 CYS 24 1HB CYS 24 -0.619 9.245 -1.715 412 HN1 NH2 25 HT1 CYS 24 -2.624 9.257 -1.047 413 HN2 NH2 25 HT2 CYS 24 -3.415 9.370 0.486 Start of MODEL 19 1 H1 ASP 1 1HT ASP 1 13.158 2.574 -5.486 2 H2 ASP 1 2HT ASP 1 11.606 2.644 -4.742 3 H3 ASP 1 3HT ASP 1 12.042 3.742 -5.902 4 HA ASP 1 HA ASP 1 10.502 2.130 -6.690 5 HB2 ASP 1 2HB ASP 1 13.146 2.412 -8.111 6 HB3 ASP 1 1HB ASP 1 11.669 1.829 -8.874 7 H SER 2 H SER 2 13.640 0.657 -5.993 8 HA SER 2 HA SER 2 12.962 -1.886 -6.925 9 HB2 SER 2 2HB SER 2 14.891 -1.097 -4.742 10 HB3 SER 2 1HB SER 2 14.781 -2.727 -5.406 11 HG SER 2 HG SER 2 15.795 -2.132 -7.074 12 H TRP 3 H TRP 3 12.230 -0.380 -4.172 13 HA TRP 3 HA TRP 3 11.090 -2.708 -2.812 14 HB2 TRP 3 2HB TRP 3 10.600 -1.045 -0.945 15 HB3 TRP 3 1HB TRP 3 12.291 -1.290 -1.337 16 HD1 TRP 3 HD TRP 3 13.686 0.853 -1.833 17 HE1 TRP 3 1HE TRP 3 13.126 3.338 -2.149 18 HE3 TRP 3 3HE TRP 3 8.582 0.581 -1.951 19 HZ2 TRP 3 2HZ TRP 3 10.866 4.965 -2.427 20 HZ3 TRP 3 3HZ TRP 3 7.321 2.561 -2.275 21 HH2 TRP 3 HH TRP 3 8.412 4.778 -2.492 22 H MET 4 H MET 4 10.040 -0.573 -5.073 23 HA MET 4 HA MET 4 7.424 0.026 -3.981 24 HB2 MET 4 2HB MET 4 8.717 1.687 -5.252 25 HB3 MET 4 1HB MET 4 8.664 0.655 -6.666 26 HG2 MET 4 2HG MET 4 6.304 0.950 -6.835 27 HG3 MET 4 1HG MET 4 6.263 1.905 -5.347 28 HE1 MET 4 3HE MET 4 4.990 2.921 -8.109 29 HE2 MET 4 1HE MET 4 5.548 4.594 -8.139 30 HE3 MET 4 2HE MET 4 4.978 3.882 -6.630 31 H GLU 5 H GLU 5 8.887 -2.369 -5.829 32 HA GLU 5 HA GLU 5 6.498 -3.259 -7.203 33 HB2 GLU 5 2HB GLU 5 9.342 -4.246 -7.100 34 HB3 GLU 5 1HB GLU 5 8.072 -5.083 -7.980 35 HG2 GLU 5 2HG GLU 5 8.813 -2.215 -8.476 36 HG3 GLU 5 1HG GLU 5 9.522 -3.569 -9.354 37 H GLU 6 H GLU 6 7.001 -3.306 -4.157 38 HA GLU 6 HA GLU 6 7.080 -6.046 -3.424 39 HB2 GLU 6 2HB GLU 6 7.920 -3.889 -2.153 40 HB3 GLU 6 1HB GLU 6 6.240 -3.745 -1.748 41 HG2 GLU 6 2HG GLU 6 6.189 -5.852 -0.611 42 HG3 GLU 6 1HG GLU 6 7.857 -6.182 -1.081 43 H VAL 7 H VAL 7 5.433 -6.883 -2.303 44 HA VAL 7 HA VAL 7 2.705 -5.883 -2.697 45 HB VAL 7 HB VAL 7 3.098 -7.595 -4.457 46 HG11 VAL 7 1HG1 VAL 7 4.813 -8.895 -3.411 47 HG12 VAL 7 2HG1 VAL 7 3.470 -9.934 -3.878 48 HG13 VAL 7 3HG1 VAL 7 3.680 -9.470 -2.189 49 HG21 VAL 7 3HG2 VAL 7 1.203 -9.103 -3.979 50 HG22 VAL 7 1HG2 VAL 7 0.832 -7.427 -3.572 51 HG23 VAL 7 2HG2 VAL 7 1.222 -8.576 -2.296 52 H ILE 8 H ILE 8 1.366 -6.228 -0.995 53 HA ILE 8 HA ILE 8 2.368 -7.790 1.263 54 HB ILE 8 HB ILE 8 1.782 -6.040 2.862 55 HG12 ILE 8 2HG1 ILE 8 1.180 -4.333 0.447 56 HG13 ILE 8 1HG1 ILE 8 -0.005 -4.976 1.562 57 HG21 ILE 8 1HG2 ILE 8 4.072 -6.057 2.095 58 HG22 ILE 8 2HG2 ILE 8 3.541 -4.395 2.383 59 HG23 ILE 8 3HG2 ILE 8 3.650 -5.015 0.737 60 HD11 ILE 8 3HD1 ILE 8 0.377 -2.651 2.057 61 HD12 ILE 8 1HD1 ILE 8 2.115 -2.941 2.218 62 HD13 ILE 8 2HD1 ILE 8 0.988 -3.657 3.366 63 H LYS 9 H LYS 9 0.554 -7.871 2.941 64 HA LYS 9 HA LYS 9 -2.057 -7.669 1.712 65 HB2 LYS 9 2HB LYS 9 -1.396 -10.023 1.414 66 HB3 LYS 9 1HB LYS 9 -1.081 -10.166 3.137 67 HG2 LYS 9 2HG LYS 9 -3.437 -9.783 3.609 68 HG3 LYS 9 1HG LYS 9 -3.760 -9.600 1.890 69 HD2 LYS 9 2HD LYS 9 -3.126 -11.889 1.482 70 HD3 LYS 9 1HD LYS 9 -2.644 -12.091 3.169 71 HE2 LYS 9 2HE LYS 9 -5.434 -11.434 2.227 72 HE3 LYS 9 1HE LYS 9 -4.874 -13.042 2.677 73 HZ1 LYS 9 3HZ LYS 9 -4.977 -10.681 4.502 74 HZ2 LYS 9 1HZ LYS 9 -4.460 -12.226 4.924 75 HZ3 LYS 9 2HZ LYS 9 -6.052 -11.968 4.492 76 H LEU 10 H LEU 10 -2.277 -5.871 2.986 77 HA LEU 10 HA LEU 10 -2.600 -6.273 5.900 78 HB2 LEU 10 2HB LEU 10 -1.392 -3.993 4.381 79 HB3 LEU 10 1HB LEU 10 -2.256 -3.675 5.847 80 HG LEU 10 HG LEU 10 -0.729 -4.930 7.165 81 HD11 LEU 10 1HD1 LEU 10 0.753 -5.579 4.603 82 HD12 LEU 10 2HD1 LEU 10 -0.145 -6.731 5.589 83 HD13 LEU 10 3HD1 LEU 10 1.314 -5.971 6.228 84 HD21 LEU 10 3HD2 LEU 10 -0.158 -2.592 6.537 85 HD22 LEU 10 1HD2 LEU 10 0.880 -3.222 5.281 86 HD23 LEU 10 2HD2 LEU 10 1.246 -3.565 6.974 87 H CYS 11 H CYS 11 -3.938 -4.393 6.746 88 HA CYS 11 HA CYS 11 -6.159 -3.807 4.941 89 HB2 CYS 11 2HB CYS 11 -6.684 -5.141 7.579 90 HB3 CYS 11 1HB CYS 11 -7.842 -4.679 6.340 91 H GLY 12 H GLY 12 -7.665 -2.268 5.867 92 HA2 GLY 12 2HA GLY 12 -8.247 -0.332 6.998 93 HA3 GLY 12 1HA GLY 12 -7.783 -1.264 8.388 94 H ARG 13 H ARG 13 -6.575 -0.301 9.606 95 HA ARG 13 HA ARG 13 -5.303 2.157 9.031 96 HB2 ARG 13 2HB ARG 13 -6.243 1.691 11.235 97 HB3 ARG 13 1HB ARG 13 -5.092 0.386 11.463 98 HG2 ARG 13 2HG ARG 13 -3.257 1.972 11.514 99 HG3 ARG 13 1HG ARG 13 -4.370 3.295 11.178 100 HD2 ARG 13 2HD ARG 13 -4.501 1.516 13.615 101 HD3 ARG 13 1HD ARG 13 -3.748 3.109 13.579 102 HE ARG 13 HE ARG 13 -6.463 3.130 12.676 103 HH11 ARG 13 1HH1 ARG 13 -4.490 3.154 15.616 104 HH12 ARG 13 2HH1 ARG 13 -5.614 4.043 16.533 