NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
552586 | 2lsh | 17596 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 21.734 -8.306 4.305 2 H2 SER 1 2H SER 1 21.824 -9.765 3.447 3 H3 SER 1 3H SER 1 22.235 -9.726 5.089 4 HA SER 1 HA SER 1 19.587 -8.764 4.494 5 HB2 SER 1 2HB SER 1 19.597 -11.684 4.478 6 HB3 SER 1 1HB SER 1 18.758 -10.559 3.408 7 HG SER 1 HG SER 1 20.182 -11.186 1.986 8 H LEU 2 H LEU 2 20.030 -8.016 6.657 9 HA LEU 2 HA LEU 2 19.633 -10.117 8.677 10 HB2 LEU 2 2HB LEU 2 22.008 -8.683 8.371 11 HB3 LEU 2 1HB LEU 2 21.182 -7.874 9.686 12 HG LEU 2 HG LEU 2 22.768 -9.611 10.452 13 HD11 LEU 2 1HD1 LEU 2 20.425 -8.984 11.520 14 HD12 LEU 2 2HD1 LEU 2 20.113 -10.690 11.195 15 HD13 LEU 2 3HD1 LEU 2 21.475 -10.220 12.211 16 HD21 LEU 2 3HD2 LEU 2 20.942 -11.406 8.877 17 HD22 LEU 2 1HD2 LEU 2 22.697 -11.252 8.771 18 HD23 LEU 2 2HD2 LEU 2 21.963 -12.005 10.186 19 HA PRO 3 HA PRO 3 16.253 -7.133 8.969 20 HB2 PRO 3 2HB PRO 3 15.109 -9.183 10.754 21 HB3 PRO 3 1HB PRO 3 14.446 -8.481 9.277 22 HG2 PRO 3 2HG PRO 3 15.358 -11.004 9.348 23 HG3 PRO 3 1HG PRO 3 15.544 -9.982 7.908 24 HD2 PRO 3 2HD PRO 3 17.555 -10.679 10.013 25 HD3 PRO 3 1HD PRO 3 17.765 -10.557 8.254 26 H ALA 4 H ALA 4 16.127 -5.491 10.318 27 HA ALA 4 HA ALA 4 15.988 -4.235 12.191 28 HB1 ALA 4 1HB ALA 4 14.461 -5.272 13.434 29 HB2 ALA 4 2HB ALA 4 15.101 -6.866 13.031 30 HB3 ALA 4 3HB ALA 4 15.809 -5.943 14.357 31 H SER 5 H SER 5 18.528 -4.627 11.252 32 HA SER 5 HA SER 5 20.084 -4.824 13.747 33 HB2 SER 5 2HB SER 5 22.070 -4.945 12.083 34 HB3 SER 5 1HB SER 5 21.050 -6.371 12.270 35 HG SER 5 HG SER 5 20.078 -5.948 10.338 36 H ALA 6 H ALA 6 20.017 -2.818 14.577 37 HA ALA 6 HA ALA 6 20.468 -0.620 14.894 38 HB1 ALA 6 1HB ALA 6 22.583 -1.575 13.415 39 HB2 ALA 6 2HB ALA 6 22.085 -0.136 12.526 40 HB3 ALA 6 3HB ALA 6 22.506 -0.015 14.234 41 H ALA 7 H ALA 7 18.368 -1.601 12.887 42 HA ALA 7 HA ALA 7 18.069 0.760 11.208 43 HB1 ALA 7 1HB ALA 7 16.974 -0.577 9.797 44 HB2 ALA 7 2HB ALA 7 17.498 -1.916 10.821 45 HB3 ALA 7 3HB ALA 7 15.916 -1.181 11.075 46 H LYS 8 H LYS 8 17.032 2.458 12.005 47 HA LYS 8 HA LYS 8 14.882 2.016 13.965 48 HB2 LYS 8 2HB LYS 8 15.706 4.787 13.689 49 HB3 LYS 8 1HB LYS 8 15.627 3.790 15.131 50 HG2 LYS 8 2HG LYS 8 17.883 3.065 13.484 51 HG3 LYS 8 1HG LYS 8 17.906 4.780 13.899 52 HD2 LYS 8 2HD LYS 8 17.585 4.146 16.283 53 HD3 LYS 8 1HD LYS 8 17.721 2.452 15.813 54 HE2 LYS 8 2HE LYS 8 19.938 2.570 15.831 55 HE3 LYS 8 1HE LYS 8 19.914 3.948 14.730 56 HZ1 LYS 8 3HZ LYS 8 19.585 4.108 17.682 57 HZ2 LYS 8 1HZ LYS 8 19.632 5.422 16.610 58 HZ3 LYS 8 2HZ LYS 8 21.008 4.464 16.836 59 H ASN 9 H ASN 9 14.904 1.963 10.937 60 HA ASN 9 HA ASN 9 12.702 3.871 10.567 61 HB2 ASN 9 2HB ASN 9 13.737 4.804 8.809 62 HB3 ASN 9 1HB ASN 9 15.163 3.849 9.192 63 HD21 ASN 9 1HD2 ASN 9 15.730 2.182 7.890 64 HD22 ASN 9 2HD2 ASN 9 14.897 1.748 6.439 65 H ALA 10 H ALA 10 10.908 3.127 9.558 66 HA ALA 10 HA ALA 10 10.931 0.397 8.490 67 HB1 ALA 10 1HB ALA 10 9.717 1.171 10.920 68 HB2 ALA 10 2HB ALA 10 8.419 0.892 9.759 69 HB3 ALA 10 3HB ALA 10 9.594 -0.381 10.089 70 H LYS 11 H LYS 11 11.152 2.482 6.852 71 HA LYS 11 HA LYS 11 8.477 3.259 5.961 72 HB2 LYS 11 2HB LYS 11 11.146 4.180 4.887 73 HB3 LYS 11 1HB LYS 11 9.575 4.914 4.594 74 HG2 LYS 11 2HG LYS 11 9.613 5.090 7.250 75 HG3 LYS 11 1HG LYS 11 11.351 5.094 6.952 76 HD2 LYS 11 2HD LYS 11 10.313 6.848 5.061 77 HD3 LYS 11 1HD LYS 11 9.399 7.190 6.534 78 HE2 LYS 11 2HE LYS 11 12.342 6.867 6.760 79 HE3 LYS 11 1HE LYS 11 11.727 8.342 6.021 80 HZ1 LYS 11 3HZ LYS 11 11.940 8.807 8.298 81 HZ2 LYS 11 1HZ LYS 11 11.236 7.338 8.767 82 HZ3 LYS 11 2HZ LYS 11 10.281 8.552 8.067 83 H LEU 12 H LEU 12 8.699 3.539 3.300 84 HA LEU 12 HA LEU 12 8.554 0.782 2.447 85 HB2 LEU 12 2HB LEU 12 7.759 3.425 1.357 86 HB3 LEU 12 1HB LEU 12 8.059 2.150 0.197 87 HG LEU 12 HG LEU 12 6.384 0.745 1.474 88 HD11 LEU 12 1HD1 LEU 12 4.704 2.288 2.704 89 HD12 LEU 12 2HD1 LEU 12 6.142 1.730 3.557 90 HD13 LEU 12 3HD1 LEU 12 6.088 3.363 2.894 91 HD21 LEU 12 3HD2 LEU 12 4.452 1.954 0.473 92 HD22 LEU 12 1HD2 LEU 12 5.538 3.297 0.114 93 HD23 LEU 12 2HD2 LEU 12 5.805 1.720 -0.632 94 H ALA 13 H ALA 13 11.058 0.866 2.974 95 HA ALA 13 HA ALA 13 13.170 0.540 2.209 96 HB1 ALA 13 1HB ALA 13 13.502 -0.225 0.089 97 HB2 ALA 13 2HB ALA 13 11.748 -0.375 0.172 98 HB3 ALA 13 3HB ALA 13 12.476 1.010 -0.643 99 H THR 14 H THR 14 11.428 3.248 0.866 100 HA THR 14 HA THR 14 13.614 5.026 1.530 101 HB THR 14 HB THR 14 12.700 5.834 -1.064 102 HG1 THR 14 1HG THR 14 13.935 3.267 -1.032 103 HG21 THR 14 3HG2 THR 14 14.871 6.385 -1.308 104 HG22 THR 14 1HG2 THR 14 15.437 4.801 -0.786 105 HG23 THR 14 2HG2 THR 14 14.972 6.010 0.410 106 H SER 15 H SER 15 10.478 4.758 -0.124 107 HA SER 15 HA SER 15 8.530 5.914 0.017 108 HB2 SER 15 2HB SER 15 9.739 6.684 2.674 109 HB3 SER 15 1HB SER 15 8.173 7.307 2.152 110 HG SER 15 HG SER 15 7.308 5.358 2.362 111 H ALA 16 H ALA 16 10.659 8.324 1.570 112 HA ALA 16 HA ALA 16 10.991 10.532 1.121 113 HB1 ALA 16 1HB ALA 16 11.217 10.739 -1.615 114 HB2 ALA 16 2HB ALA 16 12.518 10.318 -0.499 115 HB3 ALA 16 3HB ALA 16 11.606 9.045 -1.309 116 H ALA 17 H ALA 17 9.450 10.102 -1.983 117 HA ALA 17 HA ALA 17 7.572 12.158 -1.675 118 HB1 ALA 17 1HB ALA 17 7.769 11.685 -3.869 119 HB2 ALA 17 2HB ALA 17 8.057 9.969 -3.585 120 HB3 ALA 17 3HB ALA 17 6.415 10.606 -3.544 121 H PHE 18 H PHE 18 7.361 8.673 -1.089 122 HA PHE 18 HA PHE 18 4.584 8.658 -0.453 123 HB2 PHE 18 2HB PHE 18 6.075 6.639 -1.060 124 HB3 PHE 18 1HB PHE 18 6.577 6.667 0.628 125 HD1 PHE 18 2HD PHE 18 3.530 6.551 -1.502 126 HD2 PHE 18 1HD PHE 18 5.336 5.505 2.211 127 HE1 PHE 18 2HE PHE 18 1.533 5.248 -0.896 128 HE2 PHE 18 1HE PHE 18 3.343 4.205 2.821 129 HZ PHE 18 HZ PHE 18 1.437 4.078 1.270 130 H ALA 19 H ALA 19 7.469 9.421 1.299 131 HA ALA 19 HA ALA 19 6.309 9.336 3.908 132 HB1 ALA 19 1HB ALA 19 8.341 9.944 4.672 133 HB2 ALA 19 2HB ALA 19 8.852 9.501 3.042 134 HB3 ALA 19 3HB ALA 19 8.548 11.192 3.443 135 H LYS 20 H LYS 20 6.843 11.850 1.472 136 HA LYS 20 HA LYS 20 5.684 13.995 2.891 137 HB2 LYS 20 2HB LYS 20 6.041 13.397 -0.039 138 HB3 LYS 20 1HB LYS 20 5.164 14.828 0.484 139 HG2 LYS 20 2HG LYS 20 7.060 15.925 0.834 140 HG3 LYS 20 1HG LYS 20 7.664 14.642 1.885 141 HD2 LYS 20 2HD LYS 20 8.832 13.634 0.205 142 HD3 LYS 20 1HD LYS 20 7.702 14.156 -1.044 143 HE2 LYS 20 2HE LYS 20 8.809 16.512 -0.058 144 HE3 LYS 20 1HE LYS 20 10.164 15.388 -0.143 145 HZ1 LYS 20 3HZ LYS 20 8.838 16.746 -2.249 146 HZ2 LYS 20 1HZ LYS 20 8.741 15.068 -2.501 147 HZ3 LYS 20 2HZ LYS 20 10.250 15.817 -2.305 148 H GLN 21 H GLN 21 4.362 11.448 0.878 149 HA GLN 21 HA GLN 21 1.670 12.218 0.841 150 HB2 GLN 21 2HB GLN 21 3.219 10.002 0.038 151 HB3 GLN 21 1HB GLN 21 1.959 9.354 1.079 152 HG2 GLN 21 2HG GLN 21 0.286 10.536 -0.328 153 HG3 GLN 21 1HG GLN 21 1.604 10.994 -1.415 154 HE21 GLN 21 1HE2 GLN 21 -0.627 8.588 -0.579 155 HE22 GLN 21 2HE2 GLN 21 -0.068 7.360 -1.649 156 H ALA 22 H ALA 22 3.501 10.229 3.141 157 HA ALA 22 HA ALA 22 1.284 9.587 4.799 158 HB1 ALA 22 1HB ALA 22 3.032 8.848 6.413 159 HB2 ALA 22 2HB ALA 22 3.208 8.162 4.796 160 HB3 ALA 22 3HB ALA 22 4.251 9.489 5.311 161 H GLU 23 H GLU 23 3.239 12.389 4.534 162 HA GLU 23 HA GLU 23 2.556 13.315 7.207 163 HB2 GLU 23 2HB GLU 23 4.776 13.710 5.666 164 HB3 GLU 23 1HB GLU 23 3.883 15.199 5.377 165 HG2 GLU 23 2HG GLU 23 4.294 15.981 7.422 166 HG3 GLU 23 1HG GLU 23 3.986 14.422 8.185 167 H GLY 24 H GLY 24 1.752 13.911 3.843 168 HA2 GLY 24 1HA GLY 24 0.133 16.230 4.429 169 HA3 GLY 24 2HA GLY 24 0.265 15.407 2.879 170 H THR 25 H THR 25 -0.359 12.807 4.288 171 HA THR 25 HA THR 25 -3.277 13.212 4.380 172 HB THR 25 HB THR 25 -2.187 10.472 4.041 173 HG1 THR 25 1HG THR 25 -0.890 11.700 2.594 174 HG21 THR 25 3HG2 THR 25 -4.667 11.580 3.944 175 HG22 THR 25 1HG2 THR 25 -4.224 10.056 3.170 176 HG23 THR 25 2HG2 THR 25 -4.238 11.552 2.234 177 H THR 26 H THR 26 -4.388 12.619 6.165 178 HA THR 26 HA THR 26 -2.873 12.058 8.530 179 HB THR 26 HB THR 26 -5.840 11.920 8.569 180 HG1 THR 26 1HG THR 26 -4.326 14.066 7.586 181 HG21 THR 26 3HG2 THR 26 -4.722 11.865 10.674 182 HG22 THR 26 1HG2 THR 26 -5.414 13.482 10.513 183 HG23 THR 26 2HG2 THR 26 -3.691 13.228 10.232 184 H CYS 27 H CYS 27 -2.027 10.048 8.439 185 HA CYS 27 HA CYS 27 -3.896 7.834 8.826 186 HB2 CYS 27 2HB CYS 27 -1.775 8.033 6.716 187 HB3 CYS 27 1HB CYS 27 -2.107 6.463 7.445 188 H ASN 28 H ASN 28 -2.251 5.797 9.355 189 HA ASN 28 HA ASN 28 -0.435 6.876 11.406 190 HB2 ASN 28 2HB ASN 28 -2.672 5.478 11.991 191 HB3 ASN 28 1HB ASN 28 -1.526 4.150 11.814 192 HD21 ASN 28 1HD2 ASN 28 -2.851 5.021 14.211 193 HD22 ASN 28 2HD2 ASN 28 -1.608 5.465 15.332 194 H VAL 29 H VAL 29 1.380 5.447 11.970 195 HA VAL 29 HA VAL 29 2.766 4.821 9.575 196 HB VAL 29 HB VAL 29 4.467 3.838 11.344 197 HG11 VAL 29 1HG1 VAL 29 3.927 6.797 11.278 198 HG12 VAL 29 2HG1 VAL 29 5.475 5.976 11.476 199 HG13 VAL 29 3HG1 VAL 29 4.635 5.908 9.928 200 HG21 VAL 29 3HG2 VAL 29 2.933 3.843 13.233 201 HG22 VAL 29 1HG2 VAL 29 4.261 4.968 13.521 202 HG23 VAL 29 2HG2 VAL 29 2.674 5.577 13.044 203 H GLY 30 H GLY 30 1.573 2.766 12.237 204 HA2 GLY 30 1HA GLY 30 2.476 0.355 10.896 205 HA3 GLY 30 2HA GLY 30 1.624 0.445 12.433 206 H SER 31 H SER 31 0.109 2.315 10.140 207 HA SER 31 HA SER 31 -1.558 0.146 9.124 208 HB2 SER 31 2HB SER 31 -2.778 2.652 10.291 209 HB3 SER 31 1HB SER 31 -3.605 1.176 9.788 210 HG SER 31 HG SER 31 -1.826 0.434 11.559 211 H ILE 32 H ILE 32 0.494 1.778 7.948 212 HA ILE 32 HA ILE 32 -0.958 3.642 6.254 213 HB ILE 32 HB ILE 32 1.469 3.948 7.316 214 HG12 ILE 32 2HG1 ILE 32 1.729 5.260 4.861 215 HG13 ILE 32 1HG1 ILE 32 -0.005 5.103 5.122 216 HG21 ILE 32 1HG2 ILE 32 2.955 3.708 5.082 217 HG22 ILE 32 2HG2 ILE 32 2.937 2.527 6.393 218 HG23 ILE 32 3HG2 ILE 32 1.944 2.268 4.960 219 HD11 ILE 32 3HD1 ILE 32 0.001 6.495 6.905 220 HD12 ILE 32 1HD1 ILE 32 1.635 6.046 7.400 221 HD13 ILE 32 2HD1 ILE 32 1.394 7.150 6.046 222 H ALA 33 H ALA 33 -1.538 3.215 4.207 223 HA ALA 33 HA ALA 33 -0.500 0.845 2.887 224 HB1 ALA 33 1HB ALA 33 -3.461 1.053 3.328 225 HB2 ALA 33 2HB ALA 33 -2.521 -0.331 2.775 226 HB3 ALA 33 3HB ALA 33 -2.413 0.193 4.454 227 H CYS 34 H CYS 34 -1.477 0.567 0.723 228 HA CYS 34 HA CYS 34 -2.628 3.056 -0.351 229 HB2 CYS 34 2HB CYS 34 -0.217 2.530 -1.071 230 HB3 CYS 34 1HB CYS 34 -0.905 1.183 -1.973 231 H CYS 35 H CYS 35 -4.375 2.820 -1.676 232 HA CYS 35 HA CYS 35 -5.311 0.062 -2.137 233 HB2 CYS 35 2HB CYS 35 -7.315 2.243 -1.950 234 HB3 CYS 35 1HB CYS 35 -7.421 0.571 -1.413 235 H ASN 36 H ASN 36 -6.093 -0.396 -4.162 236 HA ASN 36 HA ASN 36 -5.928 1.828 -6.084 237 HB2 ASN 36 2HB ASN 36 -4.244 -0.178 -6.186 238 HB3 ASN 36 1HB ASN 36 -5.595 -1.019 -6.941 239 HD21 ASN 36 1HD2 ASN 36 -5.617 -0.919 -9.059 240 HD22 ASN 36 2HD2 ASN 36 -4.968 0.353 -10.029 241 H SER 37 H SER 37 -7.332 1.741 -7.906 242 HA SER 37 HA SER 37 -9.974 1.316 -7.616 243 HB2 SER 37 2HB SER 37 -9.060 0.492 -10.270 244 HB3 SER 37 1HB SER 37 -10.027 1.890 -9.797 245 HG SER 37 HG SER 37 -8.202 2.845 -10.404 246 HA PRO 38 HA PRO 38 -10.564 -2.882 -6.540 247 HB2 PRO 38 2HB PRO 38 -13.108 -3.137 -7.715 248 HB3 PRO 38 1HB PRO 38 -12.754 -2.628 -6.063 249 HG2 PRO 38 2HG PRO 38 -13.358 -0.978 -8.467 250 HG3 PRO 38 1HG PRO 38 -13.780 -0.696 -6.768 251 HD2 PRO 38 2HD PRO 38 -11.815 0.677 -7.954 252 HD3 PRO 38 1HD PRO 38 -11.679 0.158 -6.261 253 H ALA 39 H ALA 39 -11.326 -1.996 -9.910 254 HA ALA 39 HA ALA 39 -11.541 -4.672 -10.819 255 HB1 ALA 39 1HB ALA 39 -12.441 -3.500 -12.482 256 HB2 ALA 39 2HB ALA 39 -11.618 -2.022 -11.985 257 HB3 ALA 39 3HB ALA 39 -10.798 -3.178 -13.032 258 H GLU 40 H GLU 40 -8.829 -2.659 -10.164 259 HA GLU 40 HA GLU 40 -7.038 -4.344 -11.758 260 HB2 GLU 40 2HB GLU 40 -6.532 -1.771 -10.253 261 HB3 GLU 40 1HB GLU 40 -5.305 -2.659 -11.145 262 HG2 GLU 40 2HG GLU 40 -7.707 -1.220 -12.210 263 HG3 GLU 40 1HG GLU 40 -6.004 -0.929 -12.560 264 H THR 41 H THR 41 -7.562 -3.246 -8.435 265 HA THR 41 HA THR 41 -5.561 -4.777 -7.203 266 HB THR 41 HB THR 41 -8.217 -4.239 -5.903 267 HG1 THR 41 1HG THR 41 -7.823 -2.117 -5.887 268 HG21 THR 41 3HG2 THR 41 -5.502 -3.762 -4.736 269 HG22 THR 41 1HG2 THR 41 -6.155 -5.398 -4.812 270 HG23 THR 41 2HG2 THR 41 -7.017 -4.144 -3.921 271 H ASN 42 H ASN 42 -8.799 -5.543 -8.278 272 HA ASN 42 HA ASN 42 -8.518 -8.278 -7.256 273 HB2 ASN 42 2HB ASN 42 -10.751 -6.459 -7.562 274 HB3 ASN 42 1HB ASN 42 -11.064 -7.996 -8.363 275 HD21 ASN 42 1HD2 ASN 42 -9.888 -6.635 -5.329 276 HD22 ASN 42 2HD2 ASN 42 -10.558 -7.861 -4.309 277 H ASN 43 H ASN 43 -7.389 -6.894 -9.753 278 HA ASN 43 HA ASN 43 -8.518 -7.877 -12.089 279 HB2 ASN 43 2HB ASN 43 -6.462 -6.327 -11.759 280 HB3 ASN 43 1HB ASN 43 -5.535 -7.819 -11.686 281 HD21 ASN 43 1HD2 ASN 43 -5.936 -5.463 -13.665 282 HD22 ASN 43 2HD2 ASN 43 -6.041 -6.281 -15.191 283 H ASP 44 H ASP 44 -6.054 -9.389 -10.033 284 HA ASP 44 HA ASP 44 -6.501 -11.949 -11.364 285 HB2 ASP 44 2HB ASP 44 -4.184 -11.020 -10.699 286 HB3 ASP 44 1HB ASP 44 -4.623 -11.468 -9.049 287 H SER 45 H SER 45 -7.584 -13.641 -10.418 288 HA SER 45 HA SER 45 -9.324 -13.078 -8.261 289 HB2 SER 45 2HB SER 45 -9.345 -15.804 -8.422 290 HB3 SER 45 1HB SER 45 -10.303 -14.737 -9.445 291 HG SER 45 HG SER 45 -8.195 -16.350 -10.084 292 H LEU 46 H LEU 46 -6.141 -14.437 -8.482 293 HA LEU 46 HA LEU 46 -6.154 -15.430 -5.757 294 HB2 LEU 46 2HB LEU 46 -4.407 -15.598 -8.084 295 HB3 LEU 46 1HB LEU 46 -3.518 -15.317 -6.598 296 HG LEU 46 HG LEU 46 -5.134 -17.301 -5.775 297 HD11 LEU 46 1HD1 LEU 46 -5.468 -18.956 -7.436 298 HD12 LEU 46 2HD1 LEU 46 -6.104 -17.448 -8.091 299 HD13 LEU 46 3HD1 LEU 46 -4.539 -18.051 -8.629 300 HD21 LEU 46 3HD2 LEU 46 -2.539 -17.722 -7.258 301 HD22 LEU 46 1HD2 LEU 46 -2.679 -17.181 -5.587 302 HD23 LEU 46 2HD2 LEU 46 -3.244 -18.787 -6.043 303 H LEU 47 H LEU 47 -5.286 -12.549 -7.483 304 HA LEU 47 HA LEU 47 -3.533 -11.368 -5.636 305 HB2 LEU 47 2HB LEU 47 -4.681 -10.624 -8.039 306 HB3 LEU 47 1HB LEU 47 -5.379 -9.486 -6.904 307 HG LEU 47 HG LEU 47 -3.340 -8.641 -8.029 308 HD11 LEU 47 1HD1 LEU 47 -3.566 -7.439 -6.133 309 HD12 LEU 47 2HD1 LEU 47 -3.635 -8.868 -5.102 310 HD13 LEU 47 3HD1 LEU 47 -2.080 -8.284 -5.698 311 HD21 LEU 47 3HD2 LEU 47 -2.123 -11.015 -6.678 312 HD22 LEU 47 1HD2 LEU 47 -1.998 -10.509 -8.363 313 HD23 LEU 47 2HD2 LEU 47 -1.161 -9.602 -7.105 314 H SER 48 H SER 48 -7.036 -11.502 -5.779 315 HA SER 48 HA SER 48 -7.675 -9.663 -3.784 316 HB2 SER 48 2HB SER 48 -9.098 -11.197 -5.461 317 HB3 SER 48 1HB SER 48 -9.302 -12.144 -3.986 318 HG SER 48 HG SER 48 -10.643 -10.015 -4.697 319 H GLY 49 H GLY 49 -6.615 -13.020 -3.550 320 HA2 GLY 49 1HA GLY 49 -6.955 -12.991 -0.640 321 HA3 GLY 49 2HA GLY 49 -6.496 -14.379 -1.617 322 H LEU 50 H LEU 50 -4.611 -12.246 -2.926 323 HA LEU 50 HA LEU 50 -2.279 -13.082 -1.482 324 HB2 LEU 50 2HB LEU 50 -2.891 -12.132 -4.075 325 HB3 LEU 50 1HB LEU 50 -1.744 -11.001 -3.389 326 HG LEU 50 HG LEU 50 -0.371 -13.131 -2.808 327 HD11 LEU 50 1HD1 LEU 50 -1.641 -14.295 -5.219 328 HD12 LEU 50 2HD1 LEU 50 -0.808 -15.083 -3.884 329 HD13 LEU 50 3HD1 LEU 50 -2.458 -14.501 -3.673 330 HD21 LEU 50 3HD2 LEU 50 0.043 -13.044 -5.568 331 HD22 LEU 50 1HD2 LEU 50 -0.539 -11.438 -5.123 332 HD23 LEU 50 2HD2 LEU 50 0.882 -12.115 -4.326 333 H LEU 51 H LEU 51 -4.171 -10.145 -1.793 334 HA LEU 51 HA LEU 51 -2.306 -8.481 -0.409 335 HB2 LEU 51 2HB LEU 51 -4.363 -6.969 -0.166 336 HB3 LEU 51 1HB LEU 51 -3.756 -7.286 -1.777 337 HG LEU 51 HG LEU 51 -5.619 -9.263 -1.496 338 HD11 LEU 51 1HD1 LEU 51 -7.488 -8.563 -0.367 339 HD12 LEU 51 2HD1 LEU 51 -6.211 -7.948 0.682 340 HD13 LEU 51 3HD1 LEU 51 -7.028 -6.861 -0.441 341 HD21 LEU 51 3HD2 LEU 51 -5.944 -6.477 -2.605 342 HD22 LEU 51 1HD2 LEU 51 -5.345 -7.898 -3.464 343 HD23 LEU 51 2HD2 LEU 51 -7.028 -7.826 -2.942 344 H GLY 52 H GLY 52 -4.880 -10.592 0.533 345 HA2 GLY 52 1HA GLY 52 -4.978 -9.513 3.231 346 HA3 GLY 52 2HA GLY 52 -6.023 -10.761 2.568 347 H ALA 53 H ALA 53 -2.532 -10.302 3.162 348 HA ALA 53 HA ALA 53 -1.988 -13.048 3.475 349 HB1 ALA 53 1HB ALA 53 -0.039 -11.957 3.061 350 HB2 ALA 53 2HB ALA 53 -0.510 -10.531 3.986 351 HB3 ALA 53 3HB ALA 53 0.060 -11.977 4.822 352 H GLY 54 H GLY 54 -3.248 -10.682 5.633 353 HA2 GLY 54 1HA GLY 54 -3.006 -12.603 7.865 354 HA3 GLY 54 2HA GLY 54 -2.987 -10.860 8.087 355 H LEU 55 H LEU 55 -5.138 -12.203 5.757 356 HA LEU 55 HA LEU 55 -7.389 -12.423 5.621 357 HB2 LEU 55 2HB LEU 55 -7.026 -13.959 7.571 358 HB3 LEU 55 1HB LEU 55 -7.361 -12.609 8.636 359 HG LEU 55 HG LEU 55 -9.643 -12.464 7.516 360 HD11 LEU 55 1HD1 LEU 55 -10.266 -13.899 5.931 361 HD12 LEU 55 2HD1 LEU 55 -8.549 -14.274 5.762 362 HD13 LEU 55 3HD1 LEU 55 -9.571 -15.276 6.788 363 HD21 LEU 55 3HD2 LEU 55 -8.849 -14.886 9.129 364 HD22 LEU 55 1HD2 LEU 55 -9.418 -13.335 9.742 365 HD23 LEU 55 2HD2 LEU 55 -10.520 -14.388 8.852 366 H LEU 56 H LEU 56 -6.424 -9.892 5.472 367 HA LEU 56 HA LEU 56 -7.881 -8.179 7.294 368 HB2 LEU 56 2HB LEU 56 -6.858 -6.379 5.723 369 HB3 LEU 56 1HB LEU 56 -5.841 -7.217 6.873 370 HG LEU 56 HG LEU 56 -5.863 -8.635 4.370 371 HD11 LEU 56 1HD1 LEU 56 -6.415 -6.422 3.440 372 HD12 LEU 56 2HD1 LEU 56 -4.986 -5.753 4.226 373 HD13 LEU 56 3HD1 LEU 56 -4.809 -6.974 2.963 374 HD21 LEU 56 3HD2 LEU 56 -4.181 -8.717 6.232 375 HD22 LEU 56 1HD2 LEU 56 -3.497 -8.504 4.622 376 HD23 LEU 56 2HD2 LEU 56 -3.626 -7.124 5.711 377 H ASN 57 H ASN 57 -8.840 -6.122 6.015 378 HA ASN 57 HA ASN 57 -10.774 -7.234 4.109 379 HB2 ASN 57 2HB ASN 57 -11.463 -6.557 6.587 380 HB3 ASN 57 1HB ASN 57 -11.561 -4.958 5.858 381 HD21 ASN 57 1HD2 ASN 57 -13.842 -5.418 6.614 382 HD22 ASN 57 2HD2 ASN 57 -14.901 -6.143 5.458 383 H GLY 58 H GLY 58 -12.083 -5.042 3.331 384 HA2 GLY 58 1HA GLY 58 -9.971 -3.695 1.777 385 HA3 GLY 58 2HA GLY 58 -11.634 -3.912 1.257 386 H LEU 59 H LEU 59 -11.772 -1.660 0.789 387 HA LEU 59 HA LEU 59 -11.277 0.352 2.714 388 HB2 LEU 59 2HB LEU 59 -11.697 0.395 0.073 389 HB3 LEU 59 1HB LEU 59 -13.319 0.797 0.601 390 HG LEU 59 HG LEU 59 -12.421 2.725 1.850 391 HD11 LEU 59 1HD1 LEU 59 -10.244 2.273 2.432 392 HD12 LEU 59 2HD1 LEU 59 -9.843 1.614 0.847 393 HD13 LEU 59 3HD1 LEU 59 -10.009 3.358 1.061 394 HD21 LEU 59 3HD2 LEU 59 -12.104 2.417 -1.087 395 HD22 LEU 59 1HD2 LEU 59 -13.186 3.462 -0.169 396 HD23 LEU 59 2HD2 LEU 59 -11.484 3.886 -0.337 397 H SER 60 H SER 60 -12.611 1.377 4.142 398 HA SER 60 HA SER 60 -14.690 -0.101 5.310 399 HB2 SER 60 2HB SER 60 -13.186 2.215 5.919 400 HB3 SER 60 1HB SER 60 -14.885 2.668 6.037 401 HG SER 60 HG SER 60 -14.242 1.831 8.009 402 H GLY 61 H GLY 61 -16.379 -0.572 4.006 403 HA2 GLY 61 1HA GLY 61 -18.657 0.057 3.573 404 HA3 GLY 61 2HA GLY 61 -18.107 1.699 3.273 405 H ASN 62 H ASN 62 -15.810 0.060 1.798 406 HA ASN 62 HA ASN 62 -17.325 -0.309 -0.693 407 HB2 ASN 62 2HB ASN 62 -16.304 1.848 -0.878 408 HB3 ASN 62 1HB ASN 62 -14.754 1.232 -0.325 409 HD21 ASN 62 1HD2 ASN 62 -13.628 1.862 -2.107 410 HD22 ASN 62 2HD2 ASN 62 -13.832 1.146 -3.666 411 H THR 63 H THR 63 -17.246 -2.512 -0.549 412 HA THR 63 HA THR 63 -14.818 -3.949 -0.181 413 HB THR 63 HB THR 63 -17.439 -4.934 -1.332 414 HG1 THR 63 1HG THR 63 -16.739 -5.430 1.331 415 HG21 THR 63 3HG2 THR 63 -14.951 -6.255 -0.354 416 HG22 THR 63 1HG2 THR 63 -15.953 -6.643 -1.750 417 HG23 THR 63 2HG2 THR 63 -16.503 -7.064 -0.126 418 H GLY 64 H GLY 64 -13.342 -3.272 -1.698 419 HA2 GLY 64 1HA GLY 64 -13.199 -4.650 -4.103 420 HA3 GLY 64 2HA GLY 64 -13.852 -3.060 -4.475 421 H SER 65 H SER 65 -12.563 -1.284 -3.124 422 HA SER 65 HA SER 65 -9.846 -1.439 -4.033 423 HB2 SER 65 2HB SER 65 -10.856 0.763 -2.257 424 HB3 SER 65 1HB SER 65 -9.726 0.851 -3.611 425 HG SER 65 HG SER 65 -11.368 1.302 -4.833 426 H ALA 66 H ALA 66 -9.098 -3.217 -2.779 427 HA ALA 66 HA ALA 66 -8.963 -2.999 0.085 428 HB1 ALA 66 1HB ALA 66 -7.070 -4.880 -0.781 429 HB2 ALA 66 2HB ALA 66 -8.684 -5.191 -0.141 430 HB3 ALA 66 3HB ALA 66 -8.443 -5.023 -1.882 431 H CYS 67 H CYS 67 -6.946 -2.871 1.280 432 HA CYS 67 HA CYS 67 -4.941 -1.262 -0.148 433 HB2 CYS 67 2HB CYS 67 -5.610 -0.872 2.756 434 HB3 CYS 67 1HB CYS 67 -4.738 0.213 1.682 435 H ALA 68 H ALA 68 -2.882 -1.878 0.034 436 HA ALA 68 HA ALA 68 -2.258 -4.014 1.956 437 HB1 ALA 68 1HB ALA 68 -0.314 -3.367 -0.176 438 HB2 ALA 68 2HB ALA 68 -0.815 -4.932 0.472 439 HB3 ALA 68 3HB ALA 68 -1.843 -4.088 -0.687 440 H LYS 69 H LYS 69 -0.686 -3.750 3.452 441 HA LYS 69 HA LYS 69 0.072 -0.990 3.945 442 HB2 LYS 69 2HB LYS 69 -0.046 -3.482 5.606 443 HB3 LYS 69 1HB LYS 69 0.946 -2.131 6.141 444 HG2 LYS 69 2HG LYS 69 -1.115 -1.853 7.225 445 HG3 LYS 69 1HG LYS 69 -1.136 -0.696 5.892 446 HD2 LYS 69 2HD LYS 69 -3.162 -1.590 5.457 447 HD3 LYS 69 1HD LYS 69 -2.225 -2.880 4.697 448 HE2 LYS 69 2HE LYS 69 -2.469 -3.293 7.545 449 HE3 LYS 69 1HE LYS 69 -4.052 -3.122 6.786 450 HZ1 LYS 69 3HZ LYS 69 -1.987 -5.163 6.363 451 HZ2 LYS 69 1HZ LYS 69 -3.035 -4.779 5.082 452 HZ3 LYS 69 2HZ LYS 69 -3.662 -5.340 6.548 453 H ALA 70 H ALA 70 2.286 -0.609 4.889 454 HA ALA 70 HA ALA 70 4.254 -1.245 3.017 455 HB1 ALA 70 1HB ALA 70 4.244 -0.002 5.708 456 HB2 ALA 70 2HB ALA 70 5.790 -0.532 5.044 457 HB3 ALA 70 3HB ALA 70 4.808 0.639 4.162 458 H SER 71 H SER 71 3.342 -2.850 6.005 459 HA SER 71 HA SER 71 5.617 -4.546 6.160 460 HB2 SER 71 2HB SER 71 3.512 -5.820 7.471 461 HB3 SER 71 1HB SER 71 4.662 -4.697 8.202 462 HG SER 71 HG SER 71 2.099 -4.368 8.047 463 H LEU 72 H LEU 72 2.402 -4.758 4.796 464 HA LEU 72 HA LEU 72 2.528 -7.420 3.869 465 HB2 LEU 72 2HB LEU 72 0.664 -5.327 3.834 466 HB3 LEU 72 1HB LEU 72 0.980 -5.680 2.147 467 HG LEU 72 HG LEU 72 -0.857 -7.017 2.665 468 HD11 LEU 72 1HD1 LEU 72 1.633 -8.264 2.184 469 HD12 LEU 72 2HD1 LEU 72 0.718 -9.296 3.285 470 HD13 LEU 72 3HD1 LEU 72 0.019 -8.824 1.737 471 HD21 LEU 72 3HD2 LEU 72 -0.524 -6.641 5.171 472 HD22 LEU 72 1HD2 LEU 72 -1.245 -8.167 4.656 473 HD23 LEU 72 2HD2 LEU 72 0.453 -8.110 5.127 474 H ILE 73 H ILE 73 3.626 -4.361 2.597 475 HA ILE 73 HA ILE 73 4.237 -5.212 -0.012 476 HB ILE 73 HB ILE 73 5.097 -2.910 1.692 477 HG12 ILE 73 2HG1 ILE 73 4.143 -2.587 -1.089 478 HG13 ILE 73 1HG1 ILE 73 2.993 -3.312 0.027 479 HG21 ILE 73 1HG2 ILE 73 6.487 -2.037 -0.146 480 HG22 ILE 73 2HG2 ILE 73 7.160 -3.504 0.565 481 HG23 ILE 73 3HG2 ILE 73 6.321 -3.578 -0.986 482 HD11 ILE 73 3HD1 ILE 73 4.114 -0.567 -0.037 483 HD12 ILE 73 1HD1 ILE 73 2.460 -1.113 0.249 484 HD13 ILE 73 2HD1 ILE 73 3.672 -1.261 1.522 485 H ASP 74 H ASP 74 6.010 -5.339 3.017 486 HA ASP 74 HA ASP 74 8.391 -6.398 1.760 487 HB2 ASP 74 2HB ASP 74 8.347 -4.930 3.856 488 HB3 ASP 74 1HB ASP 74 7.824 -6.370 4.721 489 H GLN 75 H GLN 75 5.441 -7.690 2.582 490 HA GLN 75 HA GLN 75 6.518 -10.316 3.278 491 HB2 GLN 75 2HB GLN 75 4.173 -8.961 4.005 492 HB3 GLN 75 1HB GLN 75 3.639 -10.227 2.910 493 HG2 GLN 75 2HG GLN 75 3.546 -11.391 4.847 494 HG3 GLN 75 1HG GLN 75 5.237 -11.693 4.448 495 HE21 GLN 75 1HE2 GLN 75 5.982 -8.920 5.065 496 HE22 GLN 75 2HE2 GLN 75 6.011 -8.816 6.785 497 H LEU 76 H LEU 76 4.619 -8.677 0.816 498 HA LEU 76 HA LEU 76 5.132 -10.915 -1.008 499 HB2 LEU 76 2HB LEU 76 2.546 -9.666 -0.247 500 HB3 LEU 76 1HB LEU 76 2.755 -10.155 -1.916 501 HG LEU 76 HG LEU 76 3.449 -12.453 -0.882 502 HD11 LEU 76 1HD1 LEU 76 3.516 -11.729 1.437 503 HD12 LEU 76 2HD1 LEU 76 1.821 -11.245 1.352 504 HD13 LEU 76 3HD1 LEU 76 2.260 -12.946 1.204 505 HD21 LEU 76 3HD2 LEU 76 1.550 -12.291 -2.257 506 HD22 LEU 76 1HD2 LEU 76 0.999 -13.052 -0.765 507 HD23 LEU 76 2HD2 LEU 76 0.669 -11.347 -1.059 508 H GLY 77 H GLY 77 3.866 -7.578 -0.834 509 HA2 GLY 77 1HA GLY 77 4.771 -5.730 -2.002 510 HA3 GLY 77 2HA GLY 77 5.658 -6.847 -3.028 511 H LEU 78 H LEU 78 2.221 -6.476 -2.208 512 HA LEU 78 HA LEU 78 1.184 -7.324 -4.632 513 HB2 LEU 78 2HB LEU 78 0.072 -5.416 -2.585 514 HB3 LEU 78 1HB LEU 78 -0.855 -5.970 -3.965 515 HG LEU 78 HG LEU 78 -1.572 -7.415 -2.319 516 HD11 LEU 78 1HD1 LEU 78 0.749 -9.135 -2.969 517 HD12 LEU 78 2HD1 LEU 78 -0.979 -9.476 -3.055 518 HD13 LEU 78 3HD1 LEU 78 -0.205 -8.526 -4.323 519 HD21 LEU 78 3HD2 LEU 78 -0.482 -7.079 -0.384 520 HD22 LEU 78 1HD2 LEU 78 0.435 -8.506 -0.868 521 HD23 LEU 78 2HD2 LEU 78 1.082 -6.894 -1.177 522 H LEU 79 H LEU 79 1.942 -6.505 -6.505 523 HA LEU 79 HA LEU 79 2.558 -3.737 -6.833 524 HB2 LEU 79 2HB LEU 79 2.709 -4.587 -9.334 525 HB3 LEU 79 1HB LEU 79 3.944 -4.980 -8.153 526 HG LEU 79 HG LEU 79 2.215 -7.076 -7.848 527 HD11 LEU 79 1HD1 LEU 79 0.793 -6.569 -9.659 528 HD12 LEU 79 2HD1 LEU 79 2.153 -6.191 -10.719 529 HD13 LEU 79 3HD1 LEU 79 1.857 -7.859 -10.225 530 HD21 LEU 79 3HD2 LEU 79 4.785 -6.851 -8.268 531 HD22 LEU 79 1HD2 LEU 79 3.953 -8.361 -8.640 532 HD23 LEU 79 2HD2 LEU 79 4.341 -7.227 -9.934 533 H ALA 80 H ALA 80 -0.354 -5.165 -6.680 534 HA ALA 80 HA ALA 80 -1.685 -4.079 -8.953 535 HB1 ALA 80 1HB ALA 80 -3.293 -4.605 -6.541 536 HB2 ALA 80 2HB ALA 80 -3.501 -5.177 -8.195 537 HB3 ALA 80 3HB ALA 80 -2.339 -5.966 -7.131 538 H LEU 81 H LEU 81 -0.986 -2.932 -5.717 539 HA LEU 81 HA LEU 81 -2.416 -0.446 -6.343 540 HB2 LEU 81 2HB LEU 81 -2.477 -0.268 -3.740 541 HB3 LEU 81 1HB LEU 81 -3.670 -1.217 -4.610 542 HG LEU 81 HG LEU 81 -2.070 -3.207 -4.184 543 HD11 LEU 81 1HD1 LEU 81 -0.398 -3.007 -2.692 544 HD12 LEU 81 2HD1 LEU 81 -0.434 -1.330 -3.250 545 HD13 LEU 81 3HD1 LEU 81 -1.242 -1.778 -1.746 546 HD21 LEU 81 3HD2 LEU 81 -3.007 -2.940 -1.594 547 HD22 LEU 81 1HD2 LEU 81 -4.120 -1.957 -2.550 548 HD23 LEU 81 2HD2 LEU 81 -3.879 -3.656 -2.952 549 H VAL 82 H VAL 82 0.547 -1.633 -6.244 550 HA VAL 82 HA VAL 82 1.721 0.767 -5.014 551 HB VAL 82 HB VAL 82 3.012 -1.916 -5.582 552 HG11 VAL 82 1HG1 VAL 82 4.718 -0.319 -5.892 553 HG12 VAL 82 2HG1 VAL 82 4.174 0.641 -4.515 554 HG13 VAL 82 3HG1 VAL 82 4.925 -0.934 -4.253 555 HG21 VAL 82 3HG2 VAL 82 2.216 -2.493 -3.594 556 HG22 VAL 82 1HG2 VAL 82 3.258 -1.256 -2.883 557 HG23 VAL 82 2HG2 VAL 82 1.594 -0.867 -3.312 558 H ASP 83 H ASP 83 2.981 2.101 -6.221 559 HA ASP 83 HA ASP 83 3.473 1.303 -9.014 560 HB2 ASP 83 2HB ASP 83 1.694 3.098 -8.711 561 HB3 ASP 83 1HB ASP 83 2.987 4.144 -8.118 562 H HIS 84 H HIS 84 5.430 2.158 -9.955 563 HA HIS 84 HA HIS 84 7.346 2.984 -7.887 564 HB2 HIS 84 2HB HIS 84 7.547 0.639 -9.111 565 HB3 HIS 84 1HB HIS 84 8.358 1.625 -10.328 566 HD1 HIS 84 1HD HIS 84 10.379 3.192 -9.285 567 HD2 HIS 84 2HD HIS 84 9.169 -0.121 -7.070 568 HE1 HIS 84 1HE HIS 84 12.154 2.847 -7.545 569 HE2 HIS 84 2HE HIS 84 11.538 0.691 -6.396 570 H THR 85 H THR 85 8.411 4.764 -8.159 571 HA THR 85 HA THR 85 8.871 5.826 -10.843 572 HB THR 85 HB THR 85 6.921 7.033 -9.909 573 HG1 THR 85 1HG THR 85 8.627 9.125 -9.714 574 HG21 THR 85 3HG2 THR 85 8.206 8.632 -7.949 575 HG22 THR 85 1HG2 THR 85 8.466 6.936 -7.540 576 HG23 THR 85 2HG2 THR 85 6.830 7.548 -7.758 577 H GLU 86 H GLU 86 10.563 7.769 -10.511 578 HA GLU 86 HA GLU 86 12.843 6.527 -9.347 579 HB2 GLU 86 2HB GLU 86 12.519 9.378 -10.302 580 HB3 GLU 86 1HB GLU 86 14.046 8.565 -9.985 581 HG2 GLU 86 2HG GLU 86 12.038 7.824 -12.097 582 HG3 GLU 86 1HG GLU 86 13.576 8.641 -12.361 583 H GLU 87 H GLU 87 10.418 8.557 -8.108 584 HA GLU 87 HA GLU 87 11.910 9.603 -5.897 585 HB2 GLU 87 2HB GLU 87 8.962 9.443 -6.513 586 HB3 GLU 87 1HB GLU 87 9.576 10.112 -5.008 587 HG2 GLU 87 2HG GLU 87 9.239 11.977 -6.348 588 HG3 GLU 87 1HG GLU 87 10.971 11.672 -6.483 589 H GLY 88 H GLY 88 10.822 6.557 -6.660 590 HA2 GLY 88 1HA GLY 88 11.560 4.807 -5.115 591 HA3 GLY 88 2HA GLY 88 10.883 5.771 -3.812 592 HA PRO 89 HA PRO 89 7.676 2.585 -5.099 593 HB2 PRO 89 2HB PRO 89 7.741 1.997 -2.211 594 HB3 PRO 89 1HB PRO 89 7.816 0.888 -3.582 595 HG2 PRO 89 2HG PRO 89 9.957 1.380 -2.035 596 HG3 PRO 89 1HG PRO 89 10.105 1.068 -3.775 597 HD2 PRO 89 2HD PRO 89 10.199 3.669 -2.298 598 HD3 PRO 89 1HD PRO 89 11.186 3.116 -3.666 599 H VAL 90 H VAL 90 5.742 3.555 -5.249 600 HA VAL 90 HA VAL 90 4.861 5.292 -3.047 601 HB VAL 90 HB VAL 90 3.976 6.848 -4.894 602 HG11 VAL 90 1HG1 VAL 90 5.695 7.603 -3.434 603 HG12 VAL 90 2HG1 VAL 90 6.906 6.605 -4.240 604 HG13 VAL 90 3HG1 VAL 90 6.209 7.994 -5.074 605 HG21 VAL 90 3HG2 VAL 90 5.234 6.852 -6.980 606 HG22 VAL 90 1HG2 VAL 90 6.134 5.425 -6.463 607 HG23 VAL 90 2HG2 VAL 90 4.398 5.314 -6.770 608 H CYS 91 H CYS 91 2.531 6.134 -3.692 609 HA CYS 91 HA CYS 91 0.832 3.861 -3.804 610 HB2 CYS 91 2HB CYS 91 0.610 6.642 -3.171 611 HB3 CYS 91 1HB CYS 91 -0.644 6.232 -4.338 612 H LYS 92 H LYS 92 -0.537 3.179 -5.412 613 HA LYS 92 HA LYS 92 0.130 3.977 -8.116 614 HB2 LYS 92 2HB LYS 92 -0.244 1.580 -7.459 615 HB3 LYS 92 1HB LYS 92 -1.939 1.968 -7.219 616 HG2 LYS 92 2HG LYS 92 -1.757 0.969 -9.358 617 HG3 LYS 92 1HG LYS 92 -2.017 2.696 -9.620 618 HD2 LYS 92 2HD LYS 92 -0.154 2.801 -10.820 619 HD3 LYS 92 1HD LYS 92 0.770 2.259 -9.421 620 HE2 LYS 92 2HE LYS 92 -0.389 -0.063 -10.338 621 HE3 LYS 92 1HE LYS 92 -0.002 0.806 -11.823 622 HZ1 LYS 92 3HZ LYS 92 1.868 -0.511 -11.244 623 HZ2 LYS 92 1HZ LYS 92 1.864 0.052 -9.644 624 HZ3 LYS 92 2HZ LYS 92 2.282 1.102 -10.905 625 H ASN 93 H ASN 93 -2.561 4.262 -5.848 626 HA ASN 93 HA ASN 93 -3.722 6.327 -7.523 627 HB2 ASN 93 2HB ASN 93 -4.895 3.640 -7.241 628 HB3 ASN 93 1HB ASN 93 -6.013 4.970 -6.949 629 HD21 ASN 93 1HD2 ASN 93 -4.455 3.090 -9.247 630 HD22 ASN 93 2HD2 ASN 93 -4.906 3.983 -10.663 631 H ILE 94 H ILE 94 -5.307 4.407 -5.010 632 HA ILE 94 HA ILE 94 -5.981 6.939 -3.722 633 HB ILE 94 HB ILE 94 -7.122 4.179 -3.254 634 HG12 ILE 94 2HG1 ILE 94 -8.791 6.207 -4.575 635 HG13 ILE 94 1HG1 ILE 94 -7.397 5.697 -5.524 636 HG21 ILE 94 1HG2 ILE 94 -8.425 6.778 -2.544 637 HG22 ILE 94 2HG2 ILE 94 -8.795 5.154 -1.965 638 HG23 ILE 94 3HG2 ILE 94 -7.323 5.964 -1.431 639 HD11 ILE 94 3HD1 ILE 94 -8.116 3.371 -5.313 640 HD12 ILE 94 1HD1 ILE 94 -9.519 3.896 -4.378 641 HD13 ILE 94 2HD1 ILE 94 -9.353 4.377 -6.068 642 H VAL 95 H VAL 95 -5.233 7.546 -1.770 643 HA VAL 95 HA VAL 95 -3.531 5.661 -0.303 644 HB VAL 95 HB VAL 95 -2.378 7.692 -0.778 645 HG11 VAL 95 1HG1 VAL 95 -3.497 9.835 0.401 646 HG12 VAL 95 2HG1 VAL 95 -3.743 9.406 -1.293 647 HG13 VAL 95 3HG1 VAL 95 -4.948 8.956 -0.086 648 HG21 VAL 95 3HG2 VAL 95 -3.122 8.324 2.022 649 HG22 VAL 95 1HG2 VAL 95 -2.504 6.706 1.691 650 HG23 VAL 95 2HG2 VAL 95 -1.533 8.118 1.285 651 H ALA 96 H ALA 96 -4.068 4.914 1.691 652 HA ALA 96 HA ALA 96 -6.123 6.208 3.267 653 HB1 ALA 96 1HB ALA 96 -6.779 3.388 2.875 654 HB2 ALA 96 2HB ALA 96 -7.832 4.802 2.911 655 HB3 ALA 96 3HB ALA 96 -6.976 4.378 1.429 656 H CYS 97 H CYS 97 -6.511 4.991 5.332 657 HA CYS 97 HA CYS 97 -4.013 3.717 6.212 658 HB2 CYS 97 2HB CYS 97 -5.886 4.531 8.308 659 HB3 CYS 97 1HB CYS 97 -4.160 4.846 8.160 660 H CYS 98 H CYS 98 -4.035 1.652 6.865 661 HA CYS 98 HA CYS 98 -6.635 0.323 7.221 662 HB2 CYS 98 2HB CYS 98 -5.765 0.189 4.830 663 HB3 CYS 98 1HB CYS 98 -4.450 -0.794 5.470 664 HA PRO 99 HA PRO 99 -4.276 -1.603 10.481 665 HB2 PRO 99 2HB PRO 99 -6.223 -3.128 11.508 666 HB3 PRO 99 1HB PRO 99 -6.271 -1.370 11.641 667 HG2 PRO 99 2HG PRO 99 -7.740 -3.171 9.762 668 HG3 PRO 99 1HG PRO 99 -8.321 -1.733 10.625 669 HD2 PRO 99 2HD PRO 99 -7.507 -1.755 7.986 670 HD3 PRO 99 1HD PRO 99 -7.536 -0.315 9.021 671 H GLU 100 H GLU 100 -3.008 -3.397 10.643 672 HA GLU 100 HA GLU 100 -3.447 -5.651 8.899 673 HB2 GLU 100 2HB GLU 100 -1.206 -4.612 10.068 674 HB3 GLU 100 1HB GLU 100 -1.554 -5.971 11.132 675 HG2 GLU 100 2HG GLU 100 -0.473 -7.249 9.676 676 HG3 GLU 100 1HG GLU 100 -1.837 -7.020 8.582 677 H GLY 101 H GLY 101 -4.623 -7.397 9.379 678 HA2 GLY 101 1HA GLY 101 -5.059 -9.017 11.311 679 HA3 GLY 101 2HA GLY 101 -5.697 -7.577 12.107 680 H THR 102 H THR 102 -7.819 -7.223 11.877 681 HA THR 102 HA THR 102 -9.100 -7.985 9.369 682 HB THR 102 HB THR 102 -10.746 -8.782 11.631 683 HG1 THR 102 1HG THR 102 -8.293 -10.165 11.130 684 HG21 THR 102 3HG2 THR 102 -9.852 -9.982 9.027 685 HG22 THR 102 1HG2 THR 102 -11.454 -9.402 9.474 686 HG23 THR 102 2HG2 THR 102 -10.828 -10.893 10.181 687 H THR 103 H THR 103 -9.730 -6.035 8.832 688 HA THR 103 HA THR 103 -12.188 -5.095 9.537 689 HB THR 103 HB THR 103 -10.961 -2.716 10.368 690 HG1 THR 103 1HG THR 103 -9.977 -4.926 11.870 691 HG21 THR 103 3HG2 THR 103 -13.093 -4.312 11.081 692 HG22 THR 103 1HG2 THR 103 -12.680 -2.745 11.783 693 HG23 THR 103 2HG2 THR 103 -12.125 -4.232 12.553 694 H ASN 104 H ASN 104 -12.567 -2.854 8.600 695 HA ASN 104 HA ASN 104 -11.347 -2.895 5.998 696 HB2 ASN 104 2HB ASN 104 -13.076 -0.605 6.591 697 HB3 ASN 104 1HB ASN 104 -13.168 -1.772 5.282 698 HD21 ASN 104 1HD2 ASN 104 -15.018 -0.516 7.436 699 HD22 ASN 104 2HD2 ASN 104 -15.960 -1.876 7.956 700 H CYS 105 H CYS 105 -10.813 -0.698 5.019 701 HA CYS 105 HA CYS 105 -8.985 0.679 6.871 702 HB2 CYS 105 2HB CYS 105 -8.576 0.954 3.951 703 HB3 CYS 105 1HB CYS 105 -7.395 0.755 5.240 704 H VAL 106 H VAL 106 -8.898 2.923 6.856 705 HA VAL 106 HA VAL 106 -11.321 4.183 5.821 706 HB VAL 106 HB VAL 106 -11.031 5.906 7.418 707 HG11 VAL 106 1HG1 VAL 106 -10.081 3.407 8.801 708 HG12 VAL 106 2HG1 VAL 106 -11.016 4.731 9.499 709 HG13 VAL 106 3HG1 VAL 106 -11.746 3.679 8.284 710 HG21 VAL 106 3HG2 VAL 106 -8.635 6.313 7.103 711 HG22 VAL 106 1HG2 VAL 106 -9.044 6.175 8.812 712 HG23 VAL 106 2HG2 VAL 106 -8.269 4.827 7.981 713 H ALA 107 H ALA 107 -11.315 5.826 4.365 714 HA ALA 107 HA ALA 107 -8.696 6.459 3.174 715 HB1 ALA 107 1HB ALA 107 -10.092 5.236 1.642 716 HB2 ALA 107 2HB ALA 107 -11.416 6.373 1.882 717 HB3 ALA 107 3HB ALA 107 -9.935 6.900 1.082 718 H VAL 108 H VAL 108 -7.998 8.465 3.303 719 HA VAL 108 HA VAL 108 -9.896 10.544 4.134 720 HB VAL 108 HB VAL 108 -7.363 11.625 4.454 721 HG11 VAL 108 1HG1 VAL 108 -8.191 12.057 6.473 722 HG12 VAL 108 2HG1 VAL 108 -9.618 11.146 5.984 723 HG13 VAL 108 3HG1 VAL 108 -8.320 10.344 6.866 724 HG21 VAL 108 3HG2 VAL 108 -7.323 8.682 4.957 725 HG22 VAL 108 1HG2 VAL 108 -6.079 9.720 4.257 726 HG23 VAL 108 2HG2 VAL 108 -6.389 9.760 5.994 727 H ASP 109 H ASP 109 -8.901 9.496 1.381 728 HA ASP 109 HA ASP 109 -8.328 12.154 0.236 729 HB2 ASP 109 2HB ASP 109 -6.466 10.603 -0.119 730 HB3 ASP 109 1HB ASP 109 -7.561 9.425 -0.835 731 H ASN 110 H ASN 110 -9.270 9.186 -1.383 732 HA ASN 110 HA ASN 110 -11.175 8.443 -2.340 733 HB2 ASN 110 2HB ASN 110 -12.461 10.838 -1.043 734 HB3 ASN 110 1HB ASN 110 -13.348 9.656 -1.999 735 HD21 ASN 110 1HD2 ASN 110 -12.874 10.520 1.025 736 HD22 ASN 110 2HD2 ASN 110 -12.936 8.988 1.823 737 H ALA 111 H ALA 111 -10.908 11.942 -2.667 738 HA ALA 111 HA ALA 111 -11.365 11.603 -5.563 739 HB1 ALA 111 1HB ALA 111 -13.052 12.910 -3.762 740 HB2 ALA 111 2HB ALA 111 -12.229 14.194 -4.649 741 HB3 ALA 111 3HB ALA 111 -13.124 12.952 -5.524 742 H GLY 112 H GLY 112 -8.871 11.938 -3.873 743 HA2 GLY 112 1HA GLY 112 -7.890 14.436 -5.112 744 HA3 GLY 112 2HA GLY 112 -7.191 13.683 -3.686 745 H ALA 113 H ALA 113 -7.695 11.056 -5.201 746 HA ALA 113 HA ALA 113 -6.721 9.640 -6.676 747 HB1 ALA 113 1HB ALA 113 -5.417 12.052 -7.924 748 HB2 ALA 113 2HB ALA 113 -5.540 10.441 -8.624 749 HB3 ALA 113 3HB ALA 113 -6.993 11.405 -8.371 750 H GLY 114 H GLY 114 -5.465 10.748 -4.154 751 HA2 GLY 114 1HA GLY 114 -3.619 10.231 -2.896 752 HA3 GLY 114 2HA GLY 114 -3.355 8.931 -4.046 753 H THR 115 H THR 115 -3.103 12.479 -4.185 754 HA THR 115 HA THR 115 -0.675 12.259 -5.725 755 HB THR 115 HB THR 115 -2.472 14.038 -6.095 756 HG1 THR 115 1HG THR 115 -0.777 14.651 -7.213 757 HG21 THR 115 3HG2 THR 115 -2.416 16.028 -4.764 758 HG22 THR 115 1HG2 THR 115 -1.074 15.416 -3.802 759 HG23 THR 115 2HG2 THR 115 -2.665 14.660 -3.680 760 H LYS 116 H LYS 116 1.329 13.203 -5.100 761 HA LYS 116 HA LYS 116 1.684 13.601 -2.215 762 HB2 LYS 116 2HB LYS 116 4.109 12.545 -3.105 763 HB3 LYS 116 1HB LYS 116 2.929 11.740 -2.085 764 HG2 LYS 116 2HG LYS 116 2.084 10.487 -3.815 765 HG3 LYS 116 1HG LYS 116 2.614 11.637 -5.046 766 HD2 LYS 116 2HD LYS 116 4.969 10.776 -3.804 767 HD3 LYS 116 1HD LYS 116 3.991 9.318 -3.970 768 HE2 LYS 116 2HE LYS 116 4.676 9.219 -6.086 769 HE3 LYS 116 1HE LYS 116 3.675 10.637 -6.396 770 HZ1 LYS 116 3HZ LYS 116 6.549 10.412 -6.219 771 HZ2 LYS 116 1HZ LYS 116 5.913 11.752 -5.397 772 HZ3 LYS 116 2HZ LYS 116 5.605 11.542 -7.049 773 H ALA 117 H ALA 117 3.190 15.153 -1.644 774 HA ALA 117 HA ALA 117 3.805 17.130 -3.597 775 HB1 ALA 117 1HB ALA 117 3.378 17.777 -1.309 776 HB2 ALA 117 2HB ALA 117 4.745 16.819 -0.747 777 HB3 ALA 117 3HB ALA 117 5.019 18.242 -1.749 778 H GLU 118 H GLU 118 5.114 16.401 -5.172 779 HA GLU 118 HA GLU 118 6.887 15.524 -6.278 780 HB2 GLU 118 2HB GLU 118 8.631 16.347 -3.973 781 HB3 GLU 118 1HB GLU 118 9.010 16.338 -5.689 782 HG2 GLU 118 2HG GLU 118 8.413 18.457 -5.861 783 HG3 GLU 118 1HG GLU 118 6.804 18.084 -5.245 Start of MODEL 2 1 H1 SER 1 1H SER 1 15.674 -15.062 8.844 2 H2 SER 1 2H SER 1 17.356 -15.171 8.672 3 H3 SER 1 3H SER 1 16.354 -16.384 8.028 4 HA SER 1 HA SER 1 15.988 -15.291 6.172 5 HB2 SER 1 2HB SER 1 15.874 -12.531 7.086 6 HB3 SER 1 1HB SER 1 14.628 -13.505 6.300 7 HG SER 1 HG SER 1 14.243 -12.756 8.562 8 H LEU 2 H LEU 2 17.320 -14.489 4.591 9 HA LEU 2 HA LEU 2 19.901 -13.413 5.536 10 HB2 LEU 2 2HB LEU 2 19.288 -15.560 3.812 11 HB3 LEU 2 1HB LEU 2 19.953 -14.295 2.797 12 HG LEU 2 HG LEU 2 21.927 -14.214 4.383 13 HD11 LEU 2 1HD1 LEU 2 21.072 -15.238 6.334 14 HD12 LEU 2 2HD1 LEU 2 20.534 -16.661 5.440 15 HD13 LEU 2 3HD1 LEU 2 22.258 -16.362 5.671 16 HD21 LEU 2 3HD2 LEU 2 22.833 -16.446 3.497 17 HD22 LEU 2 1HD2 LEU 2 21.265 -16.612 2.703 18 HD23 LEU 2 2HD2 LEU 2 22.309 -15.244 2.317 19 HA PRO 3 HA PRO 3 18.457 -9.717 3.488 20 HB2 PRO 3 2HB PRO 3 20.383 -8.076 4.390 21 HB3 PRO 3 1HB PRO 3 19.086 -8.659 5.440 22 HG2 PRO 3 2HG PRO 3 21.919 -9.592 5.223 23 HG3 PRO 3 1HG PRO 3 20.914 -9.376 6.669 24 HD2 PRO 3 2HD PRO 3 21.380 -11.801 5.445 25 HD3 PRO 3 1HD PRO 3 19.969 -11.446 6.459 26 H ALA 4 H ALA 4 20.976 -11.641 2.664 27 HA ALA 4 HA ALA 4 22.196 -9.750 0.787 28 HB1 ALA 4 1HB ALA 4 23.641 -12.023 0.475 29 HB2 ALA 4 2HB ALA 4 24.012 -10.766 1.654 30 HB3 ALA 4 3HB ALA 4 23.106 -12.196 2.147 31 H SER 5 H SER 5 19.798 -12.105 0.851 32 HA SER 5 HA SER 5 20.246 -13.066 -1.849 33 HB2 SER 5 2HB SER 5 17.664 -13.705 -0.655 34 HB3 SER 5 1HB SER 5 18.924 -14.785 -1.252 35 HG SER 5 HG SER 5 18.878 -15.157 0.889 36 H ALA 6 H ALA 6 17.576 -11.394 -0.168 37 HA ALA 6 HA ALA 6 16.613 -10.500 -2.790 38 HB1 ALA 6 1HB ALA 6 14.454 -10.358 -1.902 39 HB2 ALA 6 2HB ALA 6 15.128 -11.817 -1.171 40 HB3 ALA 6 3HB ALA 6 15.044 -10.321 -0.239 41 H ALA 7 H ALA 7 15.246 -8.750 -0.282 42 HA ALA 7 HA ALA 7 15.327 -6.591 0.400 43 HB1 ALA 7 1HB ALA 7 18.272 -6.629 -0.243 44 HB2 ALA 7 2HB ALA 7 17.427 -5.569 0.884 45 HB3 ALA 7 3HB ALA 7 17.582 -7.290 1.242 46 H LYS 8 H LYS 8 15.028 -7.357 -2.478 47 HA LYS 8 HA LYS 8 15.571 -4.716 -3.659 48 HB2 LYS 8 2HB LYS 8 16.571 -7.303 -4.483 49 HB3 LYS 8 1HB LYS 8 15.589 -6.588 -5.753 50 HG2 LYS 8 2HG LYS 8 16.971 -4.660 -5.861 51 HG3 LYS 8 1HG LYS 8 17.840 -5.122 -4.395 52 HD2 LYS 8 2HD LYS 8 18.684 -7.120 -5.591 53 HD3 LYS 8 1HD LYS 8 17.878 -6.554 -7.055 54 HE2 LYS 8 2HE LYS 8 19.586 -5.214 -7.531 55 HE3 LYS 8 1HE LYS 8 19.468 -4.443 -5.949 56 HZ1 LYS 8 3HZ LYS 8 21.456 -6.173 -6.883 57 HZ2 LYS 8 1HZ LYS 8 20.643 -6.970 -5.627 58 HZ3 LYS 8 2HZ LYS 8 21.333 -5.443 -5.354 59 H ASN 9 H ASN 9 13.196 -5.812 -2.394 60 HA ASN 9 HA ASN 9 11.385 -6.133 -4.671 61 HB2 ASN 9 2HB ASN 9 9.708 -6.713 -2.802 62 HB3 ASN 9 1HB ASN 9 10.977 -7.872 -3.158 63 HD21 ASN 9 1HD2 ASN 9 9.295 -6.784 -0.731 64 HD22 ASN 9 2HD2 ASN 9 10.463 -6.805 0.551 65 H ALA 10 H ALA 10 10.489 -4.787 -1.529 66 HA ALA 10 HA ALA 10 10.282 -2.116 -2.619 67 HB1 ALA 10 1HB ALA 10 7.839 -3.729 -1.920 68 HB2 ALA 10 2HB ALA 10 7.838 -1.972 -2.054 69 HB3 ALA 10 3HB ALA 10 8.226 -2.964 -3.462 70 H LYS 11 H LYS 11 11.673 -1.546 -0.958 71 HA LYS 11 HA LYS 11 10.964 -2.063 1.796 72 HB2 LYS 11 2HB LYS 11 13.088 -0.155 0.838 73 HB3 LYS 11 1HB LYS 11 13.000 -0.992 2.378 74 HG2 LYS 11 2HG LYS 11 14.208 -2.666 1.577 75 HG3 LYS 11 1HG LYS 11 13.060 -2.906 0.255 76 HD2 LYS 11 2HD LYS 11 14.759 -2.292 -1.073 77 HD3 LYS 11 1HD LYS 11 14.383 -0.649 -0.535 78 HE2 LYS 11 2HE LYS 11 16.339 -0.487 0.522 79 HE3 LYS 11 1HE LYS 11 16.049 -1.990 1.395 80 HZ1 LYS 11 3HZ LYS 11 17.400 -1.596 -1.202 81 HZ2 LYS 11 1HZ LYS 11 16.760 -3.108 -0.771 82 HZ3 LYS 11 2HZ LYS 11 17.968 -2.397 0.184 83 H LEU 12 H LEU 12 10.059 -0.640 3.202 84 HA LEU 12 HA LEU 12 9.010 1.839 2.064 85 HB2 LEU 12 2HB LEU 12 7.851 -0.048 3.677 86 HB3 LEU 12 1HB LEU 12 8.315 1.178 4.838 87 HG LEU 12 HG LEU 12 6.095 1.685 4.246 88 HD11 LEU 12 1HD1 LEU 12 8.189 3.402 3.054 89 HD12 LEU 12 2HD1 LEU 12 6.516 3.747 2.610 90 HD13 LEU 12 3HD1 LEU 12 7.001 3.763 4.307 91 HD21 LEU 12 3HD2 LEU 12 5.881 2.163 1.573 92 HD22 LEU 12 1HD2 LEU 12 6.931 0.746 1.607 93 HD23 LEU 12 2HD2 LEU 12 5.350 0.692 2.388 94 H ALA 13 H ALA 13 11.257 2.606 2.051 95 HA ALA 13 HA ALA 13 11.725 4.275 4.365 96 HB1 ALA 13 1HB ALA 13 14.290 3.274 3.894 97 HB2 ALA 13 2HB ALA 13 13.280 2.983 5.312 98 HB3 ALA 13 3HB ALA 13 13.245 1.855 3.957 99 H THR 14 H THR 14 13.048 3.087 1.297 100 HA THR 14 HA THR 14 14.363 5.516 0.622 101 HB THR 14 HB THR 14 13.611 3.828 -1.636 102 HG1 THR 14 1HG THR 14 15.281 2.508 0.217 103 HG21 THR 14 3HG2 THR 14 15.486 5.080 -2.065 104 HG22 THR 14 1HG2 THR 14 16.253 3.596 -1.497 105 HG23 THR 14 2HG2 THR 14 16.076 4.970 -0.407 106 H SER 15 H SER 15 11.132 4.362 0.344 107 HA SER 15 HA SER 15 10.312 6.086 -1.793 108 HB2 SER 15 2HB SER 15 8.106 5.182 -0.228 109 HB3 SER 15 1HB SER 15 8.639 4.595 -1.807 110 HG SER 15 HG SER 15 8.800 2.849 -0.505 111 H ALA 16 H ALA 16 11.421 7.927 -0.446 112 HA ALA 16 HA ALA 16 10.114 9.093 1.742 113 HB1 ALA 16 1HB ALA 16 11.966 10.094 -0.371 114 HB2 ALA 16 2HB ALA 16 11.173 11.254 0.694 115 HB3 ALA 16 3HB ALA 16 12.200 9.992 1.373 116 H ALA 17 H ALA 17 9.486 9.224 -1.687 117 HA ALA 17 HA ALA 17 7.643 11.356 -1.704 118 HB1 ALA 17 1HB ALA 17 8.544 10.714 -3.773 119 HB2 ALA 17 2HB ALA 17 8.106 9.023 -3.536 120 HB3 ALA 17 3HB ALA 17 6.851 10.223 -3.846 121 H PHE 18 H PHE 18 7.329 7.956 -0.927 122 HA PHE 18 HA PHE 18 4.508 7.798 -1.128 123 HB2 PHE 18 2HB PHE 18 5.932 5.793 -1.108 124 HB3 PHE 18 1HB PHE 18 6.412 6.143 0.550 125 HD1 PHE 18 2HD PHE 18 3.264 5.726 -1.429 126 HD2 PHE 18 1HD PHE 18 5.340 4.970 2.210 127 HE1 PHE 18 2HE PHE 18 1.332 4.449 -0.596 128 HE2 PHE 18 1HE PHE 18 3.413 3.693 3.049 129 HZ PHE 18 HZ PHE 18 1.405 3.432 1.648 130 H ALA 19 H ALA 19 6.726 8.585 1.502 131 HA ALA 19 HA ALA 19 4.624 8.861 3.431 132 HB1 ALA 19 1HB ALA 19 7.524 9.003 3.415 133 HB2 ALA 19 2HB ALA 19 6.772 10.191 4.477 134 HB3 ALA 19 3HB ALA 19 6.415 8.478 4.680 135 H LYS 20 H LYS 20 6.302 10.981 1.200 136 HA LYS 20 HA LYS 20 5.533 13.487 2.149 137 HB2 LYS 20 2HB LYS 20 6.358 12.339 -0.403 138 HB3 LYS 20 1HB LYS 20 5.197 13.641 -0.614 139 HG2 LYS 20 2HG LYS 20 6.604 15.206 0.421 140 HG3 LYS 20 1HG LYS 20 7.648 13.948 1.085 141 HD2 LYS 20 2HD LYS 20 8.901 13.909 -0.764 142 HD3 LYS 20 1HD LYS 20 7.477 13.741 -1.790 143 HE2 LYS 20 2HE LYS 20 8.290 16.387 -0.620 144 HE3 LYS 20 1HE LYS 20 8.955 15.801 -2.142 145 HZ1 LYS 20 3HZ LYS 20 6.477 15.498 -2.760 146 HZ2 LYS 20 1HZ LYS 20 7.155 17.054 -2.826 147 HZ3 LYS 20 2HZ LYS 20 6.189 16.601 -1.505 148 H GLN 21 H GLN 21 3.842 11.175 0.144 149 HA GLN 21 HA GLN 21 1.424 12.453 -0.302 150 HB2 GLN 21 2HB GLN 21 2.490 9.745 -0.339 151 HB3 GLN 21 1HB GLN 21 0.798 9.780 0.114 152 HG2 GLN 21 2HG GLN 21 0.141 10.265 -1.966 153 HG3 GLN 21 1HG GLN 21 1.429 11.447 -2.196 154 HE21 GLN 21 1HE2 GLN 21 2.990 8.811 -1.172 155 HE22 GLN 21 2HE2 GLN 21 3.361 8.062 -2.682 156 H ALA 22 H ALA 22 2.411 10.385 2.400 157 HA ALA 22 HA ALA 22 -0.180 10.556 3.659 158 HB1 ALA 22 1HB ALA 22 1.762 9.388 5.374 159 HB2 ALA 22 2HB ALA 22 0.443 8.608 4.504 160 HB3 ALA 22 3HB ALA 22 2.019 8.787 3.736 161 H GLU 23 H GLU 23 2.306 12.683 3.549 162 HA GLU 23 HA GLU 23 2.479 13.362 6.333 163 HB2 GLU 23 2HB GLU 23 3.741 14.236 3.843 164 HB3 GLU 23 1HB GLU 23 3.425 15.557 4.963 165 HG2 GLU 23 2HG GLU 23 4.858 13.030 5.731 166 HG3 GLU 23 1HG GLU 23 5.674 14.492 5.174 167 H GLY 24 H GLY 24 0.305 14.027 3.806 168 HA2 GLY 24 1HA GLY 24 -0.784 16.382 5.177 169 HA3 GLY 24 2HA GLY 24 -1.273 15.792 3.593 170 H THR 25 H THR 25 -1.121 13.065 5.229 171 HA THR 25 HA THR 25 -3.943 13.198 6.045 172 HB THR 25 HB THR 25 -2.917 10.506 5.782 173 HG1 THR 25 1HG THR 25 -2.783 12.106 3.417 174 HG21 THR 25 3HG2 THR 25 -4.814 11.371 3.764 175 HG22 THR 25 1HG2 THR 25 -5.291 11.893 5.380 176 HG23 THR 25 2HG2 THR 25 -5.007 10.185 5.055 177 H THR 26 H THR 26 -4.432 11.384 7.757 178 HA THR 26 HA THR 26 -2.312 11.501 9.799 179 HB THR 26 HB THR 26 -5.105 11.165 10.714 180 HG1 THR 26 1HG THR 26 -4.113 13.663 9.749 181 HG21 THR 26 3HG2 THR 26 -2.691 11.637 11.917 182 HG22 THR 26 1HG2 THR 26 -4.267 11.933 12.657 183 HG23 THR 26 2HG2 THR 26 -3.401 13.249 11.866 184 H CYS 27 H CYS 27 -1.439 9.518 9.474 185 HA CYS 27 HA CYS 27 -3.059 7.277 10.393 186 HB2 CYS 27 2HB CYS 27 -1.211 6.576 8.197 187 HB3 CYS 27 1HB CYS 27 -2.812 5.949 8.563 188 H ASN 28 H ASN 28 -1.712 5.499 11.183 189 HA ASN 28 HA ASN 28 0.714 6.611 12.374 190 HB2 ASN 28 2HB ASN 28 -1.335 5.348 13.567 191 HB3 ASN 28 1HB ASN 28 -0.315 3.956 13.228 192 HD21 ASN 28 1HD2 ASN 28 -0.969 6.421 15.361 193 HD22 ASN 28 2HD2 ASN 28 0.466 6.330 16.324 194 H VAL 29 H VAL 29 2.492 4.909 12.794 195 HA VAL 29 HA VAL 29 3.412 3.999 10.263 196 HB VAL 29 HB VAL 29 5.048 4.713 11.868 197 HG11 VAL 29 1HG1 VAL 29 5.062 2.575 13.756 198 HG12 VAL 29 2HG1 VAL 29 4.890 4.307 14.039 199 HG13 VAL 29 3HG1 VAL 29 3.463 3.315 13.731 200 HG21 VAL 29 3HG2 VAL 29 5.079 1.924 10.914 201 HG22 VAL 29 1HG2 VAL 29 6.218 3.240 10.623 202 HG23 VAL 29 2HG2 VAL 29 6.278 2.342 12.139 203 H GLY 30 H GLY 30 3.124 2.092 9.285 204 HA2 GLY 30 1HA GLY 30 2.780 -0.241 9.148 205 HA3 GLY 30 2HA GLY 30 2.282 -0.243 10.838 206 H SER 31 H SER 31 0.506 1.983 10.588 207 HA SER 31 HA SER 31 -1.751 0.651 9.319 208 HB2 SER 31 2HB SER 31 -2.502 3.090 10.595 209 HB3 SER 31 1HB SER 31 -2.853 1.439 11.103 210 HG SER 31 HG SER 31 -0.873 1.414 12.216 211 H ILE 32 H ILE 32 0.385 2.013 7.832 212 HA ILE 32 HA ILE 32 -1.194 4.100 6.505 213 HB ILE 32 HB ILE 32 1.283 4.436 7.579 214 HG12 ILE 32 2HG1 ILE 32 0.893 6.013 5.148 215 HG13 ILE 32 1HG1 ILE 32 -0.524 5.937 6.192 216 HG21 ILE 32 1HG2 ILE 32 2.739 3.290 6.278 217 HG22 ILE 32 2HG2 ILE 32 1.696 3.363 4.858 218 HG23 ILE 32 3HG2 ILE 32 2.646 4.772 5.324 219 HD11 ILE 32 3HD1 ILE 32 2.179 7.079 6.745 220 HD12 ILE 32 1HD1 ILE 32 0.586 7.807 6.954 221 HD13 ILE 32 2HD1 ILE 32 1.139 6.559 8.072 222 H ALA 33 H ALA 33 -1.695 3.813 4.376 223 HA ALA 33 HA ALA 33 -0.436 1.646 2.913 224 HB1 ALA 33 1HB ALA 33 -1.950 0.099 3.343 225 HB2 ALA 33 2HB ALA 33 -2.804 1.219 4.406 226 HB3 ALA 33 3HB ALA 33 -3.213 1.143 2.691 227 H CYS 34 H CYS 34 -1.789 1.262 0.821 228 HA CYS 34 HA CYS 34 -2.675 3.862 -0.236 229 HB2 CYS 34 2HB CYS 34 -0.404 2.883 -1.076 230 HB3 CYS 34 1HB CYS 34 -1.416 1.750 -1.966 231 H CYS 35 H CYS 35 -4.628 3.861 -1.198 232 HA CYS 35 HA CYS 35 -6.018 1.276 -1.371 233 HB2 CYS 35 2HB CYS 35 -6.888 4.105 -0.966 234 HB3 CYS 35 1HB CYS 35 -8.006 3.000 -1.760 235 H ASN 36 H ASN 36 -6.289 0.392 -3.298 236 HA ASN 36 HA ASN 36 -5.963 2.100 -5.668 237 HB2 ASN 36 2HB ASN 36 -4.149 0.444 -5.355 238 HB3 ASN 36 1HB ASN 36 -5.344 -0.850 -5.378 239 HD21 ASN 36 1HD2 ASN 36 -6.111 -1.573 -7.292 240 HD22 ASN 36 2HD2 ASN 36 -5.560 -1.001 -8.831 241 H SER 37 H SER 37 -7.310 1.772 -7.431 242 HA SER 37 HA SER 37 -9.978 1.245 -6.944 243 HB2 SER 37 2HB SER 37 -8.517 1.066 -9.595 244 HB3 SER 37 1HB SER 37 -10.257 1.255 -9.388 245 HG SER 37 HG SER 37 -8.208 3.095 -8.671 246 HA PRO 38 HA PRO 38 -10.288 -3.058 -6.279 247 HB2 PRO 38 2HB PRO 38 -12.917 -2.839 -7.651 248 HB3 PRO 38 1HB PRO 38 -12.529 -3.468 -6.047 249 HG2 PRO 38 2HG PRO 38 -13.680 -1.079 -6.339 250 HG3 PRO 38 1HG PRO 38 -12.452 -1.365 -5.092 251 HD2 PRO 38 2HD PRO 38 -12.221 0.074 -7.696 252 HD3 PRO 38 1HD PRO 38 -11.441 0.417 -6.137 253 H ALA 39 H ALA 39 -11.218 -1.940 -9.513 254 HA ALA 39 HA ALA 39 -11.317 -4.523 -10.660 255 HB1 ALA 39 1HB ALA 39 -12.082 -2.045 -11.474 256 HB2 ALA 39 2HB ALA 39 -10.654 -2.318 -12.474 257 HB3 ALA 39 3HB ALA 39 -11.993 -3.463 -12.521 258 H GLU 40 H GLU 40 -8.683 -2.527 -9.819 259 HA GLU 40 HA GLU 40 -6.897 -4.006 -11.618 260 HB2 GLU 40 2HB GLU 40 -6.082 -1.668 -9.902 261 HB3 GLU 40 1HB GLU 40 -5.272 -2.309 -11.327 262 HG2 GLU 40 2HG GLU 40 -7.990 -1.032 -11.423 263 HG3 GLU 40 1HG GLU 40 -6.492 -0.129 -11.625 264 H THR 41 H THR 41 -7.460 -3.169 -8.243 265 HA THR 41 HA THR 41 -5.382 -4.659 -7.082 266 HB THR 41 HB THR 41 -8.083 -4.372 -5.794 267 HG1 THR 41 1HG THR 41 -7.420 -2.202 -5.241 268 HG21 THR 41 3HG2 THR 41 -5.356 -3.876 -4.631 269 HG22 THR 41 1HG2 THR 41 -6.101 -5.476 -4.653 270 HG23 THR 41 2HG2 THR 41 -6.876 -4.149 -3.780 271 H ASN 42 H ASN 42 -8.488 -5.572 -8.375 272 HA ASN 42 HA ASN 42 -8.137 -8.331 -7.427 273 HB2 ASN 42 2HB ASN 42 -10.449 -6.613 -7.943 274 HB3 ASN 42 1HB ASN 42 -10.592 -8.213 -8.656 275 HD21 ASN 42 1HD2 ASN 42 -9.015 -7.184 -5.690 276 HD22 ASN 42 2HD2 ASN 42 -9.971 -8.155 -4.624 277 H ASN 43 H ASN 43 -6.981 -6.757 -9.847 278 HA ASN 43 HA ASN 43 -7.997 -7.908 -12.203 279 HB2 ASN 43 2HB ASN 43 -6.209 -5.976 -11.752 280 HB3 ASN 43 1HB ASN 43 -5.091 -7.298 -12.082 281 HD21 ASN 43 1HD2 ASN 43 -7.158 -4.981 -13.378 282 HD22 ASN 43 2HD2 ASN 43 -7.061 -5.466 -15.037 283 H ASP 44 H ASP 44 -5.378 -8.916 -10.065 284 HA ASP 44 HA ASP 44 -5.221 -11.481 -11.460 285 HB2 ASP 44 2HB ASP 44 -3.129 -10.191 -10.695 286 HB3 ASP 44 1HB ASP 44 -3.581 -10.651 -9.055 287 H SER 45 H SER 45 -6.180 -13.262 -10.668 288 HA SER 45 HA SER 45 -7.945 -13.063 -8.453 289 HB2 SER 45 2HB SER 45 -7.001 -15.523 -9.941 290 HB3 SER 45 1HB SER 45 -8.407 -15.430 -8.877 291 HG SER 45 HG SER 45 -9.346 -13.954 -10.312 292 H LEU 46 H LEU 46 -4.654 -14.021 -8.870 293 HA LEU 46 HA LEU 46 -4.373 -15.336 -6.330 294 HB2 LEU 46 2HB LEU 46 -2.846 -15.323 -8.521 295 HB3 LEU 46 1HB LEU 46 -2.064 -14.007 -7.669 296 HG LEU 46 HG LEU 46 -2.097 -15.827 -5.703 297 HD11 LEU 46 1HD1 LEU 46 -1.529 -18.028 -6.627 298 HD12 LEU 46 2HD1 LEU 46 -3.176 -17.549 -7.037 299 HD13 LEU 46 3HD1 LEU 46 -1.897 -17.434 -8.246 300 HD21 LEU 46 3HD2 LEU 46 0.203 -16.524 -7.029 301 HD22 LEU 46 1HD2 LEU 46 -0.186 -14.950 -7.719 302 HD23 LEU 46 2HD2 LEU 46 0.009 -15.121 -5.976 303 H LEU 47 H LEU 47 -4.125 -12.079 -7.574 304 HA LEU 47 HA LEU 47 -2.882 -10.876 -5.342 305 HB2 LEU 47 2HB LEU 47 -3.682 -10.025 -7.818 306 HB3 LEU 47 1HB LEU 47 -4.838 -9.207 -6.774 307 HG LEU 47 HG LEU 47 -1.975 -9.044 -5.998 308 HD11 LEU 47 1HD1 LEU 47 -1.296 -8.371 -8.002 309 HD12 LEU 47 2HD1 LEU 47 -2.945 -8.232 -8.613 310 HD13 LEU 47 3HD1 LEU 47 -2.231 -6.906 -7.697 311 HD21 LEU 47 3HD2 LEU 47 -2.607 -6.825 -5.310 312 HD22 LEU 47 1HD2 LEU 47 -4.166 -6.974 -6.121 313 HD23 LEU 47 2HD2 LEU 47 -3.805 -7.977 -4.715 314 H SER 48 H SER 48 -6.189 -11.711 -6.076 315 HA SER 48 HA SER 48 -7.479 -10.239 -4.073 316 HB2 SER 48 2HB SER 48 -8.469 -11.559 -6.057 317 HB3 SER 48 1HB SER 48 -8.413 -12.956 -4.980 318 HG SER 48 HG SER 48 -9.656 -11.637 -3.480 319 H GLY 49 H GLY 49 -5.551 -13.113 -3.892 320 HA2 GLY 49 1HA GLY 49 -6.296 -13.434 -1.055 321 HA3 GLY 49 2HA GLY 49 -5.470 -14.644 -2.029 322 H LEU 50 H LEU 50 -4.002 -12.036 -3.042 323 HA LEU 50 HA LEU 50 -1.718 -12.404 -1.319 324 HB2 LEU 50 2HB LEU 50 -2.207 -11.522 -3.992 325 HB3 LEU 50 1HB LEU 50 -1.307 -10.275 -3.152 326 HG LEU 50 HG LEU 50 0.456 -11.862 -2.616 327 HD11 LEU 50 1HD1 LEU 50 0.263 -14.130 -3.873 328 HD12 LEU 50 2HD1 LEU 50 -0.522 -13.925 -2.304 329 HD13 LEU 50 3HD1 LEU 50 -1.470 -13.817 -3.786 330 HD21 LEU 50 3HD2 LEU 50 0.973 -12.544 -5.098 331 HD22 LEU 50 1HD2 LEU 50 -0.419 -11.517 -5.445 332 HD23 LEU 50 2HD2 LEU 50 0.983 -10.850 -4.609 333 H LEU 51 H LEU 51 -4.290 -10.133 -1.727 334 HA LEU 51 HA LEU 51 -3.052 -8.026 -0.226 335 HB2 LEU 51 2HB LEU 51 -5.508 -7.233 -0.051 336 HB3 LEU 51 1HB LEU 51 -4.709 -7.203 -1.610 337 HG LEU 51 HG LEU 51 -5.867 -9.654 -1.701 338 HD11 LEU 51 1HD1 LEU 51 -8.236 -9.252 -0.939 339 HD12 LEU 51 2HD1 LEU 51 -7.054 -9.543 0.337 340 HD13 LEU 51 3HD1 LEU 51 -7.610 -7.901 0.008 341 HD21 LEU 51 3HD2 LEU 51 -7.814 -8.237 -2.816 342 HD22 LEU 51 1HD2 LEU 51 -6.620 -6.950 -2.648 343 HD23 LEU 51 2HD2 LEU 51 -6.224 -8.407 -3.560 344 H GLY 52 H GLY 52 -4.944 -10.844 0.487 345 HA2 GLY 52 1HA GLY 52 -5.305 -10.005 3.267 346 HA3 GLY 52 2HA GLY 52 -6.097 -11.366 2.488 347 H ALA 53 H ALA 53 -3.043 -10.200 3.800 348 HA ALA 53 HA ALA 53 -1.788 -12.786 3.728 349 HB1 ALA 53 1HB ALA 53 0.105 -11.726 4.410 350 HB2 ALA 53 2HB ALA 53 -0.781 -10.290 3.894 351 HB3 ALA 53 3HB ALA 53 -0.744 -10.741 5.600 352 H GLY 54 H GLY 54 -4.174 -11.426 5.548 353 HA2 GLY 54 1HA GLY 54 -4.044 -13.602 7.466 354 HA3 GLY 54 2HA GLY 54 -4.041 -11.974 8.139 355 H LEU 55 H LEU 55 -6.009 -11.475 8.866 356 HA LEU 55 HA LEU 55 -8.338 -12.409 7.328 357 HB2 LEU 55 2HB LEU 55 -9.050 -11.290 9.879 358 HB3 LEU 55 1HB LEU 55 -9.331 -12.907 9.266 359 HG LEU 55 HG LEU 55 -6.633 -12.230 10.357 360 HD11 LEU 55 1HD1 LEU 55 -7.983 -11.406 12.115 361 HD12 LEU 55 2HD1 LEU 55 -9.109 -12.756 11.974 362 HD13 LEU 55 3HD1 LEU 55 -7.481 -13.029 12.587 363 HD21 LEU 55 3HD2 LEU 55 -7.778 -14.497 9.299 364 HD22 LEU 55 1HD2 LEU 55 -6.325 -14.439 10.301 365 HD23 LEU 55 2HD2 LEU 55 -7.896 -14.760 11.039 366 H LEU 56 H LEU 56 -7.355 -10.445 6.037 367 HA LEU 56 HA LEU 56 -7.863 -7.850 7.175 368 HB2 LEU 56 2HB LEU 56 -6.413 -8.950 4.933 369 HB3 LEU 56 1HB LEU 56 -7.355 -7.557 4.449 370 HG LEU 56 HG LEU 56 -5.219 -7.662 6.571 371 HD11 LEU 56 1HD1 LEU 56 -4.224 -5.895 5.088 372 HD12 LEU 56 2HD1 LEU 56 -4.279 -7.518 4.398 373 HD13 LEU 56 3HD1 LEU 56 -5.457 -6.305 3.895 374 HD21 LEU 56 3HD2 LEU 56 -7.337 -5.637 6.021 375 HD22 LEU 56 1HD2 LEU 56 -6.657 -6.171 7.558 376 HD23 LEU 56 2HD2 LEU 56 -5.733 -5.090 6.513 377 H ASN 57 H ASN 57 -8.997 -6.207 5.835 378 HA ASN 57 HA ASN 57 -11.314 -7.261 4.390 379 HB2 ASN 57 2HB ASN 57 -11.712 -6.406 6.843 380 HB3 ASN 57 1HB ASN 57 -11.531 -4.813 6.119 381 HD21 ASN 57 1HD2 ASN 57 -13.840 -5.383 7.324 382 HD22 ASN 57 2HD2 ASN 57 -15.092 -5.645 6.174 383 H GLY 58 H GLY 58 -12.420 -5.079 3.421 384 HA2 GLY 58 1HA GLY 58 -10.251 -4.013 1.744 385 HA3 GLY 58 2HA GLY 58 -11.944 -4.102 1.287 386 H LEU 59 H LEU 59 -12.541 -2.080 0.906 387 HA LEU 59 HA LEU 59 -11.527 0.141 2.429 388 HB2 LEU 59 2HB LEU 59 -12.111 0.093 -0.067 389 HB3 LEU 59 1HB LEU 59 -13.785 0.196 0.435 390 HG LEU 59 HG LEU 59 -13.513 2.375 1.290 391 HD11 LEU 59 1HD1 LEU 59 -11.620 2.557 2.526 392 HD12 LEU 59 2HD1 LEU 59 -10.646 1.648 1.369 393 HD13 LEU 59 3HD1 LEU 59 -11.040 3.338 1.052 394 HD21 LEU 59 3HD2 LEU 59 -11.813 2.234 -1.192 395 HD22 LEU 59 1HD2 LEU 59 -13.576 2.205 -1.168 396 HD23 LEU 59 2HD2 LEU 59 -12.710 3.634 -0.600 397 H SER 60 H SER 60 -12.812 1.574 3.681 398 HA SER 60 HA SER 60 -14.583 0.356 5.470 399 HB2 SER 60 2HB SER 60 -13.166 2.653 5.483 400 HB3 SER 60 1HB SER 60 -14.765 3.303 5.150 401 HG SER 60 HG SER 60 -14.087 1.580 7.312 402 H GLY 61 H GLY 61 -16.234 -0.664 4.324 403 HA2 GLY 61 1HA GLY 61 -18.585 -0.529 3.993 404 HA3 GLY 61 2HA GLY 61 -18.399 1.148 3.506 405 H ASN 62 H ASN 62 -15.968 -0.437 1.975 406 HA ASN 62 HA ASN 62 -17.668 -1.051 -0.350 407 HB2 ASN 62 2HB ASN 62 -16.305 1.143 -0.429 408 HB3 ASN 62 1HB ASN 62 -14.900 0.098 -0.624 409 HD21 ASN 62 1HD2 ASN 62 -14.336 0.370 -2.673 410 HD22 ASN 62 2HD2 ASN 62 -15.380 0.146 -4.030 411 H THR 63 H THR 63 -17.625 -3.218 -0.385 412 HA THR 63 HA THR 63 -15.273 -4.719 0.280 413 HB THR 63 HB THR 63 -17.101 -6.418 -0.995 414 HG1 THR 63 1HG THR 63 -19.068 -5.817 0.106 415 HG21 THR 63 3HG2 THR 63 -17.501 -6.210 1.876 416 HG22 THR 63 1HG2 THR 63 -15.790 -6.210 1.441 417 HG23 THR 63 2HG2 THR 63 -16.831 -7.534 0.923 418 H GLY 64 H GLY 64 -13.948 -3.629 -1.417 419 HA2 GLY 64 1HA GLY 64 -13.642 -5.364 -3.665 420 HA3 GLY 64 2HA GLY 64 -14.283 -3.798 -4.146 421 H SER 65 H SER 65 -13.006 -1.978 -2.787 422 HA SER 65 HA SER 65 -10.321 -2.080 -3.763 423 HB2 SER 65 2HB SER 65 -10.813 0.136 -1.981 424 HB3 SER 65 1HB SER 65 -10.549 0.149 -3.725 425 HG SER 65 HG SER 65 -12.570 0.889 -3.579 426 H ALA 66 H ALA 66 -9.670 -3.952 -2.473 427 HA ALA 66 HA ALA 66 -9.222 -3.619 0.335 428 HB1 ALA 66 1HB ALA 66 -7.656 -5.592 -0.009 429 HB2 ALA 66 2HB ALA 66 -9.352 -5.855 -0.420 430 HB3 ALA 66 3HB ALA 66 -8.168 -5.573 -1.696 431 H CYS 67 H CYS 67 -7.599 -2.503 1.285 432 HA CYS 67 HA CYS 67 -5.488 -1.481 -0.487 433 HB2 CYS 67 2HB CYS 67 -6.353 -0.206 2.103 434 HB3 CYS 67 1HB CYS 67 -5.470 0.525 0.762 435 H ALA 68 H ALA 68 -3.435 -1.909 -0.026 436 HA ALA 68 HA ALA 68 -2.933 -3.537 2.361 437 HB1 ALA 68 1HB ALA 68 -2.596 -4.662 0.202 438 HB2 ALA 68 2HB ALA 68 -1.382 -3.452 -0.220 439 HB3 ALA 68 3HB ALA 68 -1.104 -4.545 1.137 440 H LYS 69 H LYS 69 -1.125 -3.178 3.615 441 HA LYS 69 HA LYS 69 -0.134 -0.423 3.436 442 HB2 LYS 69 2HB LYS 69 0.562 -1.390 5.942 443 HB3 LYS 69 1HB LYS 69 -0.794 -0.333 5.572 444 HG2 LYS 69 2HG LYS 69 -1.124 -3.287 5.337 445 HG3 LYS 69 1HG LYS 69 -1.146 -2.526 6.926 446 HD2 LYS 69 2HD LYS 69 -3.142 -1.510 6.563 447 HD3 LYS 69 1HD LYS 69 -2.823 -1.256 4.845 448 HE2 LYS 69 2HE LYS 69 -4.666 -2.848 5.279 449 HE3 LYS 69 1HE LYS 69 -3.337 -3.548 4.355 450 HZ1 LYS 69 3HZ LYS 69 -2.492 -4.463 6.491 451 HZ2 LYS 69 1HZ LYS 69 -3.978 -5.104 5.998 452 HZ3 LYS 69 2HZ LYS 69 -3.933 -3.948 7.229 453 H ALA 70 H ALA 70 2.060 -0.425 4.928 454 HA ALA 70 HA ALA 70 4.041 -1.337 3.199 455 HB1 ALA 70 1HB ALA 70 4.386 0.492 4.768 456 HB2 ALA 70 2HB ALA 70 4.324 -0.647 6.114 457 HB3 ALA 70 3HB ALA 70 5.634 -0.744 4.937 458 H SER 71 H SER 71 2.510 -2.930 5.898 459 HA SER 71 HA SER 71 4.389 -4.980 6.317 460 HB2 SER 71 2HB SER 71 1.904 -6.087 6.864 461 HB3 SER 71 1HB SER 71 2.909 -5.186 8.001 462 HG SER 71 HG SER 71 0.515 -4.527 7.037 463 H LEU 72 H LEU 72 1.608 -4.674 4.189 464 HA LEU 72 HA LEU 72 1.843 -7.310 3.093 465 HB2 LEU 72 2HB LEU 72 0.052 -5.030 2.864 466 HB3 LEU 72 1HB LEU 72 0.359 -5.794 1.315 467 HG LEU 72 HG LEU 72 -1.588 -6.784 2.209 468 HD11 LEU 72 1HD1 LEU 72 -0.886 -9.142 2.538 469 HD12 LEU 72 2HD1 LEU 72 -0.153 -8.370 1.131 470 HD13 LEU 72 3HD1 LEU 72 0.786 -8.587 2.608 471 HD21 LEU 72 3HD2 LEU 72 -0.278 -6.349 4.697 472 HD22 LEU 72 1HD2 LEU 72 -1.955 -6.814 4.402 473 HD23 LEU 72 2HD2 LEU 72 -0.710 -8.054 4.578 474 H ILE 73 H ILE 73 2.839 -4.070 2.209 475 HA ILE 73 HA ILE 73 3.580 -4.667 -0.429 476 HB ILE 73 HB ILE 73 4.205 -2.431 1.462 477 HG12 ILE 73 2HG1 ILE 73 3.295 -1.920 -1.285 478 HG13 ILE 73 1HG1 ILE 73 2.201 -2.919 -0.333 479 HG21 ILE 73 1HG2 ILE 73 5.878 -1.495 0.251 480 HG22 ILE 73 2HG2 ILE 73 6.210 -3.178 -0.159 481 HG23 ILE 73 3HG2 ILE 73 5.294 -2.164 -1.272 482 HD11 ILE 73 3HD1 ILE 73 2.501 -0.115 -0.304 483 HD12 ILE 73 1HD1 ILE 73 1.412 -1.118 0.655 484 HD13 ILE 73 2HD1 ILE 73 3.020 -0.727 1.267 485 H ASP 74 H ASP 74 5.316 -4.789 2.634 486 HA ASP 74 HA ASP 74 7.838 -5.527 1.525 487 HB2 ASP 74 2HB ASP 74 7.350 -4.554 3.855 488 HB3 ASP 74 1HB ASP 74 6.885 -6.190 4.304 489 H GLN 75 H GLN 75 5.056 -7.303 2.771 490 HA GLN 75 HA GLN 75 6.418 -9.825 2.821 491 HB2 GLN 75 2HB GLN 75 4.067 -8.792 3.927 492 HB3 GLN 75 1HB GLN 75 3.538 -10.057 2.824 493 HG2 GLN 75 2HG GLN 75 3.843 -11.277 4.716 494 HG3 GLN 75 1HG GLN 75 5.441 -11.432 3.991 495 HE21 GLN 75 1HE2 GLN 75 5.353 -8.336 4.881 496 HE22 GLN 75 2HE2 GLN 75 6.001 -8.446 6.474 497 H LEU 76 H LEU 76 3.828 -8.478 0.766 498 HA LEU 76 HA LEU 76 4.148 -10.822 -0.981 499 HB2 LEU 76 2HB LEU 76 1.829 -9.191 -0.150 500 HB3 LEU 76 1HB LEU 76 1.836 -9.692 -1.829 501 HG LEU 76 HG LEU 76 0.640 -11.394 -0.832 502 HD11 LEU 76 1HD1 LEU 76 3.523 -12.245 -0.797 503 HD12 LEU 76 2HD1 LEU 76 2.172 -13.361 -0.599 504 HD13 LEU 76 3HD1 LEU 76 2.348 -12.448 -2.100 505 HD21 LEU 76 3HD2 LEU 76 1.156 -12.393 1.333 506 HD22 LEU 76 1HD2 LEU 76 2.558 -11.337 1.497 507 HD23 LEU 76 2HD2 LEU 76 0.934 -10.651 1.477 508 H GLY 77 H GLY 77 3.724 -7.293 -1.061 509 HA2 GLY 77 1HA GLY 77 4.688 -5.780 -2.531 510 HA3 GLY 77 2HA GLY 77 5.518 -7.122 -3.309 511 H LEU 78 H LEU 78 2.083 -6.334 -2.856 512 HA LEU 78 HA LEU 78 1.269 -7.288 -5.372 513 HB2 LEU 78 2HB LEU 78 -0.501 -5.239 -4.436 514 HB3 LEU 78 1HB LEU 78 -0.754 -6.973 -4.492 515 HG LEU 78 HG LEU 78 0.700 -6.917 -2.279 516 HD11 LEU 78 1HD1 LEU 78 0.990 -4.944 -1.283 517 HD12 LEU 78 2HD1 LEU 78 0.547 -4.212 -2.826 518 HD13 LEU 78 3HD1 LEU 78 -0.681 -4.463 -1.584 519 HD21 LEU 78 3HD2 LEU 78 -1.243 -7.321 -1.165 520 HD22 LEU 78 1HD2 LEU 78 -2.064 -5.929 -1.871 521 HD23 LEU 78 2HD2 LEU 78 -1.865 -7.407 -2.813 522 H LEU 79 H LEU 79 2.054 -6.470 -7.221 523 HA LEU 79 HA LEU 79 2.930 -3.785 -7.524 524 HB2 LEU 79 2HB LEU 79 3.042 -4.461 -9.989 525 HB3 LEU 79 1HB LEU 79 4.063 -5.319 -8.852 526 HG LEU 79 HG LEU 79 1.813 -6.894 -8.908 527 HD11 LEU 79 1HD1 LEU 79 1.222 -7.215 -11.242 528 HD12 LEU 79 2HD1 LEU 79 0.896 -5.552 -10.760 529 HD13 LEU 79 3HD1 LEU 79 2.326 -5.923 -11.720 530 HD21 LEU 79 3HD2 LEU 79 3.197 -8.485 -9.915 531 HD22 LEU 79 1HD2 LEU 79 4.086 -7.269 -10.832 532 HD23 LEU 79 2HD2 LEU 79 4.323 -7.408 -9.089 533 H ALA 80 H ALA 80 -0.155 -5.046 -7.539 534 HA ALA 80 HA ALA 80 -1.229 -3.206 -9.507 535 HB1 ALA 80 1HB ALA 80 -3.132 -4.498 -7.707 536 HB2 ALA 80 2HB ALA 80 -3.076 -4.470 -9.470 537 HB3 ALA 80 3HB ALA 80 -2.088 -5.622 -8.573 538 H LEU 81 H LEU 81 -0.313 -3.120 -6.275 539 HA LEU 81 HA LEU 81 -2.242 -0.992 -5.642 540 HB2 LEU 81 2HB LEU 81 -2.057 -3.118 -4.203 541 HB3 LEU 81 1HB LEU 81 -0.542 -2.444 -3.634 542 HG LEU 81 HG LEU 81 -2.450 -0.394 -3.356 543 HD11 LEU 81 1HD1 LEU 81 -3.755 -2.106 -1.617 544 HD12 LEU 81 2HD1 LEU 81 -4.405 -1.431 -3.113 545 HD13 LEU 81 3HD1 LEU 81 -3.644 -3.022 -3.120 546 HD21 LEU 81 3HD2 LEU 81 -1.930 -1.813 -0.909 547 HD22 LEU 81 1HD2 LEU 81 -0.461 -1.689 -1.880 548 HD23 LEU 81 2HD2 LEU 81 -1.349 -0.233 -1.437 549 H VAL 82 H VAL 82 1.165 -1.823 -5.758 550 HA VAL 82 HA VAL 82 1.802 0.949 -5.006 551 HB VAL 82 HB VAL 82 4.093 -0.852 -5.244 552 HG11 VAL 82 1HG1 VAL 82 4.407 1.280 -4.290 553 HG12 VAL 82 2HG1 VAL 82 3.053 1.066 -3.179 554 HG13 VAL 82 3HG1 VAL 82 4.529 0.127 -2.959 555 HG21 VAL 82 3HG2 VAL 82 2.579 -2.528 -4.408 556 HG22 VAL 82 1HG2 VAL 82 3.669 -2.033 -3.113 557 HG23 VAL 82 2HG2 VAL 82 2.008 -1.437 -3.146 558 H ASP 83 H ASP 83 2.803 2.254 -6.390 559 HA ASP 83 HA ASP 83 3.425 1.201 -9.050 560 HB2 ASP 83 2HB ASP 83 1.937 3.255 -8.719 561 HB3 ASP 83 1HB ASP 83 3.396 4.113 -8.237 562 H HIS 84 H HIS 84 5.424 2.614 -10.029 563 HA HIS 84 HA HIS 84 7.571 2.578 -8.052 564 HB2 HIS 84 2HB HIS 84 7.095 0.408 -9.779 565 HB3 HIS 84 1HB HIS 84 8.498 1.256 -10.431 566 HD1 HIS 84 1HD HIS 84 7.302 -0.276 -7.182 567 HD2 HIS 84 2HD HIS 84 10.828 0.773 -9.110 568 HE1 HIS 84 1HE HIS 84 9.151 -1.084 -5.686 569 HE2 HIS 84 2HE HIS 84 11.291 -0.368 -6.831 570 H THR 85 H THR 85 8.423 4.506 -8.241 571 HA THR 85 HA THR 85 9.016 5.537 -10.938 572 HB THR 85 HB THR 85 9.142 7.794 -9.579 573 HG1 THR 85 1HG THR 85 7.066 6.622 -8.099 574 HG21 THR 85 3HG2 THR 85 7.513 8.079 -11.087 575 HG22 THR 85 1HG2 THR 85 6.393 7.607 -9.810 576 HG23 THR 85 2HG2 THR 85 6.985 6.404 -10.954 577 H GLU 86 H GLU 86 10.759 7.538 -10.240 578 HA GLU 86 HA GLU 86 13.187 6.148 -9.782 579 HB2 GLU 86 2HB GLU 86 13.519 8.944 -9.269 580 HB3 GLU 86 1HB GLU 86 14.041 8.013 -10.666 581 HG2 GLU 86 2HG GLU 86 12.739 9.641 -11.632 582 HG3 GLU 86 1HG GLU 86 11.592 8.315 -11.464 583 H GLU 87 H GLU 87 10.990 7.983 -7.775 584 HA GLU 87 HA GLU 87 12.740 8.002 -5.495 585 HB2 GLU 