105 HH21 ARG 13 1HH2 ARG 13 -8.012 4.331 13.946 106 HH22 ARG 13 2HH2 ARG 13 -7.652 4.729 15.566 107 H GLU 14 H GLU 14 -4.132 -1.175 9.017 108 HA GLU 14 HA GLU 14 -1.371 -0.423 9.156 109 HB2 GLU 14 2HB GLU 14 -2.784 -2.952 8.340 110 HB3 GLU 14 1HB GLU 14 -1.052 -2.777 8.200 111 HG2 GLU 14 2HG GLU 14 -1.555 -3.987 10.198 112 HG3 GLU 14 1HG GLU 14 -0.927 -2.405 10.636 113 H LEU 15 H LEU 15 -3.730 -0.845 6.653 114 HA LEU 15 HA LEU 15 -1.974 -0.651 4.423 115 HB2 LEU 15 2HB LEU 15 -4.801 0.318 4.739 116 HB3 LEU 15 1HB LEU 15 -3.943 0.294 3.212 117 HG LEU 15 HG LEU 15 -4.585 -2.140 4.855 118 HD11 LEU 15 1HD1 LEU 15 -5.924 -0.983 2.421 119 HD12 LEU 15 2HD1 LEU 15 -6.611 -1.142 4.052 120 HD13 LEU 15 3HD1 LEU 15 -6.238 -2.579 3.113 121 HD21 LEU 15 3HD2 LEU 15 -2.637 -2.392 3.438 122 HD22 LEU 15 1HD2 LEU 15 -3.579 -1.839 2.038 123 HD23 LEU 15 2HD2 LEU 15 -4.018 -3.334 2.887 124 H VAL 16 H VAL 16 -3.643 1.716 6.401 125 HA VAL 16 HA VAL 16 -2.764 4.018 5.004 126 HB VAL 16 HB VAL 16 -3.471 3.828 7.954 127 HG11 VAL 16 1HG1 VAL 16 -2.380 5.922 7.384 128 HG12 VAL 16 2HG1 VAL 16 -4.085 6.195 7.740 129 HG13 VAL 16 3HG1 VAL 16 -3.525 6.182 6.068 130 HG21 VAL 16 3HG2 VAL 16 -5.263 4.323 5.584 131 HG22 VAL 16 1HG2 VAL 16 -5.740 4.497 7.273 132 HG23 VAL 16 2HG2 VAL 16 -5.279 2.915 6.645 133 H ARG 17 H ARG 17 -1.478 2.265 7.769 134 HA ARG 17 HA ARG 17 0.745 3.806 8.394 135 HB2 ARG 17 2HB ARG 17 0.511 0.811 8.333 136 HB3 ARG 17 1HB ARG 17 1.842 1.644 9.090 137 HG2 ARG 17 2HG ARG 17 -1.044 1.720 9.896 138 HG3 ARG 17 1HG ARG 17 0.284 0.901 10.719 139 HD2 ARG 17 2HD ARG 17 1.343 3.121 11.070 140 HD3 ARG 17 1HD ARG 17 -0.111 3.870 10.397 141 HE ARG 17 HE ARG 17 -0.691 2.040 12.461 142 HH11 ARG 17 1HH1 ARG 17 0.218 5.390 11.841 143 HH12 ARG 17 2HH1 ARG 17 -0.144 5.963 13.392 144 HH21 ARG 17 1HH2 ARG 17 -1.220 2.765 14.613 145 HH22 ARG 17 2HH2 ARG 17 -1.006 4.396 15.039 146 H ALA 18 H ALA 18 0.576 1.147 6.152 147 HA ALA 18 HA ALA 18 3.191 1.348 5.142 148 HB1 ALA 18 1HB ALA 18 0.770 0.228 3.738 149 HB2 ALA 18 2HB ALA 18 1.803 -0.653 4.862 150 HB3 ALA 18 3HB ALA 18 2.453 -0.093 3.322 151 H GLN 19 H GLN 19 0.220 2.834 4.091 152 HA GLN 19 HA GLN 19 1.128 4.050 1.722 153 HB2 GLN 19 2HB GLN 19 -1.096 4.422 3.637 154 HB3 GLN 19 1HB GLN 19 -0.888 5.647 2.418 155 HG2 GLN 19 2HG GLN 19 -1.227 3.995 0.680 156 HG3 GLN 19 1HG GLN 19 -1.180 2.690 1.867 157 HE21 GLN 19 1HE2 GLN 19 -3.176 1.942 1.240 158 HE22 GLN 19 2HE2 GLN 19 -4.648 2.766 1.613 159 H ILE 20 H ILE 20 0.655 5.396 4.964 160 HA ILE 20 HA ILE 20 1.776 7.918 4.377 161 HB ILE 20 HB ILE 20 1.648 6.579 7.106 162 HG12 ILE 20 2HG1 ILE 20 -0.570 6.640 6.122 163 HG13 ILE 20 1HG1 ILE 20 -0.471 7.825 7.415 164 HG21 ILE 20 1HG2 ILE 20 3.126 8.515 7.103 165 HG22 ILE 20 2HG2 ILE 20 1.656 8.860 8.015 166 HG23 ILE 20 3HG2 ILE 20 1.853 9.503 6.384 167 HD11 ILE 20 3HD1 ILE 20 -1.703 8.722 5.551 168 HD12 ILE 20 1HD1 ILE 20 -0.359 8.376 4.454 169 HD13 ILE 20 2HD1 ILE 20 -0.172 9.583 5.724 170 H ALA 21 H ALA 21 3.208 4.937 5.571 171 HA ALA 21 HA ALA 21 5.788 6.003 6.044 172 HB1 ALA 21 1HB ALA 21 5.010 3.936 7.104 173 HB2 ALA 21 2HB ALA 21 6.527 3.702 6.233 174 HB3 ALA 21 3HB ALA 21 5.010 3.140 5.530 175 H ILE 22 H ILE 22 4.262 4.615 3.174 176 HA ILE 22 HA ILE 22 6.693 4.230 1.770 177 HB ILE 22 HB ILE 22 4.436 3.175 1.049 178 HG12 ILE 22 2HG1 ILE 22 6.080 4.651 -0.999 179 HG13 ILE 22 1HG1 ILE 22 6.401 3.046 -0.351 180 HG21 ILE 22 1HG2 ILE 22 3.960 5.867 -0.196 181 HG22 ILE 22 2HG2 ILE 22 3.034 5.156 1.124 182 HG23 ILE 22 3HG2 ILE 22 3.013 4.404 -0.472 183 HD11 ILE 22 3HD1 ILE 22 4.023 3.851 -1.967 184 HD12 ILE 22 1HD1 ILE 22 4.336 2.238 -1.358 185 HD13 ILE 22 2HD1 ILE 22 5.403 2.943 -2.583 186 H CYS 23 H CYS 23 4.504 6.926 2.058 187 HA CYS 23 HA CYS 23 5.930 8.564 0.173 188 HB2 CYS 23 2HB CYS 23 3.759 9.055 2.157 189 HB3 CYS 23 1HB CYS 23 4.445 10.330 1.167 190 H GLY 24 H GLY 24 5.974 8.003 3.513 191 HA2 GLY 24 2HA GLY 24 7.609 10.287 4.185 192 HA3 GLY 24 1HA GLY 24 7.216 8.953 5.258 193 H MET 25 H MET 25 8.248 7.147 2.987 194 HA MET 25 HA MET 25 11.065 7.683 3.268 195 HB2 MET 25 2HB MET 25 10.563 6.105 5.078 196 HB3 MET 25 1HB MET 25 9.807 5.007 3.934 197 HG2 MET 25 2HG MET 25 11.950 4.651 2.828 198 HG3 MET 25 1HG MET 25 12.724 5.786 3.926 199 HE1 MET 25 3HE MET 25 11.501 5.134 6.729 200 HE2 MET 25 1HE MET 25 13.237 5.286 6.469 201 HE3 MET 25 2HE MET 25 12.594 3.893 7.338 202 H SER 26 H SER 26 10.576 8.398 1.230 203 HA SER 26 HA SER 26 10.579 6.308 -0.829 204 HB2 SER 26 2HB SER 26 10.118 9.301 -1.037 205 HB3 SER 26 1HB SER 26 10.043 8.150 -2.372 206 HG SER 26 HG SER 26 8.437 7.428 -0.265 207 H THR 27 H THR 27 12.801 6.479 0.677 208 HA