87 2HB GLU 87 9.952 8.916 -6.040 586 HB3 GLU 87 1HB GLU 87 10.465 8.709 -4.371 587 HG2 GLU 87 2HG GLU 87 12.347 10.252 -4.792 588 HG3 GLU 87 1HG GLU 87 11.747 10.495 -6.432 589 H GLY 88 H GLY 88 11.195 5.530 -6.905 590 HA2 GLY 88 1HA GLY 88 11.516 3.370 -5.908 591 HA3 GLY 88 2HA GLY 88 11.180 4.093 -4.342 592 HA PRO 89 HA PRO 89 7.241 2.045 -5.584 593 HB2 PRO 89 2HB PRO 89 6.694 0.998 -3.163 594 HB3 PRO 89 1HB PRO 89 7.805 0.204 -4.287 595 HG2 PRO 89 2HG PRO 89 8.429 1.952 -1.933 596 HG3 PRO 89 1HG PRO 89 9.183 0.421 -2.415 597 HD2 PRO 89 2HD PRO 89 10.288 2.845 -2.957 598 HD3 PRO 89 1HD PRO 89 10.511 1.429 -4.003 599 H VAL 90 H VAL 90 5.456 3.249 -5.586 600 HA VAL 90 HA VAL 90 5.021 5.131 -3.365 601 HB VAL 90 HB VAL 90 4.162 6.649 -5.397 602 HG11 VAL 90 1HG1 VAL 90 6.348 6.630 -3.639 603 HG12 VAL 90 2HG1 VAL 90 7.000 7.043 -5.226 604 HG13 VAL 90 3HG1 VAL 90 5.694 8.005 -4.530 605 HG21 VAL 90 3HG2 VAL 90 6.224 6.391 -7.064 606 HG22 VAL 90 1HG2 VAL 90 6.083 4.703 -6.568 607 HG23 VAL 90 2HG2 VAL 90 4.707 5.527 -7.309 608 H CYS 91 H CYS 91 2.799 6.254 -3.725 609 HA CYS 91 HA CYS 91 0.810 4.238 -3.728 610 HB2 CYS 91 2HB CYS 91 0.989 6.965 -2.963 611 HB3 CYS 91 1HB CYS 91 -0.349 6.835 -4.095 612 H LYS 92 H LYS 92 -0.006 3.286 -5.448 613 HA LYS 92 HA LYS 92 0.363 4.331 -8.087 614 HB2 LYS 92 2HB LYS 92 0.413 1.905 -7.530 615 HB3 LYS 92 1HB LYS 92 -1.303 1.983 -7.168 616 HG2 LYS 92 2HG LYS 92 -1.886 1.892 -9.315 617 HG3 LYS 92 1HG LYS 92 -0.608 3.004 -9.812 618 HD2 LYS 92 2HD LYS 92 1.015 1.129 -9.560 619 HD3 LYS 92 1HD LYS 92 -0.349 0.051 -9.264 620 HE2 LYS 92 2HE LYS 92 -0.449 -0.245 -11.471 621 HE3 LYS 92 1HE LYS 92 -1.042 1.412 -11.579 622 HZ1 LYS 92 3HZ LYS 92 1.605 0.342 -12.179 623 HZ2 LYS 92 1HZ LYS 92 1.551 1.888 -11.476 624 HZ3 LYS 92 2HZ LYS 92 0.742 1.586 -12.939 625 H ASN 93 H ASN 93 -2.102 4.454 -5.693 626 HA ASN 93 HA ASN 93 -3.880 5.811 -7.590 627 HB2 ASN 93 2HB ASN 93 -4.410 3.354 -6.096 628 HB3 ASN 93 1HB ASN 93 -5.638 4.587 -5.844 629 HD21 ASN 93 1HD2 ASN 93 -3.802 4.282 -8.808 630 HD22 ASN 93 2HD2 ASN 93 -5.115 3.722 -9.784 631 H ILE 94 H ILE 94 -5.079 5.143 -4.422 632 HA ILE 94 HA ILE 94 -4.676 7.991 -3.778 633 HB ILE 94 HB ILE 94 -6.828 8.178 -2.956 634 HG12 ILE 94 2HG1 ILE 94 -6.709 5.200 -2.534 635 HG13 ILE 94 1HG1 ILE 94 -6.978 6.469 -1.345 636 HG21 ILE 94 1HG2 ILE 94 -6.568 6.734 -5.429 637 HG22 ILE 94 2HG2 ILE 94 -8.090 6.327 -4.636 638 HG23 ILE 94 3HG2 ILE 94 -7.703 8.013 -4.992 639 HD11 ILE 94 3HD1 ILE 94 -8.881 5.109 -3.142 640 HD12 ILE 94 1HD1 ILE 94 -9.099 5.721 -1.501 641 HD13 ILE 94 2HD1 ILE 94 -9.151 6.831 -2.871 642 H VAL 95 H VAL 95 -4.311 8.582 -1.619 643 HA VAL 95 HA VAL 95 -2.836 6.608 -0.108 644 HB VAL 95 HB VAL 95 -3.426 9.304 1.041 645 HG11 VAL 95 1HG1 VAL 95 -2.028 7.732 2.264 646 HG12 VAL 95 2HG1 VAL 95 -0.932 7.615 0.888 647 HG13 VAL 95 3HG1 VAL 95 -1.093 9.141 1.761 648 HG21 VAL 95 3HG2 VAL 95 -2.841 9.329 -1.550 649 HG22 VAL 95 1HG2 VAL 95 -2.188 10.529 -0.434 650 HG23 VAL 95 2HG2 VAL 95 -1.204 9.150 -0.922 651 H ALA 96 H ALA 96 -3.337 5.840 1.977 652 HA ALA 96 HA ALA 96 -5.872 6.573 3.180 653 HB1 ALA 96 1HB ALA 96 -5.995 3.761 3.037 654 HB2 ALA 96 2HB ALA 96 -7.086 4.941 2.309 655 HB3 ALA 96 3HB ALA 96 -5.691 4.355 1.404 656 H CYS 97 H CYS 97 -6.291 5.203 5.164 657 HA CYS 97 HA CYS 97 -3.767 4.325 6.392 658 HB2 CYS 97 2HB CYS 97 -5.909 5.466 8.126 659 HB3 CYS 97 1HB CYS 97 -4.164 5.471 8.348 660 H CYS 98 H CYS 98 -3.871 2.200 6.610 661 HA CYS 98 HA CYS 98 -6.438 0.991 7.396 662 HB2 CYS 98 2HB CYS 98 -4.639 -0.578 5.644 663 HB3 CYS 98 1HB CYS 98 -6.400 -0.508 5.677 664 HA PRO 99 HA PRO 99 -3.862 -1.071 10.380 665 HB2 PRO 99 2HB PRO 99 -5.734 -2.515 11.590 666 HB3 PRO 99 1HB PRO 99 -5.807 -0.748 11.620 667 HG2 PRO 99 2HG PRO 99 -7.340 -2.669 9.915 668 HG3 PRO 99 1HG PRO 99 -7.908 -1.209 10.744 669 HD2 PRO 99 2HD PRO 99 -7.188 -1.353 8.065 670 HD3 PRO 99 1HD PRO 99 -7.276 0.139 9.023 671 H GLU 100 H GLU 100 -2.853 -3.068 10.779 672 HA GLU 100 HA GLU 100 -3.377 -5.210 8.867 673 HB2 GLU 100 2HB GLU 100 -1.017 -4.200 9.577 674 HB3 GLU 100 1HB GLU 100 -1.174 -5.385 10.868 675 HG2 GLU 100 2HG GLU 100 0.079 -6.171 8.863 676 HG3 GLU 100 1HG GLU 100 -1.292 -7.183 9.320 677 H GLY 101 H GLY 101 -4.723 -6.770 9.459 678 HA2 GLY 101 1HA GLY 101 -4.545 -8.631 11.294 679 HA3 GLY 101 2HA GLY 101 -5.128 -7.314 12.301 680 H THR 102 H THR 102 -7.099 -6.170 11.361 681 HA THR 102 HA THR 102 -8.885 -7.789 9.781 682 HB THR 102 HB THR 102 -10.302 -7.152 12.230 683 HG1 THR 102 1HG THR 102 -7.924 -8.667 12.398 684 HG21 THR 102 3HG2 THR 102 -11.372 -8.666 10.872 685 HG22 THR 102 1HG2 THR 102 -10.593 -9.757 12.018 686 HG23 THR 102 2HG2 THR 102 -9.874 -9.487 10.429 687 H THR 103 H THR 103 -11.168 -6.678 9.889 688 HA THR 103 HA THR 103 -12.486 -4.872 9.561 689 HB THR 103 HB THR 103 -10.507 -3.042 10.891 690 HG1 THR 103 1HG THR 103 -12.288 -4.805 12.275 691 HG21 THR 103 3HG2 THR 103 -13.380 -3.081 11.575 692 HG22 THR 103 1HG2 THR 103 -12.982 -2.576 9.934 693 HG23 THR 103 2HG2 THR 103 -12.300 -1.713 11.314 694 H ASN 104 H ASN 104 -12.486 -2.610 8.562 695 HA ASN 104 HA ASN 104 -11.040 -3.009 6.079 696 HB2 ASN 104 2HB ASN 104 -12.639 -1.141 5.313 697 HB3 ASN 104 1HB ASN 104 -13.316 -2.723 5.670 698 HD21 ASN 104 1HD2 ASN 104 -15.010 -2.788 6.968 699 HD22 ASN 104 2HD2 ASN 104 -15.522 -1.517 8.024 700 H CYS 105 H CYS 105 -10.778 -0.710 4.904 701 HA CYS 105 HA CYS 105 -8.907 0.765 6.634 702 HB2 CYS 105 2HB CYS 105 -7.688 -0.357 4.942 703 HB3 CYS 105 1HB CYS 105 -8.872 0.051 3.706 704 H VAL 106 H VAL 106 -8.815 3.048 6.440 705 HA VAL 106 HA VAL 106 -11.212 4.224 5.229 706 HB VAL 106 HB VAL 106 -11.160 5.956 6.799 707 HG11 VAL 106 1HG1 VAL 106 -10.986 4.885 8.983 708 HG12 VAL 106 2HG1 VAL 106 -11.769 3.818 7.816 709 HG13 VAL 106 3HG1 VAL 106 -10.084 3.553 8.262 710 HG21 VAL 106 3HG2 VAL 106 -8.359 5.762 6.577 711 HG22 VAL 106 1HG2 VAL 106 -9.293 6.980 7.446 712 HG23 VAL 106 2HG2 VAL 106 -8.744 5.526 8.282 713 H ALA 107 H ALA 107 -11.057 5.825 3.729 714 HA ALA 107 HA ALA 107 -8.343 6.544 2.837 715 HB1 ALA 107 1HB ALA 107 -10.392 5.183 1.413 716 HB2 ALA 107 2HB ALA 107 -10.157 6.763 0.666 717 HB3 ALA 107 3HB ALA 107 -8.791 5.660 0.849 718 H VAL 108 H VAL 108 -7.955 8.642 3.093 719 HA VAL 108 HA VAL 108 -10.211 10.518 2.800 720 HB VAL 108 HB VAL 108 -8.297 11.854 4.325 721 HG11 VAL 108 1HG1 VAL 108 -10.371 10.728 5.968 722 HG12 VAL 108 2HG1 VAL 108 -10.151 12.388 5.418 723 HG13 VAL 108 3HG1 VAL 108 -11.016 11.234 4.406 724 HG21 VAL 108 3HG2 VAL 108 -8.786 9.559 6.048 725 HG22 VAL 108 1HG2 VAL 108 -7.735 9.187 4.681 726 HG23 VAL 108 2HG2 VAL 108 -7.309 10.490 5.790 727 H ASP 109 H ASP 109 -8.189 9.524 0.860 728 HA ASP 109 HA ASP 109 -6.318 11.518 0.226 729 HB2 ASP 109 2HB ASP 109 -6.182 9.349 -0.825 730 HB3 ASP 109 1HB ASP 109 -7.787 9.534 -1.522 731 H ASN 110 H ASN 110 -9.526 10.917 -1.155 732 HA ASN 110 HA ASN 110 -11.256 12.278 -1.659 733 HB2 ASN 110 2HB ASN 110 -9.724 13.822 0.213 734 HB3 ASN 110 1HB ASN 110 -10.445 14.885 -0.991 735 HD21 ASN 110 1HD2 ASN 110 -11.532 11.878 0.541 736 HD22 ASN 110 2HD2 ASN 110 -13.021 12.516 1.146 737 H ALA 111 H ALA 111 -8.536 12.186 -3.285 738 HA ALA 111 HA ALA 111 -9.480 14.192 -5.233 739 HB1 ALA 111 1HB ALA 111 -7.134 14.431 -4.028 740 HB2 ALA 111 2HB ALA 111 -6.645 13.320 -5.308 741 HB3 ALA 111 3HB ALA 111 -7.365 14.877 -5.717 742 H GLY 112 H GLY 112 -7.930 11.061 -4.772 743 HA2 GLY 112 1HA GLY 112 -8.735 9.163 -6.067 744 HA3 GLY 112 2HA GLY 112 -8.958 10.258 -7.428 745 H ALA 113 H ALA 113 -6.203 11.100 -5.824 746 HA ALA 113 HA ALA 113 -4.352 9.228 -6.932 747 HB1 ALA 113 1HB ALA 113 -5.214 10.850 -8.851 748 HB2 ALA 113 2HB ALA 113 -4.001 11.920 -8.142 749 HB3 ALA 113 3HB ALA 113 -3.528 10.336 -8.756 750 H GLY 114 H GLY 114 -2.862 9.167 -5.407 751 HA2 GLY 114 1HA GLY 114 -2.562 11.053 -3.364 752 HA3 GLY 114 2HA GLY 114 -1.394 9.803 -3.758 753 H THR 115 H THR 115 -0.542 10.537 -6.219 754 HA THR 115 HA THR 115 0.955 11.811 -7.315 755 HB THR 115 HB THR 115 0.266 14.384 -6.047 756 HG1 THR 115 1HG THR 115 -1.765 13.159 -6.059 757 HG21 THR 115 3HG2 THR 115 1.425 14.716 -7.993 758 HG22 THR 115 1HG2 THR 115 -0.216 14.727 -8.641 759 HG23 THR 115 2HG2 THR 115 0.767 13.269 -8.756 760 H LYS 116 H LYS 116 2.872 11.153 -6.508 761 HA LYS 116 HA LYS 116 3.826 11.901 -3.923 762 HB2 LYS 116 2HB LYS 116 5.960 10.872 -4.681 763 HB3 LYS 116 1HB LYS 116 4.567 9.820 -4.872 764 HG2 LYS 116 2HG LYS 116 4.801 9.718 -7.102 765 HG3 LYS 116 1HG LYS 116 5.196 11.433 -7.236 766 HD2 LYS 116 2HD LYS 116 7.431 10.583 -6.041 767 HD3 LYS 116 1HD LYS 116 6.981 9.090 -6.869 768 HE2 LYS 116 2HE LYS 116 7.340 9.973 -8.939 769 HE3 LYS 116 1HE LYS 116 6.852 11.592 -8.450 770 HZ1 LYS 116 3HZ LYS 116 9.105 11.330 -7.058 771 HZ2 LYS 116 1HZ LYS 116 9.048 11.968 -8.630 772 HZ3 LYS 116 2HZ LYS 116 9.482 10.346 -8.396 773 H ALA 117 H ALA 117 3.960 13.300 -7.070 774 HA ALA 117 HA ALA 117 6.158 15.060 -6.596 775 HB1 ALA 117 1HB ALA 117 4.342 14.487 -8.744 776 HB2 ALA 117 2HB ALA 117 4.469 16.228 -8.506 777 HB3 ALA 117 3HB ALA 117 5.921 15.271 -8.798 778 H GLU 118 H GLU 118 6.188 16.736 -5.289 779 HA GLU 118 HA GLU 118 3.974 18.531 -5.021 780 HB2 GLU 118 2HB GLU 118 3.213 16.828 -3.470 781 HB3 GLU 118 1HB GLU 118 4.789 16.772 -2.699 782 HG2 GLU 118 2HG GLU 118 3.693 19.440 -2.639 783 HG3 GLU 118 1HG GLU 118 2.586 18.273 -1.922 Start of MODEL 3 1 H1 SER 1 1H SER 1 7.750 -8.011 8.808 2 H2 SER 1 2H SER 1 8.769 -8.755 7.692 3 H3 SER 1 3H SER 1 8.327 -7.128 7.483 4 HA SER 1 HA SER 1 9.687 -6.371 9.118 5 HB2 SER 1 2HB SER 1 10.589 -8.712 10.490 6 HB3 SER 1 1HB SER 1 9.651 -7.362 11.129 7 HG SER 1 HG SER 1 7.990 -8.640 11.195 8 H LEU 2 H LEU 2 10.310 -9.553 7.680 9 HA LEU 2 HA LEU 2 12.994 -8.574 6.944 10 HB2 LEU 2 2HB LEU 2 12.173 -11.035 8.269 11 HB3 LEU 2 1HB LEU 2 13.103 -11.348 6.816 12 HG LEU 2 HG LEU 2 14.547 -9.362 8.121 13 HD11 LEU 2 1HD1 LEU 2 12.890 -10.412 10.047 14 HD12 LEU 2 2HD1 LEU 2 14.375 -11.343 10.242 15 HD13 LEU 2 3HD1 LEU 2 14.420 -9.580 10.333 16 HD21 LEU 2 3HD2 LEU 2 15.677 -11.060 6.980 17 HD22 LEU 2 1HD2 LEU 2 16.062 -11.355 8.677 18 HD23 LEU 2 2HD2 LEU 2 14.840 -12.337 7.866 19 HA PRO 3 HA PRO 3 11.593 -9.186 2.800 20 HB2 PRO 3 2HB PRO 3 13.970 -9.222 1.509 21 HB3 PRO 3 1HB PRO 3 13.277 -7.748 2.193 22 HG2 PRO 3 2HG PRO 3 15.397 -9.537 3.312 23 HG3 PRO 3 1HG PRO 3 15.330 -7.766 3.284 24 HD2 PRO 3 2HD PRO 3 14.688 -9.232 5.481 25 HD3 PRO 3 1HD PRO 3 13.952 -7.659 5.121 26 H ALA 4 H ALA 4 11.002 -11.449 3.710 27 HA ALA 4 HA ALA 4 12.598 -13.677 2.963 28 HB1 ALA 4 1HB ALA 4 9.665 -14.004 3.032 29 HB2 ALA 4 2HB ALA 4 10.930 -14.944 3.821 30 HB3 ALA 4 3HB ALA 4 10.421 -13.403 4.506 31 H SER 5 H SER 5 10.163 -11.753 1.349 32 HA SER 5 HA SER 5 10.030 -13.383 -0.997 33 HB2 SER 5 2HB SER 5 9.246 -10.651 -1.459 34 HB3 SER 5 1HB SER 5 8.232 -12.092 -1.374 35 HG SER 5 HG SER 5 7.815 -10.385 0.231 36 H ALA 6 H ALA 6 10.899 -12.857 -3.061 37 HA ALA 6 HA ALA 6 13.523 -11.664 -2.914 38 HB1 ALA 6 1HB ALA 6 13.725 -12.415 -5.264 39 HB2 ALA 6 2HB ALA 6 13.264 -13.711 -4.160 40 HB3 ALA 6 3HB ALA 6 12.050 -12.969 -5.202 41 H ALA 7 H ALA 7 11.966 -9.636 -2.333 42 HA ALA 7 HA ALA 7 11.552 -8.134 -4.835 43 HB1 ALA 7 1HB ALA 7 10.291 -7.485 -2.182 44 HB2 ALA 7 2HB ALA 7 9.848 -6.885 -3.781 45 HB3 ALA 7 3HB ALA 7 9.548 -8.570 -3.358 46 H LYS 8 H LYS 8 13.833 -7.638 -4.826 47 HA LYS 8 HA LYS 8 14.747 -5.821 -2.734 48 HB2 LYS 8 2HB LYS 8 16.032 -7.654 -4.460 49 HB3 LYS 8 1HB LYS 8 16.586 -6.056 -4.938 50 HG2 LYS 8 2HG LYS 8 16.640 -6.247 -2.087 51 HG3 LYS 8 1HG LYS 8 17.477 -7.636 -2.786 52 HD2 LYS 8 2HD LYS 8 18.281 -5.406 -4.288 53 HD3 LYS 8 1HD LYS 8 18.334 -4.901 -2.594 54 HE2 LYS 8 2HE LYS 8 19.510 -7.248 -2.306 55 HE3 LYS 8 1HE LYS 8 19.882 -7.013 -4.014 56 HZ1 LYS 8 3HZ LYS 8 21.608 -6.183 -2.464 57 HZ2 LYS 8 1HZ LYS 8 20.504 -5.026 -1.898 58 HZ3 LYS 8 2HZ LYS 8 21.007 -4.994 -3.517 59 H ASN 9 H ASN 9 12.932 -5.617 -5.399 60 HA ASN 9 HA ASN 9 14.064 -3.130 -6.427 61 HB2 ASN 9 2HB ASN 9 12.412 -3.451 -8.284 62 HB3 ASN 9 1HB ASN 9 13.596 -4.742 -8.142 63 HD21 ASN 9 1HD2 ASN 9 11.128 -4.914 -9.487 64 HD22 ASN 9 2HD2 ASN 9 10.163 -6.107 -8.680 65 H ALA 10 H ALA 10 11.196 -4.420 -4.846 66 HA ALA 10 HA ALA 10 10.084 -1.692 -4.772 67 HB1 ALA 10 1HB ALA 10 8.773 -4.343 -5.144 68 HB2 ALA 10 2HB ALA 10 7.881 -3.044 -4.354 69 HB3 ALA 10 3HB ALA 10 8.497 -2.821 -5.992 70 H LYS 11 H LYS 11 10.512 -0.858 -2.821 71 HA LYS 11 HA LYS 11 9.661 -2.388 -0.471 72 HB2 LYS 11 2HB LYS 11 12.125 -0.697 -0.279 73 HB3 LYS 11 1HB LYS 11 11.588 -1.984 0.781 74 HG2 LYS 11 2HG LYS 11 12.837 -3.464 -0.306 75 HG3 LYS 11 1HG LYS 11 12.112 -3.015 -1.854 76 HD2 LYS 11 2HD LYS 11 14.089 -1.142 -0.683 77 HD3 LYS 11 1HD LYS 11 14.704 -2.670 -1.321 78 HE2 LYS 11 2HE LYS 11 13.256 -2.083 -3.393 79 HE3 LYS 11 1HE LYS 11 13.297 -0.447 -2.743 80 HZ1 LYS 11 3HZ LYS 11 15.837 -0.888 -2.646 81 HZ2 LYS 11 1HZ LYS 11 15.111 -0.448 -4.112 82 HZ3 LYS 11 2HZ LYS 11 15.497 -2.071 -3.812 83 H LEU 12 H LEU 12 9.123 -1.080 1.334 84 HA LEU 12 HA LEU 12 8.251 1.595 0.634 85 HB2 LEU 12 2HB LEU 12 7.220 -0.381 2.243 86 HB3 LEU 12 1HB LEU 12 7.925 0.711 3.414 87 HG LEU 12 HG LEU 12 5.531 1.147 3.014 88 HD11 LEU 12 1HD1 LEU 12 6.191 3.140 3.735 89 HD12 LEU 12 2HD1 LEU 12 7.688 3.064 2.794 90 HD13 LEU 12 3HD1 LEU 12 6.198 3.641 2.042 91 HD21 LEU 12 3HD2 LEU 12 6.181 2.271 0.332 92 HD22 LEU 12 1HD2 LEU 12 5.837 0.547 0.487 93 HD23 LEU 12 2HD2 LEU 12 4.633 1.735 0.984 94 H ALA 13 H ALA 13 11.014 0.185 1.846 95 HA ALA 13 HA ALA 13 11.688 2.221 3.777 96 HB1 ALA 13 1HB ALA 13 13.151 -0.176 2.710 97 HB2 ALA 13 2HB ALA 13 13.911 0.986 3.799 98 HB3 ALA 13 3HB ALA 13 12.490 0.083 4.326 99 H THR 14 H THR 14 11.791 2.053 0.444 100 HA THR 14 HA THR 14 13.983 4.018 0.340 101 HB THR 14 HB THR 14 13.419 2.521 -2.134 102 HG1 THR 14 1HG THR 14 14.910 1.199 -0.118 103 HG21 THR 14 3HG2 THR 14 15.419 3.387 -2.587 104 HG22 THR 14 1HG2 THR 14 16.131 2.416 -1.298 105 HG23 THR 14 2HG2 THR 14 15.520 4.035 -0.949 106 H SER 15 H SER 15 10.805 3.843 0.230 107 HA SER 15 HA SER 15 9.999 5.021 -2.175 108 HB2 SER 15 2HB SER 15 8.657 5.462 0.490 109 HB3 SER 15 1HB SER 15 7.919 5.378 -1.111 110 HG SER 15 HG SER 15 7.857 3.292 -0.963 111 H ALA 16 H ALA 16 10.745 6.517 0.974 112 HA ALA 16 HA ALA 16 11.312 8.616 1.596 113 HB1 ALA 16 1HB ALA 16 12.149 9.244 -1.208 114 HB2 ALA 16 2HB ALA 16 12.858 9.775 0.314 115 HB3 ALA 16 3HB ALA 16 13.068 8.110 -0.219 116 H ALA 17 H ALA 17 10.303 9.285 -1.750 117 HA ALA 17 HA ALA 17 8.948 11.666 -1.111 118 HB1 ALA 17 1HB ALA 17 8.009 10.335 -3.530 119 HB2 ALA 17 2HB ALA 17 8.796 11.900 -3.326 120 HB3 ALA 17 3HB ALA 17 9.766 10.429 -3.415 121 H PHE 18 H PHE 18 7.872 8.326 -1.212 122 HA PHE 18 HA PHE 18 5.090 8.786 -1.178 123 HB2 PHE 18 2HB PHE 18 5.996 6.559 -1.578 124 HB3 PHE 18 1HB PHE 18 6.691 6.521 0.038 125 HD1 PHE 18 1HD PHE 18 3.396 6.944 -1.658 126 HD2 PHE 18 2HD PHE 18 5.527 5.429 1.704 127 HE1 PHE 18 1HE PHE 18 1.328 5.918 -0.813 128 HE2 PHE 18 2HE PHE 18 3.458 4.400 2.556 129 HZ PHE 18 HZ PHE 18 1.357 4.646 1.293 130 H ALA 19 H ALA 19 7.503 8.688 1.384 131 HA ALA 19 HA ALA 19 5.645 8.957 3.525 132 HB1 ALA 19 1HB ALA 19 7.482 8.287 4.573 133 HB2 ALA 19 2HB ALA 19 8.507 8.752 3.215 134 HB3 ALA 19 3HB ALA 19 8.070 9.945 4.439 135 H LYS 20 H LYS 20 7.071 11.165 1.288 136 HA LYS 20 HA LYS 20 6.684 13.523 2.883 137 HB2 LYS 20 2HB LYS 20 7.044 13.275 -0.114 138 HB3 LYS 20 1HB LYS 20 7.198 14.752 0.830 139 HG2 LYS 20 2HG LYS 20 9.071 13.615 2.080 140 HG3 LYS 20 1HG LYS 20 9.007 12.351 0.848 141 HD2 LYS 20 2HD LYS 20 10.615 13.722 -0.045 142 HD3 LYS 20 1HD LYS 20 9.170 14.402 -0.792 143 HE2 LYS 20 2HE LYS 20 10.780 16.075 0.182 144 HE3 LYS 20 1HE LYS 20 9.113 16.208 0.735 145 HZ1 LYS 20 3HZ LYS 20 11.096 16.290 2.410 146 HZ2 LYS 20 1HZ LYS 20 10.993 14.600 2.319 147 HZ3 LYS 20 2HZ LYS 20 9.651 15.503 2.826 148 H GLN 21 H GLN 21 4.835 11.534 0.811 149 HA GLN 21 HA GLN 21 2.614 13.352 0.536 150 HB2 GLN 21 2HB GLN 21 3.451 11.052 -0.757 151 HB3 GLN 21 1HB GLN 21 2.081 10.493 0.191 152 HG2 GLN 21 2HG GLN 21 0.665 12.172 -0.837 153 HG3 GLN 21 1HG GLN 21 2.046 12.804 -1.729 154 HE21 GLN 21 1HE2 GLN 21 3.237 10.410 -2.482 155 HE22 GLN 21 2HE2 GLN 21 2.213 9.624 -3.630 156 H ALA 22 H ALA 22 3.535 10.584 2.477 157 HA ALA 22 HA ALA 22 1.021 10.323 3.787 158 HB1 ALA 22 1HB ALA 22 1.865 8.313 4.142 159 HB2 ALA 22 2HB ALA 22 3.453 8.849 3.598 160 HB3 ALA 22 3HB ALA 22 2.999 9.013 5.296 161 H GLU 23 H GLU 23 3.756 12.348 4.347 162 HA GLU 23 HA GLU 23 3.324 12.650 7.168 163 HB2 GLU 23 2HB GLU 23 4.951 14.452 7.054 164 HB3 GLU 23 1HB GLU 23 5.532 13.061 6.150 165 HG2 GLU 23 2HG GLU 23 5.583 14.185 4.226 166 HG3 GLU 23 1HG GLU 23 4.031 14.968 4.533 167 H GLY 24 H GLY 24 1.662 13.743 4.469 168 HA2 GLY 24 1HA GLY 24 0.769 16.245 5.630 169 HA3 GLY 24 2HA GLY 24 0.201 15.530 4.128 170 H THR 25 H THR 25 -0.162 12.951 5.738 171 HA THR 25 HA THR 25 -2.668 13.711 7.089 172 HB THR 25 HB THR 25 -2.432 11.056 5.737 173 HG1 THR 25 1HG THR 25 -1.853 12.826 4.220 174 HG21 THR 25 3HG2 THR 25 -4.943 11.988 5.288 175 HG22 THR 25 1HG2 THR 25 -4.550 12.807 6.799 176 HG23 THR 25 2HG2 THR 25 -4.474 11.047 6.707 177 H THR 26 H THR 26 -2.734 13.041 9.158 178 HA THR 26 HA THR 26 -0.522 11.643 10.254 179 HB THR 26 HB THR 26 -2.671 11.663 12.111 180 HG1 THR 26 1HG THR 26 -2.551 14.277 11.554 181 HG21 THR 26 3HG2 THR 26 -0.051 12.990 11.703 182 HG22 THR 26 1HG2 THR 26 -0.652 12.085 13.093 183 HG23 THR 26 2HG2 THR 26 -1.155 13.759 12.843 184 H CYS 27 H CYS 27 -0.367 9.597 9.457 185 HA CYS 27 HA CYS 27 -2.199 7.702 10.708 186 HB2 CYS 27 2HB CYS 27 -1.689 7.973 7.800 187 HB3 CYS 27 1HB CYS 27 -1.608 6.330 8.429 188 H ASN 28 H ASN 28 -1.185 5.610 11.068 189 HA ASN 28 HA ASN 28 1.568 6.068 11.840 190 HB2 ASN 28 2HB ASN 28 -0.165 3.643 12.376 191 HB3 ASN 28 1HB ASN 28 1.355 4.046 13.166 192 HD21 ASN 28 1HD2 ASN 28 1.183 4.972 15.081 193 HD22 ASN 28 2HD2 ASN 28 -0.179 5.886 15.649 194 H VAL 29 H VAL 29 3.270 4.534 11.384 195 HA VAL 29 HA VAL 29 3.473 4.030 8.643 196 HB VAL 29 HB VAL 29 5.454 2.495 9.447 197 HG11 VAL 29 1HG1 VAL 29 6.776 4.652 9.874 198 HG12 VAL 29 2HG1 VAL 29 5.952 4.481 8.325 199 HG13 VAL 29 3HG1 VAL 29 5.247 5.481 9.595 200 HG21 VAL 29 3HG2 VAL 29 6.217 2.787 11.624 201 HG22 VAL 29 1HG2 VAL 29 5.216 4.217 11.887 202 HG23 VAL 29 2HG2 VAL 29 4.473 2.617 11.837 203 H GLY 30 H GLY 30 2.737 1.818 11.314 204 HA2 GLY 30 1HA GLY 30 2.641 -0.500 9.622 205 HA3 GLY 30 2HA GLY 30 2.112 -0.404 11.295 206 H SER 31 H SER 31 0.543 2.076 10.041 207 HA SER 31 HA SER 31 -1.759 0.440 9.226 208 HB2 SER 31 2HB SER 31 -2.316 3.116 10.326 209 HB3 SER 31 1HB SER 31 -3.109 1.569 10.658 210 HG SER 31 HG SER 31 -1.081 1.087 11.869 211 H ILE 32 H ILE 32 0.501 2.188 7.868 212 HA ILE 32 HA ILE 32 -1.179 3.984 6.319 213 HB ILE 32 HB ILE 32 1.427 4.172 7.181 214 HG12 ILE 32 2HG1 ILE 32 0.762 5.805 4.822 215 HG13 ILE 32 1HG1 ILE 32 -0.448 5.798 6.101 216 HG21 ILE 32 1HG2 ILE 32 1.545 2.797 4.693 217 HG22 ILE 32 2HG2 ILE 32 2.202 4.420 4.486 218 HG23 ILE 32 3HG2 ILE 32 2.863 3.351 5.721 219 HD11 ILE 32 3HD1 ILE 32 2.104 6.136 7.291 220 HD12 ILE 32 1HD1 ILE 32 1.949 7.276 5.952 221 HD13 ILE 32 2HD1 ILE 32 0.744 7.262 7.244 222 H ALA 33 H ALA 33 -1.624 3.736 4.130 223 HA ALA 33 HA ALA 33 -0.823 1.241 2.862 224 HB1 ALA 33 1HB ALA 33 -3.743 1.670 3.052 225 HB2 ALA 33 2HB ALA 33 -2.821 0.168 2.942 226 HB3 ALA 33 3HB ALA 33 -2.902 1.046 4.473 227 H CYS 34 H CYS 34 -2.244 0.949 0.798 228 HA CYS 34 HA CYS 34 -3.060 3.471 -0.401 229 HB2 CYS 34 2HB CYS 34 -0.595 2.830 -0.986 230 HB3 CYS 34 1HB CYS 34 -1.340 1.618 -2.024 231 H CYS 35 H CYS 35 -4.729 3.228 -1.853 232 HA CYS 35 HA CYS 35 -5.750 0.482 -2.195 233 HB2 CYS 35 2HB CYS 35 -7.266 3.098 -2.138 234 HB3 CYS 35 1HB CYS 35 -7.987 1.518 -2.416 235 H ASN 36 H ASN 36 -6.845 0.015 -4.198 236 HA ASN 36 HA ASN 36 -6.490 1.932 -6.363 237 HB2 ASN 36 2HB ASN 36 -4.499 0.800 -6.778 238 HB3 ASN 36 1HB ASN 36 -5.123 -0.733 -6.188 239 HD21 ASN 36 1HD2 ASN 36 -5.396 1.579 -8.852 240 HD22 ASN 36 2HD2 ASN 36 -5.776 0.402 -10.068 241 H SER 37 H SER 37 -7.904 1.562 -8.130 242 HA SER 37 HA SER 37 -10.467 0.887 -7.635 243 HB2 SER 37 2HB SER 37 -9.847 0.137 -10.347 244 HB3 SER 37 1HB SER 37 -10.708 1.557 -9.747 245 HG SER 37 HG SER 37 -8.294 1.458 -10.817 246 HA PRO 38 HA PRO 38 -10.969 -3.303 -6.724 247 HB2 PRO 38 2HB PRO 38 -13.350 -3.189 -8.510 248 HB3 PRO 38 1HB PRO 38 -13.223 -3.740 -6.833 249 HG2 PRO 38 2HG PRO 38 -14.283 -1.374 -7.396 250 HG3 PRO 38 1HG PRO 38 -13.218 -1.573 -5.991 251 HD2 PRO 38 2HD PRO 38 -12.649 -0.335 -8.652 252 HD3 PRO 38 1HD PRO 38 -12.072 0.140 -7.041 253 H ALA 39 H ALA 39 -11.853 -2.751 -10.163 254 HA ALA 39 HA ALA 39 -11.452 -5.465 -10.846 255 HB1 ALA 39 1HB ALA 39 -12.281 -3.056 -12.203 256 HB2 ALA 39 2HB ALA 39 -11.261 -4.067 -13.223 257 HB3 ALA 39 3HB ALA 39 -12.724 -4.737 -12.506 258 H GLU 40 H GLU 40 -9.135 -3.105 -10.240 259 HA GLU 40 HA GLU 40 -7.204 -4.377 -12.040 260 HB2 GLU 40 2HB GLU 40 -6.878 -1.892 -10.352 261 HB3 GLU 40 1HB GLU 40 -5.699 -2.519 -11.492 262 HG2 GLU 40 2HG GLU 40 -6.925 -1.879 -13.326 263 HG3 GLU 40 1HG GLU 40 -8.446 -1.853 -12.433 264 H THR 41 H THR 41 -7.501 -3.399 -8.647 265 HA THR 41 HA THR 41 -5.260 -4.891 -7.764 266 HB THR 41 HB THR 41 -7.550 -3.494 -6.445 267 HG1 THR 41 1HG THR 41 -5.495 -2.498 -7.081 268 HG21 THR 41 3HG2 THR 41 -5.763 -4.525 -4.447 269 HG22 THR 41 1HG2 THR 41 -6.517 -5.853 -5.328 270 HG23 THR 41 2HG2 THR 41 -7.522 -4.639 -4.537 271 H ASN 42 H ASN 42 -8.646 -5.638 -8.203 272 HA ASN 42 HA ASN 42 -8.289 -8.288 -6.981 273 HB2 ASN 42 2HB ASN 42 -10.551 -6.449 -7.349 274 HB3 ASN 42 1HB ASN 42 -10.931 -8.139 -7.673 275 HD21 ASN 42 1HD2 ASN 42 -9.218 -6.160 -5.292 276 HD22 ASN 42 2HD2 ASN 42 -9.768 -7.042 -3.912 277 H ASN 43 H ASN 43 -7.511 -7.169 -9.751 278 HA ASN 43 HA ASN 43 -9.026 -8.471 -11.726 279 HB2 ASN 43 2HB ASN 43 -7.248 -6.672 -12.056 280 HB3 ASN 43 1HB ASN 43 -6.056 -7.956 -11.884 281 HD21 ASN 43 1HD2 ASN 43 -8.462 -6.528 -13.902 282 HD22 ASN 43 2HD2 ASN 43 -8.122 -7.460 -15.322 283 H ASP 44 H ASP 44 -6.223 -9.485 -9.844 284 HA ASP 44 HA ASP 44 -6.280 -12.107 -11.128 285 HB2 ASP 44 2HB ASP 44 -4.083 -10.980 -10.813 286 HB3 ASP 44 1HB ASP 44 -4.338 -11.034 -9.068 287 H SER 45 H SER 45 -6.815 -13.966 -10.085 288 HA SER 45 HA SER 45 -8.557 -13.851 -7.888 289 HB2 SER 45 2HB SER 45 -7.375 -16.458 -8.205 290 HB3 SER 45 1HB SER 45 -9.013 -15.928 -8.587 291 HG SER 45 HG SER 45 -8.155 -16.527 -10.505 292 H LEU 46 H LEU 46 -5.121 -14.724 -8.129 293 HA LEU 46 HA LEU 46 -4.862 -15.520 -5.409 294 HB2 LEU 46 2HB LEU 46 -3.168 -15.288 -7.733 295 HB3 LEU 46 1HB LEU 46 -2.350 -14.651 -6.319 296 HG LEU 46 HG LEU 46 -3.557 -17.128 -5.598 297 HD11 LEU 46 1HD1 LEU 46 -3.329 -17.318 -8.199 298 HD12 LEU 46 2HD1 LEU 46 -1.627 -17.569 -7.824 299 HD13 LEU 46 3HD1 LEU 46 -2.845 -18.656 -7.158 300 HD21 LEU 46 3HD2 LEU 46 -1.366 -17.683 -4.912 301 HD22 LEU 46 1HD2 LEU 46 -0.639 -16.573 -6.076 302 HD23 LEU 46 2HD2 LEU 46 -1.514 -15.940 -4.681 303 H LEU 47 H LEU 47 -4.500 -12.504 -7.146 304 HA LEU 47 HA LEU 47 -3.299 -10.954 -5.153 305 HB2 LEU 47 2HB LEU 47 -4.565 -10.513 -7.679 306 HB3 LEU 47 1HB LEU 47 -5.186 -9.348 -6.530 307 HG LEU 47 HG LEU 47 -3.193 -8.612 -7.896 308 HD11 LEU 47 1HD1 LEU 47 -3.277 -8.527 -4.907 309 HD12 LEU 47 2HD1 LEU 47 -1.997 -7.711 -5.804 310 HD13 LEU 47 3HD1 LEU 47 -3.681 -7.267 -6.072 311 HD21 LEU 47 3HD2 LEU 47 -2.109 -10.982 -7.325 312 HD22 LEU 47 1HD2 LEU 47 -1.139 -9.547 -7.669 313 HD23 LEU 47 2HD2 LEU 47 -1.426 -10.042 -5.997 314 H SER 48 H SER 48 -6.668 -11.849 -5.661 315 HA SER 48 HA SER 48 -7.790 -10.116 -3.737 316 HB2 SER 48 2HB SER 48 -8.864 -11.651 -5.621 317 HB3 SER 48 1HB SER 48 -9.042 -12.772 -4.270 318 HG SER 48 HG SER 48 -10.243 -10.273 -4.701 319 H GLY 49 H GLY 49 -6.074 -13.121 -3.448 320 HA2 GLY 49 1HA GLY 49 -6.841 -13.366 -0.619 321 HA3 GLY 49 2HA GLY 49 -5.952 -14.566 -1.548 322 H LEU 50 H LEU 50 -4.569 -11.861 -2.486 323 HA LEU 50 HA LEU 50 -2.284 -12.203 -0.762 324 HB2 LEU 50 2HB LEU 50 -1.953 -11.941 -3.146 325 HB3 LEU 50 1HB LEU 50 -2.812 -10.412 -3.140 326 HG LEU 50 HG LEU 50 -0.507 -10.428 -1.344 327 HD11 LEU 50 1HD1 LEU 50 0.991 -11.404 -2.666 328 HD12 LEU 50 2HD1 LEU 50 -0.206 -11.631 -3.938 329 HD13 LEU 50 3HD1 LEU 50 0.710 -10.128 -3.851 330 HD21 LEU 50 3HD2 LEU 50 -1.567 -8.366 -1.865 331 HD22 LEU 50 1HD2 LEU 50 -0.020 -8.355 -2.710 332 HD23 LEU 50 2HD2 LEU 50 -1.509 -8.693 -3.598 333 H LEU 51 H LEU 51 -4.860 -9.893 -1.252 334 HA LEU 51 HA LEU 51 -3.716 -7.836 0.377 335 HB2 LEU 51 2HB LEU 51 -6.401 -8.329 -0.849 336 HB3 LEU 51 1HB LEU 51 -6.236 -7.098 0.385 337 HG LEU 51 HG LEU 51 -5.847 -5.726 -1.346 338 HD11 LEU 51 1HD1 LEU 51 -3.689 -5.632 -0.410 339 HD12 LEU 51 2HD1 LEU 51 -3.220 -7.164 -1.151 340 HD13 LEU 51 3HD1 LEU 51 -3.457 -5.732 -2.156 341 HD21 LEU 51 3HD2 LEU 51 -4.828 -6.731 -3.542 342 HD22 LEU 51 1HD2 LEU 51 -5.366 -8.253 -2.840 343 HD23 LEU 51 2HD2 LEU 51 -6.528 -6.964 -3.145 344 H GLY 52 H GLY 52 -5.252 -10.771 1.030 345 HA2 GLY 52 1HA GLY 52 -6.048 -9.861 3.719 346 HA3 GLY 52 2HA GLY 52 -6.831 -11.179 2.853 347 H ALA 53 H ALA 53 -3.755 -10.187 4.301 348 HA ALA 53 HA ALA 53 -2.760 -12.880 4.421 349 HB1 ALA 53 1HB ALA 53 -1.732 -10.214 4.968 350 HB2 ALA 53 2HB ALA 53 -1.237 -11.384 6.193 351 HB3 ALA 53 3HB ALA 53 -0.874 -11.680 4.491 352 H GLY 54 H GLY 54 -5.115 -13.175 5.503 353 HA2 GLY 54 1HA GLY 54 -5.111 -14.427 7.806 354 HA3 GLY 54 2HA GLY 54 -4.969 -12.777 8.401 355 H LEU 55 H LEU 55 -6.833 -11.887 8.974 356 HA LEU 55 HA LEU 55 -9.277 -12.713 7.544 357 HB2 LEU 55 2HB LEU 55 -8.712 -12.226 10.429 358 HB3 LEU 55 1HB LEU 55 -10.288 -11.757 9.822 359 HG LEU 55 HG LEU 55 -9.140 -14.532 9.568 360 HD11 LEU 55 1HD1 LEU 55 -9.777 -14.964 11.648 361 HD12 LEU 55 2HD1 LEU 55 -10.151 -13.254 11.867 362 HD13 LEU 55 3HD1 LEU 55 -11.401 -14.364 11.307 363 HD21 LEU 55 3HD2 LEU 55 -11.987 -14.379 9.452 364 HD22 LEU 55 1HD2 LEU 55 -11.306 -13.247 8.286 365 HD23 LEU 55 2HD2 LEU 55 -10.860 -14.953 8.226 366 H LEU 56 H LEU 56 -7.942 -10.810 6.323 367 HA LEU 56 HA LEU 56 -8.369 -8.202 7.481 368 HB2 LEU 56 2HB LEU 56 -6.856 -9.312 5.197 369 HB3 LEU 56 1HB LEU 56 -7.400 -7.652 5.034 370 HG LEU 56 HG LEU 56 -5.259 -7.442 5.917 371 HD11 LEU 56 1HD1 LEU 56 -6.016 -5.986 7.404 372 HD12 LEU 56 2HD1 LEU 56 -7.484 -6.929 7.656 373 HD13 LEU 56 3HD1 LEU 56 -6.037 -7.284 8.595 374 HD21 LEU 56 3HD2 LEU 56 -4.594 -9.599 6.459 375 HD22 LEU 56 1HD2 LEU 56 -4.635 -8.796 8.027 376 HD23 LEU 56 2HD2 LEU 56 -5.961 -9.855 7.544 377 H ASN 57 H ASN 57 -9.004 -6.456 5.813 378 HA ASN 57 HA ASN 57 -11.365 -7.261 4.291 379 HB2 ASN 57 2HB ASN 57 -11.681 -6.217 6.745 380 HB3 ASN 57 1HB ASN 57 -11.507 -4.722 5.834 381 HD21 ASN 57 1HD2 ASN 57 -13.790 -5.833 7.257 382 HD22 ASN 57 2HD2 ASN 57 -15.062 -5.936 6.100 383 H GLY 58 H GLY 58 -12.163 -5.010 3.256 384 HA2 GLY 58 1HA GLY 58 -9.758 -3.994 1.853 385 HA3 GLY 58 2HA GLY 58 -11.335 -4.199 1.096 386 H LEU 59 H LEU 59 -11.951 -2.200 0.551 387 HA LEU 59 HA LEU 59 -11.480 0.130 2.081 388 HB2 LEU 59 2HB LEU 59 -12.431 -0.414 -0.436 389 HB3 LEU 59 1HB LEU 59 -13.883 0.120 0.384 390 HG LEU 59 HG LEU 59 -12.060 1.735 -0.881 391 HD11 LEU 59 1HD1 LEU 59 -14.510 1.961 0.340 392 HD12 LEU 59 2HD1 LEU 59 -13.511 3.119 1.221 393 HD13 LEU 59 3HD1 LEU 59 -13.659 3.235 -0.535 394 HD21 LEU 59 3HD2 LEU 59 -10.669 2.812 0.552 395 HD22 LEU 59 1HD2 LEU 59 -11.682 2.490 1.961 396 HD23 LEU 59 2HD2 LEU 59 -10.660 1.214 1.298 397 H SER 60 H SER 60 -12.934 1.313 3.396 398 HA SER 60 HA SER 60 -14.515 -0.231 5.151 399 HB2 SER 60 2HB SER 60 -14.294 2.765 4.762 400 HB3 SER 60 1HB SER 60 -15.185 2.012 6.082 401 HG SER 60 HG SER 60 -12.411 1.894 5.541 402 H GLY 61 H GLY 61 -16.052 -1.319 3.938 403 HA2 GLY 61 1HA GLY 61 -18.475 -1.254 3.781 404 HA3 GLY 61 2HA GLY 61 -18.330 0.366 3.119 405 H ASN 62 H ASN 62 -16.163 -0.261 1.317 406 HA ASN 62 HA ASN 62 -17.823 -1.396 -0.787 407 HB2 ASN 62 2HB ASN 62 -16.367 0.788 -0.903 408 HB3 ASN 62 1HB ASN 62 -15.069 -0.340 -1.294 409 HD21 ASN 62 1HD2 ASN 62 -14.748 -0.289 -3.418 410 HD22 ASN 62 2HD2 ASN 62 -15.992 -0.319 -4.628 411 H THR 63 H THR 63 -17.793 -3.575 -0.628 412 HA THR 63 HA THR 63 -15.417 -5.086 -0.140 413 HB THR 63 HB THR 63 -17.481 -6.661 -1.365 414 HG1 THR 63 1HG THR 63 -18.539 -5.415 0.903 415 HG21 THR 63 3HG2 THR 63 -17.321 -7.914 0.592 416 HG22 THR 63 1HG2 THR 63 -16.912 -6.512 1.578 417 HG23 THR 63 2HG2 THR 63 -15.723 -7.182 0.461 418 H GLY 64 H GLY 64 -14.218 -3.964 -1.924 419 HA2 GLY 64 1HA GLY 64 -13.954 -5.742 -4.140 420 HA3 GLY 64 2HA GLY 64 -14.688 -4.218 -4.630 421 H SER 65 H SER 65 -13.429 -2.338 -3.261 422 HA SER 65 HA SER 65 -10.761 -2.352 -4.313 423 HB2 SER 65 2HB SER 65 -11.411 -0.190 -2.462 424 HB3 SER 65 1HB SER 65 -10.942 -0.112 -4.160 425 HG SER 65 HG SER 65 -12.968 0.496 -4.352 426 H ALA 66 H ALA 66 -10.074 -4.236 -3.023 427 HA ALA 66 HA ALA 66 -9.603 -3.882 -0.213 428 HB1 ALA 66 1HB ALA 66 -9.084 -5.949 -2.233 429 HB2 ALA 66 2HB ALA 66 -7.880 -5.851 -0.948 430 HB3 ALA 66 3HB ALA 66 -9.577 -6.109 -0.548 431 H CYS 67 H CYS 67 -7.621 -3.341 0.792 432 HA CYS 67 HA CYS 67 -5.717 -2.071 -1.051 433 HB2 CYS 67 2HB CYS 67 -6.336 -0.966 1.679 434 HB3 CYS 67 1HB CYS 67 -5.532 -0.173 0.329 435 H ALA 68 H ALA 68 -3.554 -2.068 -0.461 436 HA ALA 68 HA ALA 68 -2.892 -3.974 1.663 437 HB1 ALA 68 1HB ALA 68 -0.719 -3.283 -0.136 438 HB2 ALA 68 2HB ALA 68 -1.319 -4.865 0.364 439 HB3 ALA 68 3HB ALA 68 -2.104 -4.003 -0.960 440 H LYS 69 H LYS 69 -1.525 -3.437 3.243 441 HA LYS 69 HA LYS 69 -0.929 -0.598 3.540 442 HB2 LYS 69 2HB LYS 69 -0.146 -1.669 5.885 443 HB3 LYS 69 1HB LYS 69 -1.807 -1.191 5.561 444 HG2 LYS 69 2HG LYS 69 -1.123 -3.932 4.750 445 HG3 LYS 69 1HG LYS 69 -1.066 -3.622 6.486 446 HD2 LYS 69 2HD LYS 69 -3.294 -3.450 6.641 447 HD3 LYS 69 1HD LYS 69 -3.407 -2.476 5.171 448 HE2 LYS 69 2HE LYS 69 -4.106 -4.229 4.009 449 HE3 LYS 69 1HE LYS 69 -2.696 -5.168 4.497 450 HZ1 LYS 69 3HZ LYS 69 -4.841 -4.831 6.449 451 HZ2 LYS 69 1HZ LYS 69 -3.805 -6.152 6.188 452 HZ3 LYS 69 2HZ LYS 69 -5.125 -5.878 5.150 453 H ALA 70 H ALA 70 1.243 -0.075 4.558 454 HA ALA 70 HA ALA 70 3.360 -1.023 2.978 455 HB1 ALA 70 1HB ALA 70 4.189 0.844 3.859 456 HB2 ALA 70 2HB ALA 70 3.026 0.816 5.184 457 HB3 ALA 70 3HB ALA 70 4.533 -0.089 5.314 458 H SER 71 H SER 71 2.047 -2.102 6.022 459 HA SER 71 HA SER 71 4.091 -3.866 6.806 460 HB2 SER 71 2HB SER 71 1.589 -4.915 7.629 461 HB3 SER 71 1HB SER 71 2.707 -3.926 8.574 462 HG SER 71 HG SER 71 0.943 -2.683 8.541 463 H LEU 72 H LEU 72 1.565 -4.115 4.411 464 HA LEU 72 HA LEU 72 1.985 -6.983 4.116 465 HB2 LEU 72 2HB LEU 72 -0.188 -5.256 3.604 466 HB3 LEU 72 1HB LEU 72 0.325 -5.899 2.051 467 HG LEU 72 HG LEU 72 0.009 -8.156 2.795 468 HD11 LEU 72 1HD1 LEU 72 -0.703 -8.709 5.053 469 HD12 LEU 72 2HD1 LEU 72 0.843 -7.857 5.078 470 HD13 LEU 72 3HD1 LEU 72 -0.642 -7.002 5.506 471 HD21 LEU 72 3HD2 LEU 72 -2.272 -6.345 3.543 472 HD22 LEU 72 1HD2 LEU 72 -2.010 -7.184 2.013 473 HD23 LEU 72 2HD2 LEU 72 -2.411 -8.102 3.467 474 H ILE 73 H ILE 73 2.871 -3.979 2.613 475 HA ILE 73 HA ILE 73 3.964 -5.162 0.258 476 HB ILE 73 HB ILE 73 4.441 -2.492 1.581 477 HG12 ILE 73 2HG1 ILE 73 3.128 -3.113 -1.061 478 HG13 ILE 73 1HG1 ILE 73 2.226 -3.117 0.448 479 HG21 ILE 73 1HG2 ILE 73 5.452 -3.332 -1.134 480 HG22 ILE 73 2HG2 ILE 73 5.723 -1.792 -0.314 481 HG23 ILE 73 3HG2 ILE 73 6.454 -3.268 0.316 482 HD11 ILE 73 3HD1 ILE 73 2.167 -1.019 -0.985 483 HD12 ILE 73 1HD1 ILE 73 2.488 -0.825 0.737 484 HD13 ILE 