THR 27 HA THR 27 14.693 8.433 0.090 209 HB THR 27 HB THR 27 15.219 5.601 0.993 210 HG1 THR 27 1HG THR 27 14.266 7.906 2.361 211 HG21 THR 27 3HG2 THR 27 17.128 6.621 2.176 212 HG22 THR 27 1HG2 THR 27 16.686 8.203 1.533 213 HG23 THR 27 2HG2 THR 27 17.236 6.932 0.444 214 H TRP 28 H TRP 28 14.049 5.496 -1.271 215 HA TRP 28 HA TRP 28 16.126 5.939 -3.336 216 HB2 TRP 28 2HB TRP 28 14.654 3.316 -2.935 217 HB3 TRP 28 1HB TRP 28 16.084 3.602 -3.908 218 HD1 TRP 28 HD TRP 28 15.061 2.431 -0.605 219 HE1 TRP 28 1HE TRP 28 17.071 2.222 0.982 220 HE3 TRP 28 3HE TRP 28 18.500 4.996 -3.365 221 HZ2 TRP 28 2HZ TRP 28 19.784 3.046 1.045 222 HZ3 TRP 28 3HZ TRP 28 20.782 5.246 -2.475 223 HH2 TRP 28 HH TRP 28 21.407 4.291 -0.317 224 H SER 29 H SER 29 15.228 7.180 -4.812 225 HA SER 29 HA SER 29 12.788 6.244 -6.121 226 HB2 SER 29 2HB SER 29 13.479 9.116 -5.431 227 HB3 SER 29 1HB SER 29 12.125 8.621 -6.446 228 HG SER 29 HG SER 29 12.536 8.134 -3.684 229 HN1 NH2 30 HT1 SER 29 13.710 5.438 -7.880 230 HN2 NH2 30 HT2 SER 29 14.813 6.253 -8.937 231 HA PCA 1 HA PCA 1 -13.984 3.084 -5.710 232 HB2 PCA 1 2HB PCA 1 -14.992 0.968 -7.345 233 HB3 PCA 1 1HB PCA 1 -15.952 2.051 -6.298 234 HG2 PCA 1 2HG PCA 1 -15.822 2.018 -9.184 235 HG3 PCA 1 1HG PCA 1 -16.750 3.151 -8.144 236 H LEU 2 H LEU 2 -11.955 3.380 -7.704 237 HA LEU 2 HA LEU 2 -10.706 0.740 -7.964 238 HB2 LEU 2 2HB LEU 2 -9.556 3.441 -8.726 239 HB3 LEU 2 1HB LEU 2 -8.766 1.913 -9.006 240 HG LEU 2 HG LEU 2 -10.750 1.330 -10.507 241 HD11 LEU 2 1HD1 LEU 2 -11.965 3.202 -11.485 242 HD12 LEU 2 2HD1 LEU 2 -11.211 4.299 -10.328 243 HD13 LEU 2 3HD1 LEU 2 -12.304 3.037 -9.763 244 HD21 LEU 2 3HD2 LEU 2 -9.796 2.559 -12.398 245 HD22 LEU 2 1HD2 LEU 2 -8.548 1.860 -11.366 246 HD23 LEU 2 2HD2 LEU 2 -8.906 3.584 -11.274 247 H TYR 3 H TYR 3 -10.165 3.707 -6.257 248 HA TYR 3 HA TYR 3 -7.859 2.745 -4.888 249 HB2 TYR 3 2HB TYR 3 -9.640 5.094 -4.502 250 HB3 TYR 3 1HB TYR 3 -8.289 4.776 -3.427 251 HD1 TYR 3 1HD TYR 3 -6.034 4.183 -4.916 252 HD2 TYR 3 2HD TYR 3 -9.276 6.610 -6.194 253 HE1 TYR 3 1HE TYR 3 -4.576 5.255 -6.571 254 HE2 TYR 3 2HE TYR 3 -7.826 7.685 -7.855 255 HH TYR 3 HH TYR 3 -5.378 8.086 -8.140 256 H SER 4 H SER 4 -11.142 3.262 -3.972 257 HA SER 4 HA SER 4 -11.204 2.087 -1.461 258 HB2 SER 4 2HB SER 4 -13.186 3.156 -2.488 259 HB3 SER 4 1HB SER 4 -13.307 1.831 -3.641 260 HG SER 4 HG SER 4 -13.780 1.851 -0.874 261 H ALA 5 H ALA 5 -11.229 0.503 -4.655 262 HA ALA 5 HA ALA 5 -11.605 -2.133 -3.827 263 HB1 ALA 5 1HB ALA 5 -11.770 -1.416 -6.173 264 HB2 ALA 5 2HB ALA 5 -10.667 -2.781 -5.976 265 HB3 ALA 5 3HB ALA 5 -10.027 -1.154 -6.201 266 H LEU 6 H LEU 6 -8.710 -0.169 -4.089 267 HA LEU 6 HA LEU 6 -6.725 -2.071 -3.792 268 HB2 LEU 6 2HB LEU 6 -6.215 0.265 -4.276 269 HB3 LEU 6 1HB LEU 6 -6.806 0.752 -2.704 270 HG LEU 6 HG LEU 6 -4.928 -0.486 -1.648 271 HD11 LEU 6 1HD1 LEU 6 -4.038 -0.886 -4.484 272 HD12 LEU 6 2HD1 LEU 6 -4.525 -2.138 -3.336 273 HD13 LEU 6 3HD1 LEU 6 -3.058 -1.199 -3.056 274 HD21 LEU 6 3HD2 LEU 6 -4.693 1.922 -2.060 275 HD22 LEU 6 1HD2 LEU 6 -4.095 1.599 -3.683 276 HD23 LEU 6 2HD2 LEU 6 -3.142 1.126 -2.287 277 H ALA 7 H ALA 7 -8.644 -0.502 -1.283 278 HA ALA 7 HA ALA 7 -7.209 -1.538 0.918 279 HB1 ALA 7 1HB ALA 7 -8.685 0.416 1.102 280 HB2 ALA 7 2HB ALA 7 -9.124 -0.835 2.267 281 HB3 ALA 7 3HB ALA 7 -10.083 -0.617 0.803 282 H ASN 8 H ASN 8 -10.056 -2.625 -0.793 283 HA ASN 8 HA ASN 8 -10.558 -4.849 0.938 284 HB2 ASN 8 2HB ASN 8 -11.548 -4.424 -1.886 285 HB3 ASN 8 1HB ASN 8 -12.173 -5.595 -0.738 286 HD21 ASN 8 1HD2 ASN 8 -13.585 -3.557 -2.105 287 HD22 ASN 8 2HD2 ASN 8 -14.265 -2.517 -0.923 288 H LYS 9 H LYS 9 -9.041 -4.392 -2.176 289 HA LYS 9 HA LYS 9 -8.683 -7.089 -2.838 290 HB2 LYS 9 2HB LYS 9 -8.401 -4.904 -4.284 291 HB3 LYS 9 1HB LYS 9 -6.768 -4.938 -3.669 292 HG2 LYS 9 2HG LYS 9 -6.781 -5.977 -5.821 293 HG3 LYS 9 1HG LYS 9 -6.483 -7.215 -4.597 294 HD2 LYS 9 2HD LYS 9 -8.862 -7.856 -4.676 295 HD3 LYS 9 1HD LYS 9 -9.143 -6.623 -5.903 296 HE2 LYS 9 2HE LYS 9 -7.568 -7.775 -7.378 297 HE3 LYS 9 1HE LYS 9 -7.335 -9.017 -6.151 298 HZ1 LYS 9 3HZ LYS 9 -9.852 -8.414 -7.615 299 HZ2 LYS 9 1HZ LYS 9 -9.761 -9.470 -6.306 300 HZ3 LYS 9 2HZ LYS 9 -8.921 -9.813 -7.707 301 H CYS 10 H CYS 10 -6.631 -4.792 -1.140 302 HA CYS 10 HA CYS 10 -4.396 -6.531 -0.868 303 HB2 CYS 10 2HB CYS 10 -4.566 -3.934 -0.550 304 HB3 CYS 10 1HB CYS 10 -5.088 -4.359 1.062 305 H CYS 11 H CYS 11 -7.284 -5.923 1.043 306 HA CYS 11 HA CYS 11 -6.330 -7.374 3.282 307 HB2 CYS 11 2HB CYS 11 -8.146 -5.538 3.173 308 HB3 CYS 11 1HB CYS 11 -9.220 -6.834 2.670 309 H HIS 12 H HIS 12 -8.141 -8.173 0.381 310 HA HIS 12 HA HIS 12 -8.780 -10.819 1.331 311 HB2 HIS 12 2HB HIS 12 -9.239 -9.408 -1.272 312 HB3 HIS 12 1HB HIS 12 -9.497 -11.138 -1.126 313 HD1 HIS 12 1HD HIS 12 -11.902 -11.702 -0.589 314 HD2 HIS 12 2HD HIS 12 -10.779 -7.970 0.842 315 HE1 HIS 12 1HE HIS 12 -13.960 -10.711 0.450 316 H VAL 13 H VAL 13 -6.728 -9.558 -1.262 317 HA VAL 13 HA VAL 13 -5.340 -12.131 -1.148 318 HB VAL 13 HB VAL 13 -4.724 -11.806 -3.533 319 HG11 VAL 13 1HG1 VAL 13 -6.550 -13.307 -2.905 320 HG12 VAL 13 2HG1 VAL 13 -6.982 -12.478 -4.407 321 HG13 VAL 13 3HG1 VAL 13 -7.672 -11.950 -2.873 322 HG21 VAL 13 3HG2 VAL 13 -6.827 -9.637 -3.486 323 HG22 VAL 13 1HG2 VAL 13 -6.099 -10.317 -4.942 324 HG23 VAL 13 2HG2 VAL 13 -5.104 -9.419 -3.796 325 H GLY 14 H GLY 14 -4.853 -8.779 -1.989 326 HA2 GLY 14 2HA GLY 14 -2.961 -8.011 -0.345 327 HA3 GLY 14 1HA GLY 14 -1.997 -8.966 -1.431 328 H CYS 15 H CYS 15 -1.299 -6.500 -1.321 329 HA CYS 15 HA CYS 15 -2.250 -5.339 -3.821 330 HB2 CYS 15 2HB CYS 15 -2.275 -3.137 -2.794 331 HB3 CYS 15 1HB CYS 15 -3.497 -4.202 -2.122 332 H THR 16 H THR 16 -0.726 -3.649 -4.548 333 HA THR 16 HA THR 16 1.919 -4.426 -3.725 334 HB THR 16 HB THR 16 2.641 -3.282 -5.857 335 HG1 THR 16 1HG THR 16 0.112 -3.706 -6.881 336 HG21 THR 16 3HG2 THR 16 0.827 -5.684 -6.060 337 HG22 THR 16 1HG2 THR 16 2.545 -5.708 -5.669 338 HG23 THR 16 2HG2 THR 16 2.015 -5.200 -7.272 339 H LYS 17 H LYS 17 3.473 -2.951 -3.493 340 HA LYS 17 HA LYS 17 2.756 -0.754 -1.816 341 HB2 LYS 17 2HB LYS 17 4.889 -2.233 -1.778 342 HB3 LYS 17 1HB LYS 17 5.533 -1.231 -3.041 343 HG2 LYS 17 2HG LYS 17 6.386 -0.693 -0.902 344 HG3 LYS 17 1HG LYS 17 5.538 0.696 -1.592 345 HD2 LYS 17 2HD LYS 17 4.970 0.564 0.742 346 HD3 LYS 17 1HD LYS 17 3.556 0.030 -0.146 347 HE2 LYS 17 2HE LYS 17 3.845 -1.458 1.713 348 HE3 LYS 17 1HE LYS 17 4.306 -2.350 0.270 349 HZ1 LYS 17 3HZ LYS 17 6.123 -1.163 2.310 350 HZ2 LYS 17 1HZ LYS 17 6.666 -1.790 0.843 351 HZ3 LYS 17 2HZ LYS 17 5.923 -2.794 1.918 352 H ARG 18 H ARG 18 3.939 -0.883 -5.117 353 HA ARG 18 HA ARG 18 3.914 1.805 -5.841 354 HB2 ARG 18 2HB ARG 18 3.139 0.925 -8.084 355 HB3 ARG 18 1HB ARG 18 4.688 0.292 -7.496 356 HG2 ARG 18 2HG ARG 18 3.435 -1.705 -6.745 357 HG3 ARG 18 1HG ARG 18 1.990 -1.047 -7.514 358 HD2 ARG 18 2HD ARG 18 4.593 -1.693 -8.895 359 HD3 ARG 18 1HD ARG 18 3.154 -2.709 -8.895 360 HE ARG 18 HE ARG 18 2.169 -0.479 -9.866 361 HH11 ARG 18 1HH1 ARG 18 5.268 -2.031 -10.677 362 HH12 ARG 18 2HH1 ARG 18 5.182 -1.651 -12.336 363 HH21 ARG 18 1HH2 ARG 18 2.060 0.029 -12.170 364 HH22 ARG 18 2HH2 ARG 18 3.331 -0.423 -13.196 365 H SER 19 H SER 19 1.353 -0.355 -5.492 366 HA SER 19 HA SER 19 -0.670 1.226 -6.706 367 HB2 SER 19 2HB SER 19 -0.660 -1.252 -6.566 368 HB3 SER 19 1HB SER 19 -0.990 -1.143 -4.852 369 HG SER 19 HG SER 19 -2.855 -1.439 -6.016 370 H LEU 20 H LEU 20 0.390 0.680 -3.358 371 HA LEU 20 HA LEU 20 -1.652 2.478 -2.287 372 HB2 LEU 20 2HB LEU 20 0.841 2.152 -0.699 373 HB3 LEU 20 1HB LEU 20 -0.812 2.172 -0.251 374 HG LEU 20 HG LEU 20 0.282 -0.252 -1.579 375 HD11 LEU 20 1HD1 LEU 20 1.616 0.252 0.449 376 HD12 LEU 20 2HD1 LEU 20 0.616 -1.183 0.644 377 HD13 LEU 20 3HD1 LEU 20 0.122 0.342 1.385 378 HD21 LEU 20 3HD2 LEU 20 -2.119 0.345 0.132 379 HD22 LEU 20 1HD2 LEU 20 -1.548 -1.280 -0.285 380 HD23 LEU 20 2HD2 LEU 20 -2.035 -0.196 -1.562 381 H ALA 21 H ALA 21 1.466 2.694 -3.546 382 HA ALA 21 HA ALA 21 2.210 5.276 -2.693 383 HB1 ALA 21 1HB ALA 21 3.731 3.752 -3.947 384 HB2 ALA 21 2HB ALA 21 3.709 5.392 -4.586 385 HB3 ALA 21 3HB ALA 21 2.819 4.113 -5.409 386 H ARG 22 H ARG 22 0.228 4.288 -5.410 387 HA ARG 22 HA ARG 22 -0.105 6.991 -6.326 388 HB2 ARG 22 2HB ARG 22 -1.618 6.084 -8.025 389 HB3 ARG 22 1HB ARG 22 -0.126 5.167 -7.944 390 HG2 ARG 22 2HG ARG 22 -1.377 3.509 -6.515 391 HG3 ARG 22 1HG ARG 22 -2.846 4.370 -6.965 392 HD2 ARG 22 2HD ARG 22 -0.888 3.060 -8.840 393 HD3 ARG 22 1HD ARG 22 -2.480 2.454 -8.414 394 HE ARG 22 HE ARG 22 -3.315 4.590 -9.475 395 HH11 ARG 22 1HH1 ARG 22 -0.240 3.150 -10.512 396 HH12 ARG 22 2HH1 ARG 22 -0.451 3.561 -12.151 397 HH21 ARG 22 1HH2 ARG 22 -3.565 5.168 -11.734 398 HH22 ARG 22 2HH2 ARG 22 -2.361 4.704 -12.867 399 H PHE 23 H PHE 23 -1.288 5.611 -3.703 400 HA PHE 23 HA PHE 23 -3.770 7.198 -3.779 401 HB2 PHE 23 2HB PHE 23 -3.965 4.684 -3.325 402 HB3 PHE 23 1HB PHE 23 -3.107 4.967 -1.856 403 HD1 PHE 23 1HD PHE 23 -5.957 6.728 -3.508 404 HD2 PHE 23 2HD PHE 23 -4.419 4.899 0.007 405 HE1 PHE 23 1HE PHE 23 -8.034 7.278 -2.319 406 HE2 PHE 23 2HE PHE 23 -6.496 5.447 1.198 407 HZ PHE 23 HZ PHE 23 -8.304 6.636 0.038 408 H CYS 24 H CYS 24 -1.638 5.889 -1.457 409 HA CYS 24 HA CYS 24 -0.455 6.642 0.326 410 HB2 CYS 24 2HB CYS 24 0.704 7.994 -1.404 411 HB3 CYS 24 1HB CYS 24 -0.425 9.307 -1.108 412 HN1 NH2 25 HT1 CYS 24 -2.288 9.626 -0.251 413 HN2 NH2 25 HT2 CYS 24 -3.049 9.633 1.302 Start of MODEL 20 1 H1 ASP 1 1HT ASP 1 14.032 4.373 -2.492 2 H2 ASP 1 2HT ASP 1 14.762 3.460 -3.670 3 H3 ASP 1 3HT ASP 1 14.045 2.698 -2.350 4 HA ASP 1 HA ASP 1 11.864 3.619 -3.088 5 HB2 ASP 1 2HB ASP 1 11.708 4.489 -5.283 6 HB3 ASP 1 1HB ASP 1 12.779 5.552 -4.335 7 H SER 2 H SER 2 14.393 1.811 -4.604 8 HA SER 2 HA SER 2 12.978 0.336 -6.467 9 HB2 SER 2 2HB SER 2 15.252 -0.755 -4.822 10 HB3 SER 2 1HB SER 2 14.838 -1.150 -6.492 11 HG SER 2 HG SER 2 15.336 1.005 -7.058 12 H TRP 3 H TRP 3 12.786 0.175 -3.276 13 HA TRP 3 HA TRP 3 11.818 -2.508 -2.865 14 HB2 TRP 3 2HB TRP 3 11.155 -1.663 -0.562 15 HB3 TRP 3 1HB TRP 3 12.864 -1.547 -0.952 16 HD1 TRP 3 HD TRP 3 13.950 0.782 -0.666 17 HE1 TRP 3 1HE TRP 3 13.093 3.156 -0.151 18 HE3 TRP 3 3HE TRP 3 8.923 -0.062 -0.997 19 HZ2 TRP 3 2HZ TRP 3 10.622 4.485 0.089 20 HZ3 TRP 3 3HZ TRP 3 7.403 1.746 -0.634 21 HH2 TRP 3 HH TRP 3 8.218 4.029 -0.085 22 H MET 4 H MET 4 10.403 0.216 -4.201 23 HA MET 4 HA MET 4 7.795 0.114 -3.134 24 HB2 MET 4 2HB MET 4 8.763 1.173 -5.773 25 HB3 MET 4 1HB MET 4 7.103 1.309 -5.221 26 HG2 MET 4 2HG MET 4 7.861 2.618 -3.298 27 HG3 MET 4 1HG MET 4 9.520 2.487 -3.877 28 HE1 MET 4 3HE MET 4 8.955 2.776 -7.139 29 HE2 MET 4 1HE MET 4 10.326 3.448 -6.253 30 HE3 MET 4 2HE MET 4 9.334 4.488 -7.271 31 H GLU 5 H GLU 5 9.349 -1.751 -5.578 32 HA GLU 5 HA GLU 5 6.836 -2.927 -6.297 33 HB2 GLU 5 2HB GLU 5 9.638 -3.789 -6.994 34 HB3 GLU 5 1HB GLU 5 8.185 -4.615 -7.540 35 HG2 GLU 5 2HG GLU 5 7.487 -2.361 -8.492 36 HG3 GLU 5 1HG GLU 5 9.165 -1.887 -8.245 37 H GLU 6 H GLU 6 6.054 -3.468 -4.452 38 HA GLU 6 HA GLU 6 7.045 -5.908 -3.250 39 HB2 GLU 6 2HB GLU 6 7.818 -3.797 -1.939 40 HB3 GLU 6 1HB GLU 6 6.106 -3.546 -1.677 41 HG2 GLU 6 2HG GLU 6 5.862 -5.532 -0.427 42 HG3 GLU 6 1HG GLU 6 7.504 -6.033 -0.819 43 H VAL 7 H VAL 7 5.352 -6.792 -2.022 44 HA VAL 7 HA VAL 7 2.681 -5.881 -2.571 45 HB VAL 7 HB VAL 7 3.112 -7.347 -4.496 46 HG11 VAL 7 1HG1 VAL 7 3.719 -9.528 -2.514 47 HG12 VAL 7 2HG1 VAL 7 4.856 -8.769 -3.628 48 HG13 VAL 7 3HG1 VAL 7 3.530 -9.750 -4.253 49 HG21 VAL 7 3HG2 VAL 7 0.856 -7.312 -3.593 50 HG22 VAL 7 1HG2 VAL 7 1.248 -8.645 -2.509 51 HG23 VAL 7 2HG2 VAL 7 1.239 -8.897 -4.258 52 H ILE 8 H ILE 8 1.569 -5.989 -0.831 53 HA ILE 8 HA ILE 8 2.378 -7.859 1.278 54 HB ILE 8 HB ILE 8 1.880 -6.100 2.952 55 HG12 ILE 8 2HG1 ILE 8 1.655 -4.354 0.505 56 HG13 ILE 8 1HG1 ILE 8 0.391 -4.705 1.660 57 HG21 ILE 8 1HG2 ILE 8 4.188 -6.516 2.341 58 HG22 ILE 8 2HG2 ILE 8 3.945 -4.797 2.658 59 HG23 ILE 8 3HG2 ILE 8 4.060 -5.379 0.998 60 HD11 ILE 8 3HD1 ILE 8 2.874 -3.097 2.213 61 HD12 ILE 8 1HD1 ILE 8 1.621 -3.477 3.392 62 HD13 ILE 8 2HD1 ILE 8 1.243 -2.464 2.000 63 H LYS 9 H LYS 9 0.614 -7.816 2.990 64 HA LYS 9 HA LYS 9 -2.021 -7.600 1.764 65 HB2 LYS 9 2HB LYS 9 -1.298 -9.967 1.607 66 HB3 LYS 9 1HB LYS 9 -1.026 -9.989 3.342 67 HG2 LYS 9 2HG LYS 9 -3.420 -9.584 3.708 68 HG3 LYS 9 1HG LYS 9 -3.676 -9.608 1.963 69 HD2 LYS 9 2HD LYS 9 -2.824 -11.911 1.889 70 HD3 LYS 9 1HD LYS 9 -2.618 -11.877 3.640 71 HE2 LYS 9 2HE LYS 9 -5.216 -11.563 2.152 72 HE3 LYS 9 1HE LYS 9 -4.697 -13.003 3.013 73 HZ1 LYS 9 3HZ LYS 9 -5.348 -10.355 4.188 74 HZ2 LYS 9 1HZ LYS 9 -4.695 -11.637 5.080 75 HZ3 LYS 9 2HZ LYS 9 -6.199 -11.773 4.350 76 H LEU 10 H LEU 10 -2.482 -5.825 2.979 77 HA LEU 10 HA LEU 10 -2.554 -6.146 5.912 78 HB2 LEU 10 2HB LEU 10 -1.614 -3.816 4.283 79 HB3 LEU 10 1HB LEU 10 -2.384 -3.542 5.814 80 HG LEU 10 HG LEU 10 -0.686 -4.741 6.983 81 HD11 LEU 10 1HD1 LEU 10 -0.023 -6.393 5.296 82 HD12 LEU 10 2HD1 LEU 10 1.401 -5.487 5.825 83 HD13 LEU 10 3HD1 LEU 10 0.628 -5.111 4.282 84 HD21 LEU 10 3HD2 LEU 10 0.559 -2.790 5.082 85 HD22 LEU 10 1HD2 LEU 10 1.171 -3.220 6.670 86 HD23 LEU 10 2HD2 LEU 10 -0.361 -2.347 6.509 87 H CYS 11 H CYS 11 -3.964 -4.361 6.793 88 HA CYS 11 HA CYS 11 -6.294 -3.909 5.074 89 HB2 CYS 11 2HB CYS 11 -6.635 -5.157 7.773 90 HB3 CYS 11 1HB CYS 11 -7.881 -4.781 6.609 91 H GLY 12 H GLY 12 -7.735 -2.389 5.894 92 HA2 GLY 12 2HA GLY 12 -8.345 -0.358 6.861 93 HA3 GLY 12 1HA GLY 12 -7.956 -1.213 8.319 94 H ARG 13 H ARG 13 -6.726 -0.310 9.513 95 HA ARG 13 HA ARG 13 -5.464 2.170 8.966 96 HB2 ARG 13 2HB ARG 13 -5.371 0.369 11.374 97 HB3 ARG 13 1HB ARG 13 -4.690 1.991 11.325 98 HG2 ARG 13 2HG ARG 13 -6.846 2.969 11.001 99 HG3 ARG 13 1HG ARG 13 -7.592 1.385 10.784 100 HD2 ARG 13 2HD ARG 13 -7.996 2.356 13.017 101 HD3 ARG 13 1HD ARG 13 -7.140 0.819 13.085 102 HE ARG 13 HE ARG 13 -5.750 3.397 13.254 103 HH11 ARG 13 1HH1 ARG 13 -6.377 0.159 14.582 104 HH12 ARG 13 2HH1 ARG 13 -5.155 0.240 15.747 105 HH21 ARG 13 1HH2 ARG 13 -4.116 3.524 14.848 106 HH22 ARG 13 2HH2 ARG 13 -3.840 2.239 15.927 107 H GLU 14 H GLU 14 -4.319 -1.139 8.991 108 HA GLU 14 HA GLU 14 -1.543 -0.487 9.097 109 HB2 GLU 14 2HB GLU 14 -3.085 -2.922 8.206 110 HB3 GLU 14 1HB GLU 14 -1.335 -2.836 8.127 111 HG2 GLU 14 2HG GLU 14 -2.996 -2.587 10.618 112 HG3 GLU 14 1HG GLU 14 -2.090 -4.016 10.109 113 H LEU 15 H LEU 15 -3.958 -0.827 6.627 114 HA LEU 15 HA LEU 15 -2.282 -0.658 4.345 115 HB2 LEU 15 2HB LEU 15 -5.083 0.392 4.749 116 HB3 LEU 15 1HB LEU 15 -4.275 0.312 3.198 117 HG LEU 15 HG LEU 15 -4.847 -2.098 4.897 118 HD11 LEU 15 1HD1 LEU 15 -6.658 -2.540 3.328 119 HD12 LEU 15 2HD1 LEU 15 -6.415 -0.940 2.596 120 HD13 LEU 15 3HD1 LEU 15 -6.930 -1.091 4.281 121 HD21 LEU 15 3HD2 LEU 15 -4.104 -1.808 1.999 122 HD22 LEU 15 1HD2 LEU 15 -4.438 -3.298 2.883 123 HD23 LEU 15 2HD2 LEU 15 -3.024 -2.333 3.303 124 H VAL 16 H VAL 16 -3.797 1.751 6.374 125 HA VAL 16 HA VAL 16 -2.840 4.043 4.983 126 HB VAL 16 HB VAL 16 -3.443 3.839 7.949 127 HG11 VAL 16 1HG1 VAL 16 -2.271 5.876 7.339 128 HG12 VAL 16 2HG1 VAL 16 -3.941 6.233 7.776 129 HG13 VAL 16 3HG1 VAL 16 -3.461 6.205 6.080 130 HG21 VAL 16 3HG2 VAL 16 -5.718 4.609 7.383 131 HG22 VAL 16 1HG2 VAL 16 -5.353 3.025 6.698 132 HG23 VAL 16 2HG2 VAL 16 -5.318 4.454 5.672 133 H ARG 17 H ARG 17 -1.548 2.158 7.666 134 HA ARG 17 HA ARG 17 0.751 3.668 8.137 135 HB2 ARG 17 2HB ARG 17 0.254 0.727 8.464 136 HB3 ARG 17 1HB ARG 17 1.742 1.463 8.999 137 HG2 ARG 17 2HG ARG 17 0.398 2.944 10.480 138 HG3 ARG 17 1HG ARG 17 -1.035 2.042 9.984 139 HD2 ARG 17 2HD ARG 17 -0.207 1.180 12.087 140 HD3 ARG 17 1HD ARG 17 -0.008 -0.022 10.819 141 HE ARG 17 HE ARG 17 2.316 1.579 11.185 142 HH11 ARG 17 1HH1 ARG 17 0.606 -1.317 12.304 143 HH12 ARG 17 2HH1 ARG 17 1.923 -1.961 13.168 144 HH21 ARG 17 1HH2 ARG 17 4.175 0.670 12.355 145 HH22 ARG 17 2HH2 ARG 17 4.011 -0.807 13.183 146 H ALA 18 H ALA 18 0.224 1.074 5.889 147 HA ALA 18 HA ALA 18 2.872 0.973 4.849 148 HB1 ALA 18 1HB ALA 18 0.283 0.136 3.550 149 HB2 ALA 18 2HB ALA 18 1.308 -0.873 4.571 150 HB3 ALA 18 3HB ALA 18 1.897 -0.316 3.003 151 H GLN 19 H GLN 19 0.009 2.727 3.958 152 HA GLN 19 HA GLN 19 0.922 3.965 1.621 153 HB2 GLN 19 2HB GLN 19 -1.096 4.555 3.698 154 HB3 GLN 19 1HB GLN 19 -0.888 5.746 2.458 155 HG2 GLN 19 2HG GLN 19 -1.373 3.997 0.794 156 HG3 GLN 19 1HG GLN 19 -1.592 2.819 2.098 157 HE21 GLN 19 1HE2 GLN 19 -3.430 3.483 0.077 158 HE22 GLN 19 2HE2 GLN 19 -4.820 4.168 0.838 159 H ILE 20 H ILE 20 0.732 5.197 4.911 160 HA ILE 20 HA ILE 20 2.230 7.536 4.628 161 HB ILE 20 HB ILE 20 2.067 5.686 7.033 162 HG12 ILE 20 2HG1 ILE 20 -0.112 6.529 6.384 163 HG13 ILE 20 1HG1 ILE 20 0.389 7.290 7.886 164 HG21 ILE 20 1HG2 ILE 20 2.751 7.580 8.427 165 HG22 ILE 20 2HG2 ILE 20 3.032 8.535 6.973 166 HG23 ILE 20 3HG2 ILE 20 4.012 7.101 7.290 167 HD11 ILE 20 3HD1 ILE 20 -0.687 8.888 6.427 168 HD12 ILE 20 1HD1 ILE 20 0.466 8.538 5.139 169 HD13 ILE 20 2HD1 ILE 20 1.015 9.308 6.628 170 H ALA 21 H ALA 21 3.313 4.249 5.162 171 HA ALA 21 HA ALA 21 6.047 4.710 5.531 172 HB1 ALA 21 1HB ALA 21 4.950 2.581 6.042 173 HB2 ALA 21 2HB ALA 21 6.354 2.357 4.992 174 HB3 ALA 21 3HB ALA 21 4.729 2.294 4.319 175 H ILE 22 H ILE 22 4.136 4.501 2.607 176 HA ILE 22 HA ILE 22 6.496 4.285 0.970 177 HB ILE 22 HB ILE 22 4.117 3.244 0.510 178 HG12 ILE 22 2HG1 ILE 22 6.019 3.017 -1.001 179 HG13 ILE 22 1HG1 ILE 22 4.490 3.124 -1.867 180 HG21 ILE 22 1HG2 ILE 22 2.866 5.308 0.650 181 HG22 ILE 22 2HG2 ILE 22 2.614 4.414 -0.831 182 HG23 ILE 22 3HG2 ILE 22 3.636 5.867 -0.845 183 HD11 ILE 22 3HD1 ILE 22 6.261 4.311 -3.035 184 HD12 ILE 22 1HD1 ILE 22 6.591 5.276 -1.594 185 HD13 ILE 22 2HD1 ILE 22 5.058 5.458 -2.444 186 H CYS 23 H CYS 23 4.333 6.727 2.058 187 HA CYS 23 HA CYS 23 5.268 8.751 0.258 188 HB2 CYS 23 2HB CYS 23 3.533 8.746 2.655 189 HB3 CYS 23 1HB CYS 23 4.272 10.266 2.170 190 H GLY 24 H GLY 24 6.359 7.579 3.294 191 HA2 GLY 24 2HA GLY 24 8.410 9.642 3.336 192 HA3 GLY 24 1HA GLY 24 8.151 8.405 4.578 193 H MET 25 H MET 25 9.006 6.536 4.391 194 HA MET 25 HA MET 25 9.890 5.151 2.150 195 HB2 MET 25 2HB MET 25 12.342 5.339 2.205 196 HB3 MET 25 1HB MET 25 11.607 6.888 1.844 197 HG2 MET 25 2HG MET 25 12.014 7.616 4.146 198 HG3 MET 25 1HG MET 25 12.733 6.047 4.514 199 HE1 MET 25 3HE MET 25 14.924 7.233 5.412 200 HE2 MET 25 1HE MET 25 14.215 8.810 5.064 201 HE3 MET 25 2HE MET 25 15.842 8.428 4.497 202 H SER 26 H SER 26 8.612 4.739 4.594 203 HA SER 26 HA SER 26 10.393 3.757 6.577 204 HB2 SER 26 2HB SER 26 7.445 3.300 6.535 205 HB3 SER 26 1HB SER 26 8.506 3.638 7.907 206 HG SER 26 HG SER 26 7.757 5.600 7.593 207 H THR 27 H THR 27 9.602 2.427 3.857 208 HA THR 27 HA THR 27 9.323 -0.338 4.762 209 HB THR 27 HB THR 27 9.712 0.738 1.964 210 HG1 THR 