73 2HD1 ILE 73 3.813 -0.735 -0.420 485 H ASP 74 H ASP 74 5.044 -4.552 3.494 486 HA ASP 74 HA ASP 74 7.737 -5.472 3.087 487 HB2 ASP 74 2HB ASP 74 7.751 -4.120 4.923 488 HB3 ASP 74 1HB ASP 74 6.075 -4.462 5.311 489 H GLN 75 H GLN 75 4.728 -6.929 3.311 490 HA GLN 75 HA GLN 75 5.673 -9.406 4.521 491 HB2 GLN 75 2HB GLN 75 3.254 -8.076 4.608 492 HB3 GLN 75 1HB GLN 75 2.937 -9.381 3.477 493 HG2 GLN 75 2HG GLN 75 2.360 -9.932 5.804 494 HG3 GLN 75 1HG GLN 75 3.561 -11.021 5.109 495 HE21 GLN 75 1HE2 GLN 75 3.805 -7.796 6.525 496 HE22 GLN 75 2HE2 GLN 75 4.970 -8.221 7.716 497 H LEU 76 H LEU 76 4.304 -8.239 1.454 498 HA LEU 76 HA LEU 76 5.072 -10.824 0.267 499 HB2 LEU 76 2HB LEU 76 2.739 -9.062 -0.472 500 HB3 LEU 76 1HB LEU 76 3.178 -10.558 -1.278 501 HG LEU 76 HG LEU 76 2.936 -11.250 1.420 502 HD11 LEU 76 1HD1 LEU 76 0.482 -10.512 1.715 503 HD12 LEU 76 2HD1 LEU 76 1.775 -9.387 2.139 504 HD13 LEU 76 3HD1 LEU 76 0.911 -9.209 0.610 505 HD21 LEU 76 3HD2 LEU 76 0.830 -12.366 0.578 506 HD22 LEU 76 1HD2 LEU 76 1.164 -11.607 -0.976 507 HD23 LEU 76 2HD2 LEU 76 2.320 -12.746 -0.284 508 H GLY 77 H GLY 77 4.758 -7.338 -0.320 509 HA2 GLY 77 1HA GLY 77 6.256 -6.050 -1.609 510 HA3 GLY 77 2HA GLY 77 6.940 -7.536 -2.250 511 H LEU 78 H LEU 78 3.681 -6.167 -2.196 512 HA LEU 78 HA LEU 78 3.167 -7.151 -4.852 513 HB2 LEU 78 2HB LEU 78 0.915 -6.101 -4.438 514 HB3 LEU 78 1HB LEU 78 1.389 -7.365 -3.321 515 HG LEU 78 HG LEU 78 2.220 -4.821 -2.285 516 HD11 LEU 78 1HD1 LEU 78 0.535 -3.708 -3.447 517 HD12 LEU 78 2HD1 LEU 78 -0.611 -5.035 -3.242 518 HD13 LEU 78 3HD1 LEU 78 -0.163 -4.033 -1.861 519 HD21 LEU 78 3HD2 LEU 78 1.722 -5.895 -0.405 520 HD22 LEU 78 1HD2 LEU 78 0.029 -6.043 -0.882 521 HD23 LEU 78 2HD2 LEU 78 1.198 -7.268 -1.381 522 H LEU 79 H LEU 79 2.102 -5.710 -6.481 523 HA LEU 79 HA LEU 79 3.383 -3.047 -6.515 524 HB2 LEU 79 2HB LEU 79 3.267 -3.495 -9.113 525 HB3 LEU 79 1HB LEU 79 4.612 -4.071 -8.148 526 HG LEU 79 HG LEU 79 3.070 -6.243 -7.984 527 HD11 LEU 79 1HD1 LEU 79 1.801 -6.669 -9.927 528 HD12 LEU 79 2HD1 LEU 79 1.294 -5.081 -9.356 529 HD13 LEU 79 3HD1 LEU 79 2.397 -5.212 -10.727 530 HD21 LEU 79 3HD2 LEU 79 4.870 -7.054 -8.995 531 HD22 LEU 79 1HD2 LEU 79 4.316 -6.402 -10.539 532 HD23 LEU 79 2HD2 LEU 79 5.330 -5.422 -9.479 533 H ALA 80 H ALA 80 0.522 -4.546 -6.278 534 HA ALA 80 HA ALA 80 -1.099 -3.611 -8.326 535 HB1 ALA 80 1HB ALA 80 -2.980 -3.994 -6.779 536 HB2 ALA 80 2HB ALA 80 -1.832 -5.335 -6.823 537 HB3 ALA 80 3HB ALA 80 -1.818 -4.206 -5.468 538 H LEU 81 H LEU 81 -0.086 -1.961 -5.395 539 HA LEU 81 HA LEU 81 -1.698 0.355 -6.229 540 HB2 LEU 81 2HB LEU 81 -1.020 0.719 -3.539 541 HB3 LEU 81 1HB LEU 81 -2.601 0.353 -4.204 542 HG LEU 81 HG LEU 81 -0.955 -2.026 -3.887 543 HD11 LEU 81 1HD1 LEU 81 -1.569 -1.798 -1.281 544 HD12 LEU 81 2HD1 LEU 81 0.011 -1.377 -1.953 545 HD13 LEU 81 3HD1 LEU 81 -1.185 -0.114 -1.655 546 HD21 LEU 81 3HD2 LEU 81 -3.632 -1.381 -4.025 547 HD22 LEU 81 1HD2 LEU 81 -2.968 -2.955 -3.578 548 HD23 LEU 81 2HD2 LEU 81 -3.404 -1.791 -2.324 549 H VAL 82 H VAL 82 1.065 -0.390 -7.006 550 HA VAL 82 HA VAL 82 2.402 2.026 -5.974 551 HB VAL 82 HB VAL 82 4.008 -0.214 -7.146 552 HG11 VAL 82 1HG1 VAL 82 5.020 1.198 -4.812 553 HG12 VAL 82 2HG1 VAL 82 5.750 0.963 -6.401 554 HG13 VAL 82 3HG1 VAL 82 4.607 2.281 -6.140 555 HG21 VAL 82 3HG2 VAL 82 4.147 -0.551 -4.378 556 HG22 VAL 82 1HG2 VAL 82 2.426 -0.440 -4.745 557 HG23 VAL 82 2HG2 VAL 82 3.425 -1.650 -5.554 558 H ASP 83 H ASP 83 3.250 3.448 -7.434 559 HA ASP 83 HA ASP 83 2.839 2.771 -10.269 560 HB2 ASP 83 2HB ASP 83 1.182 4.430 -9.055 561 HB3 ASP 83 1HB ASP 83 2.462 5.594 -9.371 562 H HIS 84 H HIS 84 3.830 4.688 -11.619 563 HA HIS 84 HA HIS 84 6.569 4.201 -11.593 564 HB2 HIS 84 2HB HIS 84 6.727 5.684 -13.448 565 HB3 HIS 84 1HB HIS 84 5.154 4.905 -13.569 566 HD1 HIS 84 1HD HIS 84 3.080 6.438 -12.680 567 HD2 HIS 84 2HD HIS 84 6.662 8.395 -13.511 568 HE1 HIS 84 1HE HIS 84 2.493 8.875 -12.911 569 HE2 HIS 84 2HE HIS 84 4.704 10.053 -13.152 570 H THR 85 H THR 85 8.278 5.146 -10.726 571 HA THR 85 HA THR 85 8.219 7.855 -9.760 572 HB THR 85 HB THR 85 7.157 6.749 -7.894 573 HG1 THR 85 1HG THR 85 8.770 7.158 -6.264 574 HG21 THR 85 3HG2 THR 85 9.549 4.966 -7.584 575 HG22 THR 85 1HG2 THR 85 8.163 4.490 -8.565 576 HG23 THR 85 2HG2 THR 85 7.953 4.819 -6.845 577 H GLU 86 H GLU 86 10.315 8.654 -9.318 578 HA GLU 86 HA GLU 86 12.489 6.891 -10.232 579 HB2 GLU 86 2HB GLU 86 13.623 8.808 -11.052 580 HB3 GLU 86 1HB GLU 86 11.940 9.017 -11.521 581 HG2 GLU 86 2HG GLU 86 13.022 10.255 -9.017 582 HG3 GLU 86 1HG GLU 86 13.204 11.034 -10.589 583 H GLU 87 H GLU 87 11.248 8.628 -7.577 584 HA GLU 87 HA GLU 87 13.789 8.736 -6.166 585 HB2 GLU 87 2HB GLU 87 12.258 10.628 -5.946 586 HB3 GLU 87 1HB GLU 87 11.001 9.561 -5.333 587 HG2 GLU 87 2HG GLU 87 11.749 9.802 -3.266 588 HG3 GLU 87 1HG GLU 87 13.358 9.263 -3.747 589 H GLY 88 H GLY 88 10.641 7.147 -5.898 590 HA2 GLY 88 1HA GLY 88 11.569 4.730 -4.909 591 HA3 GLY 88 2HA GLY 88 11.224 5.738 -3.509 592 HA PRO 89 HA PRO 89 7.561 3.398 -5.876 593 HB2 PRO 89 2HB PRO 89 7.551 2.079 -3.179 594 HB3 PRO 89 1HB PRO 89 7.134 1.405 -4.759 595 HG2 PRO 89 2HG PRO 89 9.479 0.866 -3.665 596 HG3 PRO 89 1HG PRO 89 9.354 1.191 -5.404 597 HD2 PRO 89 2HD PRO 89 10.415 2.918 -3.227 598 HD3 PRO 89 1HD PRO 89 10.910 2.805 -4.927 599 H VAL 90 H VAL 90 5.684 4.492 -5.829 600 HA VAL 90 HA VAL 90 4.822 5.656 -3.259 601 HB VAL 90 HB VAL 90 3.912 7.594 -4.601 602 HG11 VAL 90 1HG1 VAL 90 6.671 7.036 -3.824 603 HG12 VAL 90 2HG1 VAL 90 6.518 8.329 -5.016 604 HG13 VAL 90 3HG1 VAL 90 5.657 8.438 -3.482 605 HG21 VAL 90 3HG2 VAL 90 5.939 6.923 -6.690 606 HG22 VAL 90 1HG2 VAL 90 4.319 6.229 -6.793 607 HG23 VAL 90 2HG2 VAL 90 4.531 7.982 -6.790 608 H CYS 91 H CYS 91 2.465 6.653 -3.725 609 HA CYS 91 HA CYS 91 0.802 4.376 -3.991 610 HB2 CYS 91 2HB CYS 91 0.534 7.140 -3.173 611 HB3 CYS 91 1HB CYS 91 -0.833 6.647 -4.167 612 H LYS 92 H LYS 92 -0.371 3.642 -5.640 613 HA LYS 92 HA LYS 92 0.080 4.770 -8.263 614 HB2 LYS 92 2HB LYS 92 0.211 2.371 -7.976 615 HB3 LYS 92 1HB LYS 92 -1.425 2.320 -7.339 616 HG2 LYS 92 2HG LYS 92 -2.294 2.166 -9.376 617 HG3 LYS 92 1HG LYS 92 -1.355 3.545 -9.954 618 HD2 LYS 92 2HD LYS 92 0.595 2.063 -10.232 619 HD3 LYS 92 1HD LYS 92 -0.405 0.697 -9.739 620 HE2 LYS 92 2HE LYS 92 -0.951 0.442 -11.888 621 HE3 LYS 92 1HE LYS 92 -1.851 1.955 -11.763 622 HZ1 LYS 92 3HZ LYS 92 -0.434 2.379 -13.501 623 HZ2 LYS 92 1HZ LYS 92 0.844 1.483 -12.850 624 HZ3 LYS 92 2HZ LYS 92 0.455 3.012 -12.211 625 H ASN 93 H ASN 93 -2.449 4.789 -5.888 626 HA ASN 93 HA ASN 93 -4.223 6.137 -7.761 627 HB2 ASN 93 2HB ASN 93 -4.460 3.355 -7.184 628 HB3 ASN 93 1HB ASN 93 -5.839 4.183 -6.472 629 HD21 ASN 93 1HD2 ASN 93 -3.990 3.925 -9.475 630 HD22 ASN 93 2HD2 ASN 93 -5.347 4.124 -10.524 631 H ILE 94 H ILE 94 -5.241 4.448 -4.859 632 HA ILE 94 HA ILE 94 -6.340 7.014 -3.946 633 HB ILE 94 HB ILE 94 -7.170 4.225 -3.133 634 HG12 ILE 94 2HG1 ILE 94 -8.771 5.873 -5.047 635 HG13 ILE 94 1HG1 ILE 94 -7.380 4.985 -5.659 636 HG21 ILE 94 1HG2 ILE 94 -9.186 5.243 -2.342 637 HG22 ILE 94 2HG2 ILE 94 -7.803 6.056 -1.608 638 HG23 ILE 94 3HG2 ILE 94 -8.673 6.822 -2.937 639 HD11 ILE 94 3HD1 ILE 94 -9.303 3.639 -5.983 640 HD12 ILE 94 1HD1 ILE 94 -8.375 2.920 -4.665 641 HD13 ILE 94 2HD1 ILE 94 -9.821 3.868 -4.313 642 H VAL 95 H VAL 95 -5.293 7.957 -2.330 643 HA VAL 95 HA VAL 95 -3.505 6.565 -0.578 644 HB VAL 95 HB VAL 95 -4.644 9.344 -0.194 645 HG11 VAL 95 1HG1 VAL 95 -3.519 8.602 1.767 646 HG12 VAL 95 2HG1 VAL 95 -2.161 7.981 0.830 647 HG13 VAL 95 3HG1 VAL 95 -2.438 9.719 0.932 648 HG21 VAL 95 3HG2 VAL 95 -2.273 9.871 -1.273 649 HG22 VAL 95 1HG2 VAL 95 -2.579 8.330 -2.076 650 HG23 VAL 95 2HG2 VAL 95 -3.723 9.660 -2.257 651 H ALA 96 H ALA 96 -3.961 5.579 1.301 652 HA ALA 96 HA ALA 96 -6.321 6.259 2.837 653 HB1 ALA 96 1HB ALA 96 -7.057 3.803 2.768 654 HB2 ALA 96 2HB ALA 96 -7.454 4.825 1.388 655 HB3 ALA 96 3HB ALA 96 -6.101 3.699 1.291 656 H CYS 97 H CYS 97 -6.522 4.563 4.700 657 HA CYS 97 HA CYS 97 -3.842 3.672 5.533 658 HB2 CYS 97 2HB CYS 97 -5.901 4.898 7.385 659 HB3 CYS 97 1HB CYS 97 -4.277 4.364 7.814 660 H CYS 98 H CYS 98 -3.729 1.626 6.208 661 HA CYS 98 HA CYS 98 -6.263 0.144 6.504 662 HB2 CYS 98 2HB CYS 98 -3.755 -0.534 5.008 663 HB3 CYS 98 1HB CYS 98 -4.792 -1.812 5.622 664 HA PRO 99 HA PRO 99 -4.215 -1.503 10.156 665 HB2 PRO 99 2HB PRO 99 -6.261 -2.921 11.110 666 HB3 PRO 99 1HB PRO 99 -6.307 -1.154 11.134 667 HG2 PRO 99 2HG PRO 99 -7.624 -3.055 9.240 668 HG3 PRO 99 1HG PRO 99 -8.271 -1.574 9.968 669 HD2 PRO 99 2HD PRO 99 -7.205 -1.752 7.413 670 HD3 PRO 99 1HD PRO 99 -7.361 -0.250 8.346 671 H GLU 100 H GLU 100 -3.335 -3.534 10.730 672 HA GLU 100 HA GLU 100 -3.674 -5.654 8.742 673 HB2 GLU 100 2HB GLU 100 -1.406 -4.648 10.092 674 HB3 GLU 100 1HB GLU 100 -1.703 -6.244 10.768 675 HG2 GLU 100 2HG GLU 100 -0.906 -5.464 8.019 676 HG3 GLU 100 1HG GLU 100 -0.343 -6.793 9.035 677 H GLY 101 H GLY 101 -3.961 -7.871 9.537 678 HA2 GLY 101 1HA GLY 101 -4.642 -9.401 11.218 679 HA3 GLY 101 2HA GLY 101 -5.079 -8.040 12.241 680 H THR 102 H THR 102 -6.915 -6.685 11.387 681 HA THR 102 HA THR 102 -8.895 -8.177 9.871 682 HB THR 102 HB THR 102 -10.502 -7.508 11.918 683 HG1 THR 102 1HG THR 102 -9.265 -8.227 13.855 684 HG21 THR 102 3HG2 THR 102 -9.087 -9.959 11.135 685 HG22 THR 102 1HG2 THR 102 -10.803 -9.684 11.430 686 HG23 THR 102 2HG2 THR 102 -9.713 -9.962 12.786 687 H THR 103 H THR 103 -10.961 -6.890 9.683 688 HA THR 103 HA THR 103 -12.248 -5.044 9.461 689 HB THR 103 HB THR 103 -10.363 -3.106 10.667 690 HG1 THR 103 1HG THR 103 -9.915 -4.827 12.021 691 HG21 THR 103 3HG2 THR 103 -12.785 -3.189 12.052 692 HG22 THR 103 1HG2 THR 103 -13.208 -3.513 10.372 693 HG23 THR 103 2HG2 THR 103 -12.324 -2.046 10.792 694 H ASN 104 H ASN 104 -12.224 -2.762 8.562 695 HA ASN 104 HA ASN 104 -10.861 -3.069 6.003 696 HB2 ASN 104 2HB ASN 104 -12.646 -1.127 5.522 697 HB3 ASN 104 1HB ASN 104 -13.069 -2.837 5.477 698 HD21 ASN 104 1HD2 ASN 104 -13.404 0.158 7.163 699 HD22 ASN 104 2HD2 ASN 104 -14.609 -0.372 8.297 700 H CYS 105 H CYS 105 -10.689 -0.805 4.833 701 HA CYS 105 HA CYS 105 -8.965 0.850 6.562 702 HB2 CYS 105 2HB CYS 105 -8.827 0.751 3.568 703 HB3 CYS 105 1HB CYS 105 -7.593 1.271 4.709 704 H VAL 106 H VAL 106 -9.182 3.035 6.568 705 HA VAL 106 HA VAL 106 -11.490 4.184 5.227 706 HB VAL 106 HB VAL 106 -11.491 5.850 6.785 707 HG11 VAL 106 1HG1 VAL 106 -11.656 4.024 8.219 708 HG12 VAL 106 2HG1 VAL 106 -9.952 3.607 8.034 709 HG13 VAL 106 3HG1 VAL 106 -10.414 5.025 8.971 710 HG21 VAL 106 3HG2 VAL 106 -9.200 6.462 7.982 711 HG22 VAL 106 1HG2 VAL 106 -8.536 5.802 6.485 712 HG23 VAL 106 2HG2 VAL 106 -9.657 7.163 6.430 713 H ALA 107 H ALA 107 -11.312 6.022 3.824 714 HA ALA 107 HA ALA 107 -8.726 6.051 2.411 715 HB1 ALA 107 1HB ALA 107 -11.334 5.652 1.458 716 HB2 ALA 107 2HB ALA 107 -10.842 7.248 0.893 717 HB3 ALA 107 3HB ALA 107 -9.856 5.835 0.512 718 H VAL 108 H VAL 108 -7.700 7.968 1.935 719 HA VAL 108 HA VAL 108 -8.998 10.427 2.902 720 HB VAL 108 HB VAL 108 -6.219 10.773 3.261 721 HG11 VAL 108 1HG1 VAL 108 -6.942 10.951 5.682 722 HG12 VAL 108 2HG1 VAL 108 -7.790 11.990 4.531 723 HG13 VAL 108 3HG1 VAL 108 -8.563 10.519 5.125 724 HG21 VAL 108 3HG2 VAL 108 -5.978 9.015 5.143 725 HG22 VAL 108 1HG2 VAL 108 -7.221 8.131 4.260 726 HG23 VAL 108 2HG2 VAL 108 -5.690 8.519 3.475 727 H ASP 109 H ASP 109 -8.408 9.125 0.219 728 HA ASP 109 HA ASP 109 -6.594 10.874 -1.116 729 HB2 ASP 109 2HB ASP 109 -6.833 9.051 -2.454 730 HB3 ASP 109 1HB ASP 109 -8.468 8.729 -1.893 731 H ASN 110 H ASN 110 -10.132 10.653 -1.077 732 HA ASN 110 HA ASN 110 -11.782 12.176 -1.299 733 HB2 ASN 110 2HB ASN 110 -9.627 14.201 -0.686 734 HB3 ASN 110 1HB ASN 110 -11.358 14.533 -0.713 735 HD21 ASN 110 1HD2 ASN 110 -8.924 14.137 1.310 736 HD22 ASN 110 2HD2 ASN 110 -9.733 13.396 2.651 737 H ALA 111 H ALA 111 -9.213 14.200 -2.549 738 HA ALA 111 HA ALA 111 -9.805 13.757 -5.296 739 HB1 ALA 111 1HB ALA 111 -11.538 15.126 -5.551 740 HB2 ALA 111 2HB ALA 111 -11.371 15.753 -3.912 741 HB3 ALA 111 3HB ALA 111 -10.429 16.458 -5.225 742 H GLY 112 H GLY 112 -7.443 13.551 -4.203 743 HA2 GLY 112 1HA GLY 112 -5.869 15.536 -5.496 744 HA3 GLY 112 2HA GLY 112 -5.882 15.801 -3.760 745 H ALA 113 H ALA 113 -5.032 13.517 -6.291 746 HA ALA 113 HA ALA 113 -2.797 12.599 -4.662 747 HB1 ALA 113 1HB ALA 113 -5.011 10.845 -5.652 748 HB2 ALA 113 2HB ALA 113 -3.382 10.201 -5.439 749 HB3 ALA 113 3HB ALA 113 -4.250 10.888 -4.063 750 H GLY 114 H GLY 114 -1.459 13.691 -6.126 751 HA2 GLY 114 1HA GLY 114 -1.637 13.210 -8.954 752 HA3 GLY 114 2HA GLY 114 -0.356 14.078 -8.112 753 H THR 115 H THR 115 1.107 12.636 -6.770 754 HA THR 115 HA THR 115 1.345 9.879 -7.467 755 HB THR 115 HB THR 115 3.877 10.841 -8.339 756 HG1 THR 115 1HG THR 115 1.648 12.101 -9.554 757 HG21 THR 115 3HG2 THR 115 1.616 9.386 -9.690 758 HG22 THR 115 1HG2 THR 115 3.080 8.704 -8.981 759 HG23 THR 115 2HG2 THR 115 3.179 9.664 -10.458 760 H LYS 116 H LYS 116 3.007 12.782 -6.334 761 HA LYS 116 HA LYS 116 3.688 11.798 -3.822 762 HB2 LYS 116 2HB LYS 116 6.215 11.634 -4.166 763 HB3 LYS 116 1HB LYS 116 5.253 10.269 -4.712 764 HG2 LYS 116 2HG LYS 116 5.411 11.065 -7.010 765 HG3 LYS 116 1HG LYS 116 6.352 12.456 -6.470 766 HD2 LYS 116 2HD LYS 116 7.571 10.110 -5.422 767 HD3 LYS 116 1HD LYS 116 7.262 9.845 -7.139 768 HE2 LYS 116 2HE LYS 116 8.583 12.341 -6.094 769 HE3 LYS 116 1HE LYS 116 9.490 10.895 -6.538 770 HZ1 LYS 116 3HZ LYS 116 7.665 11.637 -8.583 771 HZ2 LYS 116 1HZ LYS 116 9.342 11.411 -8.673 772 HZ3 LYS 116 2HZ LYS 116 8.708 12.920 -8.215 773 H ALA 117 H ALA 117 4.468 13.901 -6.500 774 HA ALA 117 HA ALA 117 5.435 15.978 -4.694 775 HB1 ALA 117 1HB ALA 117 5.772 15.384 -7.522 776 HB2 ALA 117 2HB ALA 117 5.362 17.076 -7.234 777 HB3 ALA 117 3HB ALA 117 6.770 16.360 -6.445 778 H GLU 118 H GLU 118 3.495 16.406 -3.608 779 HA GLU 118 HA GLU 118 1.258 17.338 -5.248 780 HB2 GLU 118 2HB GLU 118 1.218 16.734 -2.293 781 HB3 GLU 118 1HB GLU 118 -0.160 16.933 -3.368 782 HG2 GLU 118 2HG GLU 118 1.826 14.672 -3.375 783 HG3 GLU 118 1HG GLU 118 0.137 14.601 -2.878 Start of MODEL 4 1 H1 SER 1 1H SER 1 28.147 -6.840 -4.099 2 H2 SER 1 2H SER 1 29.653 -6.113 -3.829 3 H3 SER 1 3H SER 1 28.282 -5.549 -3.011 4 HA SER 1 HA SER 1 28.747 -8.341 -2.620 5 HB2 SER 1 2HB SER 1 30.706 -6.590 -1.194 6 HB3 SER 1 1HB SER 1 30.811 -8.309 -1.582 7 HG SER 1 HG SER 1 31.759 -7.827 -3.395 8 H LEU 2 H LEU 2 28.070 -8.935 -0.548 9 HA LEU 2 HA LEU 2 26.030 -7.390 0.587 10 HB2 LEU 2 2HB LEU 2 27.279 -9.944 1.041 11 HB3 LEU 2 1HB LEU 2 26.969 -9.151 2.572 12 HG LEU 2 HG LEU 2 25.141 -10.652 1.920 13 HD11 LEU 2 1HD1 LEU 2 24.868 -8.345 3.137 14 HD12 LEU 2 2HD1 LEU 2 23.984 -7.920 1.671 15 HD13 LEU 2 3HD1 LEU 2 23.457 -9.286 2.654 16 HD21 LEU 2 3HD2 LEU 2 23.694 -9.420 -0.007 17 HD22 LEU 2 1HD2 LEU 2 25.333 -9.127 -0.586 18 HD23 LEU 2 2HD2 LEU 2 24.782 -10.777 -0.296 19 HA PRO 3 HA PRO 3 28.428 -4.518 3.062 20 HB2 PRO 3 2HB PRO 3 25.838 -3.954 4.341 21 HB3 PRO 3 1HB PRO 3 26.908 -2.869 3.454 22 HG2 PRO 3 2HG PRO 3 24.569 -3.694 2.427 23 HG3 PRO 3 1HG PRO 3 25.995 -3.423 1.409 24 HD2 PRO 3 2HD PRO 3 24.847 -5.995 2.421 25 HD3 PRO 3 1HD PRO 3 25.527 -5.615 0.824 26 H ALA 4 H ALA 4 26.564 -7.155 4.134 27 HA ALA 4 HA ALA 4 26.564 -8.466 5.980 28 HB1 ALA 4 1HB ALA 4 28.830 -8.879 5.530 29 HB2 ALA 4 2HB ALA 4 29.322 -7.293 6.127 30 HB3 ALA 4 3HB ALA 4 28.752 -8.523 7.255 31 H SER 5 H SER 5 25.290 -5.980 6.293 32 HA SER 5 HA SER 5 25.332 -5.846 9.197 33 HB2 SER 5 2HB SER 5 25.076 -3.193 8.718 34 HB3 SER 5 1HB SER 5 26.622 -3.961 9.071 35 HG SER 5 HG SER 5 27.023 -4.076 6.851 36 H ALA 6 H ALA 6 23.859 -3.445 7.120 37 HA ALA 6 HA ALA 6 21.252 -4.776 7.346 38 HB1 ALA 6 1HB ALA 6 22.029 -2.507 8.867 39 HB2 ALA 6 2HB ALA 6 20.844 -1.980 7.674 40 HB3 ALA 6 3HB ALA 6 20.450 -3.286 8.788 41 H ALA 7 H ALA 7 20.698 -5.076 5.285 42 HA ALA 7 HA ALA 7 21.257 -2.916 3.358 43 HB1 ALA 7 1HB ALA 7 22.238 -4.689 2.340 44 HB2 ALA 7 2HB ALA 7 21.199 -5.866 3.143 45 HB3 ALA 7 3HB ALA 7 20.596 -4.957 1.759 46 H LYS 8 H LYS 8 18.813 -4.055 5.232 47 HA LYS 8 HA LYS 8 16.790 -2.798 3.608 48 HB2 LYS 8 2HB LYS 8 17.071 -5.361 3.002 49 HB3 LYS 8 1HB LYS 8 16.101 -5.577 4.450 50 HG2 LYS 8 2HG LYS 8 14.232 -4.931 3.425 51 HG3 LYS 8 1HG LYS 8 15.023 -3.551 2.663 52 HD2 LYS 8 2HD LYS 8 15.183 -4.630 0.721 53 HD3 LYS 8 1HD LYS 8 15.949 -6.017 1.500 54 HE2 LYS 8 2HE LYS 8 13.832 -6.568 0.323 55 HE3 LYS 8 1HE LYS 8 13.818 -6.969 2.040 56 HZ1 LYS 8 3HZ LYS 8 11.917 -5.840 2.107 57 HZ2 LYS 8 1HZ LYS 8 12.162 -5.150 0.575 58 HZ3 LYS 8 2HZ LYS 8 12.844 -4.436 1.948 59 H ASN 9 H ASN 9 16.056 -1.450 5.037 60 HA ASN 9 HA ASN 9 15.147 -2.524 7.613 61 HB2 ASN 9 2HB ASN 9 14.887 0.365 7.338 62 HB3 ASN 9 1HB ASN 9 15.682 -0.568 8.599 63 HD21 ASN 9 1HD2 ASN 9 16.066 1.241 5.715 64 HD22 ASN 9 2HD2 ASN 9 17.797 1.250 5.688 65 H ALA 10 H ALA 10 13.103 -1.393 8.356 66 HA ALA 10 HA ALA 10 11.043 -1.968 6.489 67 HB1 ALA 10 1HB ALA 10 10.721 -2.408 8.845 68 HB2 ALA 10 2HB ALA 10 10.897 -0.692 9.214 69 HB3 ALA 10 3HB ALA 10 9.511 -1.257 8.282 70 H LYS 11 H LYS 11 11.967 -0.382 4.897 71 HA LYS 11 HA LYS 11 10.358 2.062 5.042 72 HB2 LYS 11 2HB LYS 11 13.223 1.971 4.046 73 HB3 LYS 11 1HB LYS 11 12.160 3.368 3.989 74 HG2 LYS 11 2HG LYS 11 12.350 2.352 6.669 75 HG3 LYS 11 1HG LYS 11 13.952 2.680 6.000 76 HD2 LYS 11 2HD LYS 11 13.040 4.931 5.277 77 HD3 LYS 11 1HD LYS 11 11.630 4.578 6.281 78 HE2 LYS 11 2HE LYS 11 12.913 4.551 8.252 79 HE3 LYS 11 1HE LYS 11 14.429 4.444 7.360 80 HZ1 LYS 11 3HZ LYS 11 12.639 6.808 7.198 81 HZ2 LYS 11 1HZ LYS 11 14.246 6.677 6.667 82 HZ3 LYS 11 2HZ LYS 11 13.896 6.684 8.328 83 H LEU 12 H LEU 12 9.757 2.858 2.915 84 HA LEU 12 HA LEU 12 9.344 0.736 1.030 85 HB2 LEU 12 2HB LEU 12 8.656 3.669 0.937 86 HB3 LEU 12 1HB LEU 12 8.244 2.541 -0.339 87 HG LEU 12 HG LEU 12 7.147 1.259 1.761 88 HD11 LEU 12 1HD1 LEU 12 7.322 4.152 2.487 89 HD12 LEU 12 2HD1 LEU 12 5.898 3.218 2.947 90 HD13 LEU 12 3HD1 LEU 12 7.495 2.723 3.507 91 HD21 LEU 12 3HD2 LEU 12 5.125 1.797 0.820 92 HD22 LEU 12 1HD2 LEU 12 5.574 3.485 0.555 93 HD23 LEU 12 2HD2 LEU 12 6.218 2.224 -0.497 94 H ALA 13 H ALA 13 11.850 0.582 1.020 95 HA ALA 13 HA ALA 13 13.818 0.721 -0.110 96 HB1 ALA 13 1HB ALA 13 13.705 0.839 -2.498 97 HB2 ALA 13 2HB ALA 13 12.292 -0.048 -1.925 98 HB3 ALA 13 3HB ALA 13 12.131 1.633 -2.435 99 H THR 14 H THR 14 13.237 2.939 1.438 100 HA THR 14 HA THR 14 13.713 5.116 1.842 101 HB THR 14 HB THR 14 15.488 5.617 -0.422 102 HG1 THR 14 1HG THR 14 15.751 3.338 -0.285 103 HG21 THR 14 3HG2 THR 14 16.932 5.504 1.963 104 HG22 THR 14 1HG2 THR 14 15.325 6.069 2.428 105 HG23 THR 14 2HG2 THR 14 16.249 6.942 1.206 106 H SER 15 H SER 15 11.389 4.879 0.619 107 HA SER 15 HA SER 15 10.915 5.891 -1.884 108 HB2 SER 15 2HB SER 15 8.709 6.735 -0.627 109 HB3 SER 15 1HB SER 15 9.010 5.033 -0.972 110 HG SER 15 HG SER 15 8.551 5.049 1.145 111 H ALA 16 H ALA 16 10.908 7.682 1.181 112 HA ALA 16 HA ALA 16 11.258 9.845 1.734 113 HB1 ALA 16 1HB ALA 16 13.061 10.730 0.798 114 HB2 ALA 16 2HB ALA 16 13.031 9.412 -0.374 115 HB3 ALA 16 3HB ALA 16 12.232 10.939 -0.744 116 H ALA 17 H ALA 17 10.194 9.772 -1.666 117 HA ALA 17 HA ALA 17 8.671 12.155 -1.499 118 HB1 ALA 17 1HB ALA 17 8.729 9.869 -3.443 119 HB2 ALA 17 2HB ALA 17 7.612 11.222 -3.629 120 HB3 ALA 17 3HB ALA 17 9.350 11.504 -3.641 121 H PHE 18 H PHE 18 7.904 8.772 -0.996 122 HA PHE 18 HA PHE 18 5.089 9.083 -0.817 123 HB2 PHE 18 2HB PHE 18 6.265 6.909 -1.230 124 HB3 PHE 18 1HB PHE 18 6.804 6.930 0.446 125 HD1 PHE 18 1HD PHE 18 3.716 7.036 -1.621 126 HD2 PHE 18 2HD PHE 18 5.502 5.939 2.080 127 HE1 PHE 18 1HE PHE 18 1.627 5.921 -0.951 128 HE2 PHE 18 2HE PHE 18 3.419 4.821 2.759 129 HZ PHE 18 HZ PHE 18 1.475 4.809 1.240 130 H ALA 19 H ALA 19 7.707 9.642 1.364 131 HA ALA 19 HA ALA 19 6.189 9.480 3.776 132 HB1 ALA 19 1HB ALA 19 8.147 10.565 4.817 133 HB2 ALA 19 2HB ALA 19 8.561 9.139 3.868 134 HB3 ALA 19 3HB ALA 19 8.858 10.749 3.214 135 H LYS 20 H LYS 20 6.714 11.949 1.394 136 HA LYS 20 HA LYS 20 5.979 14.176 3.007 137 HB2 LYS 20 2HB LYS 20 5.773 13.768 0.011 138 HB3 LYS 20 1HB LYS 20 5.532 15.304 0.829 139 HG2 LYS 20 2HG LYS 20 7.841 15.294 1.582 140 HG3 LYS 20 1HG LYS 20 8.093 13.718 0.829 141 HD2 LYS 20 2HD LYS 20 8.308 14.605 -1.225 142 HD3 LYS 20 1HD LYS 20 7.006 15.767 -0.967 143 HE2 LYS 20 2HE LYS 20 8.438 17.294 0.102 144 HE3 LYS 20 1HE LYS 20 9.694 16.082 0.338 145 HZ1 LYS 20 3HZ LYS 20 8.845 17.015 -2.351 146 HZ2 LYS 20 1HZ LYS 20 10.226 16.116 -1.944 147 HZ3 LYS 20 2HZ LYS 20 10.105 17.740 -1.474 148 H GLN 21 H GLN 21 4.337 11.718 1.251 149 HA GLN 21 HA GLN 21 1.709 12.818 1.392 150 HB2 GLN 21 2HB GLN 21 3.006 10.622 0.171 151 HB3 GLN 21 1HB GLN 21 1.744 9.950 1.186 152 HG2 GLN 21 2HG GLN 21 0.111 10.687 -0.163 153 HG3 GLN 21 1HG GLN 21 0.903 12.243 -0.412 154 HE21 GLN 21 1HE2 GLN 21 -0.228 9.766 -2.064 155 HE22 GLN 21 2HE2 GLN 21 0.893 9.689 -3.377 156 H ALA 22 H ALA 22 3.746 10.949 3.471 157 HA ALA 22 HA ALA 22 1.717 9.734 5.053 158 HB1 ALA 22 1HB ALA 22 3.412 8.627 5.997 159 HB2 ALA 22 2HB ALA 22 4.416 9.384 4.759 160 HB3 ALA 22 3HB ALA 22 4.298 10.109 6.364 161 H GLU 23 H GLU 23 3.140 12.877 5.050 162 HA GLU 23 HA GLU 23 1.758 13.437 7.585 163 HB2 GLU 23 2HB GLU 23 4.377 14.033 6.887 164 HB3 GLU 23 1HB GLU 23 3.524 15.558 6.675 165 HG2 GLU 23 2HG GLU 23 2.533 14.810 9.057 166 HG3 GLU 23 1HG GLU 23 4.116 14.039 9.130 167 H GLY 24 H GLY 24 1.597 13.814 4.274 168 HA2 GLY 24 1HA GLY 24 0.131 16.310 4.299 169 HA3 GLY 24 2HA GLY 24 0.365 15.248 2.915 170 H THR 25 H THR 25 -0.505 12.934 4.543 171 HA THR 25 HA THR 25 -3.372 13.520 4.818 172 HB THR 25 HB THR 25 -2.964 10.773 4.104 173 HG1 THR 25 1HG THR 25 -1.067 11.743 3.037 174 HG21 THR 25 3HG2 THR 25 -5.068 11.520 3.614 175 HG22 THR 25 1HG2 THR 25 -4.319 11.751 2.030 176 HG23 THR 25 2HG2 THR 25 -4.502 13.119 3.128 177 H THR 26 H THR 26 -4.310 12.707 6.642 178 HA THR 26 HA THR 26 -2.558 11.815 8.705 179 HB THR 26 HB THR 26 -5.442 11.561 9.193 180 HG1 THR 26 1HG THR 26 -5.216 14.128 9.222 181 HG21 THR 26 3HG2 THR 26 -3.108 12.962 10.480 182 HG22 THR 26 1HG2 THR 26 -4.013 11.574 11.076 183 HG23 THR 26 2HG2 THR 26 -4.761 13.171 11.057 184 H CYS 27 H CYS 27 -1.747 9.824 8.239 185 HA CYS 27 HA CYS 27 -3.559 7.601 8.781 186 HB2 CYS 27 2HB CYS 27 -1.744 7.778 6.364 187 HB3 CYS 27 1HB CYS 27 -2.296 6.235 7.010 188 H ASN 28 H ASN 28 -2.606 6.081 10.075 189 HA ASN 28 HA ASN 28 -0.225 6.846 11.428 190 HB2 ASN 28 2HB ASN 28 -2.200 5.558 12.396 191 HB3 ASN 28 1HB ASN 28 -1.547 4.138 11.585 192 HD21 ASN 28 1HD2 ASN 28 -1.127 6.430 14.143 193 HD22 ASN 28 2HD2 ASN 28 0.126 5.574 14.978 194 H VAL 29 H VAL 29 1.811 5.889 11.406 195 HA VAL 29 HA VAL 29 2.733 5.005 8.901 196 HB VAL 29 HB VAL 29 4.328 4.400 11.353 197 HG11 VAL 29 1HG1 VAL 29 5.648 5.931 9.327 198 HG12 VAL 29 2HG1 VAL 29 5.976 4.289 9.874 199 HG13 VAL 29 3HG1 VAL 29 4.805 4.571 8.587 200 HG21 VAL 29 3HG2 VAL 29 3.252 7.042 10.645 201 HG22 VAL 29 1HG2 VAL 29 3.886 6.446 12.179 202 HG23 VAL 29 2HG2 VAL 29 4.994 6.994 10.922 203 H GLY 30 H GLY 30 1.826 3.249 11.821 204 HA2 GLY 30 1HA GLY 30 2.772 0.706 10.820 205 HA3 GLY 30 2HA GLY 30 1.854 0.974 12.294 206 H SER 31 H SER 31 0.103 2.584 10.181 207 HA SER 31 HA SER 31 -1.353 0.264 9.137 208 HB2 SER 31 2HB SER 31 -3.028 2.512 10.079 209 HB3 SER 31 1HB SER 31 -3.310 0.775 10.188 210 HG SER 31 HG SER 31 -1.348 1.107 11.771 211 H ILE 32 H ILE 32 0.425 1.952 7.748 212 HA ILE 32 HA ILE 32 -1.342 3.707 6.212 213 HB ILE 32 HB ILE 32 0.938 4.491 7.125 214 HG12 ILE 32 2HG1 ILE 32 0.838 5.049 4.213 215 HG13 ILE 32 1HG1 ILE 32 -0.623 5.383 5.138 216 HG21 ILE 32 1HG2 ILE 32 1.841 2.766 4.847 217 HG22 ILE 32 2HG2 ILE 32 2.791 4.129 5.432 218 HG23 ILE 32 3HG2 ILE 32 2.416 2.787 6.511 219 HD11 ILE 32 3HD1 ILE 32 1.582 6.431 6.578 220 HD12 ILE 32 1HD1 ILE 32 1.706 6.960 4.900 221 HD13 ILE 32 2HD1 ILE 32 0.241 7.289 5.822 222 H ALA 33 H ALA 33 -1.808 3.346 4.079 223 HA ALA 33 HA ALA 33 -0.675 0.996 2.783 224 HB1 ALA 33 1HB ALA 33 -2.311 -0.241 3.785 225 HB2 ALA 33 2HB ALA 33 -3.395 1.140 3.960 226 HB3 ALA 33 3HB ALA 33 -3.228 0.344 2.394 227 H CYS 34 H CYS 34 -1.701 0.649 0.624 228 HA CYS 34 HA CYS 34 -2.702 3.161 -0.541 229 HB2 CYS 34 2HB CYS 34 -0.352 2.151 -1.248 230 HB3 CYS 34 1HB CYS 34 -1.358 1.096 -2.235 231 H CYS 35 H CYS 35 -4.402 2.967 -2.023 232 HA CYS 35 HA CYS 35 -5.713 0.336 -2.094 233 HB2 CYS 35 2HB CYS 35 -6.596 2.388 -0.514 234 HB3 CYS 35 1HB CYS 35 -7.511 2.665 -1.992 235 H ASN 36 H ASN 36 -7.273 0.113 -3.870 236 HA ASN 36 HA ASN 36 -7.041 2.006 -6.056 237 HB2 ASN 36 2HB ASN 36 -5.089 0.185 -6.031 238 HB3 ASN 36 1HB ASN 36 -6.340 -0.807 -6.775 239 HD21 ASN 36 1HD2 ASN 36 -4.028 -0.176 -8.107 240 HD22 ASN 36 2HD2 ASN 36 -4.404 0.889 -9.419 241 H SER 37 H SER 37 -8.471 1.475 -7.841 242 HA SER 37 HA SER 37 -11.025 0.673 -7.148 243 HB2 SER 37 2HB SER 37 -10.383 0.120 -9.937 244 HB3 SER 37 1HB SER 37 -11.465 1.336 -9.252 245 HG SER 37 HG SER 37 -8.919 1.605 -10.184 246 HA PRO 38 HA PRO 38 -11.102 -3.661 -6.671 247 HB2 PRO 38 2HB PRO 38 -13.408 -4.255 -8.125 248 HB3 PRO 38 1HB PRO 38 -13.351 -3.766 -6.428 249 HG2 PRO 38 2HG PRO 38 -13.908 -2.128 -8.858 250 HG3 PRO 38 1HG PRO 38 -14.639 -2.035 -7.244 251 HD2 PRO 38 2HD PRO 38 -12.813 -0.255 -8.039 252 HD3 PRO 38 1HD PRO 38 -12.842 -0.853 -6.365 253 H ALA 39 H ALA 39 -11.647 -2.503 -9.990 254 HA ALA 39 HA ALA 39 -11.215 -5.051 -11.185 255 HB1 ALA 39 1HB ALA 39 -10.970 -2.374 -12.534 256 HB2 ALA 39 2HB ALA 39 -11.333 -3.931 -13.279 257 HB3 ALA 39 3HB ALA 39 -12.510 -3.169 -12.210 258 H GLU 40 H GLU 40 -9.111 -2.774 -9.869 259 HA GLU 40 HA GLU 40 -6.846 -3.700 -11.489 260 HB2 GLU 40 2HB GLU 40 -7.216 -1.303 -9.693 261 HB3 GLU 40 1HB GLU 40 -5.630 -1.811 -10.254 262 HG2 GLU 40 2HG GLU 40 -6.046 -0.363 -11.909 263 HG3 GLU 40 1HG GLU 40 -6.919 -1.729 -12.599 264 H THR 41 H THR 41 -7.792 -3.070 -8.150 265 HA THR 41 HA THR 41 -5.662 -4.328 -6.852 266 HB THR 41 HB THR 41 -8.531 -4.190 -5.895 267 HG1 THR 41 1HG THR 41 -8.261 -2.105 -5.680 268 HG21 THR 41 3HG2 THR 41 -6.212 -3.817 -4.091 269 HG22 THR 41 1HG2 THR 41 -6.548 -5.451 -4.655 270 HG23 THR 41 2HG2 THR 41 -7.785 -4.549 -3.781 271 H ASN 42 H ASN 42 -8.644 -5.574 -8.184 272 HA ASN 42 HA ASN 42 -8.010 -8.276 -7.233 273 HB2 ASN 42 2HB ASN 42 -10.490 -6.790 -7.787 274 HB3 ASN 42 1HB ASN 42 -10.488 -8.479 -8.270 275 HD21 ASN 42 1HD2 ASN 42 -9.542 -6.436 -5.563 276 HD22 ASN 42 2HD2 ASN 42 -10.099 -7.506 -4.326 277 H ASN 43 H ASN 43 -7.001 -6.686 -9.655 278 HA ASN 43 HA ASN 43 -7.994 -7.764 -12.028 279 HB2 ASN 43 2HB ASN 43 -6.197 -5.899 -11.611 280 HB3 ASN 43 1HB ASN 43 -5.060 -7.237 -11.741 281 HD21 ASN 43 1HD2 ASN 43 -7.665 -5.556 -13.420 282 HD22 ASN 43 2HD2 ASN 43 -7.119 -5.948 -15.019 283 H ASP 44 H ASP 44 -5.846 -9.125 -9.659 284 HA ASP 44 HA ASP 44 -5.850 -11.635 -11.200 285 HB2 ASP 44 2HB ASP 44 -3.573 -10.631 -10.687 286 HB3 ASP 44 1HB ASP 44 -3.919 -10.932 -8.983 287 H SER 45 H SER 45 -6.786 -13.373 -10.277 288 HA SER 45 HA SER 45 -8.584 -12.954 -8.136 289 HB2 SER 45 2HB SER 45 -7.717 -15.584 -9.355 290 HB3 SER 45 1HB SER 45 -9.195 -15.285 -8.436 291 HG SER 45 HG SER 45 -8.474 -14.239 -10.981 292 H LEU 46 H LEU 46 -5.288 -14.037 -8.203 293 HA LEU 46 HA LEU 46 -5.469 -15.155 -5.509 294 HB2 LEU 46 2HB LEU 46 -4.025 -16.131 -7.354 295 HB3 LEU 46 1HB LEU 46 -2.993 -14.724 -7.177 296 HG LEU 46 HG LEU 46 -2.818 -15.430 -4.701 297 HD11 LEU 46 1HD1 LEU 46 -4.640 -17.089 -4.804 298 HD12 LEU 46 2HD1 LEU 46 -3.672 -18.051 -5.920 299 HD13 LEU 46 3HD1 LEU 46 -3.115 -17.793 -4.271 300 HD21 LEU 46 3HD2 LEU 46 -1.202 -17.390 -5.613 301 HD22 LEU 46 1HD2 LEU 46 -1.477 -16.484 -7.100 302 HD23 LEU 46 2HD2 LEU 46 -0.805 -15.671 -5.687 303 H LEU 47 H LEU 47 -4.664 -12.260 -7.143 304 HA LEU 47 HA LEU 47 -2.849 -11.084 -5.358 305 HB2 LEU 47 2HB LEU 47 -4.010 -10.410 -7.766 306 HB3 LEU 47 1HB LEU 47 -4.667 -9.208 -6.671 307 HG LEU 47 HG LEU 47 -2.482 -8.402 -6.115 308 HD11 LEU 47 1HD1 LEU 47 -1.543 -10.850 -6.307 309 HD12 LEU 47 2HD1 LEU 47 -1.113 -10.326 -7.935 310 HD13 LEU 47 3HD1 LEU 47 -0.488 -9.455 -6.534 311 HD21 LEU 47 3HD2 LEU 47 -1.940 -7.386 -8.105 312 HD22 LEU 47 1HD2 LEU 47 -2.215 -8.846 -9.054 313 HD23 LEU 47 2HD2 LEU 47 -3.587 -7.929 -8.432 314 H SER 48 H SER 48 -6.378 -11.139 -5.416 315 HA SER 48 HA SER 48 -6.800 -9.098 -3.526 316 HB2 SER 48 2HB SER 48 -8.922 -10.983 -3.380 317 HB3 SER 48 1HB SER 48 -8.879 -9.447 -4.247 318 HG SER 48 HG SER 48 -9.182 -10.856 -5.843 319 H GLY 49 H GLY 49 -5.771 -12.363 -3.120 320 HA2 GLY 49 1HA GLY 49 -6.472 -12.339 -0.273 321 HA3 GLY 49 2HA GLY 49 -5.832 -13.711 -1.167 322 H LEU 50 H LEU 50 -3.950 -11.390 -2.243 323 HA LEU 50 HA LEU 50 -1.804 -12.114 -0.437 324 HB2 LEU 50 2HB LEU 50 -2.070 -11.224 -3.174 325 HB3 LEU 50 1HB LEU 50 -0.856 -10.283 -2.329 326 HG LEU 50 HG LEU 50 0.215 -12.459 -1.650 327 HD11 LEU 50 1HD1 LEU 50 -1.758 -13.547 -3.646 328 HD12 LEU 50 2HD1 LEU 50 -0.338 -14.420 -3.069 329 HD13 LEU 50 3HD1 LEU 50 -1.617 -13.972 -1.942 330 HD21 LEU 50 3HD2 LEU 50 0.007 -11.799 -4.587 331 HD22 LEU 50 1HD2 LEU 50 1.146 -11.112 -3.428 332 HD23 LEU 50 2HD2 LEU 50 1.254 -12.817 -3.864 333 H LEU 51 H LEU 51 -3.874 -9.412 -1.042 334 HA LEU 51 HA LEU 51 -2.100 -7.454 0.097 335 HB2 LEU 51 2HB LEU 51 -4.316 -6.066 0.012 336 HB3 LEU 51 1HB LEU 51 -3.440 -6.450 -1.459 337 HG LEU 51 HG LEU 51 -5.158 -8.573 -1.252 338 HD11 LEU 51 1HD1 LEU 51 -7.289 -6.823 -0.979 339 HD12 LEU 51 2HD1 LEU 51 -6.789 -8.068 0.169 340 HD13 LEU 51 3HD1 LEU 51 -6.211 -6.413 0.357 341 HD21 LEU 51 3HD2 LEU 51 -6.292 -6.276 -2.664 342 HD22 LEU 51 1HD2 LEU 51 -4.595 -6.579 -3.037 343 HD23 LEU 51 2HD2 LEU 51 -5.792 -7.852 -3.278 344 H GLY 52 H GLY 52 -4.143 -9.760 1.397 345 HA2 GLY 52 1HA GLY 52 -4.263 -8.276 3.941 346 HA3 GLY 52 2HA GLY 52 -5.620 -9.236 3.372 347 H ALA 53 H ALA 53 -2.440 -9.298 4.756 348 HA ALA 53 HA ALA 53 -2.180 -12.153 4.695 349 HB1 ALA 53 1HB ALA 53 -0.104 -11.833 5.815 350 HB2 ALA 53 2HB ALA 53 -0.261 -10.500 4.670 351 HB3 ALA 53 3HB ALA 53 -0.581 -10.232 6.384 352 H GLY 54 H GLY 54 -4.315 -12.507 5.677 353 HA2 GLY 54 1HA GLY 54 -4.251 -13.636 8.133 354 HA3 GLY 54 2HA GLY 54 -4.638 -11.958 8.499 355 H LEU 55 H LEU 55 -6.496 -11.052 7.164 356 HA LEU 55 HA LEU 55 -8.512 -13.091 6.534 357 HB2 LEU 55 2HB LEU 55 -9.107 -12.473 8.741 358 HB3 LEU 55 1HB LEU 55 -8.793 -10.776 8.434 359 HG LEU 55 HG LEU 55 -10.775 -11.034 6.720 360 HD11 LEU 55 1HD1 LEU 55 -12.425 -12.638 7.335 361 HD12 LEU 55 2HD1 LEU 55 -10.911 -13.502 7.088 362 HD13 LEU 55 3HD1 LEU 55 -11.478 -13.167 8.722 363 HD21 LEU 55 3HD2 LEU 55 -12.174 -10.065 8.300 364 HD22 LEU 55 1HD2 LEU 55 -11.511 -11.024 9.622 365 HD23 LEU 55 2HD2 LEU 55 -10.562 -9.712 8.923 366 H LEU 56 H LEU 56 -7.518 -9.727 6.388 367 HA LEU 56 HA LEU 56 -7.583 -8.154 4.798 368 HB2 LEU 56 2HB LEU 56 -7.264 -8.736 2.671 369 HB3 LEU 56 1HB LEU 56 -7.185 -10.361 3.325 370 HG LEU 56 HG LEU 56 -9.885 -10.032 2.810 371 HD11 LEU 56 1HD1 LEU 56 -9.333 -9.395 0.201 372 HD12 LEU 56 2HD1 LEU 56 -10.087 -8.325 1.384 373 HD13 LEU 56 3HD1 LEU 56 -8.349 -8.240 1.101 374 HD21 LEU 56 3HD2 LEU 56 -9.083 -11.322 0.610 375 HD22 LEU 56 1HD2 LEU 56 -7.608 -11.447 1.565 376 HD23 LEU 56 2HD2 LEU 56 -9.127 -12.076 2.202 377 H ASN 57 H ASN 57 -8.878 -6.575 4.460 378 HA ASN 57 HA ASN 57 -11.645 -7.023 3.698 379 HB2 ASN 57 2HB ASN 57 -11.211 -6.458 6.267 380 HB3 ASN 57 1HB ASN 57 -11.070 -4.820 5.632 381 HD21 ASN 57 1HD2 ASN 57 -13.075 -5.971 7.389 382 HD22 ASN 57 2HD2 ASN 57 -14.588 -5.746 6.603 383 H GLY 58 H GLY 58 -12.486 -4.558 3.298 384 HA2 GLY 58 1HA GLY 58 -10.418 -3.416 