27 1HG THR 27 7.484 0.516 3.614 211 HG21 THR 27 3HG2 THR 27 8.742 -1.413 1.210 212 HG22 THR 27 1HG2 THR 27 8.646 -1.946 2.888 213 HG23 THR 27 2HG2 THR 27 10.219 -1.664 2.143 214 H TRP 28 H TRP 28 11.538 1.895 4.098 215 HA TRP 28 HA TRP 28 13.808 0.062 3.703 216 HB2 TRP 28 2HB TRP 28 13.289 1.601 1.818 217 HB3 TRP 28 1HB TRP 28 13.469 2.959 2.910 218 HD1 TRP 28 HD TRP 28 15.519 0.272 1.111 219 HE1 TRP 28 1HE TRP 28 17.949 1.102 0.936 220 HE3 TRP 28 3HE TRP 28 15.143 4.488 3.959 221 HZ2 TRP 28 2HZ TRP 28 19.498 3.253 1.885 222 HZ3 TRP 28 3HZ TRP 28 17.137 5.880 4.272 223 HH2 TRP 28 HH TRP 28 19.273 5.275 3.255 224 H SER 29 H SER 29 15.387 0.207 5.233 225 HA SER 29 HA SER 29 15.001 2.161 7.359 226 HB2 SER 29 2HB SER 29 16.542 -0.449 7.414 227 HB3 SER 29 1HB SER 29 16.275 0.624 8.789 228 HG SER 29 HG SER 29 14.448 -0.965 7.375 229 HN1 NH2 30 HT1 SER 29 16.252 3.854 7.156 230 HN2 NH2 30 HT2 SER 29 17.848 3.910 6.489 231 HA PCA 1 HA PCA 1 -13.079 3.992 -7.807 232 HB2 PCA 1 2HB PCA 1 -12.840 3.673 -4.970 233 HB3 PCA 1 1HB PCA 1 -13.497 5.085 -5.838 234 HG2 PCA 1 2HG PCA 1 -14.944 3.191 -4.261 235 HG3 PCA 1 1HG PCA 1 -15.646 4.474 -5.310 236 H LEU 2 H LEU 2 -11.140 3.277 -8.240 237 HA LEU 2 HA LEU 2 -10.362 0.586 -7.726 238 HB2 LEU 2 2HB LEU 2 -8.719 2.888 -8.784 239 HB3 LEU 2 1HB LEU 2 -8.124 1.256 -8.647 240 HG LEU 2 HG LEU 2 -8.631 1.589 -10.905 241 HD11 LEU 2 1HD1 LEU 2 -10.366 -0.018 -11.410 242 HD12 LEU 2 2HD1 LEU 2 -10.912 0.043 -9.736 243 HD13 LEU 2 3HD1 LEU 2 -9.298 -0.563 -10.115 244 HD21 LEU 2 3HD2 LEU 2 -10.824 2.345 -11.749 245 HD22 LEU 2 1HD2 LEU 2 -10.011 3.569 -10.772 246 HD23 LEU 2 2HD2 LEU 2 -11.334 2.636 -10.083 247 H TYR 3 H TYR 3 -9.784 3.585 -6.165 248 HA TYR 3 HA TYR 3 -7.574 2.757 -4.583 249 HB2 TYR 3 2HB TYR 3 -9.591 4.929 -4.225 250 HB3 TYR 3 1HB TYR 3 -8.185 4.744 -3.193 251 HD1 TYR 3 1HD TYR 3 -6.038 4.177 -5.121 252 HD2 TYR 3 2HD TYR 3 -9.342 6.836 -5.473 253 HE1 TYR 3 1HE TYR 3 -4.772 5.525 -6.730 254 HE2 TYR 3 2HE TYR 3 -8.087 8.190 -7.085 255 HH TYR 3 HH TYR 3 -5.252 7.127 -8.579 256 H SER 4 H SER 4 -10.971 3.192 -3.804 257 HA SER 4 HA SER 4 -11.008 1.967 -1.315 258 HB2 SER 4 2HB SER 4 -13.200 1.805 -3.391 259 HB3 SER 4 1HB SER 4 -13.384 1.792 -1.634 260 HG SER 4 HG SER 4 -12.356 3.943 -1.725 261 H ALA 5 H ALA 5 -11.243 0.547 -4.566 262 HA ALA 5 HA ALA 5 -11.704 -2.141 -3.834 263 HB1 ALA 5 1HB ALA 5 -10.979 -2.695 -6.082 264 HB2 ALA 5 2HB ALA 5 -10.252 -1.101 -6.265 265 HB3 ALA 5 3HB ALA 5 -12.003 -1.258 -6.132 266 H LEU 6 H LEU 6 -8.772 -0.249 -4.166 267 HA LEU 6 HA LEU 6 -6.828 -2.223 -3.996 268 HB2 LEU 6 2HB LEU 6 -6.215 0.031 -4.523 269 HB3 LEU 6 1HB LEU 6 -6.898 0.636 -3.033 270 HG LEU 6 HG LEU 6 -5.089 -0.555 -1.795 271 HD11 LEU 6 1HD1 LEU 6 -3.979 -0.999 -4.540 272 HD12 LEU 6 2HD1 LEU 6 -4.524 -2.239 -3.406 273 HD13 LEU 6 3HD1 LEU 6 -3.112 -1.247 -3.027 274 HD21 LEU 6 3HD2 LEU 6 -4.190 1.484 -3.828 275 HD22 LEU 6 1HD2 LEU 6 -3.332 1.068 -2.347 276 HD23 LEU 6 2HD2 LEU 6 -4.917 1.827 -2.258 277 H ALA 7 H ALA 7 -8.499 -0.473 -1.423 278 HA ALA 7 HA ALA 7 -7.112 -1.560 0.753 279 HB1 ALA 7 1HB ALA 7 -9.976 -0.605 0.648 280 HB2 ALA 7 2HB ALA 7 -8.564 0.409 0.943 281 HB3 ALA 7 3HB ALA 7 -9.021 -0.829 2.113 282 H ASN 8 H ASN 8 -10.173 -2.508 -0.686 283 HA ASN 8 HA ASN 8 -10.683 -4.789 0.863 284 HB2 ASN 8 2HB ASN 8 -12.417 -3.797 -0.522 285 HB3 ASN 8 1HB ASN 8 -11.496 -4.135 -1.979 286 HD21 ASN 8 1HD2 ASN 8 -11.629 -6.151 -2.896 287 HD22 ASN 8 2HD2 ASN 8 -12.685 -7.379 -2.344 288 H LYS 9 H LYS 9 -8.998 -4.417 -2.188 289 HA LYS 9 HA LYS 9 -8.485 -7.128 -2.741 290 HB2 LYS 9 2HB LYS 9 -8.253 -5.224 -4.395 291 HB3 LYS 9 1HB LYS 9 -6.864 -4.707 -3.491 292 HG2 LYS 9 2HG LYS 9 -5.669 -6.739 -4.026 293 HG3 LYS 9 1HG LYS 9 -7.066 -7.337 -4.924 294 HD2 LYS 9 2HD LYS 9 -6.901 -5.449 -6.458 295 HD3 LYS 9 1HD LYS 9 -5.530 -4.818 -5.547 296 HE2 LYS 9 2HE LYS 9 -5.594 -7.497 -6.931 297 HE3 LYS 9 1HE LYS 9 -4.856 -6.040 -7.591 298 HZ1 LYS 9 3HZ LYS 9 -3.257 -6.027 -5.873 299 HZ2 LYS 9 1HZ LYS 9 -3.280 -7.564 -6.490 300 HZ3 LYS 9 2HZ LYS 9 -3.989 -7.245 -4.990 301 H CYS 10 H CYS 10 -6.527 -4.718 -1.088 302 HA CYS 10 HA CYS 10 -4.268 -6.420 -0.781 303 HB2 CYS 10 2HB CYS 10 -4.445 -3.829 -0.633 304 HB3 CYS 10 1HB CYS 10 -4.944 -4.130 1.016 305 H CYS 11 H CYS 11 -7.133 -5.799 1.130 306 HA CYS 11 HA CYS 11 -6.115 -7.151 3.405 307 HB2 CYS 11 2HB CYS 11 -7.903 -5.389 3.441 308 HB3 CYS 11 1HB CYS 11 -8.998 -6.570 2.742 309 H HIS 12 H HIS 12 -8.075 -8.043 0.602 310 HA HIS 12 HA HIS 12 -8.683 -10.636 1.672 311 HB2 HIS 12 2HB HIS 12 -9.146 -9.335 -0.988 312 HB3 HIS 12 1HB HIS 12 -9.419 -11.056 -0.779 313 HD1 HIS 12 1HD HIS 12 -11.989 -11.171 -0.786 314 HD2 HIS 12 2HD HIS 12 -10.482 -8.198 1.675 315 HE1 HIS 12 1HE HIS 12 -13.972 -10.220 0.429 316 H VAL 13 H VAL 13 -6.625 -9.464 -0.903 317 HA VAL 13 HA VAL 13 -5.189 -12.001 -0.705 318 HB VAL 13 HB VAL 13 -4.646 -11.782 -3.133 319 HG11 VAL 13 1HG1 VAL 13 -6.829 -12.729 -3.830 320 HG12 VAL 13 2HG1 VAL 13 -7.553 -12.065 -2.360 321 HG13 VAL 13 3HG1 VAL 13 -6.347 -13.343 -2.243 322 HG21 VAL 13 3HG2 VAL 13 -6.199 -10.478 -4.554 323 HG22 VAL 13 1HG2 VAL 13 -5.234 -9.442 -3.503 324 HG23 VAL 13 2HG2 VAL 13 -6.916 -9.782 -3.101 325 H GLY 14 H GLY 14 -4.776 -8.682 -1.787 326 HA2 GLY 14 2HA GLY 14 -2.772 -7.848 -0.279 327 HA3 GLY 14 1HA GLY 14 -1.897 -8.891 -1.360 328 H CYS 15 H CYS 15 -1.168 -6.383 -1.317 329 HA CYS 15 HA CYS 15 -2.115 -5.331 -3.862 330 HB2 CYS 15 2HB CYS 15 -2.165 -3.100 -2.948 331 HB3 CYS 15 1HB CYS 15 -3.378 -4.142 -2.230 332 H THR 16 H THR 16 -0.625 -3.754 -4.749 333 HA THR 16 HA THR 16 2.052 -4.349 -3.934 334 HB THR 16 HB THR 16 2.613 -3.123 -6.088 335 HG1 THR 16 1HG THR 16 0.891 -2.867 -7.523 336 HG21 THR 16 3HG2 THR 16 0.896 -5.604 -6.215 337 HG22 THR 16 1HG2 THR 16 2.634 -5.561 -5.932 338 HG23 THR 16 2HG2 THR 16 1.981 -5.051 -7.490 339 H LYS 17 H LYS 17 3.471 -2.881 -3.440 340 HA LYS 17 HA LYS 17 2.644 -0.704 -1.792 341 HB2 LYS 17 2HB LYS 17 4.744 -2.043 -1.555 342 HB3 LYS 17 1HB LYS 17 5.428 -1.235 -2.919 343 HG2 LYS 17 2HG LYS 17 6.278 -0.450 -0.867 344 HG3 LYS 17 1HG LYS 17 5.518 0.863 -1.785 345 HD2 LYS 17 2HD LYS 17 4.928 1.160 0.527 346 HD3 LYS 17 1HD LYS 17 3.493 0.544 -0.275 347 HE2 LYS 17 2HE LYS 17 3.790 -0.536 1.875 348 HE3 LYS 17 1HE LYS 17 4.021 -1.711 0.586 349 HZ1 LYS 17 3HZ LYS 17 5.604 -1.634 2.548 350 HZ2 LYS 17 1HZ LYS 17 6.369 -0.350 1.829 351 HZ3 LYS 17 2HZ LYS 17 6.281 -1.911 1.090 352 H ARG 18 H ARG 18 3.839 -0.762 -5.022 353 HA ARG 18 HA ARG 18 3.842 2.023 -5.586 354 HB2 ARG 18 2HB ARG 18 3.315 -0.337 -7.378 355 HB3 ARG 18 1HB ARG 18 3.320 1.305 -7.992 356 HG2 ARG 18 2HG ARG 18 5.643 -0.075 -6.661 357 HG3 ARG 18 1HG ARG 18 5.427 0.124 -8.401 358 HD2 ARG 18 2HD ARG 18 5.729 2.336 -6.367 359 HD3 ARG 18 1HD ARG 18 6.933 1.821 -7.543 360 HE ARG 18 HE ARG 18 4.834 2.459 -9.082 361 HH11 ARG 18 1HH1 ARG 18 6.575 4.235 -6.531 362 HH12 ARG 18 2HH1 ARG 18 6.206 5.759 -7.180 363 HH21 ARG 18 1HH2 ARG 18 4.349 4.614 -9.933 364 HH22 ARG 18 2HH2 ARG 18 4.944 5.986 -9.117 365 H SER 19 H SER 19 1.224 -0.241 -5.328 366 HA SER 19 HA SER 19 -0.660 1.377 -6.704 367 HB2 SER 19 2HB SER 19 -0.737 -1.050 -6.718 368 HB3 SER 19 1HB SER 19 -1.037 -1.122 -5.006 369 HG SER 19 HG SER 19 -2.988 -1.256 -6.107 370 H LEU 20 H LEU 20 0.252 0.778 -3.379 371 HA LEU 20 HA LEU 20 -1.829 2.627 -2.437 372 HB2 LEU 20 2HB LEU 20 0.540 1.971 -0.669 373 HB3 LEU 20 1HB LEU 20 -1.054 2.469 -0.257 374 HG LEU 20 HG LEU 20 -1.827 0.152 -1.086 375 HD11 LEU 20 1HD1 LEU 20 -0.183 -1.589 -0.774 376 HD12 LEU 20 2HD1 LEU 20 1.058 -0.373 -0.487 377 HD13 LEU 20 3HD1 LEU 20 0.298 -0.501 -2.077 378 HD21 LEU 20 3HD2 LEU 20 -0.214 0.473 1.409 379 HD22 LEU 20 1HD2 LEU 20 -1.417 -0.778 1.119 380 HD23 LEU 20 2HD2 LEU 20 -1.925 0.913 1.227 381 H ALA 21 H ALA 21 1.380 2.777 -3.391 382 HA ALA 21 HA ALA 21 2.218 5.280 -2.475 383 HB1 ALA 21 1HB ALA 21 2.759 4.166 -5.215 384 HB2 ALA 21 2HB ALA 21 3.650 3.739 -3.757 385 HB3 ALA 21 3HB ALA 21 3.705 5.392 -4.373 386 H ARG 22 H ARG 22 0.336 4.575 -5.314 387 HA ARG 22 HA ARG 22 0.247 7.266 -6.246 388 HB2 ARG 22 2HB ARG 22 -1.550 6.481 -7.768 389 HB3 ARG 22 1HB ARG 22 -0.098 5.486 -7.809 390 HG2 ARG 22 2HG ARG 22 -1.157 3.874 -6.342 391 HG3 ARG 22 1HG ARG 22 -2.607 4.868 -6.297 392 HD2 ARG 22 2HD ARG 22 -2.977 4.522 -8.622 393 HD3 ARG 22 1HD ARG 22 -1.429 3.681 -8.794 394 HE ARG 22 HE ARG 22 -2.622 2.239 -6.920 395 HH11 ARG 22 1HH1 ARG 22 -3.897 3.365 -10.034 396 HH12 ARG 22 2HH1 ARG 22 -4.860 1.972 -10.260 397 HH21 ARG 22 1HH2 ARG 22 -3.891 0.359 -7.296 398 HH22 ARG 22 2HH2 ARG 22 -4.852 0.243 -8.705 399 H PHE 23 H PHE 23 -1.437 5.798 -3.719 400 HA PHE 23 HA PHE 23 -3.547 7.863 -3.833 401 HB2 PHE 23 2HB PHE 23 -4.273 5.439 -3.633 402 HB3 PHE 23 1HB PHE 23 -3.483 5.390 -2.100 403 HD1 PHE 23 1HD PHE 23 -6.022 7.527 -3.811 404 HD2 PHE 23 2HD PHE 23 -4.686 5.758 -0.184 405 HE1 PHE 23 1HE PHE 23 -8.011 8.398 -2.657 406 HE2 PHE 23 2HE PHE 23 -6.670 6.623 0.977 407 HZ PHE 23 HZ PHE 23 -8.337 7.943 -0.259 408 H CYS 24 H CYS 24 -1.943 6.016 -1.470 409 HA CYS 24 HA CYS 24 -1.100 6.426 0.610 410 HB2 CYS 24 2HB CYS 24 0.720 7.308 -0.768 411 HB3 CYS 24 1HB CYS 24 -0.043 8.892 -0.786 412 HN1 NH2 25 HT1 CYS 24 -3.023 6.680 1.767 413 HN2 NH2 25 HT2 CYS 24 -3.596 8.220 2.278
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