1.510 385 HA3 GLY 58 2HA GLY 58 -12.135 -3.454 1.120 386 H LEU 59 H LEU 59 -12.291 -1.227 0.874 387 HA LEU 59 HA LEU 59 -11.619 0.654 2.863 388 HB2 LEU 59 2HB LEU 59 -12.797 0.669 0.312 389 HB3 LEU 59 1HB LEU 59 -13.995 1.372 1.376 390 HG LEU 59 HG LEU 59 -11.588 2.635 2.039 391 HD11 LEU 59 1HD1 LEU 59 -11.101 1.590 -0.381 392 HD12 LEU 59 2HD1 LEU 59 -11.883 3.102 -0.852 393 HD13 LEU 59 3HD1 LEU 59 -10.442 3.134 0.166 394 HD21 LEU 59 3HD2 LEU 59 -14.204 3.269 1.454 395 HD22 LEU 59 1HD2 LEU 59 -12.934 4.398 1.919 396 HD23 LEU 59 2HD2 LEU 59 -13.280 4.113 0.215 397 H SER 60 H SER 60 -13.079 1.752 4.332 398 HA SER 60 HA SER 60 -14.528 0.116 5.989 399 HB2 SER 60 2HB SER 60 -15.090 3.060 5.624 400 HB3 SER 60 1HB SER 60 -15.292 2.100 7.086 401 HG SER 60 HG SER 60 -13.371 2.867 7.495 402 H GLY 61 H GLY 61 -16.107 -1.187 5.237 403 HA2 GLY 61 1HA GLY 61 -18.280 -1.749 4.695 404 HA3 GLY 61 2HA GLY 61 -18.660 -0.036 4.624 405 H ASN 62 H ASN 62 -16.008 -1.117 2.743 406 HA ASN 62 HA ASN 62 -17.652 -0.939 0.301 407 HB2 ASN 62 2HB ASN 62 -15.801 0.894 1.124 408 HB3 ASN 62 1HB ASN 62 -14.829 -0.149 0.095 409 HD21 ASN 62 1HD2 ASN 62 -14.626 1.826 -1.135 410 HD22 ASN 62 2HD2 ASN 62 -15.834 2.208 -2.303 411 H THR 63 H THR 63 -17.786 -3.159 -0.048 412 HA THR 63 HA THR 63 -15.428 -4.805 -0.015 413 HB THR 63 HB THR 63 -17.500 -6.113 -1.430 414 HG1 THR 63 1HG THR 63 -18.867 -5.581 0.804 415 HG21 THR 63 3HG2 THR 63 -15.787 -6.884 0.360 416 HG22 THR 63 1HG2 THR 63 -17.372 -7.657 0.318 417 HG23 THR 63 2HG2 THR 63 -17.030 -6.410 1.521 418 H GLY 64 H GLY 64 -13.974 -4.183 -1.525 419 HA2 GLY 64 1HA GLY 64 -13.895 -5.185 -4.017 420 HA3 GLY 64 2HA GLY 64 -14.764 -3.676 -4.269 421 H SER 65 H SER 65 -13.613 -1.841 -2.849 422 HA SER 65 HA SER 65 -10.946 -1.593 -3.903 423 HB2 SER 65 2HB SER 65 -11.668 0.474 -2.020 424 HB3 SER 65 1HB SER 65 -11.427 0.596 -3.763 425 HG SER 65 HG SER 65 -13.519 0.526 -4.071 426 H ALA 66 H ALA 66 -9.931 -3.327 -2.772 427 HA ALA 66 HA ALA 66 -9.636 -3.067 0.109 428 HB1 ALA 66 1HB ALA 66 -8.151 -5.061 -1.552 429 HB2 ALA 66 2HB ALA 66 -8.736 -5.199 0.108 430 HB3 ALA 66 3HB ALA 66 -9.875 -5.275 -1.238 431 H CYS 67 H CYS 67 -7.543 -2.831 1.109 432 HA CYS 67 HA CYS 67 -5.633 -1.446 -0.653 433 HB2 CYS 67 2HB CYS 67 -5.892 -0.540 2.173 434 HB3 CYS 67 1HB CYS 67 -5.448 0.372 0.737 435 H ALA 68 H ALA 68 -3.526 -1.886 -0.398 436 HA ALA 68 HA ALA 68 -2.800 -3.873 1.649 437 HB1 ALA 68 1HB ALA 68 -0.772 -3.485 -0.354 438 HB2 ALA 68 2HB ALA 68 -1.663 -4.949 0.071 439 HB3 ALA 68 3HB ALA 68 -2.330 -3.824 -1.111 440 H LYS 69 H LYS 69 -1.079 -3.512 2.990 441 HA LYS 69 HA LYS 69 -0.387 -0.690 3.287 442 HB2 LYS 69 2HB LYS 69 0.607 -2.046 5.498 443 HB3 LYS 69 1HB LYS 69 -0.905 -1.155 5.421 444 HG2 LYS 69 2HG LYS 69 -0.919 -3.981 4.499 445 HG3 LYS 69 1HG LYS 69 -0.798 -3.673 6.233 446 HD2 LYS 69 2HD LYS 69 -2.918 -2.921 6.372 447 HD3 LYS 69 1HD LYS 69 -2.834 -2.094 4.818 448 HE2 LYS 69 2HE LYS 69 -3.639 -3.875 3.679 449 HE3 LYS 69 1HE LYS 69 -2.803 -5.039 4.706 450 HZ1 LYS 69 3HZ LYS 69 -4.935 -5.417 5.345 451 HZ2 LYS 69 1HZ LYS 69 -5.451 -3.835 5.032 452 HZ3 LYS 69 2HZ LYS 69 -4.568 -4.178 6.437 453 H ALA 70 H ALA 70 1.845 -0.260 4.206 454 HA ALA 70 HA ALA 70 3.799 -1.069 2.354 455 HB1 ALA 70 1HB ALA 70 3.698 0.605 4.747 456 HB2 ALA 70 2HB ALA 70 5.267 -0.158 4.479 457 HB3 ALA 70 3HB ALA 70 4.549 0.851 3.222 458 H SER 71 H SER 71 2.939 -2.292 5.528 459 HA SER 71 HA SER 71 5.154 -4.007 5.885 460 HB2 SER 71 2HB SER 71 2.894 -5.153 7.132 461 HB3 SER 71 1HB SER 71 4.117 -4.123 7.876 462 HG SER 71 HG SER 71 2.427 -2.874 8.177 463 H LEU 72 H LEU 72 2.175 -4.252 4.112 464 HA LEU 72 HA LEU 72 2.371 -7.085 3.635 465 HB2 LEU 72 2HB LEU 72 0.386 -5.098 3.366 466 HB3 LEU 72 1HB LEU 72 0.673 -5.730 1.756 467 HG LEU 72 HG LEU 72 -0.998 -7.118 2.470 468 HD11 LEU 72 1HD1 LEU 72 0.553 -8.701 1.829 469 HD12 LEU 72 2HD1 LEU 72 1.619 -8.359 3.190 470 HD13 LEU 72 3HD1 LEU 72 0.117 -9.244 3.448 471 HD21 LEU 72 3HD2 LEU 72 -1.121 -6.123 4.718 472 HD22 LEU 72 1HD2 LEU 72 -1.337 -7.875 4.730 473 HD23 LEU 72 2HD2 LEU 72 0.202 -7.175 5.227 474 H ILE 73 H ILE 73 3.574 -4.211 2.203 475 HA ILE 73 HA ILE 73 3.900 -5.132 -0.440 476 HB ILE 73 HB ILE 73 4.738 -2.812 1.117 477 HG12 ILE 73 2HG1 ILE 73 4.638 -2.182 -1.599 478 HG13 ILE 73 1HG1 ILE 73 3.460 -3.474 -1.397 479 HG21 ILE 73 1HG2 ILE 73 6.946 -2.965 0.705 480 HG22 ILE 73 2HG2 ILE 73 6.735 -4.100 -0.627 481 HG23 ILE 73 3HG2 ILE 73 6.483 -2.373 -0.892 482 HD11 ILE 73 3HD1 ILE 73 2.048 -1.881 -0.774 483 HD12 ILE 73 1HD1 ILE 73 2.958 -1.804 0.735 484 HD13 ILE 73 2HD1 ILE 73 3.342 -0.700 -0.585 485 H ASP 74 H ASP 74 5.997 -5.246 2.417 486 HA ASP 74 HA ASP 74 8.020 -6.714 0.925 487 HB2 ASP 74 2HB ASP 74 8.320 -4.929 2.903 488 HB3 ASP 74 1HB ASP 74 8.251 -6.399 3.871 489 H GLN 75 H GLN 75 5.181 -7.481 2.294 490 HA GLN 75 HA GLN 75 6.050 -10.032 3.415 491 HB2 GLN 75 2HB GLN 75 4.036 -8.297 4.126 492 HB3 GLN 75 1HB GLN 75 3.167 -9.546 3.243 493 HG2 GLN 75 2HG GLN 75 3.104 -10.257 5.442 494 HG3 GLN 75 1HG GLN 75 4.410 -11.201 4.728 495 HE21 GLN 75 1HE2 GLN 75 5.551 -8.134 4.979 496 HE22 GLN 75 2HE2 GLN 75 6.334 -8.250 6.512 497 H LEU 76 H LEU 76 3.788 -8.811 0.952 498 HA LEU 76 HA LEU 76 3.988 -11.440 -0.362 499 HB2 LEU 76 2HB LEU 76 1.653 -9.733 0.256 500 HB3 LEU 76 1HB LEU 76 1.652 -10.484 -1.330 501 HG LEU 76 HG LEU 76 0.454 -11.981 0.025 502 HD11 LEU 76 1HD1 LEU 76 3.270 -12.788 -0.457 503 HD12 LEU 76 2HD1 LEU 76 2.260 -13.852 0.516 504 HD13 LEU 76 3HD1 LEU 76 1.777 -13.437 -1.128 505 HD21 LEU 76 3HD2 LEU 76 0.587 -11.869 2.236 506 HD22 LEU 76 1HD2 LEU 76 2.169 -12.645 2.171 507 HD23 LEU 76 2HD2 LEU 76 2.048 -10.886 2.117 508 H GLY 77 H GLY 77 3.455 -7.955 -0.981 509 HA2 GLY 77 1HA GLY 77 4.851 -6.820 -2.577 510 HA3 GLY 77 2HA GLY 77 5.050 -8.344 -3.431 511 H LEU 78 H LEU 78 2.222 -6.444 -2.377 512 HA LEU 78 HA LEU 78 0.659 -7.121 -4.624 513 HB2 LEU 78 2HB LEU 78 0.442 -5.015 -2.501 514 HB3 LEU 78 1HB LEU 78 -0.685 -5.041 -3.843 515 HG LEU 78 HG LEU 78 -1.698 -6.152 -1.988 516 HD11 LEU 78 1HD1 LEU 78 -1.838 -7.146 -4.355 517 HD12 LEU 78 2HD1 LEU 78 -0.781 -8.409 -3.734 518 HD13 LEU 78 3HD1 LEU 78 -2.363 -8.148 -3.000 519 HD21 LEU 78 3HD2 LEU 78 -0.717 -7.802 -0.681 520 HD22 LEU 78 1HD2 LEU 78 0.496 -8.182 -1.901 521 HD23 LEU 78 2HD2 LEU 78 0.615 -6.685 -0.977 522 H LEU 79 H LEU 79 1.744 -6.679 -6.532 523 HA LEU 79 HA LEU 79 2.906 -4.142 -7.074 524 HB2 LEU 79 2HB LEU 79 3.049 -5.025 -9.425 525 HB3 LEU 79 1HB LEU 79 3.835 -5.999 -8.195 526 HG LEU 79 HG LEU 79 1.135 -6.918 -8.553 527 HD11 LEU 79 1HD1 LEU 79 2.670 -6.301 -11.017 528 HD12 LEU 79 2HD1 LEU 79 1.807 -7.836 -10.942 529 HD13 LEU 79 3HD1 LEU 79 0.928 -6.321 -10.741 530 HD21 LEU 79 3HD2 LEU 79 2.592 -8.465 -7.678 531 HD22 LEU 79 1HD2 LEU 79 2.559 -8.957 -9.370 532 HD23 LEU 79 2HD2 LEU 79 3.906 -8.000 -8.758 533 H ALA 80 H ALA 80 -0.302 -5.201 -7.090 534 HA ALA 80 HA ALA 80 -1.220 -3.429 -9.189 535 HB1 ALA 80 1HB ALA 80 -2.278 -5.689 -7.929 536 HB2 ALA 80 2HB ALA 80 -3.322 -4.351 -7.442 537 HB3 ALA 80 3HB ALA 80 -3.055 -4.684 -9.153 538 H LEU 81 H LEU 81 -0.412 -3.166 -5.921 539 HA LEU 81 HA LEU 81 -2.184 -0.856 -5.565 540 HB2 LEU 81 2HB LEU 81 -1.521 -3.044 -3.880 541 HB3 LEU 81 1HB LEU 81 -0.888 -1.589 -3.139 542 HG LEU 81 HG LEU 81 -2.904 -1.090 -2.353 543 HD11 LEU 81 1HD1 LEU 81 -3.868 -1.299 -5.194 544 HD12 LEU 81 2HD1 LEU 81 -4.786 -0.614 -3.852 545 HD13 LEU 81 3HD1 LEU 81 -3.287 0.154 -4.378 546 HD21 LEU 81 3HD2 LEU 81 -3.526 -3.263 -1.970 547 HD22 LEU 81 1HD2 LEU 81 -4.846 -2.716 -3.004 548 HD23 LEU 81 2HD2 LEU 81 -3.534 -3.681 -3.685 549 H VAL 82 H VAL 82 1.046 -1.744 -6.038 550 HA VAL 82 HA VAL 82 1.926 0.860 -5.007 551 HB VAL 82 HB VAL 82 2.873 -1.417 -4.058 552 HG11 VAL 82 1HG1 VAL 82 3.600 -2.090 -6.425 553 HG12 VAL 82 2HG1 VAL 82 4.933 -0.960 -6.178 554 HG13 VAL 82 3HG1 VAL 82 4.730 -2.336 -5.096 555 HG21 VAL 82 3HG2 VAL 82 3.610 1.183 -3.908 556 HG22 VAL 82 1HG2 VAL 82 4.379 -0.132 -3.018 557 HG23 VAL 82 2HG2 VAL 82 5.086 0.442 -4.530 558 H ASP 83 H ASP 83 2.965 2.244 -6.316 559 HA ASP 83 HA ASP 83 3.522 1.346 -9.070 560 HB2 ASP 83 2HB ASP 83 1.747 3.223 -8.538 561 HB3 ASP 83 1HB ASP 83 3.175 4.247 -8.412 562 H HIS 84 H HIS 84 5.263 3.147 -10.038 563 HA HIS 84 HA HIS 84 7.427 3.135 -8.056 564 HB2 HIS 84 2HB HIS 84 7.224 1.418 -10.410 565 HB3 HIS 84 1HB HIS 84 8.746 2.299 -10.308 566 HD1 HIS 84 1HD HIS 84 6.609 -0.060 -8.269 567 HD2 HIS 84 2HD HIS 84 10.529 1.308 -8.495 568 HE1 HIS 84 1HE HIS 84 7.884 -1.373 -6.556 569 HE2 HIS 84 2HE HIS 84 10.303 -0.736 -6.920 570 H THR 85 H THR 85 8.412 4.966 -7.975 571 HA THR 85 HA THR 85 8.816 6.507 -10.452 572 HB THR 85 HB THR 85 9.370 8.323 -8.543 573 HG1 THR 85 1HG THR 85 8.761 7.414 -6.699 574 HG21 THR 85 3HG2 THR 85 6.892 8.999 -8.768 575 HG22 THR 85 1HG2 THR 85 6.749 7.585 -9.815 576 HG23 THR 85 2HG2 THR 85 7.858 8.890 -10.243 577 H GLU 86 H GLU 86 10.878 8.138 -9.605 578 HA GLU 86 HA GLU 86 13.084 6.313 -9.694 579 HB2 GLU 86 2HB GLU 86 13.829 9.027 -9.003 580 HB3 GLU 86 1HB GLU 86 14.250 8.073 -10.416 581 HG2 GLU 86 2HG GLU 86 12.050 8.674 -11.398 582 HG3 GLU 86 1HG GLU 86 11.788 9.755 -10.028 583 H GLU 87 H GLU 87 11.460 8.138 -7.239 584 HA GLU 87 HA GLU 87 13.512 7.918 -5.264 585 HB2 GLU 87 2HB GLU 87 10.583 8.614 -5.021 586 HB3 GLU 87 1HB GLU 87 11.766 8.770 -3.726 587 HG2 GLU 87 2HG GLU 87 11.853 10.886 -4.465 588 HG3 GLU 87 1HG GLU 87 13.003 10.203 -5.613 589 H GLY 88 H GLY 88 11.177 5.743 -6.448 590 HA2 GLY 88 1HA GLY 88 11.757 3.454 -5.448 591 HA3 GLY 88 2HA GLY 88 11.254 4.217 -3.941 592 HA PRO 89 HA PRO 89 7.438 2.297 -5.742 593 HB2 PRO 89 2HB PRO 89 6.778 0.847 -3.554 594 HB3 PRO 89 1HB PRO 89 7.856 0.232 -4.811 595 HG2 PRO 89 2HG PRO 89 8.518 1.376 -2.136 596 HG3 PRO 89 1HG PRO 89 9.253 0.005 -2.987 597 HD2 PRO 89 2HD PRO 89 10.359 2.510 -2.893 598 HD3 PRO 89 1HD PRO 89 10.648 1.346 -4.199 599 H VAL 90 H VAL 90 5.732 3.546 -5.627 600 HA VAL 90 HA VAL 90 5.157 4.988 -3.121 601 HB VAL 90 HB VAL 90 4.170 6.726 -4.801 602 HG11 VAL 90 1HG1 VAL 90 5.867 7.459 -3.395 603 HG12 VAL 90 2HG1 VAL 90 7.042 6.316 -4.052 604 HG13 VAL 90 3HG1 VAL 90 6.550 7.720 -5.004 605 HG21 VAL 90 3HG2 VAL 90 4.407 6.055 -6.935 606 HG22 VAL 90 1HG2 VAL 90 6.074 6.602 -6.756 607 HG23 VAL 90 2HG2 VAL 90 5.678 4.895 -6.534 608 H CYS 91 H CYS 91 2.808 6.065 -3.501 609 HA CYS 91 HA CYS 91 0.990 3.877 -3.591 610 HB2 CYS 91 2HB CYS 91 0.946 6.468 -2.567 611 HB3 CYS 91 1HB CYS 91 -0.270 6.485 -3.839 612 H LYS 92 H LYS 92 -0.198 3.124 -5.244 613 HA LYS 92 HA LYS 92 0.456 4.089 -7.871 614 HB2 LYS 92 2HB LYS 92 0.180 1.650 -7.197 615 HB3 LYS 92 1HB LYS 92 -1.554 1.950 -7.203 616 HG2 LYS 92 2HG LYS 92 -1.665 2.067 -9.463 617 HG3 LYS 92 1HG LYS 92 -0.042 2.743 -9.620 618 HD2 LYS 92 2HD LYS 92 0.925 0.560 -9.141 619 HD3 LYS 92 1HD LYS 92 -0.692 -0.113 -8.938 620 HE2 LYS 92 2HE LYS 92 -0.463 -0.681 -11.105 621 HE3 LYS 92 1HE LYS 92 -0.920 0.997 -11.391 622 HZ1 LYS 92 3HZ LYS 92 1.433 1.575 -11.487 623 HZ2 LYS 92 1HZ LYS 92 1.037 0.403 -12.650 624 HZ3 LYS 92 2HZ LYS 92 1.855 -0.052 -11.239 625 H ASN 93 H ASN 93 -2.193 4.493 -5.661 626 HA ASN 93 HA ASN 93 -3.615 6.107 -7.598 627 HB2 ASN 93 2HB ASN 93 -4.303 3.340 -7.207 628 HB3 ASN 93 1HB ASN 93 -5.626 4.364 -6.662 629 HD21 ASN 93 1HD2 ASN 93 -3.476 3.757 -9.398 630 HD22 ASN 93 2HD2 ASN 93 -4.604 4.237 -10.613 631 H ILE 94 H ILE 94 -5.124 4.361 -4.947 632 HA ILE 94 HA ILE 94 -5.952 6.943 -3.848 633 HB ILE 94 HB ILE 94 -7.027 4.142 -3.482 634 HG12 ILE 94 2HG1 ILE 94 -8.801 6.257 -4.463 635 HG13 ILE 94 1HG1 ILE 94 -7.426 5.952 -5.520 636 HG21 ILE 94 1HG2 ILE 94 -7.952 6.703 -2.195 637 HG22 ILE 94 2HG2 ILE 94 -8.899 5.216 -2.246 638 HG23 ILE 94 3HG2 ILE 94 -7.357 5.250 -1.389 639 HD11 ILE 94 3HD1 ILE 94 -9.771 4.602 -5.591 640 HD12 ILE 94 1HD1 ILE 94 -8.233 3.987 -6.199 641 HD13 ILE 94 2HD1 ILE 94 -8.787 3.535 -4.585 642 H VAL 95 H VAL 95 -5.543 7.578 -1.779 643 HA VAL 95 HA VAL 95 -3.580 5.955 -0.292 644 HB VAL 95 HB VAL 95 -4.277 8.859 0.163 645 HG11 VAL 95 1HG1 VAL 95 -1.854 8.687 1.130 646 HG12 VAL 95 2HG1 VAL 95 -3.239 8.176 2.095 647 HG13 VAL 95 3HG1 VAL 95 -2.251 6.974 1.267 648 HG21 VAL 95 3HG2 VAL 95 -3.378 8.880 -1.987 649 HG22 VAL 95 1HG2 VAL 95 -1.990 9.202 -0.948 650 HG23 VAL 95 2HG2 VAL 95 -2.234 7.587 -1.621 651 H ALA 96 H ALA 96 -4.187 4.934 1.496 652 HA ALA 96 HA ALA 96 -6.381 5.971 3.107 653 HB1 ALA 96 1HB ALA 96 -7.538 4.549 1.539 654 HB2 ALA 96 2HB ALA 96 -6.418 3.224 1.854 655 HB3 ALA 96 3HB ALA 96 -7.519 3.768 3.121 656 H CYS 97 H CYS 97 -6.507 4.955 5.221 657 HA CYS 97 HA CYS 97 -3.939 3.755 5.994 658 HB2 CYS 97 2HB CYS 97 -5.620 4.543 8.226 659 HB3 CYS 97 1HB CYS 97 -3.963 5.006 7.848 660 H CYS 98 H CYS 98 -3.878 1.704 6.664 661 HA CYS 98 HA CYS 98 -6.420 0.331 7.189 662 HB2 CYS 98 2HB CYS 98 -5.661 0.200 4.742 663 HB3 CYS 98 1HB CYS 98 -4.341 -0.807 5.325 664 HA PRO 99 HA PRO 99 -3.935 -1.589 10.386 665 HB2 PRO 99 2HB PRO 99 -5.742 -3.553 11.000 666 HB3 PRO 99 1HB PRO 99 -5.870 -1.891 11.585 667 HG2 PRO 99 2HG PRO 99 -7.262 -3.194 9.276 668 HG3 PRO 99 1HG PRO 99 -7.920 -2.098 10.508 669 HD2 PRO 99 2HD PRO 99 -7.277 -1.227 8.047 670 HD3 PRO 99 1HD PRO 99 -7.045 -0.215 9.486 671 H GLU 100 H GLU 100 -3.322 -3.953 10.887 672 HA GLU 100 HA GLU 100 -1.696 -4.767 8.826 673 HB2 GLU 100 2HB GLU 100 -2.279 -5.622 11.484 674 HB3 GLU 100 1HB GLU 100 -2.146 -7.038 10.449 675 HG2 GLU 100 2HG GLU 100 0.055 -6.569 9.879 676 HG3 GLU 100 1HG GLU 100 -0.068 -4.889 10.404 677 H GLY 101 H GLY 101 -4.062 -7.140 10.043 678 HA2 GLY 101 1HA GLY 101 -4.564 -7.844 7.216 679 HA3 GLY 101 2HA GLY 101 -4.190 -9.064 8.421 680 H THR 102 H THR 102 -6.049 -6.765 9.907 681 HA THR 102 HA THR 102 -8.505 -8.280 9.344 682 HB THR 102 HB THR 102 -8.231 -7.267 12.085 683 HG1 THR 102 1HG THR 102 -6.629 -8.643 12.712 684 HG21 THR 102 3HG2 THR 102 -8.695 -10.016 12.075 685 HG22 THR 102 1HG2 THR 102 -9.517 -9.415 10.636 686 HG23 THR 102 2HG2 THR 102 -9.903 -8.741 12.218 687 H THR 103 H THR 103 -10.378 -7.159 9.274 688 HA THR 103 HA THR 103 -11.890 -5.484 9.360 689 HB THR 103 HB THR 103 -9.902 -3.815 10.914 690 HG1 THR 103 1HG THR 103 -10.602 -4.873 12.750 691 HG21 THR 103 3HG2 THR 103 -11.857 -2.565 10.263 692 HG22 THR 103 1HG2 THR 103 -12.001 -2.952 11.977 693 HG23 THR 103 2HG2 THR 103 -12.923 -3.867 10.787 694 H ASN 104 H ASN 104 -12.382 -3.401 8.486 695 HA ASN 104 HA ASN 104 -11.082 -3.080 5.973 696 HB2 ASN 104 2HB ASN 104 -12.804 -1.079 5.895 697 HB3 ASN 104 1HB ASN 104 -13.352 -2.748 5.770 698 HD21 ASN 104 1HD2 ASN 104 -13.225 0.085 7.772 699 HD22 ASN 104 2HD2 ASN 104 -14.359 -0.460 8.960 700 H CYS 105 H CYS 105 -10.637 -0.864 5.118 701 HA CYS 105 HA CYS 105 -9.013 0.624 7.072 702 HB2 CYS 105 2HB CYS 105 -8.460 1.072 4.227 703 HB3 CYS 105 1HB CYS 105 -7.351 0.714 5.547 704 H VAL 106 H VAL 106 -9.241 2.797 7.226 705 HA VAL 106 HA VAL 106 -11.469 4.072 5.923 706 HB VAL 106 HB VAL 106 -11.293 5.767 7.465 707 HG11 VAL 106 1HG1 VAL 106 -11.356 4.691 9.420 708 HG12 VAL 106 2HG1 VAL 106 -10.966 3.250 8.478 709 HG13 VAL 106 3HG1 VAL 106 -9.681 4.153 9.283 710 HG21 VAL 106 3HG2 VAL 106 -9.068 6.256 8.667 711 HG22 VAL 106 1HG2 VAL 106 -8.330 5.332 7.358 712 HG23 VAL 106 2HG2 VAL 106 -9.255 6.789 6.997 713 H ALA 107 H ALA 107 -11.339 5.803 4.476 714 HA ALA 107 HA ALA 107 -8.687 6.220 3.269 715 HB1 ALA 107 1HB ALA 107 -10.932 6.687 1.475 716 HB2 ALA 107 2HB ALA 107 -9.463 5.742 1.227 717 HB3 ALA 107 3HB ALA 107 -10.845 5.021 2.051 718 H VAL 108 H VAL 108 -8.027 8.224 3.659 719 HA VAL 108 HA VAL 108 -9.936 10.343 4.137 720 HB VAL 108 HB VAL 108 -7.381 11.490 3.988 721 HG11 VAL 108 1HG1 VAL 108 -7.702 11.990 6.260 722 HG12 VAL 108 2HG1 VAL 108 -9.327 11.890 5.578 723 HG13 VAL 108 3HG1 VAL 108 -8.684 10.547 6.525 724 HG21 VAL 108 3HG2 VAL 108 -6.789 9.523 5.973 725 HG22 VAL 108 1HG2 VAL 108 -7.091 8.723 4.429 726 HG23 VAL 108 2HG2 VAL 108 -5.856 9.978 4.544 727 H ASP 109 H ASP 109 -8.471 8.967 1.588 728 HA ASP 109 HA ASP 109 -8.900 11.328 -0.106 729 HB2 ASP 109 2HB ASP 109 -6.663 10.943 -0.529 730 HB3 ASP 109 1HB ASP 109 -6.782 9.224 -0.167 731 H ASN 110 H ASN 110 -10.277 11.095 -1.781 732 HA ASN 110 HA ASN 110 -11.516 8.451 -2.105 733 HB2 ASN 110 2HB ASN 110 -13.562 10.036 -2.802 734 HB3 ASN 110 1HB ASN 110 -13.310 9.483 -1.154 735 HD21 ASN 110 1HD2 ASN 110 -12.020 10.982 0.256 736 HD22 ASN 110 2HD2 ASN 110 -12.278 12.683 0.043 737 H ALA 111 H ALA 111 -9.589 8.630 -3.650 738 HA ALA 111 HA ALA 111 -8.918 8.446 -5.800 739 HB1 ALA 111 1HB ALA 111 -11.678 9.188 -6.729 740 HB2 ALA 111 2HB ALA 111 -10.476 8.185 -7.537 741 HB3 ALA 111 3HB ALA 111 -11.298 7.583 -6.099 742 H GLY 112 H GLY 112 -8.346 10.768 -4.533 743 HA2 GLY 112 1HA GLY 112 -8.348 12.633 -6.819 744 HA3 GLY 112 2HA GLY 112 -8.787 13.222 -5.223 745 H ALA 113 H ALA 113 -6.456 10.789 -5.036 746 HA ALA 113 HA ALA 113 -4.395 12.779 -4.477 747 HB1 ALA 113 1HB ALA 113 -5.006 10.081 -3.524 748 HB2 ALA 113 2HB ALA 113 -3.290 10.362 -3.828 749 HB3 ALA 113 3HB ALA 113 -4.173 11.412 -2.719 750 H GLY 114 H GLY 114 -2.229 10.851 -4.874 751 HA2 GLY 114 1HA GLY 114 -2.171 10.285 -7.705 752 HA3 GLY 114 2HA GLY 114 -1.166 11.643 -7.218 753 H THR 115 H THR 115 0.383 9.997 -8.247 754 HA THR 115 HA THR 115 1.132 7.635 -6.950 755 HB THR 115 HB THR 115 3.480 8.616 -8.043 756 HG1 THR 115 1HG THR 115 1.576 9.355 -9.953 757 HG21 THR 115 3HG2 THR 115 2.868 7.254 -10.027 758 HG22 THR 115 1HG2 THR 115 1.233 7.106 -9.390 759 HG23 THR 115 2HG2 THR 115 2.591 6.411 -8.502 760 H LYS 116 H LYS 116 2.886 10.735 -6.890 761 HA LYS 116 HA LYS 116 3.309 10.511 -4.036 762 HB2 LYS 116 2HB LYS 116 5.845 10.970 -4.507 763 HB3 LYS 116 1HB LYS 116 5.234 9.323 -4.482 764 HG2 LYS 116 2HG LYS 116 5.604 9.008 -6.684 765 HG3 LYS 116 1HG LYS 116 5.202 10.675 -7.102 766 HD2 LYS 116 2HD LYS 116 7.697 10.101 -5.560 767 HD3 LYS 116 1HD LYS 116 7.665 9.813 -7.301 768 HE2 LYS 116 2HE LYS 116 6.545 12.262 -7.212 769 HE3 LYS 116 1HE LYS 116 7.592 12.350 -5.799 770 HZ1 LYS 116 3HZ LYS 116 8.366 11.902 -8.622 771 HZ2 LYS 116 1HZ LYS 116 9.418 11.549 -7.334 772 HZ3 LYS 116 2HZ LYS 116 8.866 13.136 -7.573 773 H ALA 117 H ALA 117 3.812 12.442 -3.075 774 HA ALA 117 HA ALA 117 3.293 14.809 -4.632 775 HB1 ALA 117 1HB ALA 117 3.043 15.924 -2.633 776 HB2 ALA 117 2HB ALA 117 2.609 14.280 -2.166 777 HB3 ALA 117 3HB ALA 117 4.216 14.911 -1.794 778 H GLU 118 H GLU 118 4.746 16.120 -5.525 779 HA GLU 118 HA GLU 118 7.580 15.587 -5.118 780 HB2 GLU 118 2HB GLU 118 6.190 17.475 -7.036 781 HB3 GLU 118 1HB GLU 118 7.913 17.131 -7.014 782 HG2 GLU 118 2HG GLU 118 6.361 14.704 -7.218 783 HG3 GLU 118 1HG GLU 118 5.968 15.842 -8.507 Start of MODEL 5 1 H1 SER 1 1H SER 1 11.748 -14.243 -10.070 2 H2 SER 1 2H SER 1 10.533 -13.419 -9.217 3 H3 SER 1 3H SER 1 10.608 -15.110 -9.163 4 HA SER 1 HA SER 1 12.937 -13.592 -8.278 5 HB2 SER 1 2HB SER 1 11.110 -14.185 -6.094 6 HB3 SER 1 1HB SER 1 11.954 -12.682 -6.472 7 HG SER 1 HG SER 1 9.634 -12.522 -6.576 8 H LEU 2 H LEU 2 14.189 -14.845 -6.808 9 HA LEU 2 HA LEU 2 13.607 -17.716 -7.003 10 HB2 LEU 2 2HB LEU 2 15.948 -16.242 -7.434 11 HB3 LEU 2 1HB LEU 2 16.208 -17.084 -5.918 12 HG LEU 2 HG LEU 2 15.123 -18.735 -8.112 13 HD11 LEU 2 1HD1 LEU 2 17.318 -19.009 -9.160 14 HD12 LEU 2 2HD1 LEU 2 16.700 -17.370 -9.359 15 HD13 LEU 2 3HD1 LEU 2 17.954 -17.703 -8.164 16 HD21 LEU 2 3HD2 LEU 2 17.154 -19.022 -5.919 17 HD22 LEU 2 1HD2 LEU 2 15.619 -19.868 -6.121 18 HD23 LEU 2 2HD2 LEU 2 16.975 -20.233 -7.189 19 HA PRO 3 HA PRO 3 12.438 -17.398 -2.686 20 HB2 PRO 3 2HB PRO 3 11.757 -20.015 -2.401 21 HB3 PRO 3 1HB PRO 3 10.712 -18.832 -3.198 22 HG2 PRO 3 2HG PRO 3 12.582 -20.829 -4.413 23 HG3 PRO 3 1HG PRO 3 10.928 -20.408 -4.896 24 HD2 PRO 3 2HD PRO 3 13.090 -19.440 -6.181 25 HD3 PRO 3 1HD PRO 3 11.601 -18.493 -5.993 26 H ALA 4 H ALA 4 13.204 -18.171 -0.683 27 HA ALA 4 HA ALA 4 14.645 -19.016 0.845 28 HB1 ALA 4 1HB ALA 4 15.564 -21.056 0.559 29 HB2 ALA 4 2HB ALA 4 14.500 -21.075 -0.848 30 HB3 ALA 4 3HB ALA 4 16.208 -20.672 -1.037 31 H SER 5 H SER 5 15.779 -17.634 -2.094 32 HA SER 5 HA SER 5 18.430 -17.101 -1.047 33 HB2 SER 5 2HB SER 5 17.893 -15.592 -3.411 34 HB3 SER 5 1HB SER 5 18.941 -16.998 -3.223 35 HG SER 5 HG SER 5 16.231 -16.885 -3.996 36 H ALA 6 H ALA 6 15.872 -15.986 0.134 37 HA ALA 6 HA ALA 6 15.043 -14.075 1.023 38 HB1 ALA 6 1HB ALA 6 17.413 -12.460 1.024 39 HB2 ALA 6 2HB ALA 6 16.576 -13.229 2.375 40 HB3 ALA 6 3HB ALA 6 17.802 -14.122 1.475 41 H ALA 7 H ALA 7 13.810 -13.651 -0.889 42 HA ALA 7 HA ALA 7 14.916 -11.741 -2.790 43 HB1 ALA 7 1HB ALA 7 13.308 -13.838 -3.200 44 HB2 ALA 7 2HB ALA 7 12.094 -12.569 -3.024 45 HB3 ALA 7 3HB ALA 7 13.346 -12.428 -4.258 46 H LYS 8 H LYS 8 15.072 -10.135 -1.021 47 HA LYS 8 HA LYS 8 12.626 -8.868 -0.162 48 HB2 LYS 8 2HB LYS 8 14.928 -9.008 1.080 49 HB3 LYS 8 1HB LYS 8 15.338 -7.614 0.089 50 HG2 LYS 8 2HG LYS 8 12.754 -7.385 1.427 51 HG3 LYS 8 1HG LYS 8 14.123 -7.527 2.532 52 HD2 LYS 8 2HD LYS 8 15.184 -5.737 0.924 53 HD3 LYS 8 1HD LYS 8 13.496 -5.401 0.538 54 HE2 LYS 8 2HE LYS 8 14.926 -5.130 3.156 55 HE3 LYS 8 1HE LYS 8 13.989 -3.925 2.275 56 HZ1 LYS 8 3HZ LYS 8 12.528 -4.511 3.905 57 HZ2 LYS 8 1HZ LYS 8 13.063 -6.118 3.986 58 HZ3 LYS 8 2HZ LYS 8 12.061 -5.616 2.709 59 H ASN 9 H ASN 9 11.568 -8.109 -1.935 60 HA ASN 9 HA ASN 9 12.988 -6.670 -4.004 61 HB2 ASN 9 2HB ASN 9 10.003 -7.031 -3.780 62 HB3 ASN 9 1HB ASN 9 10.940 -6.693 -5.231 63 HD21 ASN 9 1HD2 ASN 9 9.578 -9.071 -3.273 64 HD22 ASN 9 2HD2 ASN 9 10.254 -10.454 -4.055 65 H ALA 10 H ALA 10 11.017 -5.911 -1.246 66 HA ALA 10 HA ALA 10 10.250 -3.310 -2.232 67 HB1 ALA 10 1HB ALA 10 9.805 -3.762 0.595 68 HB2 ALA 10 2HB ALA 10 8.652 -3.399 -0.688 69 HB3 ALA 10 3HB ALA 10 9.169 -5.063 -0.408 70 H LYS 11 H LYS 11 10.569 -1.376 -0.899 71 HA LYS 11 HA LYS 11 13.142 -1.347 0.525 72 HB2 LYS 11 2HB LYS 11 12.171 0.526 -1.621 73 HB3 LYS 11 1HB LYS 11 13.413 1.001 -0.475 74 HG2 LYS 11 2HG LYS 11 14.981 -0.080 -1.610 75 HG3 LYS 11 1HG LYS 11 14.013 -1.553 -1.684 76 HD2 LYS 11 2HD LYS 11 12.672 -0.253 -3.501 77 HD3 LYS 11 1HD LYS 11 14.128 0.740 -3.594 78 HE2 LYS 11 2HE LYS 11 14.941 -0.778 -5.001 79 HE3 LYS 11 1HE LYS 11 15.093 -1.859 -3.617 80 HZ1 LYS 11 3HZ LYS 11 13.777 -2.575 -5.740 81 HZ2 LYS 11 1HZ LYS 11 12.514 -1.704 -5.019 82 HZ3 LYS 11 2HZ LYS 11 13.215 -3.009 -4.200 83 H LEU 12 H LEU 12 10.638 1.014 -0.301 84 HA LEU 12 HA LEU 12 9.195 2.254 0.909 85 HB2 LEU 12 2HB LEU 12 9.503 -0.014 2.539 86 HB3 LEU 12 1HB LEU 12 9.674 1.368 3.603 87 HG LEU 12 HG LEU 12 7.350 0.547 3.483 88 HD11 LEU 12 1HD1 LEU 12 6.553 2.934 2.396 89 HD12 LEU 12 2HD1 LEU 12 7.056 2.685 4.070 90 HD13 LEU 12 3HD1 LEU 12 8.218 3.262 2.877 91 HD21 LEU 12 3HD2 LEU 12 7.648 -0.091 0.998 92 HD22 LEU 12 1HD2 LEU 12 6.087 0.534 1.533 93 HD23 LEU 12 2HD2 LEU 12 7.214 1.589 0.679 94 H ALA 13 H ALA 13 12.343 1.720 2.412 95 HA ALA 13 HA ALA 13 12.437 4.170 3.824 96 HB1 ALA 13 1HB ALA 13 14.790 3.732 4.095 97 HB2 ALA 13 2HB ALA 13 13.897 2.223 4.286 98 HB3 ALA 13 3HB ALA 13 14.758 2.554 2.782 99 H THR 14 H THR 14 13.318 3.274 0.531 100 HA THR 14 HA THR 14 14.616 5.770 -0.032 101 HB THR 14 HB THR 14 13.782 4.356 -2.404 102 HG1 THR 14 1HG THR 14 15.387 2.538 -1.445 103 HG21 THR 14 3HG2 THR 14 15.973 4.643 -2.997 104 HG22 THR 14 1HG2 THR 14 16.577 4.273 -1.381 105 HG23 THR 14 2HG2 THR 14 15.872 5.854 -1.718 106 H SER 15 H SER 15 11.378 4.613 -0.105 107 HA SER 15 HA SER 15 10.374 6.463 -2.044 108 HB2 SER 15 2HB SER 15 8.415 5.466 -0.131 109 HB3 SER 15 1HB SER 15 8.500 5.239 -1.877 110 HG SER 15 HG SER 15 8.740 3.317 -0.463 111 H ALA 16 H ALA 16 11.590 8.274 -0.914 112 HA ALA 16 HA ALA 16 10.654 9.359 1.521 113 HB1 ALA 16 1HB ALA 16 12.789 10.044 0.767 114 HB2 ALA 16 2HB ALA 16 12.154 10.567 -0.791 115 HB3 ALA 16 3HB ALA 16 11.760 11.473 0.670 116 H ALA 17 H ALA 17 9.381 9.391 -1.666 117 HA ALA 17 HA ALA 17 7.688 11.690 -1.264 118 HB1 ALA 17 1HB ALA 17 6.604 10.709 -3.408 119 HB2 ALA 17 2HB ALA 17 8.220 11.409 -3.497 120 HB3 ALA 17 3HB ALA 17 8.018 9.658 -3.429 121 H PHE 18 H PHE 18 7.540 8.266 -0.741 122 HA PHE 18 HA PHE 18 4.660 8.200 -0.542 123 HB2 PHE 18 2HB PHE 18 5.938 6.245 -1.375 124 HB3 PHE 18 1HB PHE 18 6.682 6.076 0.212 125 HD1 PHE 18 1HD PHE 18 3.212 6.491 -1.130 126 HD2 PHE 18 2HD PHE 18 5.823 4.380 1.493 127 HE1 PHE 18 1HE PHE 18 1.328 5.091 -0.385 128 HE2 PHE 18 2HE PHE 18 3.945 2.981 2.238 129 HZ PHE 18 HZ PHE 18 1.695 3.338 1.307 130 H ALA 19 H ALA 19 7.436 8.104 1.661 131 HA ALA 19 HA ALA 19 6.012 7.676 4.039 132 HB1 ALA 19 1HB ALA 19 7.965 8.174 5.174 133 HB2 ALA 19 2HB ALA 19 8.549 7.621 3.603 134 HB3 ALA 19 3HB ALA 19 8.490 9.348 3.968 135 H LYS 20 H LYS 20 6.211 10.490 2.074 136 HA LYS 20 HA LYS 20 5.683 12.456 4.049 137 HB2 LYS 20 2HB LYS 20 5.576 12.311 1.090 138 HB3 LYS 20 1HB LYS 20 4.596 13.558 1.848 139 HG2 LYS 20 2HG LYS 20 6.398 14.737 2.573 140 HG3 LYS 20 1HG LYS 20 7.414 13.299 2.724 141 HD2 LYS 20 2HD LYS 20 7.415 13.181 0.206 142 HD3 LYS 20 1HD LYS 20 6.654 14.775 0.209 143 HE2 LYS 20 2HE LYS 20 9.081 14.931 -0.086 144 HE3 LYS 20 1HE LYS 20 8.558 15.701 1.409 145 HZ1 LYS 20 3HZ LYS 20 9.328 12.901 1.609 146 HZ2 LYS 20 1HZ LYS 20 9.627 14.190 2.672 147 HZ3 LYS 20 2HZ LYS 20 10.578 13.992 1.280 148 H GLN 21 H GLN 21 3.782 10.017 2.627 149 HA GLN 21 HA GLN 21 1.203 11.139 2.820 150 HB2 GLN 21 2HB GLN 21 2.351 8.647 2.153 151 HB3 GLN 21 1HB GLN 21 1.193 8.331 3.434 152 HG2 GLN 21 2HG GLN 21 -0.562 9.386 2.134 153 HG3 GLN 21 1HG GLN 21 0.594 9.778 0.861 154 HE21 GLN 21 1HE2 GLN 21 0.069 8.543 -0.816 155 HE22 GLN 21 2HE2 GLN 21 -0.196 6.837 -0.767 156 H ALA 22 H ALA 22 3.393 9.816 5.166 157 HA ALA 22 HA ALA 22 1.492 9.235 7.203 158 HB1 ALA 22 1HB ALA 22 3.249 8.356 8.270 159 HB2 ALA 22 2HB ALA 22 4.156 8.697 6.795 160 HB3 ALA 22 3HB ALA 22 4.183 9.846 8.135 161 H GLU 23 H GLU 23 2.932 12.120 6.078 162 HA GLU 23 HA GLU 23 2.301 13.539 8.553 163 HB2 GLU 23 2HB GLU 23 3.980 14.141 6.162 164 HB3 GLU 23 1HB GLU 23 3.331 15.486 7.094 165 HG2 GLU 23 2HG GLU 23 4.757 13.264 8.475 166 HG3 GLU 23 1HG GLU 23 5.673 14.528 7.657 167 H GLY 24 H GLY 24 1.521 13.517 5.100 168 HA2 GLY 24 1HA GLY 24 -0.395 15.602 5.207 169 HA3 GLY 24 2HA GLY 24 -0.290 14.363 3.962 170 H THR 25 H THR 25 -0.549 12.181 5.864 171 HA THR 25 HA THR 25 -3.262 12.573 6.920 172 HB THR 25 HB THR 25 -2.952 9.852 6.089 173 HG1 THR 25 1HG THR 25 -1.487 10.712 4.524 174 HG21 THR 25 3HG2 THR 25 -4.877 11.952 6.035 175 HG22 THR 25 1HG2 THR 25 -5.128 10.218 5.810 176 HG23 THR 25 2HG2 THR 25 -4.775 11.246 4.423 177 H THR 26 H THR 26 -3.352 12.025 9.013 178 HA THR 26 HA THR 26 -1.029 11.047 10.325 179 HB THR 26 HB THR 26 -3.561 11.026 11.830 180 HG1 THR 26 1HG THR 26 -2.554 13.384 10.552 181 HG21 THR 26 3HG2 THR 26 -1.997 12.743 13.123 182 HG22 THR 26 1HG2 THR 26 -0.749 11.944 12.164 183 HG23 THR 26 2HG2 THR 26 -1.765 10.999 13.252 184 H CYS 27 H CYS 27 -0.530 8.982 9.779 185 HA CYS 27 HA CYS 27 -2.332 6.909 10.780 186 HB2 CYS 27 2HB CYS 27 -0.981 6.826 8.068 187 HB3 CYS 27 1HB CYS 27 -1.861 5.491 8.801 188 H ASN 28 H ASN 28 -0.909 4.694 10.421 189 HA ASN 28 HA ASN 28 1.710 5.277 11.642 190 HB2 ASN 28 2HB ASN 28 -0.179 4.387 13.183 191 HB3 ASN 28 1HB ASN 28 0.067 2.854 12.356 192 HD21 ASN 28 1HD2 ASN 28 0.484 2.391 14.734 193 HD22 ASN 28 2HD2 ASN 28 2.132 2.482 15.242 194 H VAL 29 H VAL 29 3.032 3.069 11.635 195 HA VAL 29 HA VAL 29 3.770 2.563 9.021 196 HB VAL 29 HB VAL 29 4.806 0.411 9.986 197 HG11 VAL 29 1HG1 VAL 29 6.078 2.311 11.634 198 HG12 VAL 29 2HG1 VAL 29 6.549 1.779 10.020 199 HG13 VAL 29 3HG1 VAL 29 5.485 3.172 10.214 200 HG21 VAL 29 3HG2 VAL 29 4.170 1.677 12.629 201 HG22 VAL 29 1HG2 VAL 29 3.115 0.451 11.922 202 HG23 VAL 29 2HG2 VAL 29 4.796 0.063 12.296 203 H GLY 30 H GLY 30 1.809 0.402 11.107 204 HA2 GLY 30 1HA GLY 30 1.130 -1.213 8.782 205 HA3 GLY 30 2HA GLY 30 0.686 -1.538 10.452 206 H SER 31 H SER 31 0.147 1.648 9.314 207 HA SER 31 HA SER 31 -2.688 1.033 8.824 208 HB2 SER 31 2HB SER 31 -1.898 3.707 9.904 209 HB3 SER 31 1HB SER 31 -3.401 2.807 10.122 210 HG SER 31 HG SER 31 -1.482 1.353 11.184 211 H ILE 32 H ILE 32 0.176 2.388 7.642 212 HA ILE 32 HA ILE 32 -1.124 4.139 5.752 213 HB ILE 32 HB ILE 32 1.575 3.737 6.654 214 HG12 ILE 32 2HG1 ILE 32 1.528 5.917 4.955 215 HG13 ILE 32 1HG1 ILE 32 -0.142 5.782 5.486 216 HG21 ILE 32 1HG2 ILE 32 1.678 2.454 4.438 217 HG22 ILE 32 2HG2 ILE 32 1.469 4.027 3.666 218 HG23 ILE 32 3HG2 ILE 32 2.864 3.730 4.704 219 HD11 ILE 32 3HD1 ILE 32 0.683 7.117 7.110 220 HD12 ILE 32 1HD1 ILE 32 1.013 5.542 7.836 221 HD13 ILE 32 2HD1 ILE 32 2.301 6.425 7.015 222 H ALA 33 H ALA 33 -1.823 3.586 3.783 223 HA ALA 33 HA ALA 33 -1.014 1.052 2.615 224 HB1 ALA 33 1HB ALA 33 -3.053 0.859 4.298 225 HB2 ALA 33 2HB ALA 33 -3.951 1.392 2.877 226 HB3 ALA 33 3HB ALA 33 -2.981 -0.080 2.807 227 H CYS 34 H CYS 34 -1.637 0.788 0.457 228 HA CYS 34 HA CYS 34 -2.713 3.201 -0.838 229 HB2 CYS 34 2HB CYS 34 -0.224 2.733 -1.206 230 HB3 CYS 34 1HB CYS 34 -0.737 1.310 -2.106 231 H CYS 35 H CYS 35 -4.189 2.875 -2.493 232 HA CYS 35 HA CYS 35 -5.023 0.089 -2.926 233 HB2 CYS 35 2HB CYS 35 -7.193 2.046 -3.080 234 HB3 CYS 35 1HB CYS 35 -7.157 0.467 -2.306 235 H ASN 36 H ASN 36 -6.336 -0.207 -4.831 236 HA ASN 36 HA ASN 36 -5.997 1.842 -6.901 237 HB2 ASN 36 2HB ASN 36 -4.274 -0.132 -6.990 238 HB3 ASN 36 1HB ASN 36 -5.641 -1.056 -7.605 239 HD21 ASN 36 1HD2 ASN 36 -3.776 -1.020 -9.328 240 HD22 ASN 36 2HD2 ASN 36 -4.012 0.149 -10.588 241 H SER 37 H SER 37 -7.497 1.526 -8.718 242 HA SER 37 HA SER 37 -10.122 1.222 -8.043 243 HB2 SER 37 2HB SER 37 -9.237 0.331 -10.765 244 HB3 SER 37 1HB SER 37 -10.571 1.394 -10.311 245 HG SER 37 HG SER 37 -8.887 2.605 -11.220 246 HA PRO 38 HA PRO 38 -10.879 -2.926 -6.864 247 HB2 PRO 38 2HB PRO 38 -13.340 -2.627 -8.531 248 HB3 PRO 38 1HB PRO 38 -13.171 -3.201 -6.867 249 HG2 PRO 38 2HG PRO 38 -14.060 -0.745 -7.359 250 HG3 PRO 38 1HG PRO 38 -12.948 -1.051 -6.010 251 HD2 PRO 38 2HD PRO 38 -12.425 0.218 -8.655 252 HD3 PRO 38 1HD PRO 38 -11.690 0.550 -7.072 253 H ALA 39 H ALA 39 -11.427 -2.124 -10.275 254 HA ALA 39 HA ALA 39 -11.432 -4.827 -11.170 255 HB1 ALA 39 1HB ALA 39 -11.532 -2.156 -12.422 256 HB2 ALA 39 2HB ALA 39 -10.922 -3.469 -13.428 257 HB3 ALA 39 3HB ALA 39 -12.528 -3.583 -12.709 258 H GLU 40 H GLU 40 -8.925 -2.890 -10.102 259 HA GLU 40 HA GLU 40 -6.938 -4.347 -11.717 260 HB2 GLU 40 2HB GLU 40 -6.936 -1.652 -10.429 261 HB3 GLU 40 1HB GLU 40 -5.408 -2.510 -10.562 262 HG2 GLU 40 2HG GLU 40 -6.763 -2.637 -13.068 263 HG3 GLU 40 1HG GLU 40 -6.712 -0.961 -12.517 264 H THR 41 H THR 41 -7.764 -3.311 -8.444 265 HA THR 41 HA THR 41 -5.800 -4.801 -7.084 266 HB THR 41 HB THR 41 -8.554 -4.032 -6.092 267 HG1 THR 41 1HG THR 41 -7.827 -2.045 -6.159 268 HG21 THR 41 3HG2 THR 41 -7.319 -3.921 -3.892 269 HG22 THR 41 1HG2 THR 41 -5.985 -4.748 -4.695 270 HG23 THR 41 2HG2 THR 41 -7.556 -5.538 -4.553 271 H ASN 42 H ASN 42 -9.024 -5.588 -8.236 272 HA ASN 42 HA ASN 42 -8.809 -8.302 -7.143 273 HB2 ASN 42 2HB ASN 42 -11.037 -6.513 -7.858 274 HB3 ASN 42 1HB ASN 42 -11.265 -8.197 -8.312 275 HD21 ASN 42 1HD2 ASN 42 -9.881 -6.463 -5.544 276 HD22 ASN 42 2HD2 ASN 42 -10.742 -7.353 -4.338 277 H ASN 43 H ASN 43 -7.486 -7.064 -9.589 278 HA ASN 43 HA ASN 43 -8.656 -8.164 -11.923 279 HB2 ASN 43 2HB ASN 43 -6.927 -6.284 -11.770 280 HB3 ASN 43 1HB ASN 43 -5.722 -7.554 -11.586 281 HD21 ASN 43 1HD2 ASN 43 -8.048 -6.104 -13.726 282 HD22 ASN 43 2HD2 ASN 43 -7.431 -6.797 -15.186 283 H ASP 44 H ASP 44 -6.366 -9.347 -9.577 284 HA ASP 44 HA ASP 44 -6.116 -11.866 -11.063 285 HB2 ASP 44 2HB ASP 44 -3.985 -10.878 -10.461 286 HB3 ASP 44 1HB ASP 44 -4.486 -10.730 -8.781 287 H SER 45 H SER 45 -6.580 -13.827 -10.083 288 HA SER 45 HA SER 45 -8.740 -13.801 -8.245 289 HB2 SER 45 2HB SER 45 -7.449 -16.388 -8.547 290 HB3 SER 45 1HB SER 45 -9.056 -15.873 -9.064 291 HG SER 45 HG SER 45 -8.322 -15.519 -11.020 292 H LEU 46 H LEU 46 -5.286 -14.459 -7.967 293 HA LEU 46 HA LEU 46 -5.555 -15.341 -5.216 294 HB2 LEU 46 2HB LEU 46 -3.881 -16.200 -7.011 295 HB3 LEU 46 1HB LEU 46 -2.945 -14.781 -6.572 296 HG LEU 46 HG LEU 46 -2.965 -15.582 -4.202 297 HD11 LEU 46 1HD1 LEU 46 -4.172 -18.035 -5.467 298 HD12 LEU 46 2HD1 LEU 46 -3.459 -17.993 -3.855 299 HD13 LEU 46 3HD1 LEU 46 -4.884 -17.018 -4.215 300 HD21 LEU 46 3HD2 LEU 46 -1.220 -17.200 -4.524 301 HD22 LEU 46 1HD2 LEU 46 -1.759 -17.511 -6.175 302 HD23 LEU 46 2HD2 LEU 46 -1.072 -15.943 -5.751 303 H LEU 47 H LEU 47 -4.923 -12.439 -6.933 304 HA LEU 47 HA LEU 47 -3.413 -10.926 -5.189 305 HB2 LEU 47 2HB LEU 47 -4.800 -10.451 -7.506 306 HB3 LEU 47 1HB LEU 47 -5.683 -9.470 -6.354 307 HG LEU 47 HG LEU 47 -3.886 -8.250 -7.583 308 HD11 LEU 47 1HD1 LEU 47 -2.855 -7.261 -5.494 309 HD12 LEU 47 2HD1 LEU 47 -4.616 -7.263 -5.580 310 HD13 LEU 47 3HD1 LEU 47 -3.781 -8.459 -4.589 311 HD21 LEU 47 3HD2 LEU 47 -2.253 -10.063 -7.705 312 HD22 LEU 47 1HD2 LEU 47 -1.561 -8.628 -6.947 313 HD23 LEU 47 2HD2 LEU 47 -2.050 -10.004 -5.954 314 H SER 48 H SER 48 -6.913 -11.382 -5.202 315 HA SER 48 HA SER 48 -7.443 -9.673 -3.017 316 HB2 SER 48 2HB SER 48 -8.934 -11.106 -4.894 317 HB3 SER 48 1HB SER 48 -9.410 -11.786 -3.334 318 HG SER 48 HG SER 48 -10.600 -9.874 -4.108 319 H GLY 49 H GLY 49 -6.191 -12.870 -3.168 320 HA2 GLY 49 1HA GLY 49 -6.852 -13.424 -0.366 321 HA3 GLY 49 2HA GLY 49 -6.066 -14.531 -1.483 322 H LEU 50 H LEU 50 -4.172 -12.490 -2.396 323 HA LEU 50 HA LEU 50 -2.166 -12.807 -0.385 324 HB2 LEU 50 2HB LEU 50 -2.268 -11.333 -3.005 325 HB3 LEU 50 1HB LEU 50 -0.868 -11.252 -1.953 326 HG LEU 50 HG LEU 50 -1.944 -13.896 -2.882 327 HD11 LEU 50 1HD1 LEU 50 -0.727 -11.841 -4.502 328 HD12 LEU 50 2HD1 LEU 50 0.266 -13.297 -4.456 329 HD13 LEU 50 3HD1 LEU 50 -1.414 -13.394 -4.979 330 HD21 LEU 50 3HD2 LEU 50 0.463 -14.510 -2.571 331 HD22 LEU 50 1HD2 LEU 50 0.721 -12.905 -1.882 332 HD23 LEU 50 2HD2 LEU 50 -0.374 -14.038 -1.091 333 H LEU 51 H LEU 51 -4.444 -10.346 -1.260 334 HA LEU 51 HA LEU 51 -3.454 -8.126 0.077 335 HB2 LEU 51 2HB LEU 51 -5.948 -8.988 -0.999 336 HB3 LEU 51 1HB LEU 51 -6.249 -8.360 0.608 337 HG LEU 51 HG LEU 51 -6.543 -6.469 -0.645 338 HD11 LEU 51 1HD1 LEU 51 -4.563 -6.302 1.005 339 HD12 LEU 51 2HD1 LEU 51 -3.569 -6.197 -0.448 340 HD13 LEU 51 3HD1 LEU 51 -4.828 -4.998 -0.151 341 HD21 LEU 51 3HD2 LEU 51 -4.388 -6.317 -2.478 342 HD22 LEU 51 1HD2 LEU 51 -5.096 -7.926 -2.611 343 HD23 LEU 51 2HD2 LEU 51 -6.108 -6.497 -2.814 344 H GLY 52 H GLY 52 -5.514 -10.734 1.336 345 HA2 GLY 52 1HA GLY 52 -5.089 -9.821 4.058 346 HA3 GLY 52 2HA GLY 52 -6.103 -11.167 3.552 347 H ALA 53 H ALA 53 -2.711 -10.161 3.857 348 HA ALA 53 HA ALA 53 -1.969 -12.992 4.127 349 HB1 ALA 53 1HB ALA 53 -0.224 -12.408 2.878 350 HB2 ALA 53 2HB ALA 53 -0.674 -10.704 2.961 351 HB3 ALA 53 3HB ALA 53 0.352 -11.409 4.214 352 H GLY 54 H GLY 54 -3.416 -11.667 6.125 353 HA2 GLY 54 1HA GLY 54 -2.317 -12.249 8.518 354 HA3 GLY 54 2HA GLY 54 -1.662 -10.651 8.172 355 H LEU 55 H LEU 55 -2.824 -8.969 8.821 356 HA LEU 55 HA LEU 55 -5.722 -9.362 9.167 357 HB2 LEU 55 2HB LEU 55 -3.788 -8.501 11.048 358 HB3 LEU 55 1HB LEU 55 -4.789 -7.113 10.664 359 HG LEU 55 HG LEU 55 -5.768 -8.165 12.553 360 HD11 LEU 55 1HD1 LEU 55 -7.967 -8.919 11.686 361 HD12 LEU 55 2HD1 LEU 55 -7.414 -7.408 10.966 362 HD13 LEU 55 3HD1 LEU 55 -7.292 -8.914 10.056 363 HD21 LEU 55 3HD2 LEU 55 -6.550 -10.717 11.739 364 HD22 LEU 55 1HD2 LEU 55 -4.857 -10.575 11.265 365 HD23 LEU 55 2HD2 LEU 55 -5.329 -10.306 12.942 366 H LEU 56 H LEU 56 -5.698 -8.793 6.856 367 HA LEU 56 HA LEU 56 -5.765 -5.868 6.538 368 HB2 LEU 56 2HB LEU 56 -4.609 -7.969 4.803 369 HB3 LEU 56 1HB LEU 56 -5.478 -6.681 3.993 370 HG LEU 56 HG LEU 56 -3.915 -5.188 5.574 371 HD11 LEU 56 1HD1 LEU 56 -1.874 -7.179 4.848 372 HD12 LEU 56 2HD1 LEU 56 -1.993 -6.137 6.267 373 HD13 LEU 56 3HD1 LEU 56 -2.926 -7.632 6.189 374 HD21 LEU 56 3HD2 LEU 56 -2.729 -4.652 3.659 375 HD22 LEU 56 1HD2 LEU 56 -2.705 -6.316 3.082 376 HD23 LEU 56 2HD2 LEU 56 -4.193 -5.376 2.994 377 H ASN 57 H ASN 57 -7.621 -5.021 5.777 378 HA ASN 57 HA ASN 57 -9.613 -6.867 4.683 379 HB2 ASN 57 2HB ASN 57 -9.786 -5.424 7.139 380 HB3 ASN 57 1HB ASN 57 -10.975 -4.763 6.017 381 HD21 ASN 57 1HD2 ASN 57 -12.668 -5.601 7.223 382 HD22 ASN 57 2HD2 ASN 57 -13.048 -7.295 7.209 383 H GLY 58 H GLY 58 -11.575 -5.187 3.980 384 HA2 GLY 58 1HA GLY 58 -10.221 -3.844 1.751 385 HA3 GLY 58 2HA GLY 58 -11.902 -4.355 1.781 386 H LEU 59 H LEU 59 -12.270 -2.208 0.897 387 HA LEU 59 HA LEU 59 -11.758 0.153 2.357 388 HB2 LEU 59 2HB LEU 59 -13.041 -0.583 -0.094 389 HB3 LEU 59 1HB LEU 59 -14.104 0.493 0.791 390 HG LEU 59 HG LEU 59 -12.601 1.638 -0.840 391 HD11 LEU 59 1HD1 LEU 59 -13.396 3.139 0.691 392 HD12 LEU 59 2HD1 LEU 59 -12.684 2.288 2.063 393 HD13 LEU 59 3HD1 LEU 59 -11.662 3.261 1.005 394 HD21 LEU 59 3HD2 LEU 59 -10.637 0.249 -0.588 395 HD22 LEU 59 1HD2 LEU 59 -10.237 1.924 -0.206 396 HD23 LEU 59 2HD2 LEU 59 -10.464 0.750 1.092 397 H SER 60 H SER 60 -13.351 1.548 3.378 398 HA SER 60 HA SER 60 -14.685 0.250 5.450 399 HB2 SER 60 2HB SER 60 -15.776 2.773 5.414 400 HB3 SER 60 1HB SER 60 -14.268 2.323 6.195 401 HG SER 60 HG SER 60 -14.453 4.126 4.456 402 H GLY 61 H GLY 61 -16.079 -1.269 4.577 403 HA2 GLY 61 1HA GLY 61 -18.338 -1.853 4.460 404 HA3 GLY 61 2HA GLY 61 -18.735 -0.180 4.105 405 H ASN 62 H ASN 62 -16.207 -1.143 2.125 406 HA ASN 62 HA ASN 62 -18.130 -1.701 -0.042 407 HB2 ASN 62 2HB ASN 62 -16.854 0.563 0.001 408 HB3 ASN 62 1HB ASN 62 -15.472 -0.393 -0.525 409 HD21 ASN 62 1HD2 ASN 62 -15.189 -0.113 -2.617 410 HD22 ASN 62 2HD2 ASN 62 -16.439 -0.085 -3.814 411 H THR 63 H THR 63 -17.791 -3.416 -1.310 412 HA THR 63 HA THR 63 -15.421 -5.061 -0.781 413 HB THR 63 HB THR 63 -17.383 -6.303 -2.511 414 HG1 THR 63 1HG THR 63 -18.287 -5.119 -0.084 415 HG21 THR 63 3HG2 THR 63 -15.886 -7.673 -1.299 416 HG22 THR 63 1HG2 THR 63 -17.454 -7.907 -0.526 417 HG23 THR 63 2HG2 THR 63 -16.253 -6.860 0.224 418 H GLY 64 H GLY 64 -13.854 -5.194 -2.264 419 HA2 GLY 64 1HA GLY 64 -13.461 -5.653 -4.704 420 HA3 GLY 64 2HA GLY 64 -14.441 -4.219 -4.989 421 H SER 65 H SER 65 -13.538 -2.425 -3.229 422 HA SER 65 HA SER 65 -10.879 -1.825 -4.171 423 HB2 SER 65 2HB SER 65 -11.820 -0.060 -2.090 424 HB3 SER 65 1HB SER 65 -11.544 0.289 -3.794 425 HG SER 65 HG SER 65 -13.626 0.345 -4.013 426 H ALA 66 H ALA 66 -9.146 -2.658 -3.201 427 HA ALA 66 HA ALA 66 -9.173 -2.914 -0.272 428 HB1 ALA 66 1HB ALA 66 -9.215 -5.080 -1.873 429 HB2 ALA 66 2HB ALA 66 -7.474 -4.818 -1.759 430 HB3 ALA 66 3HB ALA 66 -8.430 -5.051 -0.295 431 H CYS 67 H CYS 67 -7.234 -2.453 0.770 432 HA CYS 67 HA CYS 67 -5.149 -1.222 -0.912 433 HB2 CYS 67 2HB CYS 67 -5.691 -0.381 1.924 434 HB3 CYS 67 1HB CYS 67 -4.837 0.494 0.661 435 H ALA 68 H ALA 68 -3.084 -1.857 -0.579 436 HA ALA 68 HA ALA 68 -2.621 -3.731 1.638 437 HB1 ALA 68 1HB ALA 68 -1.978 -3.957 -1.071 438 HB2 ALA 68 2HB ALA 68 -0.449 -3.639 -0.253 439 HB3 ALA 68 3HB ALA 68 -1.445 -5.006 0.245 440 H LYS 69 H LYS 69 -0.658 -3.555 2.836 441 HA LYS 69 HA LYS 69 0.270 -0.765 2.993 442 HB2 LYS 69 2HB LYS 69 0.939 -1.916 5.407 443 HB3 LYS 69 1HB LYS 69 -0.471 -0.909 5.110 444 HG2 LYS 69 2HG LYS 69 -0.737 -3.790 4.513 445 HG3 LYS 69 1HG LYS 69 -0.620 -3.321 6.212 446 HD2 LYS 69 2HD LYS 69 -2.424 -1.597 4.748 447 HD3 LYS 69 1HD LYS 69 -2.901 -3.292 4.627 448 HE2 LYS 69 2HE LYS 69 -2.224 -1.957 7.231 449 HE3 LYS 69 1HE LYS 69 -3.860 -2.006 6.577 450 HZ1 LYS 69 3HZ LYS 69 -2.179 -4.231 7.534 451 HZ2 LYS 69 1HZ LYS 69 -3.475 -4.513 6.480 452 HZ3 LYS 69 2HZ LYS 69 -3.764 -3.813 7.986 453 H ALA 70 H ALA 70 2.448 -0.861 4.438 454 HA ALA 70 HA ALA 70 4.424 -1.821 2.687 455 HB1 ALA 70 1HB ALA 70 5.990 -0.946 4.179 456 HB2 ALA 70 2HB ALA 70 4.565 0.066 4.412 457 HB3 ALA 70 3HB ALA 70 4.947 -1.205 5.576 458 H SER 71 H SER 71 2.774 -3.311 5.330 459 HA SER 71 HA SER 71 4.633 -5.343 5.944 460 HB2 SER 71 2HB SER 71 2.023 -6.316 6.410 461 HB3 SER 71 1HB SER 71 3.108 -5.572 7.586 462 HG SER 71 HG SER 71 0.925 -4.585 7.214 463 H LEU 72 H LEU 72 2.190 -4.935 3.497 464 HA LEU 72 HA LEU 72 2.427 -7.696 2.609 465 HB2 LEU 72 2HB LEU 72 0.440 -5.710 2.471 466 HB3 LEU 72 1HB LEU 72 0.947 -6.005 0.816 467 HG LEU 72 HG LEU 72 -0.819 -7.501 1.120 468 HD11 LEU 72 1HD1 LEU 72 0.354 -9.777 1.461 469 HD12 LEU 72 2HD1 LEU 72 0.845 -8.767 0.100 470 HD13 LEU 72 3HD1 LEU 72 1.831 -8.818 1.562 471 HD21 LEU 72 3HD2 LEU 72 0.362 -8.091 3.828 472 HD22 LEU 72 1HD2 LEU 72 -1.161 -7.269 3.485 473 HD23 LEU 72 2HD2 LEU 72 -0.981 -8.984 3.117 474 H ILE 73 H ILE 73 3.381 -4.477 1.688 475 HA ILE 73 HA ILE 73 4.285 -5.078 -0.919 476 HB ILE 73 HB ILE 73 4.822 -2.821 0.990 477 HG12 ILE 73 2HG1 ILE 73 3.841 -2.435 -1.782 478 HG13 ILE 73 1HG1 ILE 73 2.766 -3.301 -0.690 479 HG21 ILE 73 1HG2 ILE 73 6.398 -1.802 -0.337 480 HG22 ILE 73 2HG2 ILE 73 6.863 -3.493 -0.514 481 HG23 ILE 73 3HG2 ILE 73 5.923 -2.700 -1.777 482 HD11 ILE 73 3HD1 ILE 73 3.917 -0.850 0.419 483 HD12 ILE 73 1HD1 ILE 73 2.852 -0.614 -0.967 484 HD13 ILE 73 2HD1 ILE 73 2.261 -1.456 0.467 485 H ASP 74 H ASP 74 5.898 -5.109 2.241 486 HA ASP 74 HA ASP 74 8.411 -5.927 1.057 487 HB2 ASP 74 2HB ASP 74 7.758 -4.667 3.421 488 HB3 ASP 74 1HB ASP 74 8.146 -6.301 3.947 489 H GLN 75 H GLN 75 5.572 -7.491 1.661 490 HA GLN 75 HA GLN 75 6.815 -10.013 2.456 491 HB2 GLN 75 2HB GLN 75 4.315 -8.883 2.968 492 HB3 GLN 75 1HB GLN 75 3.991 -10.187 1.830 493 HG2 GLN 75 2HG GLN 75 3.841 -11.353 3.770 494 HG3 GLN 75 1HG GLN 75 5.572 -11.526 3.479 495 HE21 GLN 75 1HE2 GLN 75 6.483 -9.052 4.207 496 HE22 GLN 75 2HE2 GLN 75 6.203 -8.779 5.889 497 H LEU 76 H LEU 76 4.742 -8.748 -0.143 498 HA LEU 76 HA LEU 76 5.761 -10.917 -1.851 499 HB2 LEU 76 2HB LEU 76 2.977 -10.126 -1.250 500 HB3 LEU 76 1HB LEU 76 3.330 -10.499 -2.925 501 HG LEU 76 HG LEU 76 2.621 -12.541 -2.144 502 HD11 LEU 76 1HD1 LEU 76 4.366 -13.872 -2.552 503 HD12 LEU 76 2HD1 LEU 76 5.247 -12.367 -2.806 504 HD13 LEU 76 3HD1 LEU 76 5.331 -13.186 -1.245 505 HD21 LEU 76 3HD2 LEU 76 4.016 -11.904 0.451 506 HD22 LEU 76 1HD2 LEU 76 2.279 -12.021 0.153 507 HD23 LEU 76 2HD2 LEU 76 3.284 -13.467 0.080 508 H GLY 77 H GLY 77 4.803 -7.568 -1.596 509 HA2 GLY 77 1HA GLY 77 5.501 -5.815 -2.957 510 HA3 GLY 77 2HA GLY 77 6.196 -6.986 -4.069 511 H LEU 78 H LEU 78 2.920 -6.435 -2.828 512 HA LEU 78 HA LEU 78 1.594 -7.260 -5.134 513 HB2 LEU 78 2HB LEU 78 0.735 -5.471 -2.868 514 HB3 LEU 78 1HB LEU 78 -0.364 -5.990 -4.128 515 HG LEU 78 HG LEU 78 0.711 -7.473 -1.814 516 HD11 LEU 78 1HD1 LEU 78 -1.746 -8.237 -3.274 517 HD12 LEU 78 2HD1 LEU 78 -1.441 -8.107 -1.542 518 HD13 LEU 78 3HD1 LEU 78 -1.720 -6.653 -2.496 519 HD21 LEU 78 3HD2 LEU 78 -0.049 -9.531 -3.491 520 HD22 LEU 78 1HD2 LEU 78 0.983 -8.518 -4.503 521 HD23 LEU 78 2HD2 LEU 78 1.591 -9.147 -2.972 522 H LEU 79 H LEU 79 2.232 -6.321 -7.029 523 HA LEU 79 HA LEU 79 2.571 -3.477 -7.288 524 HB2 LEU 79 2HB LEU 79 2.425 -4.648 -9.843 525 HB3 LEU 79 1HB LEU 79 3.857 -4.133 -8.975 526 HG LEU 79 HG LEU 79 3.374 -6.591 -7.859 527 HD11 LEU 79 1HD1 LEU 79 2.069 -7.814 -9.177 528 HD12 LEU 79 2HD1 LEU 79 1.958 -6.509 -10.358 529 HD13 LEU 79 3HD1 LEU 79 3.285 -7.668 -10.445 530 HD21 LEU 79 3HD2 LEU 79 5.251 -5.391 -9.720 531 HD22 LEU 79 1HD2 LEU 79 5.539 -6.496 -8.375 532 HD23 LEU 79 2HD2 LEU 79 5.082 -7.128 -9.957 533 H ALA 80 H ALA 80 -0.154 -5.127 -6.949 534 HA ALA 80 HA ALA 80 -1.726 -4.297 -9.162 535 HB1 ALA 80 1HB ALA 80 -2.972 -4.803 -6.504 536 HB2 ALA 80 2HB ALA 80 -3.508 -5.286 -8.110 537 HB3 ALA 80 3HB ALA 80 -2.169 -6.134 -7.338 538 H LEU 81 H LEU 81 -0.709 -2.742 -6.236 539 HA LEU 81 HA LEU 81 -2.432 -0.449 -6.887 540 HB2 LEU 81 2HB LEU 81 -2.094 -0.236 -4.185 541 HB3 LEU 81 1HB LEU 81 -3.529 -0.837 -4.995 542 HG LEU 81 HG LEU 81 -1.769 -3.026 -4.774 543 HD11 LEU 81 1HD1 LEU 81 -1.422 -1.129 -2.621 544 HD12 LEU 81 2HD1 LEU 81 -2.039 -2.676 -2.033 545 HD13 LEU 81 3HD1 LEU 81 -0.542 -2.619 -2.966 546 HD21 LEU 81 3HD2 LEU 81 -3.617 -4.034 -3.896 547 HD22 LEU 81 1HD2 LEU 81 -4.036 -2.641 -2.896 548 HD23 LEU 81 2HD2 LEU 81 -4.370 -2.614 -4.629 549 H VAL 82 H VAL 82 0.647 -1.426 -6.825 550 HA VAL 82 HA VAL 82 1.649 1.053 -5.602 551 HB VAL 82 HB VAL 82 3.184 -1.527 -5.987 552 HG11 VAL 82 1HG1 VAL 82 4.810 0.128 -5.902 553 HG12 VAL 82 2HG1 VAL 82 3.869 1.141 -4.809 554 HG13 VAL 82 3HG1 VAL 82 4.651 -0.318 -4.202 555 HG21 VAL 82 3HG2 VAL 82 2.622 -0.651 -3.256 556 HG22 VAL 82 1HG2 VAL 82 1.181 -1.104 -4.163 557 HG23 VAL 82 2HG2 VAL 82 2.505 -2.256 -3.980 558 H ASP 83 H ASP 83 2.912 2.381 -6.728 559 HA ASP 83 HA ASP 83 3.748 1.536 -9.416 560 HB2 ASP 83 2HB ASP 83 1.809 3.303 -9.159 561 HB3 ASP 83 1HB ASP 83 3.139 4.417 -8.855 562 H HIS 84 H HIS 84 5.473 3.422 -10.173 563 HA HIS 84 HA HIS 84 7.378 3.643 -7.946 564 HB2 HIS 84 2HB HIS 84 7.744 1.492 -9.193 565 HB3 HIS 84 1HB HIS 84 8.146 2.452 -10.613 566 HD1 HIS 84 1HD HIS 84 9.352 1.960 -7.046 567 HD2 HIS 84 2HD HIS 84 10.768 3.181 -10.755 568 HE1 HIS 84 1HE HIS 84 11.809 2.366 -6.727 569 HE2 HIS 84 2HE HIS 84 12.607 3.267 -8.937 570 H THR 85 H THR 85 8.633 5.403 -7.967 571 HA THR 85 HA THR 85 8.977 6.870 -10.489 572 HB THR 85 HB THR 85 8.974 8.950 -8.785 573 HG1 THR 85 1HG THR 85 7.370 6.943 -7.633 574 HG21 THR 85 3HG2 THR 85 7.097 9.648 -9.880 575 HG22 THR 85 1HG2 THR 85 6.273 8.101 -9.680 576 HG23 THR 85 2HG2 THR 85 7.522 8.281 -10.911 577 H GLU 86 H GLU 86 10.605 8.879 -9.622 578 HA GLU 86 HA GLU 86 13.093 7.628 -9.251 579 HB2 GLU 86 2HB GLU 86 12.087 10.408 -9.298 580 HB3 GLU 86 1HB GLU 86 13.585 10.166 -8.408 581 HG2 GLU 86 2HG GLU 86 13.709 10.783 -10.898 582 HG3 GLU 86 1HG GLU 86 14.744 9.488 -10.300 583 H GLU 87 H GLU 87 10.907 9.256 -7.035 584 HA GLU 87 HA GLU 87 12.608 8.853 -4.745 585 HB2 GLU 87 2HB GLU 87 9.711 9.694 -4.721 586 HB3 GLU 87 1HB GLU 87 10.947 10.032 -3.517 587 HG2 GLU 87 2HG GLU 87 10.994 12.037 -4.526 588 HG3 GLU 87 1HG GLU 87 12.071 11.206 -5.647 589 H GLY 88 H GLY 88 12.019 6.419 -5.995 590 HA2 GLY 88 1HA GLY 88 11.853 4.301 -5.075 591 HA3 GLY 88 2HA GLY 88 11.168 5.015 -3.626 592 HA PRO 89 HA PRO 89 7.698 2.834 -5.850 593 HB2 PRO 89 2HB PRO 89 7.313 1.528 -3.259 594 HB3 PRO 89 1HB PRO 89 7.528 0.798 -4.851 595 HG2 PRO 89 2HG PRO 89 9.414 0.650 -2.917 596 HG3 PRO 89 1HG PRO 89 9.812 0.688 -4.645 597 HD2 PRO 89 2HD PRO 89 9.926 2.892 -2.622 598 HD3 PRO 89 1HD PRO 89 11.061 2.499 -3.933 599 H VAL 90 H VAL 90 5.699 3.691 -5.733 600 HA VAL 90 HA VAL 90 4.957 5.174 -3.309 601 HB VAL 90 HB VAL 90 3.958 6.895 -5.008 602 HG11 VAL 90 1HG1 VAL 90 6.819 7.379 -4.970 603 HG12 VAL 90 2HG1 VAL 90 5.514 8.258 -4.176 604 HG13 VAL 90 3HG1 VAL 90 6.209 6.828 -3.410 605 HG21 VAL 90 3HG2 VAL 90 6.352 6.127 -6.631 606 HG22 VAL 90 1HG2 VAL 90 4.800 5.342 -6.920 607 HG23 VAL 90 2HG2 VAL 90 4.948 7.092 -7.094 608 H CYS 91 H CYS 91 2.648 6.300 -4.716 609 HA CYS 91 HA CYS 91 0.944 3.946 -4.474 610 HB2 CYS 91 2HB CYS 91 0.705 6.752 -3.826 611 HB3 CYS 91 1HB CYS 91 -0.647 6.227 -4.824 612 H LYS 92 H LYS 92 -0.689 3.494 -6.035 613 HA LYS 92 HA LYS 92 0.160 4.200 -8.731 614 HB2 LYS 92 2HB LYS 92 -0.378 1.820 -7.935 615 HB3 LYS 92 1HB LYS 92 -2.066 2.309 -8.022 616 HG2 LYS 92 2HG LYS 92 -2.107 1.943 -10.198 617 HG3 LYS 92 1HG LYS 92 -0.731 3.020 -10.450 618 HD2 LYS 92 2HD LYS 92 0.765 1.135 -9.781 619 HD3 LYS 92 1HD LYS 92 -0.654 0.089 -9.767 620 HE2 LYS 92 2HE LYS 92 -0.529 -0.185 -11.969 621 HE3 LYS 92 1HE LYS 92 -0.565 1.560 -12.223 622 HZ1 LYS 92 3HZ LYS 92 1.835 1.611 -11.850 623 HZ2 LYS 92 1HZ LYS 92 1.430 0.610 -13.160 624 HZ3 LYS 92 2HZ LYS 92 1.849 -0.082 -11.672 625 H ASN 93 H ASN 93 -2.517 4.701 -6.549 626 HA ASN 93 HA ASN 93 -3.754 6.593 -8.331 627 HB2 ASN 93 2HB ASN 93 -4.768 3.821 -8.130 628 HB3 ASN 93 1HB ASN 93 -5.984 5.085 -7.997 629 HD21 ASN 93 1HD2 ASN 93 -4.936 3.020 -10.100 630 HD22 ASN 93 2HD2 ASN 93 -4.939 3.944 -11.564 631 H ILE 94 H ILE 94 -4.692 4.461 -5.607 632 HA ILE 94 HA ILE 94 -5.993 6.817 -4.411 633 HB ILE 94 HB ILE 94 -6.704 3.906 -4.025 634 HG12 ILE 94 2HG1 ILE 94 -8.369 5.953 -5.473 635 HG13 ILE 94 1HG1 ILE 94 -7.147 5.008 -6.317 636 HG21 ILE 94 1HG2 ILE 94 -8.544 6.117 -3.303 637 HG22 ILE 94 2HG2 ILE 94 -8.344 4.523 -2.575 638 HG23 ILE 94 3HG2 ILE 94 -7.176 5.800 -2.234 639 HD11 ILE 94 3HD1 ILE 94 -8.619 3.133 -4.893 640 HD12 ILE 94 1HD1 ILE 94 -9.812 4.271 -5.517 641 HD13 ILE 94 2HD1 ILE 94 -8.702 3.461 -6.622 642 H VAL 95 H VAL 95 -5.415 7.461 -2.445 643 HA VAL 95 HA VAL 95 -3.608 5.752 -0.881 644 HB VAL 95 HB VAL 95 -2.378 7.655 -0.902 645 HG11 VAL 95 1HG1 VAL 95 -2.989 9.523 -1.972 646 HG12 VAL 95 2HG1 VAL 95 -4.477 8.649 -2.340 647 HG13 VAL 95 3HG1 VAL 95 -4.419 9.749 -0.962 648 HG21 VAL 95 3HG2 VAL 95 -2.980 9.301 0.906 649 HG22 VAL 95 1HG2 VAL 95 -4.457 8.369 1.153 650 HG23 VAL 95 2HG2 VAL 95 -2.885 7.613 1.413 651 H ALA 96 H ALA 96 -4.124 5.184 1.231 652 HA ALA 96 HA ALA 96 -6.584 6.202 2.399 653 HB1 ALA 96 1HB ALA 96 -6.278 3.268 1.787 654 HB2 ALA 96 2HB ALA 96 -7.635 4.039 2.610 655 HB3 ALA 96 3HB ALA 96 -7.323 4.387 0.911 656 H CYS 97 H CYS 97 -7.005 5.216 4.549 657 HA CYS 97 HA CYS 97 -4.481 4.499 5.879 658 HB2 CYS 97 2HB CYS 97 -5.761 6.694 6.506 659 HB3 CYS 97 1HB CYS 97 -6.844 5.606 7.365 660 H CYS 98 H CYS 98 -4.370 2.465 6.425 661 HA CYS 98 HA CYS 98 -6.823 1.031 7.156 662 HB2 CYS 98 2HB CYS 98 -6.419 0.542 4.797 663 HB3 CYS 98 1HB CYS 98 -4.760 0.076 5.155 664 HA PRO 99 HA PRO 99 -3.836 -0.138 10.394 665 HB2 PRO 99 2HB PRO 99 -6.357 -1.152 11.571 666 HB3 PRO 99 1HB PRO 99 -5.147 -0.071 12.280 667 HG2 PRO 99 2HG PRO 99 -7.531 0.839 11.524 668 HG3 PRO 99 1HG PRO 99 -6.063 1.805 11.260 669 HD2 PRO 99 2HD PRO 99 -7.590 0.109 9.307 670 HD3 PRO 99 1HD PRO 99 -6.917 1.740 9.091 671 H GLU 100 H GLU 100 -2.874 -2.150 10.706 672 HA GLU 100 HA GLU 100 -3.963 -4.447 9.354 673 HB2 GLU 100 2HB GLU 100 -1.452 -3.836 9.959 674 HB3 GLU 100 1HB GLU 100 -1.828 -4.748 11.412 675 HG2 GLU 100 2HG GLU 100 -1.508 -6.658 10.338 676 HG3 GLU 100 1HG GLU 100 -2.749 -6.234 9.157 677 H GLY 101 H GLY 101 -6.026 -4.251 10.474 678 HA2 GLY 101 1HA GLY 101 -6.841 -6.185 12.051 679 HA3 GLY 101 2HA GLY 101 -6.049 -5.170 13.254 680 H THR 102 H THR 102 -8.363 -4.848 10.562 681 HA THR 102 HA THR 102 -10.135 -3.338 12.292 682 HB THR 102 HB THR 102 -8.623 -1.623 11.362 683 HG1 THR 102 1HG THR 102 -10.615 -0.648 10.002 684 HG21 THR 102 3HG2 THR 102 -8.410 -3.063 9.163 685 HG22 THR 102 1HG2 THR 102 -8.214 -1.311 9.126 686 HG23 THR 102 2HG2 THR 102 -9.744 -2.037 8.633 687 H THR 103 H THR 103 -12.230 -3.036 11.426 688 HA THR 103 HA THR 103 -13.253 -5.201 9.919 689 HB THR 103 HB THR 103 -15.027 -2.955 9.875 690 HG1 THR 103 1HG THR 103 -14.357 -3.408 12.543 691 HG21 THR 103 3HG2 THR 103 -15.043 -5.276 11.779 692 HG22 THR 103 1HG2 THR 103 -15.509 -5.418 10.088 693 HG23 THR 103 2HG2 THR 103 -16.420 -4.364 11.165 694 H ASN 104 H ASN 104 -12.524 -1.882 9.195 695 HA ASN 104 HA ASN 104 -12.187 -2.562 6.411 696 HB2 ASN 104 2HB ASN 104 -13.641 -0.414 5.894 697 HB3 ASN 104 1HB ASN 104 -14.375 -2.006 6.035 698 HD21 ASN 104 1HD2 ASN 104 -13.369 0.576 8.274 699 HD22 ASN 104 2HD2 ASN 104 -14.849 0.592 9.163 700 H CYS 105 H CYS 105 -11.154 -0.871 5.191 701 HA CYS 105 HA CYS 105 -9.712 1.039 6.924 702 HB2 CYS 105 2HB CYS 105 -8.784 0.342 4.158 703 HB3 CYS 105 1HB CYS 105 -7.843 0.784 5.580 704 H VAL 106 H VAL 106 -9.705 3.197 6.319 705 HA VAL 106 HA VAL 106 -11.825 3.901 4.452 706 HB VAL 106 HB VAL 106 -12.273 5.764 5.682 707 HG11 VAL 106 1HG1 VAL 106 -10.772 4.274 7.816 708 HG12 VAL 106 2HG1 VAL 106 -12.214 5.274 7.998 709 HG13 VAL 106 3HG1 VAL 106 -12.313 3.728 7.155 710 HG21 VAL 106 3HG2 VAL 106 -10.671 7.068 6.992 711 HG22 VAL 106 1HG2 VAL 106 -9.404 5.903 6.607 712 HG23 VAL 106 2HG2 VAL 106 -10.125 6.877 5.325 713 H ALA 107 H ALA 107 -11.546 5.063 2.655 714 HA ALA 107 HA ALA 107 -8.823 5.655 1.817 715 HB1 ALA 107 1HB ALA 107 -11.467 5.625 0.377 716 HB2 ALA 107 2HB ALA 107 -9.994 6.260 -0.361 717 HB3 ALA 107 3HB ALA 107 -10.074 4.569 0.136 718 H VAL 108 H VAL 108 -7.980 7.654 1.767 719 HA VAL 108 HA VAL 108 -9.699 9.823 2.671 720 HB VAL 108 HB VAL 108 -7.244 10.969 2.599 721 HG11 VAL 108 1HG1 VAL 108 -8.049 11.294 4.648 722 HG12 VAL 108 2HG1 VAL 108 -8.997 9.808 4.590 723 HG13 VAL 108 3HG1 VAL 108 -7.306 9.758 5.092 724 HG21 VAL 108 3HG2 VAL 108 -6.678 8.174 3.547 725 HG22 VAL 108 1HG2 VAL 108 -6.344 8.683 1.892 726 HG23 VAL 108 2HG2 VAL 108 -5.538 9.487 3.240 727 H ASP 109 H ASP 109 -8.600 8.590 -0.120 728 HA ASP 109 HA ASP 109 -8.181 10.977 -1.637 729 HB2 ASP 109 2HB ASP 109 -7.249 9.069 -2.654 730 HB3 ASP 109 1HB ASP 109 -8.696 8.102 -2.373 731 H ASN 110 H ASN 110 -9.671 12.290 -2.503 732 HA ASN 110 HA ASN 110 -12.455 11.355 -2.602 733 HB2 ASN 110 2HB ASN 110 -11.337 13.748 -1.205 734 HB3 ASN 110 1HB ASN 110 -12.922 13.889 -1.957 735 HD21 ASN 110 1HD2 ASN 110 -11.048 12.319 0.518 736 HD22 ASN 110 2HD2 ASN 110 -12.388 11.706 1.419 737 H ALA 111 H ALA 111 -10.166 11.910 -4.573 738 HA ALA 111 HA ALA 111 -11.781 13.518 -6.412 739 HB1 ALA 111 1HB ALA 111 -9.041 14.314 -6.697 740 HB2 ALA 111 2HB ALA 111 -10.470 15.306 -6.406 741 HB3 ALA 111 3HB ALA 111 -9.592 14.604 -5.048 742 H GLY 112 H GLY 112 -9.271 11.164 -5.866 743 HA2 GLY 112 1HA GLY 112 -8.833 9.395 -7.402 744 HA3 GLY 112 2HA GLY 112 -9.409 10.428 -8.710 745 H ALA 113 H ALA 113 -7.056 11.016 -6.129 746 HA ALA 113 HA ALA 113 -4.919 11.270 -8.107 747 HB1 ALA 113 1HB ALA 113 -5.309 13.478 -6.120 748 HB2 ALA 113 2HB ALA 113 -4.365 13.477 -7.610 749 HB3 ALA 113 3HB ALA 113 -6.126 13.512 -7.681 750 H GLY 114 H GLY 114 -3.265 10.128 -7.362 751 HA2 GLY 114 1HA GLY 114 -2.104 10.565 -4.830 752 HA3 GLY 114 2HA GLY 114 -3.067 9.096 -4.781 753 H THR 115 H THR 115 -0.673 10.655 -6.903 754 HA THR 115 HA THR 115 0.462 8.132 -7.685 755 HB THR 115 HB THR 115 2.290 10.207 -8.238 756 HG1 THR 115 1HG THR 115 0.906 11.853 -7.923 757 HG21 THR 115 3HG2 THR 115 0.177 9.323 -10.175 758 HG22 THR 115 1HG2 THR 115 1.430 8.205 -9.628 759 HG23 THR 115 2HG2 THR 115 1.877 9.688 -10.469 760 H LYS 116 H LYS 116 1.792 10.966 -5.990 761 HA LYS 116 HA LYS 116 3.146 9.131 -4.134 762 HB2 LYS 116 2HB LYS 116 4.350 11.777 -4.953 763 HB3 LYS 116 1HB LYS 116 5.130 10.427 -4.142 764 HG2 LYS 116 2HG LYS 116 4.905 9.106 -6.223 765 HG3 LYS 116 1HG LYS 116 4.263 10.540 -7.024 766 HD2 LYS 116 2HD LYS 116 6.763 11.032 -5.605 767 HD3 LYS 116 1HD LYS 116 6.915 9.821 -6.881 768 HE2 LYS 116 2HE LYS 116 5.615 11.542 -8.327 769 HE3 LYS 116 1HE LYS 116 6.092 12.697 -7.083 770 HZ1 LYS 116 3HZ LYS 116 8.383 12.259 -7.515 771 HZ2 LYS 116 1HZ LYS 116 7.634 12.588 -9.002 772 HZ3 LYS 116 2HZ LYS 116 8.008 10.995 -8.576 773 H ALA 117 H ALA 117 4.017 12.164 -3.325 774 HA ALA 117 HA ALA 117 1.514 12.753 -1.895 775 HB1 ALA 117 1HB ALA 117 2.685 13.494 -0.021 776 HB2 ALA 117 2HB ALA 117 3.582 12.055 -0.511 777 HB3 ALA 117 3HB ALA 117 4.198 13.659 -0.911 778 H GLU 118 H GLU 118 0.688 14.771 -2.173 779 HA GLU 118 HA GLU 118 1.877 16.450 -4.182 780 HB2 GLU 118 2HB GLU 118 -0.547 16.194 -4.109 781 HB3 GLU 118 1HB GLU 118 -0.588 16.810 -2.462 782 HG2 GLU 118 2HG GLU 118 -1.174 18.696 -3.570 783 HG3 GLU 118 1HG GLU 118 0.577 18.890 -3.595 Start of MODEL 6 1 H1 SER 1 1H SER 1 11.861 -7.760 2.974 2 H2 SER 1 2H SER 1 12.709 -9.170 2.569 3 H3 SER 1 3H SER 1 12.932 -7.764 1.656 4 HA SER 1 HA SER 1 14.581 -7.152 2.938 5 HB2 SER 1 2HB SER 1 12.910 -7.536 5.416 6 HB3 SER 1 1HB SER 1 14.148 -6.321 5.094 7 HG SER 1 HG SER 1 11.477 -6.443 4.180 8 H LEU 2 H LEU 2 15.678 -7.859 5.293 9 HA LEU 2 HA LEU 2 16.800 -10.366 4.872 10 HB2 LEU 2 2HB LEU 2 16.854 -8.324 6.952 11 HB3 LEU 2 1HB LEU 2 17.019 -9.941 7.607 12 HG LEU 2 HG LEU 2 19.163 -8.675 7.057 13 HD11 LEU 2 1HD1 LEU 2 20.219 -10.652 6.965 14 HD12 LEU 2 2HD1 LEU 2 18.596 -11.320 7.147 15 HD13 LEU 2 3HD1 LEU 2 19.317 -11.181 5.544 16 HD21 LEU 2 3HD2 LEU 2 18.481 -7.795 4.885 17 HD22 LEU 2 1HD2 LEU 2 19.926 -8.795 4.743 18 HD23 LEU 2 2HD2 LEU 2 18.360 -9.438 4.252 19 HA PRO 3 HA PRO 3 13.679 -13.257 6.097 20 HB2 PRO 3 2HB PRO 3 15.989 -14.964 6.839 21 HB3 PRO 3 1HB PRO 3 14.656 -15.293 5.729 22 HG2 PRO 3 2HG PRO 3 17.088 -14.757 4.803 23 HG3 PRO 3 1HG PRO 3 15.646 -14.127 3.985 24 HD2 PRO 3 2HD PRO 3 17.549 -12.724 5.818 25 HD3 PRO 3 1HD PRO 3 16.782 -12.136 4.327 26 H ALA 4 H ALA 4 12.807 -12.358 7.933 27 HA ALA 4 HA ALA 4 13.418 -13.699 10.391 28 HB1 ALA 4 1HB ALA 4 13.417 -10.798 10.865 29 HB2 ALA 4 2HB ALA 4 14.394 -12.068 11.603 30 HB3 ALA 4 3HB ALA 4 14.850 -11.404 10.035 31 H SER 5 H SER 5 11.736 -13.306 11.997 32 HA SER 5 HA SER 5 9.187 -12.822 10.775 33 HB2 SER 5 2HB SER 5 8.936 -13.008 13.597 34 HB3 SER 5 1HB SER 5 8.589 -14.252 12.393 35 HG SER 5 HG SER 5 10.427 -15.215 12.842 36 H ALA 6 H ALA 6 11.476 -10.775 11.853 37 HA ALA 6 HA ALA 6 9.651 -8.864 13.116 38 HB1 ALA 6 1HB ALA 6 11.627 -9.254 14.389 39 HB2 ALA 6 2HB ALA 6 12.657 -8.992 12.982 40 HB3 ALA 6 3HB ALA 6 11.764 -7.643 13.685 41 H ALA 7 H ALA 7 9.353 -9.282 10.348 42 HA ALA 7 HA ALA 7 10.644 -7.045 9.019 43 HB1 ALA 7 1HB ALA 7 10.420 -9.004 7.691 44 HB2 ALA 7 2HB ALA 7 8.700 -9.134 8.058 45 HB3 ALA 7 3HB ALA 7 9.289 -7.814 7.047 46 H LYS 8 H LYS 8 9.473 -5.790 10.891 47 HA LYS 8 HA LYS 8 6.951 -4.754 9.779 48 HB2 LYS 8 2HB LYS 8 7.538 -5.739 12.517 49 HB3 LYS 8 1HB LYS 8 6.556 -4.286 12.395 50 HG2 LYS 8 2HG LYS 8 5.046 -5.546 10.843 51 HG3 LYS 8 1HG LYS 8 5.969 -6.998 11.237 52 HD2 LYS 8 2HD LYS 8 4.377 -7.216 12.837 53 HD3 LYS 8 1HD LYS 8 5.434 -6.110 13.720 54 HE2 LYS 8 2HE LYS 8 4.040 -4.262 12.546 55 HE3 LYS 8 1HE LYS 8 2.861 -5.551 12.295 56 HZ1 LYS 8 3HZ LYS 8 2.680 -4.113 14.392 57 HZ2 LYS 8 1HZ LYS 8 3.980 -5.035 14.979 58 HZ3 LYS 8 2HZ LYS 8 2.517 -5.791 14.559 59 H ASN 9 H ASN 9 10.040 -4.038 10.294 60 HA ASN 9 HA ASN 9 9.461 -1.213 10.858 61 HB2 ASN 9 2HB ASN 9 11.565 -1.013 12.075 62 HB3 ASN 9 1HB ASN 9 10.563 -2.259 12.808 63 HD21 ASN 9 1HD2 ASN 9 13.615 -1.521 11.833 64 HD22 ASN 9 2HD2 ASN 9 14.258 -3.120 11.682 65 H ALA 10 H ALA 10 9.775 -2.769 8.363 66 HA ALA 10 HA ALA 10 12.307 -1.823 7.284 67 HB1 ALA 10 1HB ALA 10 10.980 -2.971 5.185 68 HB2 ALA 10 2HB ALA 10 12.094 -3.804 6.269 69 HB3 ALA 10 3HB ALA 10 10.357 -3.876 6.565 70 H LYS 11 H LYS 11 12.489 -0.294 5.657 71 HA LYS 11 HA LYS 11 10.164 1.457 5.379 72 HB2 LYS 11 2HB LYS 11 13.095 1.878 4.771 73 HB3 LYS 11 1HB LYS 11 11.843 3.057 4.403 74 HG2 LYS 11 2HG LYS 11 11.572 2.279 7.126 75 HG3 LYS 11 1HG LYS 11 13.260 2.689 6.822 76 HD2 LYS 11 2HD LYS 11 12.016 4.717 5.538 77 HD3 LYS 11 1HD LYS 11 10.861 4.402 6.835 78 HE2 LYS 11 2HE LYS 11 12.531 4.756 8.502 79 HE3 LYS 11 1HE LYS 11 13.813 4.791 7.293 80 HZ1 LYS 11 3HZ LYS 11 11.737 6.831 7.827 81 HZ2 LYS 11 1HZ LYS 11 12.601 6.804 6.369 82 HZ3 LYS 11 2HZ LYS 11 13.421 7.012 7.845 83 H LEU 12 H LEU 12 9.658 2.358 3.269 84 HA LEU 12 HA LEU 12 9.567 0.282 1.283 85 HB2 LEU 12 2HB LEU 12 8.537 3.118 1.183 86 HB3 LEU 12 1HB LEU 12 8.183 1.874 0.004 87 HG LEU 12 HG LEU 12 7.231 0.604 2.125 88 HD11 LEU 12 1HD1 LEU 12 7.937 3.043 3.267 89 HD12 LEU 12 2HD1 LEU 12 6.188 3.135 3.055 90 HD13 LEU 12 3HD1 LEU 12 6.897 1.805 3.974 91 HD21 LEU 12 3HD2 LEU 12 5.676 2.869 0.898 92 HD22 LEU 12 1HD2 LEU 12 6.070 1.388 0.022 93 HD23 LEU 12 2HD2 LEU 12 5.068 1.316 1.473 94 H ALA 13 H ALA 13 12.091 0.554 1.368 95 HA ALA 13 HA ALA 13 14.053 1.204 0.355 96 HB1 ALA 13 1HB ALA 13 13.930 -0.166 -1.374 97 HB2 ALA 13 2HB ALA 13 12.183 0.045 -1.476 98 HB3 ALA 13 3HB ALA 13 13.257 1.152 -2.331 99 H THR 14 H THR 14 13.942 3.448 1.178 100 HA THR 14 HA THR 14 14.168 5.696 0.951 101 HB THR 14 HB THR 14 14.271 5.598 -2.022 102 HG1 THR 14 1HG THR 14 15.471 3.802 -1.746 103 HG21 THR 14 3HG2 THR 14 15.644 7.001 0.230 104 HG22 THR 14 1HG2 THR 14 14.883 7.675 -1.214 105 HG23 THR 14 2HG2 THR 14 16.453 6.884 -1.331 106 H SER 15 H SER 15 11.777 5.366 1.522 107 HA SER 15 HA SER 15 9.867 6.033 -0.541 108 HB2 SER 15 2HB SER 15 8.821 6.130 2.149 109 HB3 SER 15 1HB SER 15 8.460 4.980 0.858 110 HG SER 15 HG SER 15 10.289 3.801 1.469 111 H ALA 16 H ALA 16 11.604 8.117 -0.442 112 HA ALA 16 HA ALA 16 10.906 10.126 1.450 113 HB1 ALA 16 1HB ALA 16 12.470 11.426 0.435 114 HB2 ALA 16 2HB ALA 16 12.974 9.872 -0.233 115 HB3 ALA 16 3HB ALA 16 11.962 10.957 -1.187 116 H ALA 17 H ALA 17 10.134 9.687 -1.986 117 HA ALA 17 HA ALA 17 8.216 11.693 -2.228 118 HB1 ALA 17 1HB ALA 17 7.964 10.906 -4.312 119 HB2 ALA 17 2HB ALA 17 9.320 9.852 -3.901 120 HB3 ALA 17 3HB ALA 17 7.664 9.258 -3.761 121 H PHE 18 H PHE 18 7.934 8.446 -0.939 122 HA PHE 18 HA PHE 18 5.086 8.393 -0.868 123 HB2 PHE 18 2HB PHE 18 6.527 6.345 -0.765 124 HB3 PHE 18 1HB PHE 18 7.003 6.810 0.867 125 HD1 PHE 18 2HD PHE 18 3.731 6.714 -0.934 126 HD2 PHE 18 1HD PHE 18 6.004 5.421 2.430 127 HE1 PHE 18 2HE PHE 18 1.750 5.570 -0.042 128 HE2 PHE 18 1HE PHE 18 4.014 4.279 3.331 129 HZ PHE 18 HZ PHE 18 1.888 4.352 2.093 130 H ALA 19 H ALA 19 7.579 9.103 1.538 131 HA ALA 19 HA ALA 19 5.769 9.656 3.646 132 HB1 ALA 19 1HB ALA 19 8.631 9.766 3.205 133 HB2 ALA 19 2HB ALA 19 8.049 11.039 4.278 134 HB3 ALA 19 3HB ALA 19 7.718 9.345 4.652 135 H LYS 20 H LYS 20 6.938 11.567 0.997 136 HA LYS 20 HA LYS 20 6.389 14.141 2.077 137 HB2 LYS 20 2HB LYS 20 6.810 13.013 -0.659 138 HB3 LYS 20 1HB LYS 20 6.104 14.616 -0.521 139 HG2 LYS 20 2HG LYS 20 8.043 15.435 0.626 140 HG3 LYS 20 1HG LYS 20 8.724 13.810 0.725 141 HD2 LYS 20 2HD LYS 20 8.147 14.317 -2.001 142 HD3 LYS 20 1HD LYS 20 8.988 15.736 -1.367 143 HE2 LYS 20 2HE LYS 20 10.822 14.408 -0.628 144 HE3 LYS 20 1HE LYS 20 9.949 12.912 -0.965 145 HZ1 LYS 20 3HZ LYS 20 11.449 14.617 -2.743 146 HZ2 LYS 20 1HZ LYS 20 9.945 14.134 -3.368 147 HZ3 LYS 20 2HZ LYS 20 11.077 12.966 -2.886 148 H GLN 21 H GLN 21 4.543 11.611 0.742 149 HA GLN 21 HA GLN 21 2.153 13.224 0.369 150 HB2 GLN 21 2HB GLN 21 3.212 11.005 -0.891 151 HB3 GLN 21 1HB GLN 21 1.927 10.325 0.094 152 HG2 GLN 21 2HG GLN 21 0.396 12.052 -0.920 153 HG3 GLN 21 1HG GLN 21 1.716 12.446 -2.022 154 HE21 GLN 21 1HE2 GLN 21 1.425 9.184 -1.023 155 HE22 GLN 21 2HE2 GLN 21 0.733 8.564 -2.479 156 H ALA 22 H ALA 22 3.451 10.689 2.426 157 HA ALA 22 HA ALA 22 1.064 10.054 3.800 158 HB1 ALA 22 1HB ALA 22 3.265 9.483 5.473 159 HB2 ALA 22 2HB ALA 22 2.361 8.375 4.439 160 HB3 ALA 22 3HB ALA 22 3.785 9.205 3.811 161 H GLU 23 H GLU 23 3.205 12.712 4.093 162 HA GLU 23 HA GLU 23 2.476 13.252 6.847 163 HB2 GLU 23 2HB GLU 23 4.072 14.940 6.839 164 HB3 GLU 23 1HB GLU 23 4.754 13.765 5.725 165 HG2 GLU 23 2HG GLU 23 4.735 15.212 4.044 166 HG3 GLU 23 1HG GLU 23 3.069 15.692 4.373 167 H GLY 24 H GLY 24 1.083 13.716 3.865 168 HA2 GLY 24 1HA GLY 24 -0.394 16.102 4.765 169 HA3 GLY 24 2HA GLY 24 -0.277 15.554 3.095 170 H THR 25 H THR 25 -0.624 12.876 4.952 171 HA THR 25 HA THR 25 -3.553 12.867 4.625 172 HB THR 25 HB THR 25 -2.759 10.213 4.831 173 HG1 THR 25 1HG THR 25 -0.925 11.662 3.180 174 HG21 THR 25 3HG2 THR 25 -4.465 11.253 3.319 175 HG22 THR 25 1HG2 THR 25 -3.459 10.032 2.543 176 HG23 THR 25 2HG2 THR 25 -3.144 11.743 2.259 177 H THR 26 H THR 26 -4.688 12.707 6.493 178 HA THR 26 HA THR 26 -3.299 12.497 8.979 179 HB THR 26 HB THR 26 -6.156 12.107 9.229 180 HG1 THR 26 1HG THR 26 -6.770 13.293 7.585 181 HG21 THR 26 3HG2 THR 26 -4.045 13.566 10.422 182 HG22 THR 26 1HG2 THR 26 -5.705 13.399 10.992 183 HG23 THR 26 2HG2 THR 26 -5.267 14.737 9.932 184 H CYS 27 H CYS 27 -2.345 10.527 9.133 185 HA CYS 27 HA CYS 27 -4.055 8.329 9.930 186 HB2 CYS 27 2HB CYS 27 -1.892 7.860 7.864 187 HB3 CYS 27 1HB CYS 27 -3.041 6.688 8.490 188 H ASN 28 H ASN 28 -2.342 6.409 10.504 189 HA ASN 28 HA ASN 28 -0.165 7.685 12.029 190 HB2 ASN 28 2HB ASN 28 -1.979 6.519 13.359 191 HB3 ASN 28 1HB ASN 28 -1.463 5.013 12.605 192 HD21 ASN 28 1HD2 ASN 28 -0.760 7.421 14.970 193 HD22 ASN 28 2HD2 ASN 28 0.594 6.610 15.704 194 H VAL 29 H VAL 29 1.868 6.609 12.051 195 HA VAL 29 HA VAL 29 2.703 5.564 9.598 196 HB VAL 29 HB VAL 29 4.030 5.253 12.298 197 HG11 VAL 29 1HG1 VAL 29 4.708 3.853 10.099 198 HG12 VAL 29 2HG1 VAL 29 5.640 5.326 9.824 199 HG13 VAL 29 3HG1 VAL 29 5.876 4.396 11.306 200 HG21 VAL 29 3HG2 VAL 29 3.476 7.598 11.255 201 HG22 VAL 29 1HG2 VAL 29 5.052 7.293 11.983 202 HG23 VAL 29 2HG2 VAL 29 4.864 7.237 10.230 203 H GLY 30 H GLY 30 1.755 3.904 12.574 204 HA2 GLY 30 1HA GLY 30 2.377 1.287 11.516 205 HA3 GLY 30 2HA GLY 30 1.594 1.641 13.048 206 H SER 31 H SER 31 0.078 3.316 10.589 207 HA SER 31 HA SER 31 -1.701 1.124 9.853 208 HB2 SER 31 2HB SER 31 -3.147 3.596 10.554 209 HB3 SER 31 1HB SER 31 -3.571 1.915 10.868 210 HG SER 31 HG SER 31 -1.851 2.030 12.525 211 H ILE 32 H ILE 32 0.299 2.649 8.431 212 HA ILE 32 HA ILE 32 -1.298 4.332 6.655 213 HB ILE 32 HB ILE 32 1.299 4.635 7.598 214 HG12 ILE 32 2HG1 ILE 32 0.703 6.109 5.136 215 HG13 ILE 32 1HG1 ILE 32 -0.621 6.107 6.297 216 HG21 ILE 32 1HG2 ILE 32 1.768 2.912 5.640 217 HG22 ILE 32 2HG2 ILE 32 1.713 4.386 4.675 218 HG23 ILE 32 3HG2 ILE 32 2.865 4.243 6.003 219 HD11 ILE 32 3HD1 ILE 32 0.592 7.261 7.875 220 HD12 ILE 32 1HD1 ILE 32 2.145 6.781 7.186 221 HD13 ILE 32 2HD1 ILE 32 1.149 7.984 6.366 222 H ALA 33 H ALA 33 -1.742 3.800 4.560 223 HA ALA 33 HA ALA 33 -0.615 1.361 3.458 224 HB1 ALA 33 1HB ALA 33 -3.541 1.306 3.349 225 HB2 ALA 33 2HB ALA 33 -2.391 0.010 3.673 226 HB3 ALA 33 3HB ALA 33 -2.871 1.109 4.968 227 H CYS 34 H CYS 34 -1.550 0.883 1.283 228 HA CYS 34 HA CYS 34 -2.406 3.337 -0.093 229 HB2 CYS 34 2HB CYS 34 -0.092 2.177 -0.621 230 HB3 CYS 34 1HB CYS 34 -1.105 1.089 -1.566 231 H CYS 35 H CYS 35 -4.113 3.187 -1.499 232 HA CYS 35 HA CYS 35 -5.498 0.595 -1.607 233 HB2 CYS 35 2HB CYS 35 -6.385 3.127 -0.494 234 HB3 CYS 35 1HB CYS 35 -7.468 2.569 -1.764 235 H ASN 36 H ASN 36 -6.875 0.307 -3.458 236 HA ASN 36 HA ASN 36 -6.783 2.214 -5.613 237 HB2 ASN 36 2HB ASN 36 -4.611 0.842 -5.740 238 HB3 ASN 36 1HB ASN 36 -5.638 -0.515 -6.195 239 HD21 ASN 36 1HD2 ASN 36 -4.456 -0.522 -8.200 240 HD22 ASN 36 2HD2 ASN 36 -4.928 0.569 -9.459 241 H SER 37 H SER 37 -8.086 1.498 -7.458 242 HA SER 37 HA SER 37 -10.582 0.575 -6.624 243 HB2 SER 37 2HB SER 37 -9.687 0.514 -9.493 244 HB3 SER 37 1HB SER 37 -11.271 0.926 -8.837 245 HG SER 37 HG SER 37 -9.018 2.494 -9.156 246 HA PRO 38 HA PRO 38 -10.389 -3.775 -6.610 247 HB2 PRO 38 2HB PRO 38 -12.913 -4.422 -7.462 248 HB3 PRO 38 1HB PRO 38 -12.539 -3.839 -5.836 249 HG2 PRO 38 2HG PRO 38 -13.619 -2.350 -8.188 250 HG3 PRO 38 1HG PRO 38 -14.065 -2.219 -6.478 251 HD2 PRO 38 2HD PRO 38 -12.455 -0.423 -7.696 252 HD3 PRO 38 1HD PRO 38 -12.272 -0.852 -5.984 253 H ALA 39 H ALA 39 -11.344 -2.230 -9.609 254 HA ALA 39 HA ALA 39 -11.513 -4.580 -11.190 255 HB1 ALA 39 1HB ALA 39 -11.590 -3.107 -13.092 256 HB2 ALA 39 2HB ALA 39 -12.545 -2.403 -11.789 257 HB3 ALA 39 3HB ALA 39 -10.936 -1.774 -12.139 258 H GLU 40 H GLU 40 -8.893 -2.983 -9.846 259 HA GLU 40 HA GLU 40 -7.020 -4.132 -11.799 260 HB2 GLU 40 2HB GLU 40 -6.496 -2.041 -9.674 261 HB3 GLU 40 1HB GLU 40 -5.354 -2.597 -10.889 262 HG2 GLU 40 2HG GLU 40 -6.033 -0.777 -11.998 263 HG3 GLU 40 1HG GLU 40 -7.382 -1.807 -12.471 264 H THR 41 H THR 41 -7.521 -3.708 -8.305 265 HA THR 41 HA THR 41 -5.420 -5.450 -7.560 266 HB THR 41 HB THR 41 -6.579 -3.572 -6.189 267 HG1 THR 41 1HG THR 41 -5.804 -6.066 -5.042 268 HG21 THR 41 3HG2 THR 41 -8.732 -5.282 -6.306 269 HG22 THR 41 1HG2 THR 41 -8.525 -3.962 -5.153 270 HG23 THR 41 2HG2 THR 41 -8.058 -5.603 -4.709 271 H ASN 42 H ASN 42 -8.666 -6.061 -8.546 272 HA ASN 42 HA ASN 42 -8.590 -8.747 -7.351 273 HB2 ASN 42 2HB ASN 42 -10.723 -6.833 -7.939 274 HB3 ASN 42 1HB ASN 42 -11.085 -8.468 -8.469 275 HD21 ASN 42 1HD2 ASN 42 -9.985 -6.597 -5.705 276 HD22 ASN 42 2HD2 ASN 42 -10.689 -7.616 -4.499 277 H ASN 43 H ASN 43 -7.600 -7.395 -10.104 278 HA ASN 43 HA ASN 43 -8.962 -8.943 -12.078 279 HB2 ASN 43 2HB ASN 43 -7.535 -6.709 -12.279 280 HB3 ASN 43 1HB ASN 43 -6.249 -7.855 -12.650 281 HD21 ASN 43 1HD2 ASN 43 -8.649 -6.014 -13.931 282 HD22 ASN 43 2HD2 ASN 43 -8.850 -6.828 -15.445 283 H ASP 44 H ASP 44 -5.765 -9.212 -10.559 284 HA ASP 44 HA ASP 44 -5.123 -11.649 -11.938 285 HB2 ASP 44 2HB ASP 44 -3.406 -10.022 -11.096 286 HB3 ASP 44 1HB ASP 44 -3.833 -10.486 -9.455 287 H SER 45 H SER 45 -5.497 -13.681 -11.320 288 HA SER 45 HA SER 45 -7.390 -14.306 -9.344 289 HB2 SER 45 2HB SER 45 -5.800 -16.595 -9.910 290 HB3 SER 45 1HB SER 45 -7.390 -16.189 -10.560 291 HG SER 45 HG SER 45 -4.910 -16.011 -11.734 292 H LEU 46 H LEU 46 -3.953 -13.905 -9.237 293 HA LEU 46 HA LEU 46 -3.708 -15.202 -6.650 294 HB2 LEU 46 2HB LEU 46 -1.927 -15.090 -8.544 295 HB3 LEU 46 1HB LEU 46 -1.593 -13.490 -7.906 296 HG LEU 46 HG LEU 46 -0.944 -14.397 -5.777 297 HD11 LEU 46 1HD1 LEU 46 -1.807 -16.282 -5.014 298 HD12 LEU 46 2HD1 LEU 46 -2.545 -16.595 -6.585 299 HD13 LEU 46 3HD1 LEU 46 -0.920 -17.186 -6.241 300 HD21 LEU 46 3HD2 LEU 46 1.087 -14.856 -6.546 301 HD22 LEU 46 1HD2 LEU 46 0.540 -16.371 -7.263 302 HD23 LEU 46 2HD2 LEU 46 0.405 -14.866 -8.171 303 H LEU 47 H LEU 47 -4.036 -12.005 -7.997 304 HA LEU 47 HA LEU 47 -3.144 -10.526 -5.769 305 HB2 LEU 47 2HB LEU 47 -4.138 -9.974 -8.344 306 HB3 LEU 47 1HB LEU 47 -5.194 -9.128 -7.227 307 HG LEU 47 HG LEU 47 -3.504 -7.590 -7.840 308 HD11 LEU 47 1HD1 LEU 47 -4.038 -7.885 -5.352 309 HD12 LEU 47 2HD1 LEU 47 -2.445 -8.636 -5.235 310 HD13 LEU 47 3HD1 LEU 47 -2.597 -6.965 -5.783 311 HD21 LEU 47 3HD2 LEU 47 -1.294 -8.042 -8.171 312 HD22 LEU 47 1HD2 LEU 47 -1.253 -9.318 -6.955 313 HD23 LEU 47 2HD2 LEU 47 -1.976 -9.627 -8.534 314 H SER 48 H SER 48 -6.256 -11.900 -6.615 315 HA SER 48 HA SER 48 -7.810 -10.539 -4.696 316 HB2 SER 48 2HB SER 48 -8.925 -13.107 -5.113 317 HB3 SER 48 1HB SER 48 -9.387 -11.588 -5.881 318 HG SER 48 HG SER 48 -8.147 -12.043 -7.600 319 H GLY 49 H GLY 49 -5.532 -13.087 -4.408 320 HA2 GLY 49 1HA GLY 49 -6.402 -13.638 -1.650 321 HA3 GLY 49 2HA GLY 49 -5.250 -14.596 -2.568 322 H LEU 50 H LEU 50 -3.839 -12.250 -3.553 323 HA LEU 50 HA LEU 50 -1.852 -11.973 -1.612 324 HB2 LEU 50 2HB LEU 50 -2.411 -10.950 -4.254 325 HB3 LEU 50 1HB LEU 50 -1.725 -9.695 -3.242 326 HG LEU 50 HG LEU 50 0.197 -11.177 -2.750 327 HD11 LEU 50 1HD1 LEU 50 0.348 -13.077 -4.578 328 HD12 LEU 50 2HD1 LEU 50 -0.395 -13.360 -3.003 329 HD13 LEU 50 3HD1 LEU 50 -1.408 -13.035 -4.411 330 HD21 LEU 50 3HD2 LEU 50 -0.506 -10.108 -5.388 331 HD22 LEU 50 1HD2 LEU 50 0.925 -9.833 -4.395 332 HD23 LEU 50 2HD2 LEU 50 0.806 -11.285 -5.390 333 H LEU 51 H LEU 51 -4.675 -9.996 -2.340 334 HA LEU 51 HA LEU 51 -3.920 -7.843 -0.620 335 HB2 LEU 51 2HB LEU 51 -6.269 -7.087 -0.917 336 HB3 LEU 51 1HB LEU 51 -5.404 -7.344 -2.417 337 HG LEU 51 HG LEU 51 -6.605 -9.716 -2.283 338 HD11 LEU 51 1HD1 LEU 51 -8.044 -8.007 -0.359 339 HD12 LEU 51 2HD1 LEU 51 -9.045 -8.901 -1.503 340 HD13 LEU 51 3HD1 LEU 51 -7.921 -9.763 -0.450 341 HD21 LEU 51 3HD2 LEU 51 -6.860 -7.456 -3.786 342 HD22 LEU 51 1HD2 LEU 51 -7.746 -8.957 -4.058 343 HD23 LEU 51 2HD2 LEU 51 -8.491 -7.645 -3.142 344 H GLY 52 H GLY 52 -5.017 -10.940 0.004 345 HA2 GLY 52 1HA GLY 52 -6.216 -10.120 2.568 346 HA3 GLY 52 2HA GLY 52 -6.613 -11.608 1.723 347 H ALA 53 H ALA 53 -3.783 -9.926 3.079 348 HA ALA 53 HA ALA 53 -2.371 -12.399 3.448 349 HB1 ALA 53 1HB ALA 53 -1.761 -9.538 4.119 350 HB2 ALA 53 2HB ALA 53 -0.734 -10.855 4.686 351 HB3 ALA 53 3HB ALA 53 -0.965 -10.599 2.956 352 H GLY 54 H GLY 54 -4.356 -13.169 4.764 353 HA2 GLY 54 1HA GLY 54 -4.588 -14.255 6.834 354 HA3 GLY 54 2HA GLY 54 -3.480 -13.095 7.545 355 H LEU 55 H LEU 55 -6.771 -13.580 6.412 356 HA LEU 55 HA LEU 55 -8.775 -12.802 7.137 357 HB2 LEU 55 2HB LEU 55 -7.346 -13.229 9.393 358 HB3 LEU 55 1HB LEU 55 -7.716 -11.526 9.577 359 HG LEU 55 HG LEU 55 -10.158 -12.197 9.156 360 HD11 LEU 55 1HD1 LEU 55 -9.800 -14.416 8.298 361 HD12 LEU 55 2HD1 LEU 55 -8.966 -14.892 9.777 362 HD13 LEU 55 3HD1 LEU 55 -10.688 -14.517 9.817 363 HD21 LEU 55 3HD2 LEU 55 -8.496 -12.494 11.561 364 HD22 LEU 55 1HD2 LEU 55 -9.974 -11.567 11.306 365 HD23 LEU 55 2HD2 LEU 55 -10.065 -13.296 11.632 366 H LEU 56 H LEU 56 -6.752 -10.994 5.768 367 HA LEU 56 HA LEU 56 -7.007 -8.339 6.464 368 HB2 LEU 56 2HB LEU 56 -6.056 -9.815 4.280 369 HB3 LEU 56 1HB LEU 56 -7.208 -8.683 3.603 370 HG LEU 56 HG LEU 56 -5.003 -7.740 3.490 371 HD11 LEU 56 1HD1 LEU 56 -5.667 -5.966 5.569 372 HD12 LEU 56 2HD1 LEU 56 -5.971 -5.789 3.841 373 HD13 LEU 56 3HD1 LEU 56 -7.179 -6.550 4.874 374 HD21 LEU 56 3HD2 LEU 56 -3.671 -7.302 5.485 375 HD22 LEU 56 1HD2 LEU 56 -4.885 -8.110 6.477 376 HD23 LEU 56 2HD2 LEU 56 -3.969 -9.028 5.284 377 H ASN 57 H ASN 57 -8.432 -6.689 5.986 378 HA ASN 57 HA ASN 57 -11.067 -7.489 4.963 379 HB2 ASN 57 2HB ASN 57 -10.733 -6.593 7.409 380 HB3 ASN 57 1HB ASN 57 -10.632 -5.024 6.618 381 HD21 ASN 57 1HD2 ASN 57 -12.585 -5.391 8.392 382 HD22 ASN 57 2HD2 ASN 57 -14.116 -5.526 7.611 383 H GLY 58 H GLY 58 -12.182 -5.179 4.300 384 HA2 GLY 58 1HA GLY 58 -10.387 -4.215 2.161 385 HA3 GLY 58 2HA GLY 58 -12.134 -4.343 2.015 386 H LEU 59 H LEU 59 -12.069 -2.124 1.335 387 HA LEU 59 HA LEU 59 -11.303 -0.091 3.204 388 HB2 LEU 59 2HB LEU 59 -11.075 0.713 1.086 389 HB3 LEU 59 1HB LEU 59 -12.416 -0.227 0.469 390 HG LEU 59 HG LEU 59 -13.899 1.457 1.766 391 HD11 LEU 59 1HD1 LEU 59 -13.019 3.384 2.532 392 HD12 LEU 59 2HD1 LEU 59 -11.545 2.424 2.665 393 HD13 LEU 59 3HD1 LEU 59 -11.801 3.455 1.256 394 HD21 LEU 59 3HD2 LEU 59 -14.134 2.706 -0.184 395 HD22 LEU 59 1HD2 LEU 59 -12.421 2.567 -0.585 396 HD23 LEU 59 2HD2 LEU 59 -13.481 1.165 -0.744 397 H SER 60 H SER 60 -12.573 1.105 4.520 398 HA SER 60 HA SER 60 -14.701 -0.099 5.786 399 HB2 SER 60 2HB SER 60 -14.015 2.847 5.710 400 HB3 SER 60 1HB SER 60 -15.042 2.071 6.911 401 HG SER 60 HG SER 60 -12.645 2.415 7.329 402 H GLY 61 H GLY 61 -16.537 -0.669 4.811 403 HA2 GLY 61 1HA GLY 61 -18.779 -0.127 4.384 404 HA3 GLY 61 2HA GLY 61 -18.295 1.529 4.059 405 H ASN 62 H ASN 62 -16.149 0.042 2.241 406 HA ASN 62 HA ASN 62 -17.999 -0.336 -0.013 407 HB2 ASN 62 2HB ASN 62 -16.840 1.926 -0.024 408 HB3 ASN 62 1HB ASN 62 -15.338 1.049 -0.310 409 HD21 ASN 62 1HD2 ASN 62 -14.820 0.586 -2.333 410 HD22 ASN 62 2HD2 ASN 62 -15.887 0.685 -3.690 411 H THR 63 H THR 63 -17.836 -2.287 -0.728 412 HA THR 63 HA THR 63 -15.623 -3.989 -0.124 413 HB THR 63 HB THR 63 -17.385 -5.099 -2.102 414 HG1 THR 63 1HG THR 63 -18.661 -3.862 0.145 415 HG21 THR 63 3HG2 THR 63 -18.082 -6.398 0.085 416 HG22 THR 63 1HG2 THR 63 -16.667 -5.580 0.753 417 HG23 THR 63 2HG2 THR 63 -16.495 -6.641 -0.645 418 H GLY 64 H GLY 64 -14.431 -5.206 -1.766 419 HA2 GLY 64 1HA GLY 64 -13.624 -5.527 -3.960 420 HA3 GLY 64 2HA GLY 64 -14.349 -3.997 -4.427 421 H SER 65 H SER 65 -13.303 -2.362 -2.408 422 HA SER 65 HA SER 65 -10.657 -1.982 -3.492 423 HB2 SER 65 2HB SER 65 -11.663 -0.272 -1.278 424 HB3 SER 65 1HB SER 65 -10.846 0.183 -2.775 425 HG SER 65 HG SER 65 -13.100 -0.816 -3.555 426 H ALA 66 H ALA 66 -8.934 -2.899 -2.657 427 HA ALA 66 HA ALA 66 -8.922 -3.660 0.184 428 HB1 ALA 66 1HB ALA 66 -7.691 -5.506 -0.331 429 HB2 ALA 66 2HB ALA 66 -8.504 -5.297 -1.883 430 HB3 ALA 66 3HB ALA 66 -6.856 -4.710 -1.667 431 H CYS 67 H CYS 67 -7.199 -3.051 1.507 432 HA CYS 67 HA CYS 67 -5.446 -0.999 0.328 433 HB2 CYS 67 2HB CYS 67 -7.216 -0.879 2.577 434 HB3 CYS 67 1HB CYS 67 -5.562 -0.655 3.134 435 H ALA 68 H ALA 68 -3.324 -1.290 0.479 436 HA ALA 68 HA ALA 68 -2.362 -3.521 2.155 437 HB1 ALA 68 1HB ALA 68 -1.948 -2.889 -0.618 438 HB2 ALA 68 2HB ALA 68 -0.410 -2.941 0.243 439 HB3 ALA 68 3HB ALA 68 -1.488 -4.334 0.284 440 H LYS 69 H LYS 69 -0.891 -3.121 3.648 441 HA LYS 69 HA LYS 69 0.078 -0.381 3.920 442 HB2 LYS 69 2HB LYS 69 0.895 -1.587 6.193 443 HB3 LYS 69 1HB LYS 69 -0.689 -0.847 6.007 444 HG2 LYS 69 2HG LYS 69 -0.361 -3.711 5.265 445 HG3 LYS 69 1HG LYS 69 -0.416 -3.273 6.975 446 HD2 LYS 69 2HD LYS 69 -2.601 -2.656 6.888 447 HD3 LYS 69 1HD LYS 69 -2.481 -2.068 5.227 448 HE2 LYS 69 2HE LYS 69 -2.498 -4.348 4.395 449 HE3 LYS 69 1HE LYS 69 -2.531 -4.972 6.045 450 HZ1 LYS 69 3HZ LYS 69 -4.732 -4.990 5.708 451 HZ2 LYS 69 1HZ LYS 69 -4.673 -3.869 4.437 452 HZ3 LYS 69 2HZ LYS 69 -4.646 -3.338 6.051 453 H ALA 70 H ALA 70 2.376 -0.314 4.987 454 HA ALA 70 HA ALA 70 4.208 -1.181 3.068 455 HB1 ALA 70 1HB ALA 70 4.629 -0.261 5.902 456 HB2 ALA 70 2HB ALA 70 5.948 -0.574 4.774 457 HB3 ALA 70 3HB ALA 70 4.768 0.688 4.423 458 H SER 71 H SER 71 3.063 -2.733 5.980 459 HA SER 71 HA SER 71 5.037 -4.737 6.179 460 HB2 SER 71 2HB SER 71 2.571 -5.747 7.144 461 HB3 SER 71 1HB SER 71 3.887 -5.031 8.079 462 HG SER 71 HG SER 71 2.369 -3.607 8.519 463 H LEU 72 H LEU 72 2.225 -4.372 4.161 464 HA LEU 72 HA LEU 72 2.206 -7.176 3.393 465 HB2 LEU 72 2HB LEU 72 0.374 -4.953 3.200 466 HB3 LEU 72 1HB LEU 72 0.563 -5.734 1.639 467 HG LEU 72 HG LEU 72 -0.007 -7.906 2.688 468 HD11 LEU 72 1HD1 LEU 72 -0.545 -8.165 4.892 469 HD12 LEU 72 2HD1 LEU 72 0.699 -6.919 5.012 470 HD13 LEU 72 3HD1 LEU 72 -1.006 -6.473 5.096 471 HD21 LEU 72 3HD2 LEU 72 -2.163 -5.904 3.281 472 HD22 LEU 72 1HD2 LEU 72 -1.692 -6.313 1.632 473 HD23 LEU 72 2HD2 LEU 72 -2.330 -7.561 2.704 474 H ILE 73 H ILE 73 3.655 -4.269 2.423 475 HA ILE 73 HA ILE 73 4.025 -4.759 -0.320 476 HB ILE 73 HB ILE 73 5.127 -2.919 1.680 477 HG12 ILE 73 2HG1 ILE 73 5.152 -1.616 -0.698 478 HG13 ILE 73 1HG1 ILE 73 3.974 -2.878 -1.037 479 HG21 ILE 73 1HG2 ILE 73 7.009 -4.253 0.009 480 HG22 ILE 73 2HG2 ILE 73 6.875 -2.574 -0.512 481 HG23 ILE 73 3HG2 ILE 73 7.284 -2.947 1.163 482 HD11 ILE 73 3HD1 ILE 73 2.937 -2.108 1.231 483 HD12 ILE 73 1HD1 ILE 73 3.836 -0.626 0.906 484 HD13 ILE 73 2HD1 ILE 73 2.632 -1.200 -0.249 485 H ASP 74 H ASP 74 5.917 -5.663 2.534 486 HA ASP 74 HA ASP 74 7.813 -7.141 0.896 487 HB2 ASP 74 2HB ASP 74 8.202 -5.792 3.174 488 HB3 ASP 74 1HB ASP 74 7.835 -7.371 3.864 489 H GLN 75 H GLN 75 4.845 -7.665 2.360 490 HA GLN 75 HA GLN 75 5.207 -10.402 3.129 491 HB2 GLN 75 2HB GLN 75 3.304 -8.446 3.625 492 HB3 GLN 75 1HB GLN 75 2.452 -9.601 2.615 493 HG2 GLN 75 2HG GLN 75 2.246 -9.955 5.078 494 HG3 GLN 75 1HG GLN 75 2.804 -11.351 4.156 495 HE21 GLN 75 1HE2 GLN 75 4.603 -8.495 5.201 496 HE22 GLN 75 2HE2 GLN 75 5.739 -9.360 6.168 497 H LEU 76 H LEU 76 3.471 -8.792 0.480 498 HA LEU 76 HA LEU 76 3.566 -11.337 -0.998 499 HB2 LEU 76 2HB LEU 76 1.290 -9.531 -0.429 500 HB3 LEU 76 1HB LEU 76 1.365 -10.214 -2.040 501 HG LEU 76 HG LEU 76 0.058 -11.783 -1.009 502 HD11 LEU 76 1HD1 LEU 76 2.109 -13.372 0.126 503 HD12 LEU 76 2HD1 LEU 76 1.334 -13.541 -1.449 504 HD13 LEU 76 3HD1 LEU 76 2.780 -12.547 -1.280 505 HD21 LEU 76 3HD2 LEU 76 1.105 -10.609 1.370 506 HD22 LEU 76 1HD2 LEU 76 -0.348 -11.588 1.164 507 HD23 LEU 76 2HD2 LEU 76 1.197 -12.365 1.506 508 H GLY 77 H GLY 77 3.765 -7.847 -1.089 509 HA2 GLY 77 1HA GLY 77 4.779 -6.482 -2.658 510 HA3 GLY 77 2HA GLY 77 5.287 -7.929 -3.515 511 H LEU 78 H LEU 78 2.112 -6.614 -2.695 512 HA LEU 78 HA LEU 78 1.025 -7.348 -5.240 513 HB2 LEU 78 2HB LEU 78 -0.711 -5.532 -3.937 514 HB3 LEU 78 1HB LEU 78 -0.863 -7.273 -4.075 515 HG LEU 78 HG LEU 78 0.655 -7.391 -2.009 516 HD11 LEU 78 1HD1 LEU 78 1.411 -5.510 -1.137 517 HD12 LEU 78 2HD1 LEU 78 0.579 -4.582 -2.387 518 HD13 LEU 78 3HD1 LEU 78 -0.244 -4.961 -0.874 519 HD21 LEU 78 3HD2 LEU 78 -1.882 -6.117 -1.215 520 HD22 LEU 78 1HD2 LEU 78 -2.002 -7.497 -2.308 521 HD23 LEU 78 2HD2 LEU 78 -1.192 -7.674 -0.751 522 H LEU 79 H LEU 79 1.952 -6.226 -6.899 523 HA LEU 79 HA LEU 79 2.432 -3.408 -6.777 524 HB2 LEU 79 2HB LEU 79 2.814 -3.755 -9.307 525 HB3 LEU 79 1HB LEU 79 3.920 -4.509 -8.173 526 HG LEU 79 HG LEU 79 1.724 -6.290 -8.843 527 HD11 LEU 79 1HD1 LEU 79 3.026 -4.809 -11.017 528 HD12 LEU 79 2HD1 LEU 79 3.021 -6.564 -11.200 529 HD13 LEU 79 3HD1 LEU 79 1.501 -5.693 -10.995 530 HD21 LEU 79 3HD2 LEU 79 4.651 -6.310 -8.555 531 HD22 LEU 79 1HD2 LEU 79 3.450 -7.496 -8.044 532 HD23 LEU 79 2HD2 LEU 79 4.004 -7.467 -9.718 533 H ALA 80 H ALA 80 -0.411 -4.886 -6.833 534 HA ALA 80 HA ALA 80 -1.771 -3.381 -8.867 535 HB1 ALA 80 1HB ALA 80 -3.582 -4.633 -8.350 536 HB2 ALA 80 2HB ALA 80 -2.410 -5.629 -7.490 537 HB3 ALA 80 3HB ALA 80 -3.358 -4.426 -6.613 538 H LEU 81 H LEU 81 -0.855 -2.943 -5.547 539 HA LEU 81 HA LEU 81 -2.318 -0.386 -5.499 540 HB2 LEU 81 2HB LEU 81 -1.437 -1.788 -3.001 541 HB3 LEU 81 1HB LEU 81 -2.685 -0.576 -3.198 542 HG LEU 81 HG LEU 81 -2.932 -3.379 -4.283 543 HD11 LEU 81 1HD1 LEU 81 -4.184 -3.969 -2.359 544 HD12 LEU 81 2HD1 LEU 81 -2.666 -3.273 -1.789 545 HD13 LEU 81 3HD1 LEU 81 -4.146 -2.313 -1.751 546 HD21 LEU 81 3HD2 LEU 81 -5.403 -2.695 -4.098 547 HD22 LEU 81 1HD2 LEU 81 -4.795 -1.043 -3.994 548 HD23 LEU 81 2HD2 LEU 81 -4.455 -2.019 -5.424 549 H VAL 82 H VAL 82 0.671 -1.762 -5.761 550 HA VAL 82 HA VAL 82 1.977 0.616 -4.621 551 HB VAL 82 HB VAL 82 3.343 -2.035 -5.082 552 HG11 VAL 82 1HG1 VAL 82 5.148 -1.170 -3.911 553 HG12 VAL 82 2HG1 VAL 82 4.602 0.210 -4.862 554 HG13 VAL 82 3HG1 VAL 82 4.179 0.094 -3.154 555 HG21 VAL 82 3HG2 VAL 82 1.356 -1.677 -3.240 556 HG22 VAL 82 1HG2 VAL 82 2.656 -2.862 -3.127 557 HG23 VAL 82 2HG2 VAL 82 2.808 -1.307 -2.308 558 H ASP 83 H ASP 83 3.314 1.779 -5.906 559 HA ASP 83 HA ASP 83 3.932 0.694 -8.560 560 HB2 ASP 83 2HB ASP 83 1.964 2.415 -8.488 561 HB3 ASP 83 1HB ASP 83 3.250 3.605 -8.294 562 H HIS 84 H HIS 84 5.523 2.509 -9.642 563 HA HIS 84 HA HIS 84 7.566 3.115 -7.625 564 HB2 HIS 84 2HB HIS 84 7.816 0.817 -8.903 565 HB3 HIS 84 1HB HIS 84 8.440 1.851 -10.184 566 HD1 HIS 84 1HD HIS 84 10.448 3.571 -9.214 567 HD2 HIS 84 2HD HIS 84 9.735 -0.021 -7.237 568 HE1 HIS 84 1HE HIS 84 12.510 3.129 -7.847 569 HE2 HIS 84 2HE HIS 84 12.087 0.916 -6.702 570 H THR 85 H THR 85 7.403 5.295 -7.893 571 HA THR 85 HA THR 85 7.582 6.491 -10.512 572 HB THR 85 HB THR 85 6.288 7.573 -8.689 573 HG1 THR 85 1HG THR 85 6.821 9.550 -9.378 574 HG21 THR 85 3HG2 THR 85 7.142 7.811 -6.659 575 HG22 THR 85 1HG2 THR 85 8.422 8.843 -7.296 576 HG23 THR 85 2HG2 THR 85 8.653 7.097 -7.219 577 H GLU 86 H GLU 86 9.325 8.536 -10.284 578 HA GLU 86 HA GLU 86 11.865 7.198 -10.575 579 HB2 GLU 86 2HB GLU 86 11.405 10.174 -10.686 580 HB3 GLU 86 1HB GLU 86 12.656 9.237 -11.490 581 HG2 GLU 86 2HG GLU 86 9.791 8.749 -12.152 582 HG3 GLU 86 1HG GLU 86 10.621 10.147 -12.831 583 H GLU 87 H GLU 87 11.358 6.738 -8.073 584 HA GLU 87 HA GLU 87 13.365 8.174 -6.615 585 HB2 GLU 87 2HB GLU 87 10.694 9.092 -6.424 586 HB3 GLU 87 1HB GLU 87 11.044 8.250 -4.919 587 HG2 GLU 87 2HG GLU 87 13.284 9.739 -5.204 588 HG3 GLU 87 1HG GLU 87 12.086 10.785 -5.961 589 H GLY 88 H GLY 88 10.457 6.209 -5.997 590 HA2 GLY 88 1HA GLY 88 11.941 3.857 -5.411 591 HA3 GLY 88 2HA GLY 88 11.438 4.661 -3.931 592 HA PRO 89 HA PRO 89 7.886 1.969 -5.367 593 HB2 PRO 89 2HB PRO 89 7.735 0.481 -3.092 594 HB3 PRO 89 1HB PRO 89 8.710 0.011 -4.484 595 HG2 PRO 89 2HG PRO 89 9.561 1.293 -1.931 596 HG3 PRO 89 1HG PRO 89 10.368 0.031 -2.879 597 HD2 PRO 89 2HD PRO 89 11.102 2.661 -2.932 598 HD3 PRO 89 1HD PRO 89 11.340 1.553 -4.295 599 H VAL 90 H VAL 90 6.009 2.987 -5.052 600 HA VAL 90 HA VAL 90 5.562 4.363 -2.497 601 HB VAL 90 HB VAL 90 4.670 6.316 -3.922 602 HG11 VAL 90 1HG1 VAL 90 7.650 6.004 -4.035 603 HG12 VAL 90 2HG1 VAL 90 6.696 7.456 -3.730 604 HG13 VAL 90 3HG1 VAL 90 6.798 6.194 -2.503 605 HG21 VAL 90 3HG2 VAL 90 6.672 5.383 -5.948 606 HG22 VAL 90 1HG2 VAL 90 4.989 4.856 -6.042 607 HG23 VAL 90 2HG2 VAL 90 5.380 6.575 -6.115 608 H CYS 91 H CYS 91 3.308 5.624 -2.884 609 HA CYS 91 HA CYS 91 1.313 3.624 -3.046 610 HB2 CYS 91 2HB CYS 91 1.488 6.200 -2.033 611 HB3 CYS 91 1HB CYS 91 0.372 6.371 -3.380 612 H LYS 92 H LYS 92 0.129 2.956 -4.734 613 HA LYS 92 HA LYS 92 0.886 3.748 -7.367 614 HB2 LYS 92 2HB LYS 92 0.144 1.447 -6.710 615 HB3 LYS 92 1HB LYS 92 -1.481 2.085 -6.506 616 HG2 LYS 92 2HG LYS 92 -1.904 1.953 -8.683 617 HG3 LYS 92 1HG LYS 92 -0.381 2.743 -9.100 618 HD2 LYS 92 2HD LYS 92 0.770 0.581 -8.672 619 HD3 LYS 92 1HD LYS 92 -0.814 -0.171 -8.481 620 HE2 LYS 92 2HE LYS 92 -1.216 -0.172 -10.694 621 HE3 LYS 92 1HE LYS 92 -0.491 1.418 -10.927 622 HZ1 LYS 92 3HZ LYS 92 1.614 0.528 -11.148 623 HZ2 LYS 92 1HZ LYS 92 0.649 -0.625 -11.951 624 HZ3 LYS 92 2HZ LYS 92 1.201 -0.931 -10.381 625 H ASN 93 H ASN 93 -1.912 4.279 -5.291 626 HA ASN 93 HA ASN 93 -2.784 6.467 -6.983 627 HB2 ASN 93 2HB ASN 93 -4.096 3.829 -6.894 628 HB3 ASN 93 1HB ASN 93 -5.178 5.193 -6.662 629 HD21 ASN 93 1HD2 ASN 93 -4.690 3.215 -8.883 630 HD22 ASN 93 2HD2 ASN 93 -4.535 4.200 -10.296 631 H ILE 94 H ILE 94 -5.011 4.793 -4.903 632 HA ILE 94 HA ILE 94 -5.596 7.276 -3.611 633 HB ILE 94 HB ILE 94 -6.711 4.558 -2.931 634 HG12 ILE 94 2HG1 ILE 94 -8.073 6.385 -4.860 635 HG13 ILE 94 1HG1 ILE 94 -6.745 5.390 -5.450 636 HG21 ILE 94 1HG2 ILE 94 -8.701 6.479 -2.800 637 HG22 ILE 94 2HG2 ILE 94 -7.858 5.738 -1.441 638 HG23 ILE 94 3HG2 ILE 94 -7.283 7.268 -2.105 639 HD11 ILE 94 3HD1 ILE 94 -8.400 3.930 -5.854 640 HD12 ILE 94 1HD1 ILE 94 -8.189 3.529 -4.151 641 HD13 ILE 94 2HD1 ILE 94 -9.470 4.636 -4.644 642 H VAL 95 H VAL 95 -4.846 8.010 -1.760 643 HA VAL 95 HA VAL 95 -3.172 6.325 -0.078 644 HB VAL 95 HB VAL 95 -3.063 8.628 1.230 645 HG11 VAL 95 1HG1 VAL 95 -1.322 9.300 -0.686 646 HG12 VAL 95 2HG1 VAL 95 -1.031 7.994 0.461 647 HG13 VAL 95 3HG1 VAL 95 -1.628 7.627 -1.158 648 HG21 VAL 95 3HG2 VAL 95 -4.816 9.392 -0.707 649 HG22 VAL 95 1HG2 VAL 95 -3.765 10.492 0.186 650 HG23 VAL 95 2HG2 VAL 95 -3.280 9.907 -1.406 651 H ALA 96 H ALA 96 -3.729 5.595 1.913 652 HA ALA 96 HA ALA 96 -6.105 6.580 3.242 653 HB1 ALA 96 1HB ALA 96 -6.837 4.901 1.480 654 HB2 ALA 96 2HB ALA 96 -6.046 3.676 2.471 655 HB3 ALA 96 3HB ALA 96 -7.388 4.612 3.130 656 H CYS 97 H CYS 97 -6.506 5.406 5.314 657 HA CYS 97 HA CYS 97 -3.996 4.356 6.426 658 HB2 CYS 97 2HB CYS 97 -6.059 5.042 8.374 659 HB3 CYS 97 1HB CYS 97 -4.362 5.511 8.322 660 H CYS 98 H CYS 98 -3.966 2.340 7.324 661 HA CYS 98 HA CYS 98 -6.436 0.835 7.508 662 HB2 CYS 98 2HB CYS 98 -6.007 0.745 5.128 663 HB3 CYS 98 1HB CYS 98 -4.343 0.254 5.412 664 HA PRO 99 HA PRO 99 -3.823 -1.404 10.394 665 HB2 PRO 99 2HB PRO 99 -5.703 -3.142 11.228 666 HB3 PRO 99 1HB PRO 99 -5.736 -1.442 11.713 667 HG2 PRO 99 2HG PRO 99 -7.314 -2.825 9.586 668 HG3 PRO 99 1HG PRO 99 -7.854 -1.630 10.777 669 HD2 PRO 99 2HD PRO 99 -7.251 -1.014 8.184 670 HD3 PRO 99 1HD PRO 99 -7.107 0.136 9.528 671 H GLU 100 H GLU 100 -3.682 -3.982 10.783 672 HA GLU 100 HA GLU 100 -2.711 -4.952 8.271 673 HB2 GLU 100 2HB GLU 100 -1.695 -5.253 10.626 674 HB3 GLU 100 1HB GLU 100 -2.826 -6.588 10.781 675 HG2 GLU 100 2HG GLU 100 -1.751 -7.248 8.434 676 HG3 GLU 100 1HG GLU 100 -0.402 -6.332 9.113 677 H GLY 101 H GLY 101 -3.689 -7.694 9.865 678 HA2 GLY 101 1HA GLY 101 -5.692 -8.183 7.803 679 HA3 GLY 101 2HA GLY 101 -4.909 -9.394 8.806 680 H THR 102 H THR 102 -6.769 -6.467 9.561 681 HA THR 102 HA THR 102 -9.128 -7.841 10.315 682 HB THR 102 HB THR 102 -8.404 -6.634 12.809 683 HG1 THR 102 1HG THR 102 -6.586 -8.640 11.907 684 HG21 THR 102 3HG2 THR 102 -9.375 -8.495 13.682 685 HG22 THR 102 1HG2 THR 102 -8.561 -9.581 12.558 686 HG23 THR 102 2HG2 THR 102 -9.965 -8.652 12.026 687 H THR 103 H THR 103 -10.765 -6.459 10.395 688 HA THR 103 HA THR 103 -11.981 -4.562 10.435 689 HB THR 103 HB THR 103 -9.585 -2.984 11.354 690 HG1 THR 103 1HG THR 103 -10.041 -3.636 13.452 691 HG21 THR 103 3HG2 THR 103 -11.236 -1.431 11.173 692 HG22 THR 103 1HG2 THR 103 -11.690 -2.064 12.755 693 HG23 THR 103 2HG2 THR 103 -12.523 -2.630 11.308 694 H ASN 104 H ASN 104 -12.459 -2.838 9.150 695 HA ASN 104 HA ASN 104 -11.222 -2.932 6.584 696 HB2 ASN 104 2HB ASN 104 -12.943 -0.829 6.424 697 HB3 ASN 104 1HB ASN 104 -13.421 -2.512 6.219 698 HD21 ASN 104 1HD2 ASN 104 -13.544 0.275 8.265 699 HD22 ASN 104 2HD2 ASN 104 -14.653 -0.376 9.433 700 H CYS 105 H CYS 105 -10.585 -0.978 5.406 701 HA CYS 105 HA CYS 105 -9.023 0.813 7.148 702 HB2 CYS 105 2HB CYS 105 -8.464 0.603 4.235 703 HB3 CYS 105 1HB CYS 105 -7.350 0.805 5.581 704 H VAL 106 H VAL 106 -9.083 3.042 6.805 705 HA VAL 106 HA VAL 106 -11.406 3.943 5.263 706 HB VAL 106 HB VAL 106 -11.754 5.643 6.753 707 HG11 VAL 106 1HG1 VAL 106 -11.808 4.742 8.855 708 HG12 VAL 106 2HG1 VAL 106 -11.486 3.293 7.902 709 HG13 VAL 106 3HG1 VAL 106 -10.165 4.105 8.744 710 HG21 VAL 106 3HG2 VAL 106 -10.092 6.798 8.071 711 HG22 VAL 106 1HG2 VAL 106 -8.855 5.635 7.591 712 HG23 VAL 106 2HG2 VAL 106 -9.556 6.722 6.393 713 H ALA 107 H ALA 107 -11.249 5.426 3.664 714 HA ALA 107 HA ALA 107 -8.547 6.077 2.740 715 HB1 ALA 107 1HB ALA 107 -10.604 6.919 0.920 716 HB2 ALA 107 2HB ALA 107 -9.337 5.714 0.694 717 HB3 ALA 107 3HB ALA 107 -10.879 5.246 1.406 718 H VAL 108 H VAL 108 -7.752 8.043 3.025 719 HA VAL 108 HA VAL 108 -9.558 10.131 3.988 720 HB VAL 108 HB VAL 108 -7.206 11.276 4.401 721 HG11 VAL 108 1HG1 VAL 108 -8.038 9.047 6.234 722 HG12 VAL 108 2HG1 VAL 108 -7.361 10.623 6.649 723 HG13 VAL 108 3HG1 VAL 108 -9.010 10.506 6.035 724 HG21 VAL 108 3HG2 VAL 108 -5.920 8.981 5.254 725 HG22 VAL 108 1HG2 VAL 108 -6.538 8.551 3.659 726 HG23 VAL 108 2HG2 VAL 108 -5.493 9.958 3.850 727 H ASP 109 H ASP 109 -8.790 9.214 1.140 728 HA ASP 109 HA ASP 109 -8.566 11.959 0.114 729 HB2 ASP 109 2HB ASP 109 -6.532 10.754 -0.510 730 HB3 ASP 109 1HB ASP 109 -7.496 9.451 -1.205 731 H ASN 110 H ASN 110 -10.320 12.603 -0.783 732 HA ASN 110 HA ASN 110 -11.856 10.805 -2.488 733 HB2 ASN 110 2HB ASN 110 -13.986 11.527 -1.512 734 HB3 ASN 110 1HB ASN 110 -12.982 10.742 -0.294 735 HD21 ASN 110 1HD2 ASN 110 -12.008 12.008 1.324 736 HD22 ASN 110 2HD2 ASN 110 -12.612 13.585 1.713 737 H ALA 111 H ALA 111 -10.115 13.437 -2.250 738 HA ALA 111 HA ALA 111 -11.024 14.779 -4.525 739 HB1 ALA 111 1HB ALA 111 -12.389 15.554 -2.075 740 HB2 ALA 111 2HB ALA 111 -11.574 16.914 -2.848 741 HB3 ALA 111 3HB ALA 111 -12.755 15.965 -3.751 742 H GLY 112 H GLY 112 -8.634 13.905 -2.890 743 HA2 GLY 112 1HA GLY 112 -7.220 16.500 -2.791 744 HA3 GLY 112 2HA GLY 112 -6.756 15.070 -1.877 745 H ALA 113 H ALA 113 -7.528 13.601 -4.501 746 HA ALA 113 HA ALA 113 -6.609 12.874 -6.436 747 HB1 ALA 113 1HB ALA 113 -5.351 15.588 -6.297 748 HB2 ALA 113 2HB ALA 113 -4.860 14.434 -7.538 749 HB3 ALA 113 3HB ALA 113 -6.538 14.959 -7.440 750 H GLY 114 H GLY 114 -5.742 11.541 -4.402 751 HA2 GLY 114 1HA GLY 114 -2.909 11.595 -4.039 752 HA3 GLY 114 2HA GLY 114 -3.999 10.306 -3.549 753 H THR 115 H THR 115 -1.495 11.073 -5.515 754 HA THR 115 HA THR 115 -1.630 8.562 -6.897 755 HB THR 115 HB THR 115 -1.540 11.084 -8.578 756 HG1 THR 115 1HG THR 115 -3.645 9.625 -7.657 757 HG21 THR 115 3HG2 THR 115 -0.266 8.987 -9.318 758 HG22 THR 115 1HG2 THR 115 -1.396 9.701 -10.468 759 HG23 THR 115 2HG2 THR 115 -1.858 8.261 -9.557 760 H LYS 116 H LYS 116 0.347 7.971 -6.104 761 HA LYS 116 HA LYS 116 2.550 9.873 -6.409 762 HB2 LYS 116 2HB LYS 116 1.923 8.121 -4.338 763 HB3 LYS 116 1HB LYS 116 3.292 7.366 -5.146 764 HG2 LYS 116 2HG LYS 116 3.252 10.223 -4.195 765 HG3 LYS 116 1HG LYS 116 3.920 8.874 -3.277 766 HD2 LYS 116 2HD LYS 116 5.829 8.933 -4.437 767 HD3 LYS 116 1HD LYS 116 4.963 8.936 -5.975 768 HE2 LYS 116 2HE LYS 116 4.930 11.462 -4.442 769 HE3 LYS 116 1HE LYS 116 6.480 10.985 -5.119 770 HZ1 LYS 116 3HZ LYS 116 3.957 11.576 -6.548 771 HZ2 LYS 116 1HZ LYS 116 5.212 10.713 -7.300 772 HZ3 LYS 116 2HZ LYS 116 5.472 12.298 -6.747 773 H ALA 117 H ALA 117 1.148 7.537 -8.228 774 HA ALA 117 HA ALA 117 3.590 6.465 -9.362 775 HB1 ALA 117 1HB ALA 117 1.142 5.449 -9.343 776 HB2 ALA 117 2HB ALA 117 1.000 6.379 -10.835 777 HB3 ALA 117 3HB ALA 117 2.251 5.146 -10.681 778 H GLU 118 H GLU 118 4.526 8.542 -9.580 779 HA GLU 118 HA GLU 118 5.038 9.792 -11.807 780 HB2 GLU 118 2HB GLU 118 2.331 10.033 -11.834 781 HB3 GLU 118 1HB GLU 118 2.758 11.506 -10.971 782 HG2 GLU 118 2HG GLU 118 3.107 12.466 -12.934 783 HG3 GLU 118 1HG GLU 118 4.499 11.407 -13.144 Start of MODEL 7 1 H1 SER 1 1H SER 1 -1.672 -14.379 -11.331 2 H2 SER 1 2H SER 1 -3.302 -14.704 -11.673 3 H3 SER 1 3H SER 1 -2.418 -13.653 -12.666 4 HA SER 1 HA SER 1 -2.731 -16.395 -12.928 5 HB2 SER 1 2HB SER 1 -0.750 -15.226 -14.676 6 HB3 SER 1 1HB SER 1 -2.407 -15.713 -15.045 7 HG SER 1 HG SER 1 -1.751 -13.353 -15.232 8 H LEU 2 H LEU 2 0.320 -15.855 -14.116 9 HA LEU 2 HA LEU 2 1.581 -17.081 -11.757 10 HB2 LEU 2 2HB LEU 2 1.798 -17.737 -14.660 11 HB3 LEU 2 1HB LEU 2 3.215 -17.952 -13.650 12 HG LEU 2 HG LEU 2 0.564 -19.357 -13.439 13 HD11 LEU 2 1HD1 LEU 2 2.176 -20.252 -15.025 14 HD12 LEU 2 2HD1 LEU 2 3.388 -20.348 -13.749 15 HD13 LEU 2 3HD1 LEU 2 1.939 -21.348 -13.663 16 HD21 LEU 2 3HD2 LEU 2 2.706 -20.010 -11.518 17 HD22 LEU 2 1HD2 LEU 2 1.824 -18.509 -11.231 18 HD23 LEU 2 2HD2 LEU 2 0.953 -20.040 -11.324 19 HA PRO 3 HA PRO 3 4.133 -13.484 -11.809 20 HB2 PRO 3 2HB PRO 3 6.004 -14.982 -10.128 21 HB3 PRO 3 1HB PRO 3 5.015 -13.579 -9.721 22 HG2 PRO 3 2HG PRO 3 4.519 -16.040 -8.723 23 HG3 PRO 3 1HG PRO 3 3.232 -14.864 -9.045 24 HD2 PRO 3 2HD PRO 3 4.089 -17.226 -10.671 25 HD3 PRO 3 1HD PRO 3 2.452 -16.635 -10.321 26 H ALA 4 H ALA 4 6.373 -12.844 -12.227 27 HA ALA 4 HA ALA 4 7.698 -14.687 -14.094 28 HB1 ALA 4 1HB ALA 4 7.612 -12.961 -15.500 29 HB2 ALA 4 2HB ALA 4 7.062 -11.870 -14.229 30 HB3 ALA 4 3HB ALA 4 8.786 -12.150 -14.468 31 H SER 5 H SER 5 10.145 -13.174 -14.164 32 HA SER 5 HA SER 5 11.313 -14.172 -11.688 33 HB2 SER 5 2HB SER 5 13.422 -13.283 -13.185 34 HB3 SER 5 1HB SER 5 12.752 -14.913 -13.280 35 HG SER 5 HG SER 5 11.710 -14.415 -15.116 36 H ALA 6 H ALA 6 11.671 -11.240 -13.692 37 HA ALA 6 HA ALA 6 12.897 -9.824 -11.501 38 HB1 ALA 6 1HB ALA 6 12.839 -9.586 -14.330 39 HB2 ALA 6 2HB ALA 6 12.289 -8.060 -13.631 40 HB3 ALA 6 3HB ALA 6 13.854 -8.728 -13.169 41 H ALA 7 H ALA 7 10.613 -10.381 -10.428 42 HA ALA 7 HA ALA 7 8.987 -7.931 -10.670 43 HB1 ALA 7 1HB ALA 7 7.918 -10.201 -11.283 44 HB2 ALA 7 2HB ALA 7 7.914 -10.495 -9.545 45 HB3 ALA 7 3HB ALA 7 7.032 -9.119 -10.209 46 H LYS 8 H LYS 8 10.398 -6.898 -9.163 47 HA LYS 8 HA LYS 8 9.800 -7.497 -6.388 48 HB2 LYS 8 2HB LYS 8 12.272 -8.308 -7.635 49 HB3 LYS 8 1HB LYS 8 12.586 -7.111 -6.385 50 HG2 LYS 8 2HG LYS 8 10.835 -8.763 -5.122 51 HG3 LYS 8 1HG LYS 8 11.715 -9.891 -6.157 52 HD2 LYS 8 2HD LYS 8 13.774 -8.456 -5.203 53 HD3 LYS 8 1HD LYS 8 12.650 -8.299 -3.849 54 HE2 LYS 8 2HE LYS 8 12.368 -10.850 -4.087 55 HE3 LYS 8 1HE LYS 8 13.858 -10.772 -5.025 56 HZ1 LYS 8 3HZ LYS 8 13.869 -11.149 -2.437 57 HZ2 LYS 8 1HZ LYS 8 13.827 -9.453 -2.416 58 HZ3 LYS 8 2HZ LYS 8 15.090 -10.259 -3.211 59 H ASN 9 H ASN 9 9.140 -5.336 -8.089 60 HA ASN 9 HA ASN 9 10.954 -3.159 -7.509 61 HB2 ASN 9 2HB ASN 9 9.185 -1.791 -8.710 62 HB3 ASN 9 1HB ASN 9 9.955 -3.060 -9.660 63 HD21 ASN 9 1HD2 ASN 9 7.037 -1.949 -8.203 64 HD22 ASN 9 2HD2 ASN 9 5.988 -3.134 -8.897 65 H ALA 10 H ALA 10 10.043 -4.270 -5.161 66 HA ALA 10 HA ALA 10 8.257 -2.167 -4.120 67 HB1 ALA 10 1HB ALA 10 8.359 -4.811 -2.766 68 HB2 ALA 10 2HB ALA 10 7.034 -3.657 -2.896 69 HB3 ALA 10 3HB ALA 10 7.446 -4.683 -4.268 70 H LYS 11 H LYS 11 8.948 -1.105 -2.344 71 HA LYS 11 HA LYS 11 11.243 -2.150 -0.858 72 HB2 LYS 11 2HB LYS 11 11.092 0.511 -2.252 73 HB3 LYS 11 1HB LYS 11 12.134 0.273 -0.854 74 HG2 LYS 11 2HG LYS 11 13.540 -1.165 -1.975 75 HG3 LYS 11 1HG LYS 11 12.314 -1.603 -3.168 76 HD2 LYS 11 2HD LYS 11 12.498 0.962 -3.774 77 HD3 LYS 11 1HD LYS 11 14.101 0.776 -3.056 78 HE2 LYS 11 2HE LYS 11 13.572 -1.424 -4.817 79 HE3 LYS 11 1HE LYS 11 13.275 0.091 -5.665 80 HZ1 LYS 11 3HZ LYS 11 15.603 0.582 -4.392 81 HZ2 LYS 11 1HZ LYS 11 15.463 0.072 -6.005 82 HZ3 LYS 11 2HZ LYS 11 15.758 -1.057 -4.782 83 H LEU 12 H LEU 12 9.406 0.885 -0.963 84 HA LEU 12 HA LEU 12 7.937 1.860 0.453 85 HB2 LEU 12 2HB LEU 12 7.488 -0.803 0.957 86 HB3 LEU 12 1HB LEU 12 7.883 -0.179 2.548 87 HG LEU 12 HG LEU 12 5.464 -0.173 2.136 88 HD11 LEU 12 1HD1 LEU 12 6.911 2.417 2.508 89 HD12 LEU 12 2HD1 LEU 12 5.145 2.363 2.514 90 HD13 LEU 12 3HD1 LEU 12 6.061 1.429 3.698 91 HD21 LEU 12 3HD2 LEU 12 4.536 0.534 0.244 92 HD22 LEU 12 1HD2 LEU 12 5.389 2.077 0.329 93 HD23 LEU 12 2HD2 LEU 12 6.168 0.678 -0.411 94 H ALA 13 H ALA 13 10.396 0.033 2.283 95 HA ALA 13 HA ALA 13 10.553 1.868 4.419 96 HB1 ALA 13 1HB ALA 13 12.899 0.775 4.673 97 HB2 ALA 13 2HB ALA 13 11.449 -0.197 4.924 98 HB3 ALA 13 3HB ALA 13 12.335 -0.307 3.401 99 H THR 14 H THR 14 12.149 1.715 1.316 100 HA THR 14 HA THR 14 13.949 3.897 1.944 101 HB THR 14 HB THR 14 13.992 3.253 -0.829 102 HG1 THR 14 1HG THR 14 14.351 0.904 0.718 103 HG21 THR 14 3HG2 THR 14 15.743 3.362 1.466 104 HG22 THR 14 1HG2 THR 14 16.118 3.601 -0.242 105 HG23 THR 14 2HG2 THR 14 16.129 1.974 0.444 106 H SER 15 H SER 15 10.774 3.680 1.013 107 HA SER 15 HA SER 15 10.773 5.805 -0.942 108 HB2 SER 15 2HB SER 15 8.360 4.662 0.464 109 HB3 SER 15 1HB SER 15 8.433 5.444 -1.113 110 HG SER 15 HG SER 15 8.405 3.378 -1.653 111 H ALA 16 H ALA 16 11.598 7.619 0.128 112 HA ALA 16 HA ALA 16 10.523 8.566 2.603 113 HB1 ALA 16 1HB ALA 16 11.897 10.441 2.338 114 HB2 ALA 16 2HB ALA 16 12.794 9.146 1.546 115 HB3 ALA 16 3HB ALA 16 11.890 10.311 0.579 116 H ALA 17 H ALA 17 9.824 9.001 -0.782 117 HA ALA 17 HA ALA 17 7.993 11.139 -0.532 118 HB1 ALA 17 1HB ALA 17 9.130 9.821 -2.608 119 HB2 ALA 17 2HB ALA 17 7.478 9.203 -2.673 120 HB3 ALA 17 3HB ALA 17 7.772 10.940 -2.752 121 H PHE 18 H PHE 18 7.640 7.656 -0.152 122 HA PHE 18 HA PHE 18 4.783 7.715 -0.003 123 HB2 PHE 18 2HB PHE 18 6.295 5.679 -0.472 124 HB3 PHE 18 1HB PHE 18 6.518 5.610 1.271 125 HD1 PHE 18 2HD PHE 18 4.145 5.146 -1.476 126 HD2 PHE 18 1HD PHE 18 4.722 4.958 2.737 127 HE1 PHE 18 2HE PHE 18 2.056 3.868 -1.253 128 HE2 PHE 18 1HE PHE 18 2.631 3.678 2.964 129 HZ PHE 18 HZ PHE 18 1.293 3.136 0.976 130 H ALA 19 H ALA 19 7.435 7.928 2.309 131 HA ALA 19 HA ALA 19 5.822 8.035 4.645 132 HB1 ALA 19 1HB ALA 19 7.874 9.240 5.584 133 HB2 ALA 19 2HB ALA 19 8.077 7.582 5.024 134 HB3 ALA 19 3HB ALA 19 8.612 8.926 4.015 135 H LYS 20 H LYS 20 6.815 10.395 2.268 136 HA LYS 20 HA LYS 20 5.932 12.724 3.616 137 HB2 LYS 20 2HB LYS 20 7.183 12.171 1.212 138 HB3 LYS 20 1HB LYS 20 5.596 12.731 0.702 139 HG2 LYS 20 2HG LYS 20 6.020 14.725 2.262 140 HG3 LYS 20 1HG LYS 20 7.707 14.200 2.236 141 HD2 LYS 20 2HD LYS 20 7.179 14.143 -0.395 142 HD3 LYS 20 1HD LYS 20 6.054 15.411 0.096 143 HE2 LYS 20 2HE LYS 20 8.152 16.331 1.378 144 HE3 LYS 20 1HE LYS 20 9.034 15.355 0.203 145 HZ1 LYS 20 3HZ LYS 20 6.952 17.279 -0.657 146 HZ2 LYS 20 1HZ LYS 20 8.222 16.614 -1.563 147 HZ3 LYS 20 2HZ LYS 20 8.554 17.776 -0.379 148 H GLN 21 H GLN 21 4.450 10.381 1.508 149 HA GLN 21 HA GLN 21 1.909 11.510 1.231 150 HB2 GLN 21 2HB GLN 21 3.239 9.098 0.545 151 HB3 GLN 21 1HB GLN 21 1.747 8.654 1.358 152 HG2 GLN 21 2HG GLN 21 0.456 9.398 -0.335 153 HG3 GLN 21 1HG GLN 21 1.516 10.766 -0.668 154 HE21 GLN 21 1HE2 GLN 21 1.299 10.342 -2.893 155 HE22 GLN 21 2HE2 GLN 21 2.177 9.062 -3.650 156 H ALA 22 H ALA 22 3.348 9.577 3.776 157 HA ALA 22 HA ALA 22 0.900 9.045 5.157 158 HB1 ALA 22 1HB ALA 22 3.418 7.987 5.253 159 HB2 ALA 22 2HB ALA 22 3.353 8.922 6.748 160 HB3 ALA 22 3HB ALA 22 2.141 7.681 6.430 161 H GLU 23 H GLU 23 2.819 11.800 4.886 162 HA GLU 23 HA GLU 23 1.832 12.830 7.458 163 HB2 GLU 23 2HB GLU 23 4.400 12.909 6.303 164 HB3 GLU 23 1HB GLU 23 3.779 14.555 6.251 165 HG2 GLU 23 2HG GLU 23 3.123 13.583 8.782 166 HG3 GLU 23 1HG GLU 23 4.780 13.060 8.482 167 H GLY 24 H GLY 24 2.102 13.495 4.008 168 HA2 GLY 24 1HA GLY 24 0.794 16.006 4.002 169 HA3 GLY 24 2HA GLY 24 0.892 14.890 2.643 170 H THR 25 H THR 25 -0.359 12.703 3.942 171 HA THR 25 HA THR 25 -3.084 13.735 4.344 172 HB THR 25 HB THR 25 -3.312 11.031 3.652 173 HG1 THR 25 1HG THR 25 -1.172 11.135 2.789 174 HG21 THR 25 3HG2 THR 25 -3.643 13.317 1.723 175 HG22 THR 25 1HG2 THR 25 -4.749 13.059 3.072 176 HG23 THR 25 2HG2 THR 25 -4.579 11.824 1.824 177 H THR 26 H THR 26 -4.107 13.140 6.189 178 HA THR 26 HA THR 26 -2.415 12.289 8.291 179 HB THR 26 HB THR 26 -5.406 12.593 8.481 180 HG1 THR 26 1HG THR 26 -3.383 14.474 8.059 181 HG21 THR 26 3HG2 THR 26 -3.243 12.192 10.364 182 HG22 THR 26 1HG2 THR 26 -4.989 12.183 10.645 183 HG23 THR 26 2HG2 THR 26 -4.090 13.701 10.690 184 H CYS 27 H CYS 27 -1.750 10.246 8.128 185 HA CYS 27 HA CYS 27 -3.673 8.204 8.936 186 HB2 CYS 27 2HB CYS 27 -1.778 7.937 6.588 187 HB3 CYS 27 1HB CYS 27 -2.523 6.555 7.384 188 H ASN 28 H ASN 28 -2.089 6.077 9.331 189 HA ASN 28 HA ASN 28 -0.030 7.158 11.124 190 HB2 ASN 28 2HB ASN 28 -1.750 5.770 12.202 191 HB3 ASN 28 1HB ASN 28 -1.350 4.431 11.129 192 HD21 ASN 28 1HD2 ASN 28 -0.778 3.053 12.765 193 HD22 ASN 28 2HD2 ASN 28 0.661 3.265 13.717 194 H VAL 29 H VAL 29 2.042 6.184 11.213 195 HA VAL 29 HA VAL 29 3.082 5.617 8.631 196 HB VAL 29 HB VAL 29 4.134 6.425 11.135 197 HG11 VAL 29 1HG1 VAL 29 6.347 4.987 10.765 198 HG12 VAL 29 2HG1 VAL 29 5.069 4.493 11.873 199 HG13 VAL 29 3HG1 VAL 29 5.155 3.787 10.263 200 HG21 VAL 29 3HG2 VAL 29 6.157 6.884 9.711 201 HG22 VAL 29 1HG2 VAL 29 5.286 6.122 8.381 202 HG23 VAL 29 2HG2 VAL 29 4.638 7.575 9.140 203 H GLY 30 H GLY 30 2.190 3.645 11.402 204 HA2 GLY 30 1HA GLY 30 3.289 1.218 10.278 205 HA3 GLY 30 2HA GLY 30 2.246 1.336 11.690 206 H SER 31 H SER 31 0.054 2.537 10.787 207 HA SER 31 HA SER 31 -1.133 0.513 9.097 208 HB2 SER 31 2HB SER 31 -2.946 2.626 9.824 209 HB3 SER 31 1HB SER 31 -2.941 0.942 10.347 210 HG SER 31 HG SER 31 -2.703 2.431 12.105 211 H ILE 32 H ILE 32 0.570 1.744 7.483 212 HA ILE 32 HA ILE 32 -0.984 3.774 6.031 213 HB ILE 32 HB ILE 32 1.344 4.358 6.861 214 HG12 ILE 32 2HG1 ILE 32 1.905 5.606 4.816 215 HG13 ILE 32 1HG1 ILE 32 0.777 4.611 3.902 216 HG21 ILE 32 1HG2 ILE 32 1.999 2.044 5.300 217 HG22 ILE 32 2HG2 ILE 32 2.864 3.459 4.698 218 HG23 ILE 32 3HG2 ILE 32 3.015 2.988 6.391 219 HD11 ILE 32 3HD1 ILE 32 -1.020 5.733 4.660 220 HD12 ILE 32 1HD1 ILE 32 -0.323 5.975 6.263 221 HD13 ILE 32 2HD1 ILE 32 0.170 7.012 4.923 222 H ALA 33 H ALA 33 -1.462 3.509 3.867 223 HA ALA 33 HA ALA 33 -0.491 1.142 2.495 224 HB1 ALA 33 1HB ALA 33 -2.805 0.374 1.991 225 HB2 ALA 33 2HB ALA 33 -2.323 0.185 3.678 226 HB3 ALA 33 3HB ALA 33 -3.389 1.511 3.208 227 H CYS 34 H CYS 34 -1.780 0.957 0.330 228 HA CYS 34 HA CYS 34 -2.547 3.596 -0.696 229 HB2 CYS 34 2HB CYS 34 -0.251 3.014 -1.494 230 HB3 CYS 34 1HB CYS 34 -0.908 1.553 -2.220 231 H CYS 35 H CYS 35 -4.419 3.552 -1.841 232 HA CYS 35 HA CYS 35 -5.657 0.910 -2.209 233 HB2 CYS 35 2HB CYS 35 -6.871 3.649 -1.847 234 HB3 CYS 35 1HB CYS 35 -7.805 2.239 -2.332 235 H ASN 36 H ASN 36 -6.612 0.379 -4.155 236 HA ASN 36 HA ASN 36 -6.309 2.245 -6.388 237 HB2 ASN 36 2HB ASN 36 -4.287 0.911 -6.473 238 HB3 ASN 36 1HB ASN 36 -5.207 -0.579 -6.300 239 HD21 ASN 36 1HD2 ASN 36 -5.715 -1.626 -8.083 240 HD22 ASN 36 2HD2 ASN 36 -5.675 -0.972 -9.684 241 H SER 37 H SER 37 -7.725 1.825 -8.113 242 HA SER 37 HA SER 37 -10.296 1.175 -7.615 243 HB2 SER 37 2HB SER 37 -9.507 0.344 -10.305 244 HB3 SER 37 1HB SER 37 -10.565 1.660 -9.795 245 HG SER 37 HG SER 37 -8.068 1.817 -10.672 246 HA PRO 38 HA PRO 38 -10.687 -3.001 -6.606 247 HB2 PRO 38 2HB PRO 38 -13.214 -3.507 -7.580 248 HB3 PRO 38 1HB PRO 38 -12.867 -2.668 -6.066 249 HG2 PRO 38 2HG PRO 38 -13.537 -1.538 -8.750 250 HG3 PRO 38 1HG PRO 38 -14.096 -1.026 -7.146 251 HD2 PRO 38 2HD PRO 38 -12.175 0.312 -8.451 252 HD3 PRO 38 1HD PRO 38 -12.130 0.109 -6.689 253 H ALA 39 H ALA 39 -11.605 -2.288 -9.974 254 HA ALA 39 HA ALA 39 -11.691 -5.010 -10.760 255 HB1 ALA 39 1HB ALA 39 -11.502 -2.456 -12.342 256 HB2 ALA 39 2HB ALA 39 -11.639 -4.049 -13.086 257 HB3 ALA 39 3HB ALA 39 -12.927 -3.451 -12.044 258 H GLU 40 H GLU 40 -9.132 -2.818 -10.303 259 HA GLU 40 HA GLU 40 -7.287 -4.401 -11.925 260 HB2 GLU 40 2HB GLU 40 -7.069 -1.698 -10.604 261 HB3 GLU 40 1HB GLU 40 -5.693 -2.506 -11.341 262 HG2 GLU 40 2HG GLU 40 -6.472 -1.005 -12.945 263 HG3 GLU 40 1HG GLU 40 -7.050 -2.581 -13.473 264 H THR 41 H THR 41 -7.836 -3.239 -8.650 265 HA THR 41 HA THR 41 -5.618 -4.470 -7.415 266 HB THR 41 HB THR 41 -8.326 -3.661 -6.344 267 HG1 THR 41 1HG THR 41 -7.395 -1.766 -6.056 268 HG21 THR 41 3HG2 THR 41 -7.810 -4.329 -4.257 269 HG22 THR 41 1HG2 THR 41 -6.102 -3.911 -4.437 270 HG23 THR 41 2HG2 THR 41 -6.705 -5.443 -5.074 271 H ASN 42 H ASN 42 -8.814 -5.595 -8.263 272 HA ASN 42 HA ASN 42 -8.318 -8.206 -7.000 273 HB2 ASN 42 2HB ASN 42 -10.675 -6.548 -7.420 274 HB3 ASN 42 1HB ASN 42 -10.912 -8.203 -7.958 275 HD21 ASN 42 1HD2 ASN 42 -9.539 -6.411 -5.247 276 HD22 ASN 42 2HD2 ASN 42 -10.151 -7.456 -4.013 277 H ASN 43 H ASN 43 -7.377 -7.052 -9.651 278 HA ASN 43 HA ASN 43 -8.742 -8.195 -11.816 279 HB2 ASN 43 2HB ASN 43 -6.830 -6.412 -11.719 280 HB3 ASN 43 1HB ASN 43 -5.771 -7.811 -11.873 281 HD21 ASN 43 1HD2 ASN 43 -8.480 -6.142 -13.376 282 HD22 ASN 43 2HD2 ASN 43 -8.106 -6.620 -15.001 283 H ASP 44 H ASP 44 -6.537 -9.596 -9.566 284 HA ASP 44 HA ASP 44 -6.465 -12.059 -11.177 285 HB2 ASP 44 2HB ASP 44 -4.236 -11.105 -11.094 286 HB3 ASP 44 1HB ASP 44 -4.350 -10.918 -9.345 287 H SER 45 H SER 45 -7.112 -13.905 -10.183 288 HA SER 45 HA SER 45 -8.590 -13.818 -7.818 289 HB2 SER 45 2HB SER 45 -7.389 -16.419 -8.564 290 HB3 SER 45 1HB SER 45 -9.078 -15.992 -8.280 291 HG SER 45 HG SER 45 -9.302 -15.361 -10.326 292 H LEU 46 H LEU 46 -5.194 -14.585 -8.366 293 HA LEU 46 HA LEU 46 -4.740 -15.445 -5.663 294 HB2 LEU 46 2HB LEU 46 -3.374 -16.155 -7.661 295 HB3 LEU 46 1HB LEU 46 -2.681 -14.543 -7.674 296 HG LEU 46 HG LEU 46 -2.231 -15.272 -5.092 297 HD11 LEU 46 1HD1 LEU 46 -1.271 -17.731 -6.292 298 HD12 LEU 46 2HD1 LEU 46 -2.128 -17.473 -4.771 299 HD13 LEU 46 3HD1 LEU 46 -3.032 -17.638 -6.278 300 HD21 LEU 46 3HD2 LEU 46 -0.206 -16.193 -7.031 301 HD22 LEU 46 1HD2 LEU 46 -0.739 -14.521 -7.196 302 HD23 LEU 46 2HD2 LEU 46 -0.056 -15.082 -5.670 303 H LEU 47 H LEU 47 -4.224 -12.510 -7.537 304 HA LEU 47 HA LEU 47 -2.968 -10.912 -5.645 305 HB2 LEU 47 2HB LEU 47 -4.031 -10.557 -8.183 306 HB3 LEU 47 1HB LEU 47 -4.979 -9.464 -7.186 307 HG LEU 47 HG LEU 47 -2.937 -8.348 -6.438 308 HD11 LEU 47 1HD1 LEU 47 -0.828 -9.065 -6.828 309 HD12 LEU 47 2HD1 LEU 47 -1.629 -10.633 -6.934 310 HD13 LEU 47 3HD1 LEU 47 -1.233 -9.744 -8.405 311 HD21 LEU 47 3HD2 LEU 47 -2.121 -7.812 -8.949 312 HD22 LEU 47 1HD2 LEU 47 -3.685 -8.560 -9.277 313 HD23 LEU 47 2HD2 LEU 47 -3.584 -7.145 -8.228 314 H SER 48 H SER 48 -6.418 -11.505 -6.156 315 HA SER 48 HA SER 48 -7.361 -9.695 -4.228 316 HB2 SER 48 2HB SER 48 -8.687 -12.236 -5.166 317 HB3 SER 48 1HB SER 48 -9.476 -10.830 -4.451 318 HG SER 48 HG SER 48 -9.627 -10.127 -6.406 319 H GLY 49 H GLY 49 -5.666 -12.587 -3.761 320 HA2 GLY 49 1HA GLY 49 -6.691 -12.797 -0.993 321 HA3 GLY 49 2HA GLY 49 -5.826 -14.075 -1.840 322 H LEU 50 H LEU 50 -4.298 -11.400 -2.762 323 HA LEU 50 HA LEU 50 -2.081 -11.937 -0.991 324 HB2 LEU 50 2HB LEU 50 -2.406 -11.063 -3.652 325 HB3 LEU 50 1HB LEU 50 -1.632 -9.745 -2.794 326 HG LEU 50 HG LEU 50 -0.028 -11.661 -1.948 327 HD11 LEU 50 1HD1 LEU 50 -1.242 -12.784 -4.456 328 HD12 LEU 50 2HD1 LEU 50 0.352 -13.257 -3.870 329 HD13 LEU 50 3HD1 LEU 50 -1.076 -13.556 -2.879 330 HD21 LEU 50 3HD2 LEU 50 0.258 -10.710 -4.783 331 HD22 LEU 50 1HD2 LEU 50 0.443 -9.627 -3.404 332 HD23 LEU 50 2HD2 LEU 50 1.522 -11.010 -3.591 333 H LEU 51 H LEU 51 -4.545 -9.521 -1.368 334 HA LEU 51 HA LEU 51 -3.074 -7.463 -0.012 335 HB2 LEU 51 2HB LEU 51 -5.304 -6.254 0.039 336 HB3 LEU 51 1HB LEU 51 -4.587 -6.570 -1.521 337 HG LEU 51 HG LEU 51 -7.185 -6.895 -0.986 338 HD11 LEU 51 1HD1 LEU 51 -6.497 -8.939 -2.853 339 HD12 LEU 51 2HD1 LEU 51 -7.163 -7.331 -3.143 340 HD13 LEU 51 3HD1 LEU 51 -5.416 -7.562 -3.059 341 HD21 LEU 51 3HD2 LEU 51 -7.508 -8.653 0.370 342 HD22 LEU 51 1HD2 LEU 51 -7.271 -9.589 -1.105 343 HD23 LEU 51 2HD2 LEU 51 -5.929 -9.357 0.014 344 H GLY 52 H GLY 52 -4.263 -10.203 1.173 345 HA2 GLY 52 1HA GLY 52 -4.534 -9.043 3.839 346 HA3 GLY 52 2HA GLY 52 -5.873 -10.014 3.248 347 H ALA 53 H ALA 53 -2.492 -10.053 4.183 348 HA ALA 53 HA ALA 53 -2.204 -12.898 3.957 349 HB1 ALA 53 1HB ALA 53 -0.299 -11.670 5.752 350 HB2 ALA 53 2HB ALA 53 -0.034 -12.440 4.189 351 HB3 ALA 53 3HB ALA 53 -0.466 -10.732 4.268 352 H GLY 54 H GLY 54 -4.455 -12.663 5.314 353 HA2 GLY 54 1HA GLY 54 -4.178 -14.140 7.628 354 HA3 GLY 54 2HA GLY 54 -4.217 -12.459 8.144 355 H LEU 55 H LEU 55 -6.126 -11.394 8.209 356 HA LEU 55 HA LEU 55 -8.408 -12.395 6.713 357 HB2 LEU 55 2HB LEU 55 -8.085 -12.805 9.570 358 HB3 LEU 55 1HB LEU 55 -9.518 -11.859 9.217 359 HG LEU 55 HG LEU 55 -9.015 -14.421 7.747 360 HD11 LEU 55 1HD1 LEU 55 -8.864 -15.284 9.892 361 HD12 LEU 55 2HD1 LEU 55 -9.971 -14.085 10.560 362 HD13 LEU 55 3HD1 LEU 55 -10.591 -15.395 9.557 363 HD21 LEU 55 3HD2 LEU 55 -11.010 -12.448 7.712 364 HD22 LEU 55 1HD2 LEU 55 -11.027 -14.013 6.901 365 HD23 LEU 55 2HD2 LEU 55 -11.719 -13.851 8.513 366 H LEU 56 H LEU 56 -7.064 -10.188 6.126 367 HA LEU 56 HA LEU 56 -8.186 -7.916 7.531 368 HB2 LEU 56 2HB LEU 56 -5.828 -8.400 6.001 369 HB3 LEU 56 1HB LEU 56 -6.716 -7.085 5.244 370 HG LEU 56 HG LEU 56 -6.346 -6.966 8.192 371 HD11 LEU 56 1HD1 LEU 56 -4.138 -7.389 7.917 372 HD12 LEU 56 2HD1 LEU 56 -4.145 -6.910 6.218 373 HD13 LEU 56 3HD1 LEU 56 -4.135 -5.679 7.480 374 HD21 LEU 56 3HD2 LEU 56 -6.285 -4.937 5.967 375 HD22 LEU 56 1HD2 LEU 56 -7.626 -5.253 7.064 376 HD23 LEU 56 2HD2 LEU 56 -6.124 -4.570 7.683 377 H ASN 57 H ASN 57 -8.602 -6.020 5.802 378 HA ASN 57 HA ASN 57 -10.503 -6.985 3.818 379 HB2 ASN 57 2HB ASN 57 -11.275 -5.990 6.367 380 HB3 ASN 57 1HB ASN 57 -11.691 -4.769 5.175 381 HD21 ASN 57 1HD2 ASN 57 -13.350 -6.605 6.791 382 HD22 ASN 57 2HD2 ASN 57 -14.351 -7.430 5.650 383 H GLY 58 H GLY 58 -11.606 -4.709 3.011 384 HA2 GLY 58 1HA GLY 58 -9.234 -3.209 2.078 385 HA3 GLY 58 2HA GLY 58 -10.618 -3.569 1.055 386 H LEU 59 H LEU 59 -11.908 -1.897 0.726 387 HA LEU 59 HA LEU 59 -11.719 0.526 2.160 388 HB2 LEU 59 2HB LEU 59 -12.737 -0.203 -0.242 389 HB3 LEU 59 1HB LEU 59 -14.216 -0.032 0.678 390 HG LEU 59 HG LEU 59 -13.089 1.978 -0.697 391 HD11 LEU 59 1HD1 LEU 59 -15.302 1.865 0.467 392 HD12 LEU 59 2HD1 LEU 59 -14.486 2.415 1.929 393 HD13 LEU 59 3HD1 LEU 59 -14.524 3.446 0.497 394 HD21 LEU 59 3HD2 LEU 59 -11.758 3.397 0.574 395 HD22 LEU 59 1HD2 LEU 59 -12.186 2.600 2.090 396 HD23 LEU 59 2HD2 LEU 59 -11.107 1.797 0.947 397 H SER 60 H SER 60 -12.959 1.402 3.733 398 HA SER 60 HA SER 60 -14.133 -0.312 5.612 399 HB2 SER 60 2HB SER 60 -14.330 2.701 5.343 400 HB3 SER 60 1HB SER 60 -14.796 1.784 6.770 401 HG SER 60 HG SER 60 -12.200 1.713 5.643 402 H GLY 61 H GLY 61 -15.754 -1.517 4.583 403 HA2 GLY 61 1HA GLY 61 -18.174 -1.656 4.870 404 HA3 GLY 61 2HA GLY 61 -18.274 -0.013 4.256 405 H ASN 62 H ASN 62 -16.401 -0.440 2.082 406 HA ASN 62 HA ASN 62 -18.329 -1.648 0.264 407 HB2 ASN 62 2HB ASN 62 -17.273 0.647 -0.116 408 HB3 ASN 62 1HB ASN 62 -15.796 -0.215 -0.531 409 HD21 ASN 62 1HD2 ASN 62 -15.539 -0.340 -2.642 410 HD22 ASN 62 2HD2 ASN 62 -16.797 -0.571 -3.807 411 H THR 63 H THR 63 -18.110 -3.798 0.203 412 HA THR 63 HA THR 63 -15.569 -5.109 0.295 413 HB THR 63 HB THR 63 -17.665 -6.776 -0.763 414 HG1 THR 63 1HG THR 63 -19.273 -6.386 0.656 415 HG21 THR 63 3HG2 THR 63 -16.790 -6.919 2.072 416 HG22 THR 63 1HG2 THR 63 -15.563 -7.140 0.826 417 HG23 THR 63 2HG2 THR 63 -16.967 -8.205 0.877 418 H GLY 64 H GLY 64 -14.346 -4.398 -1.411 419 HA2 GLY 64 1HA GLY 64 -14.367 -5.845 -3.762 420 HA3 GLY 64 2HA GLY 64 -15.229 -4.350 -4.121 421 H SER 65 H SER 65 -13.954 -2.409 -2.924 422 HA SER 65 HA SER 65 -11.388 -2.265 -4.174 423 HB2 SER 65 2HB SER 65 -11.921 -0.206 -2.186 424 HB3 SER 65 1HB SER 65 -11.693 -0.042 -3.927 425 HG SER 65 HG SER 65 -13.754 0.582 -3.563 426 H ALA 66 H ALA 66 -9.794 -3.458 -3.301 427 HA ALA 66 HA ALA 66 -9.525 -3.490 -0.376 428 HB1 ALA 66 1HB ALA 66 -8.248 -5.506 -0.606 429 HB2 ALA 66 2HB ALA 66 -9.741 -5.686 -1.526 430 HB3 ALA 66 3HB ALA 66 -8.226 -5.347 -2.361 431 H CYS 67 H CYS 67 -7.374 -3.251 0.522 432 HA CYS 67 HA CYS 67 -5.507 -1.857 -1.270 433 HB2 CYS 67 2HB CYS 67 -6.102 -0.790 1.487 434 HB3 CYS 67 1HB CYS 67 -5.257 0.005 0.164 435 H ALA 68 H ALA 68 -3.335 -2.016 -0.669 436 HA ALA 68 HA ALA 68 -2.848 -4.144 1.294 437 HB1 ALA 68 1HB ALA 68 -1.969 -3.851 -1.356 438 HB2 ALA 68 2HB ALA 68 -0.552 -3.621 -0.327 439 HB3 ALA 68 3HB ALA 68 -1.511 -5.096 -0.192 440 H LYS 69 H LYS 69 -1.677 -3.785 3.016 441 HA LYS 69 HA LYS 69 -0.838 -1.083 3.612 442 HB2 LYS 69 2HB LYS 69 -0.134 -2.625 5.784 443 HB3 LYS 69 1HB LYS 69 -1.671 -1.795 5.591 444 HG2 LYS 69 2HG LYS 69 -1.546 -4.439 4.324 445 HG3 LYS 69 1HG LYS 69 -1.386 -4.456 6.080 446 HD2 LYS 69 2HD LYS 69 -3.556 -4.011 6.368 447 HD3 LYS 69 1HD LYS 69 -3.514 -2.684 5.206 448 HE2 LYS 69 2HE LYS 69 -3.468 -4.633 3.449 449 HE3 LYS 69 1HE LYS 69 -4.141 -5.573 4.778 450 HZ1 LYS 69 3HZ LYS 69 -5.430 -3.699 3.087 451 HZ2 LYS 69 1HZ LYS 69 -5.596 -3.226 4.705 452 HZ3 LYS 69 2HZ LYS 69 -6.112 -4.759 4.214 453 H ALA 70 H ALA 70 1.332 -0.713 4.616 454 HA ALA 70 HA ALA 70 3.365 -1.448 2.855 455 HB1 ALA 70 1HB ALA 70 3.464 0.526 4.291 456 HB2 ALA 70 2HB ALA 70 3.688 -0.510 5.701 457 HB3 ALA 70 3HB ALA 70 4.916 -0.466 4.433 458 H SER 71 H SER 71 2.389 -2.920 5.900 459 HA SER 71 HA SER 71 4.566 -4.688 6.189 460 HB2 SER 71 2HB SER 71 2.218 -5.873 7.259 461 HB3 SER 71 1HB SER 71 3.463 -4.977 8.128 462 HG SER 71 HG SER 71 1.672 -3.807 8.501 463 H LEU 72 H LEU 72 1.633 -4.759 4.320 464 HA LEU 72 HA LEU 72 1.833 -7.542 3.609 465 HB2 LEU 72 2HB LEU 72 -0.094 -5.443 3.362 466 HB3 LEU 72 1HB LEU 72 0.189 -6.141 1.777 467 HG LEU 72 HG LEU 72 -1.589 -7.361 2.636 468 HD11 LEU 72 1HD1 LEU 72 0.758 -9.040 3.449 469 HD12 LEU 72 2HD1 LEU 72 -0.781 -9.572 2.771 470 HD13 LEU 72 3HD1 LEU 72 0.370 -8.689 1.768 471 HD21 LEU 72 3HD2 LEU 72 -1.758 -8.202 4.872 472 HD22 LEU 72 1HD2 LEU 72 -0.094 -7.739 5.223 473 HD23 LEU 72 2HD2 LEU 72 -1.320 -6.497 4.972 474 H ILE 73 H ILE 73 2.714 -4.449 2.255 475 HA ILE 73 HA ILE 73 3.422 -5.384 -0.307 476 HB ILE 73 HB ILE 73 4.413 -2.959 1.211 477 HG12 ILE 73 2HG1 ILE 73 2.493 -2.933 -1.098 478 HG13 ILE 73 1HG1 ILE 73 1.909 -3.299 0.523 479 HG21 ILE 73 1HG2 ILE 73 4.780 -2.252 -1.331 480 HG22 ILE 73 2HG2 ILE 73 6.034 -3.054 -0.383 481 HG23 ILE 73 3HG2 ILE 73 5.036 -3.989 -1.498 482 HD11 ILE 73 3HD1 ILE 73 3.584 -0.915 0.375 483 HD12 ILE 73 1HD1 ILE 73 2.091 -0.815 -0.560 484 HD13 ILE 73 2HD1 ILE 73 2.029 -1.171 1.167 485 H ASP 74 H ASP 74 5.096 -5.144 2.747 486 HA ASP 74 HA ASP 74 7.648 -6.018 1.809 487 HB2 ASP 74 2HB ASP 74 7.688 -4.825 3.832 488 HB3 ASP 74 1HB ASP 74 6.338 -5.732 4.501 489 H GLN 75 H GLN 75 4.808 -7.608 3.167 490 HA GLN 75 HA GLN 75 6.096 -10.141 3.520 491 HB2 GLN 75 2HB GLN 75 3.798 -8.942 4.469 492 HB3 GLN 75 1HB GLN 75 3.180 -10.189 3.396 493 HG2 GLN 75 2HG GLN 75 3.277 -11.279 5.412 494 HG3 GLN 75 1HG GLN 75 4.805 -11.748 4.668 495 HE21 GLN 75 1HE2 GLN 75 5.444 -8.720 5.290 496 HE22 GLN 75 2HE2 GLN 75 6.050 -8.822 6.896 497 H LEU 76 H LEU 76 3.554 -9.022 1.243 498 HA LEU 76 HA LEU 76 4.047 -11.504 -0.263 499 HB2 LEU 76 2HB LEU 76 1.614 -10.043 0.476 500 HB3 LEU 76 1HB LEU 76 1.655 -10.564 -1.198 501 HG LEU 76 HG LEU 76 1.805 -12.858 -0.590 502 HD11 LEU 76 1HD1 LEU 76 3.085 -11.900 1.731 503 HD12 LEU 76 2HD1 LEU 76 1.656 -12.788 2.260 504 HD13 LEU 76 3HD1 LEU 76 2.847 -13.576 1.227 505 HD21 LEU 76 3HD2 LEU 76 -0.221 -13.211 0.615 506 HD22 LEU 76 1HD2 LEU 76 -0.111 -11.624 1.373 507 HD23 LEU 76 2HD2 LEU 76 -0.417 -11.753 -0.359 508 H GLY 77 H GLY 77 3.819 -8.017 -0.498 509 HA2 GLY 77 1HA GLY 77 5.043 -6.723 -2.015 510 HA3 GLY 77 2HA GLY 77 5.447 -8.185 -2.897 511 H LEU 78 H LEU 78 2.360 -6.632 -2.085 512 HA LEU 78 HA LEU 78 1.202 -7.205 -4.607 513 HB2 LEU 78 2HB LEU 78 0.395 -5.276 -2.437 514 HB3 LEU 78 1HB LEU 78 -0.582 -5.629 -3.852 515 HG LEU 78 HG LEU 78 -0.164 -8.128 -2.918 516 HD11 LEU 78 1HD1 LEU 78 0.902 -6.685 -0.905 517 HD12 LEU 78 2HD1 LEU 78 -0.774 -6.796 -0.367 518 HD13 LEU 78 3HD1 LEU 78 0.147 -8.266 -0.696 519 HD21 LEU 78 3HD2 LEU 78 -2.265 -6.634 -3.457 520 HD22 LEU 78 1HD2 LEU 78 -2.409 -8.118 -2.516 521 HD23 LEU 78 2HD2 LEU 78 -2.369 -6.557 -1.697 522 H LEU 79 H LEU 79 1.973 -6.347 -6.407 523 HA LEU 79 HA LEU 79 2.907 -3.599 -6.455 524 HB2 LEU 79 2HB LEU 79 3.086 -4.444 -9.033 525 HB3 LEU 79 1HB LEU 79 4.350 -4.630 -7.833 526 HG LEU 79 HG LEU 79 2.992 -6.895 -7.357 527 HD11 LEU 79 1HD1 LEU 79 2.456 -6.206 -10.236 528 HD12 LEU 79 2HD1 LEU 79 2.425 -7.857 -9.619 529 HD13 LEU 79 3HD1 LEU 79 1.293 -6.662 -8.992 530 HD21 LEU 79 3HD2 LEU 79 5.420 -6.186 -8.448 531 HD22 LEU 79 1HD2 LEU 79 4.914 -7.816 -8.012 532 HD23 LEU 79 2HD2 LEU 79 4.716 -7.241 -9.667 533 H ALA 80 H ALA 80 -0.014 -4.667 -6.330 534 HA ALA 80 HA ALA 80 -1.246 -3.758 -8.741 535 HB1 ALA 80 1HB ALA 80 -2.121 -5.500 -7.057 536 HB2 ALA 80 2HB ALA 80 -2.705 -4.109 -6.139 537 HB3 ALA 80 3HB ALA 80 -3.280 -4.387 -7.786 538 H LEU 81 H LEU 81 -0.313 -2.249 -5.763 539 HA LEU 81 HA LEU 81 -1.831 0.162 -6.514 540 HB2 LEU 81 2HB LEU 81 -1.321 0.506 -3.862 541 HB3 LEU 81 1HB LEU 81 -2.828 -0.091 -4.535 542 HG LEU 81 HG LEU 81 -0.939 -2.252 -4.182 543 HD11 LEU 81 1HD1 LEU 81 0.049 -1.521 -2.298 544 HD12 LEU 81 2HD1 LEU 81 -1.166 -0.274 -2.021 545 HD13 LEU 81 3HD1 LEU 81 -1.488 -1.941 -1.536 546 HD21 LEU 81 3HD2 LEU 81 -2.810 -3.360 -3.463 547 HD22 LEU 81 1HD2 LEU 81 -3.459 -1.950 -2.627 548 HD23 LEU 81 2HD2 LEU 81 -3.563 -2.058 -4.384 549 H VAL 82 H VAL 82 1.123 -0.943 -6.778 550 HA VAL 82 HA VAL 82 2.443 1.461 -5.721 551 HB VAL 82 HB VAL 82 3.824 -1.010 -6.783 552 HG11 VAL 82 1HG1 VAL 82 4.994 0.812 -4.749 553 HG12 VAL 82 2HG1 VAL 82 5.782 -0.128 -6.016 554 HG13 VAL 82 3HG1 VAL 82 4.926 1.358 -6.426 555 HG21 VAL 82 3HG2 VAL 82 2.274 -0.883 -4.457 556 HG22 VAL 82 1HG2 VAL 82 3.435 -2.132 -4.907 557 HG23 VAL 82 2HG2 VAL 82 3.950 -0.765 -3.921 558 H ASP 83 H ASP 83 3.458 2.882 -7.061 559 HA ASP 83 HA ASP 83 3.124 2.351 -9.939 560 HB2 ASP 83 2HB ASP 83 1.662 4.161 -8.820 561 HB3 ASP 83 1HB ASP 83 3.133 5.124 -8.766 562 H HIS 84 H HIS 84 4.504 3.739 -11.317 563 HA HIS 84 HA HIS 84 7.228 3.283 -10.914 564 HB2 HIS 84 2HB HIS 84 7.590 4.687 -12.860 565 HB3 HIS 84 1HB HIS 84 6.129 3.741 -13.120 566 HD1 HIS 84 1HD HIS 84 7.365 7.217 -12.808 567 HD2 HIS 84 2HD HIS 84 3.708 5.252 -12.998 568 HE1 HIS 84 1HE HIS 84 5.638 9.021 -13.133 569 HE2 HIS 84 2HE HIS 84 3.431 7.814 -13.081 570 H THR 85 H THR 85 8.963 4.688 -10.346 571 HA THR 85 HA THR 85 8.318 7.263 -9.180 572 HB THR 85 HB THR 85 7.739 5.700 -7.392 573 HG1 THR 85 1HG THR 85 8.870 6.739 -5.816 574 HG21 THR 85 3HG2 THR 85 10.611 4.813 -7.588 575 HG22 THR 85 1HG2 THR 85 9.196 3.865 -8.044 576 HG23 THR 85 2HG2 THR 85 9.454 4.306 -6.355 577 H GLU 86 H GLU 86 10.144 8.525 -8.649 578 HA GLU 86 HA GLU 86 12.718 7.497 -9.662 579 HB2 GLU 86 2HB GLU 86 12.867 10.301 -9.336 580 HB3 GLU 86 1HB GLU 86 12.854 9.397 -10.839 581 HG2 GLU 86 2HG GLU 86 11.166 11.005 -11.044 582 HG3 GLU 86 1HG GLU 86 10.330 9.487 -10.718 583 H GLU 87 H GLU 87 11.037 7.945 -6.944 584 HA GLU 87 HA GLU 87 13.400 8.640 -5.325 585 HB2 GLU 87 2HB GLU 87 11.149 10.039 -5.280 586 HB3 GLU 87 1HB GLU 87 10.631 8.741 -4.213 587 HG2 GLU 87 2HG GLU 87 13.218 10.114 -3.674 588 HG3 GLU 87 1HG GLU 87 11.704 10.911 -3.251 589 H GLY 88 H GLY 88 10.420 7.258 -4.160 590 HA2 GLY 88 1HA GLY 88 11.559 4.556 -4.171 591 HA3 GLY 88 2HA GLY 88 10.970 5.228 -2.651 592 HA PRO 89 HA PRO 89 7.654 3.097 -5.620 593 HB2 PRO 89 2HB PRO 89 7.578 1.442 -3.125 594 HB3 PRO 89 1HB PRO 89 7.271 0.961 -4.798 595 HG2 PRO 89 2HG PRO 89 9.589 0.383 -3.628 596 HG3 PRO 89 1HG PRO 89 9.531 0.891 -5.328 597 HD2 PRO 89 2HD PRO 89 10.435 2.401 -2.929 598 HD3 PRO 89 1HD PRO 89 10.982 2.527 -4.612 599 H VAL 90 H VAL 90 5.848 4.281 -5.500 600 HA VAL 90 HA VAL 90 4.933 5.220 -2.860 601 HB VAL 90 HB VAL 90 4.016 7.213 -4.244 602 HG11 VAL 90 1HG1 VAL 90 6.545 6.692 -2.975 603 HG12 VAL 90 2HG1 VAL 90 6.723 7.896 -4.252 604 HG13 VAL 90 3HG1 VAL 90 5.558 8.156 -2.956 605 HG21 VAL 90 3HG2 VAL 90 4.483 6.287 -6.457 606 HG22 VAL 90 1HG2 VAL 90 5.367 7.792 -6.211 607 HG23 VAL 90 2HG2 VAL 90 6.207 6.247 -6.089 608 H CYS 91 H CYS 91 2.639 6.258 -3.189 609 HA CYS 91 HA CYS 91 0.840 4.166 -3.797 610 HB2 CYS 91 2HB CYS 91 0.594 6.167 -2.161 611 HB3 CYS 91 1HB CYS 91 0.039 7.056 -3.574 612 H LYS 92 H LYS 92 -0.221 3.675 -5.606 613 HA LYS 92 HA LYS 92 0.532 4.953 -8.061 614 HB2 LYS 92 2HB LYS 92 0.189 2.484 -7.738 615 HB3 LYS 92 1HB LYS 92 -1.536 2.798 -7.633 616 HG2 LYS 92 2HG LYS 92 -1.754 3.010 -9.850 617 HG3 LYS 92 1HG LYS 92 -0.261 3.943 -10.003 618 HD2 LYS 92 2HD LYS 92 1.050 1.902 -9.841 619 HD3 LYS 92 1HD LYS 92 -0.425 0.957 -9.632 620 HE2 LYS 92 2HE LYS 92 -0.502 0.731 -11.847 621 HE3 LYS 92 1HE LYS 92 -0.828 2.459 -11.956 622 HZ1 LYS 92 3HZ LYS 92 1.046 1.950 -13.319 623 HZ2 LYS 92 1HZ LYS 92 1.825 1.129 -12.056 624 HZ3 LYS 92 2HZ LYS 92 1.619 2.808 -11.971 625 H ASN 93 H ASN 93 -2.215 5.092 -5.919 626 HA ASN 93 HA ASN 93 -3.541 6.956 -7.712 627 HB2 ASN 93 2HB ASN 93 -4.309 4.183 -7.527 628 HB3 ASN 93 1HB ASN 93 -5.619 5.210 -6.948 629 HD21 ASN 93 1HD2 ASN 93 -3.970 4.001 -9.656 630 HD22 ASN 93 2HD2 ASN 93 -4.814 4.895 -10.864 631 H ILE 94 H ILE 94 -5.055 5.045 -5.159 632 HA ILE 94 HA ILE 94 -5.931 7.580 -3.992 633 HB ILE 94 HB ILE 94 -6.998 4.765 -3.808 634 HG12 ILE 94 2HG1 ILE 94 -8.777 6.935 -4.630 635 HG13 ILE 94 1HG1 ILE 94 -7.387 6.738 -5.694 636 HG21 ILE 94 1HG2 ILE 94 -7.169 6.168 -1.655 637 HG22 ILE 94 2HG2 ILE 94 -8.363 7.107 -2.551 638 HG23 ILE 94 3HG2 ILE 94 -8.624 5.384 -2.280 639 HD11 ILE 94 3HD1 ILE 94 -8.428 4.163 -5.154 640 HD12 ILE 94 1HD1 ILE 94 -9.775 5.218 -5.583 641 HD13 ILE 94 2HD1 ILE 94 -8.405 5.044 -6.682 642 H VAL 95 H VAL 95 -5.085 8.293 -2.154 643 HA VAL 95 HA VAL 95 -3.339 6.607 -0.580 644 HB VAL 95 HB VAL 95 -3.342 8.836 0.876 645 HG11 VAL 95 1HG1 VAL 95 -1.785 9.536 -1.371 646 HG12 VAL 95 2HG1 VAL 95 -1.262 8.754 0.121 647 HG13 VAL 95 3HG1 VAL 95 -1.774 7.777 -1.254 648 HG21 VAL 95 3HG2 VAL 95 -4.707 9.575 -1.639 649 HG22 VAL 95 1HG2 VAL 95 -4.804 10.305 -0.035 650 HG23 VAL 95 2HG2 VAL 95 -3.435 10.667 -1.088 651 H ALA 96 H ALA 96 -3.843 5.606 1.265 652 HA ALA 96 HA ALA 96 -6.048 6.484 2.914 653 HB1 ALA 96 1HB ALA 96 -6.194 4.035 1.218 654 HB2 ALA 96 2HB ALA 96 -6.953 4.028 2.809 655 HB3 ALA 96 3HB ALA 96 -7.446 5.215 1.602 656 H CYS 97 H CYS 97 -6.283 4.919 4.845 657 HA CYS 97 HA CYS 97 -3.600 3.944 5.562 658 HB2 CYS 97 2HB CYS 97 -5.216 4.418 7.885 659 HB3 CYS 97 1HB CYS 97 -3.674 5.141 7.439 660 H CYS 98 H CYS 98 -3.394 1.866 5.964 661 HA CYS 98 HA CYS 98 -5.823 0.253 6.431 662 HB2 CYS 98 2HB CYS 98 -3.355 -0.237 4.817 663 HB3 CYS 98 1HB CYS 98 -4.149 -1.604 5.585 664 HA PRO 99 HA PRO 99 -3.639 -0.789 10.244 665 HB2 PRO 99 2HB PRO 99 -5.682 -2.137 11.383 666 HB3 PRO 99 1HB PRO 99 -5.630 -0.373 11.341 667 HG2 PRO 99 2HG PRO 99 -7.146 -2.265 9.593 668 HG3 PRO 99 1HG PRO 99 -7.677 -0.732 10.310 669 HD2 PRO 99 2HD PRO 99 -6.854 -0.980 7.718 670 HD3 PRO 99 1HD PRO 99 -6.704 0.521 8.654 671 H GLU 100 H GLU 100 -2.424 -2.574 10.654 672 HA GLU 100 HA GLU 100 -2.705 -4.922 9.040 673 HB2 GLU 100 2HB GLU 100 -0.616 -3.747 10.421 674 HB3 GLU 100 1HB GLU 100 -0.978 -5.165 11.396 675 HG2 GLU 100 2HG GLU 100 -0.968 -5.956 8.677 676 HG3 GLU 100 1HG GLU 100 0.485 -5.002 8.981 677 H GLY 101 H GLY 101 -3.455 -6.917 9.637 678 HA2 GLY 101 1HA GLY 101 -4.006 -8.455 11.475 679 HA3 GLY 101 2HA GLY 101 -4.726 -7.082 12.294 680 H THR 102 H THR 102 -6.744 -6.282 11.580 681 HA THR 102 HA THR 102 -8.195 -7.961 9.668 682 HB THR 102 HB THR 102 -10.087 -7.741 11.605 683 HG1 THR 102 1HG THR 102 -7.552 -7.902 12.865 684 HG21 THR 102 3HG2 THR 102 -8.069 -9.927 11.139 685 HG22 THR 102 1HG2 THR 102 -9.711 -9.812 10.509 686 HG23 THR 102 2HG2 THR 102 -9.446 -10.123 12.225 687 H THR 103 H THR 103 -10.558 -7.100 9.589 688 HA THR 103 HA THR 103 -12.066 -5.504 9.153 689 HB THR 103 HB THR 103 -10.748 -3.362 10.722 690 HG1 THR 103 1HG THR 103 -11.879 -4.917 12.524 691 HG21 THR 103 3HG2 THR 103 -13.354 -4.107 9.886 692 HG22 THR 103 1HG2 THR 103 -12.869 -2.675 10.792 693 HG23 THR 103 2HG2 THR 103 -13.327 -4.148 11.647 694 H ASN 104 H ASN 104 -11.764 -2.660 8.923 695 HA ASN 104 HA ASN 104 -10.931 -2.925 6.129 696 HB2 ASN 104 2HB ASN 104 -12.878 -1.079 7.510 697 HB3 ASN 104 1HB ASN 104 -12.449 -0.930 5.810 698 HD21 ASN 104 1HD2 ASN 104 -14.844 -1.850 7.630 699 HD22 ASN 104 2HD2 ASN 104 -15.455 -3.202 6.750 700 H CYS 105 H CYS 105 -10.392 -0.845 5.044 701 HA CYS 105 HA CYS 105 -8.535 0.767 6.676 702 HB2 CYS 105 2HB CYS 105 -8.603 0.487 3.673 703 HB3 CYS 105 1HB CYS 105 -7.331 1.211 4.650 704 H VAL 106 H VAL 106 -8.751 2.988 6.659 705 HA VAL 106 HA VAL 106 -11.183 4.048 5.453 706 HB VAL 106 HB VAL 106 -11.229 5.693 7.045 707 HG11 VAL 106 1HG1 VAL 106 -10.649 4.804 9.188 708 HG12 VAL 106 2HG1 VAL 106 -11.163 3.469 8.156 709 HG13 VAL 106 3HG1 VAL 106 -9.449 3.731 8.469 710 HG21 VAL 106 3HG2 VAL 106 -9.423 7.049 6.836 711 HG22 VAL 106 1HG2 VAL 106 -8.932 6.216 8.314 712 HG23 VAL 106 2HG2 VAL 106 -8.285 5.703 6.753 713 H ALA 107 H ALA 107 -11.201 5.745 4.008 714 HA ALA 107 HA ALA 107 -8.623 6.333 2.725 715 HB1 ALA 107 1HB ALA 107 -10.662 7.279 1.071 716 HB2 ALA 107 2HB ALA 107 -9.697 5.824 0.840 717 HB3 ALA 107 3HB ALA 107 -11.246 5.733 1.678 718 H VAL 108 H VAL 108 -7.784 8.234 3.219 719 HA VAL 108 HA VAL 108 -9.481 10.237 4.446 720 HB VAL 108 HB VAL 108 -7.312 9.467 5.478 721 HG11 VAL 108 1HG1 VAL 108 -5.568 11.263 4.177 722 HG12 VAL 108 2HG1 VAL 108 -5.460 9.503 4.271 723 HG13 VAL 108 3HG1 VAL 108 -6.324 10.266 2.935 724 HG21 VAL 108 3HG2 VAL 108 -8.507 11.556 6.097 725 HG22 VAL 108 1HG2 VAL 108 -6.764 11.621 6.358 726 HG23 VAL 108 2HG2 VAL 108 -7.478 12.427 4.961 727 H ASP 109 H ASP 109 -8.616 9.540 1.444 728 HA ASP 109 HA ASP 109 -9.301 12.203 0.539 729 HB2 ASP 109 2HB ASP 109 -6.827 12.251 0.513 730 HB3 ASP 109 1HB ASP 109 -6.818 10.831 -0.530 731 H ASN 110 H ASN 110 -10.244 12.234 -1.487 732 HA ASN 110 HA ASN 110 -10.933 9.572 -2.551 733 HB2 ASN 110 2HB ASN 110 -12.647 11.950 -1.925 734 HB3 ASN 110 1HB ASN 110 -13.108 10.884 -3.247 735 HD21 ASN 110 1HD2 ASN 110 -12.248 10.891 0.185 736 HD22 ASN 110 2HD2 ASN 110 -13.257 9.549 0.611 737 H ALA 111 H ALA 111 -8.994 11.909 -3.245 738 HA ALA 111 HA ALA 111 -9.874 12.244 -6.033 739 HB1 ALA 111 1HB ALA 111 -9.222 14.400 -6.050 740 HB2 ALA 111 2HB ALA 111 -9.546 14.257 -4.325 741 HB3 ALA 111 3HB ALA 111 -7.893 14.125 -4.923 742 H GLY 112 H GLY 112 -6.860 12.318 -4.126 743 HA2 GLY 112 1HA GLY 112 -4.811 11.327 -4.627 744 HA3 GLY 112 2HA GLY 112 -5.530 10.632 -6.075 745 H ALA 113 H ALA 113 -4.374 13.677 -4.685 746 HA ALA 113 HA ALA 113 -4.411 15.030 -7.222 747 HB1 ALA 113 1HB ALA 113 -4.797 16.549 -5.565 748 HB2 ALA 113 2HB ALA 113 -3.693 15.762 -4.435 749 HB3 ALA 113 3HB ALA 113 -3.054 16.751 -5.748 750 H GLY 114 H GLY 114 -3.041 13.772 -8.529 751 HA2 GLY 114 1HA GLY 114 -1.008 13.875 -9.690 752 HA3 GLY 114 2HA GLY 114 -0.252 14.554 -8.259 753 H THR 115 H THR 115 1.466 13.048 -8.692 754 HA THR 115 HA THR 115 0.847 10.262 -8.002 755 HB THR 115 HB THR 115 3.333 9.968 -8.709 756 HG1 THR 115 1HG THR 115 2.755 12.399 -10.104 757 HG21 THR 115 3HG2 THR 115 2.541 10.186 -11.211 758 HG22 THR 115 1HG2 THR 115 0.968 10.454 -10.461 759 HG23 THR 115 2HG2 THR 115 1.850 8.959 -10.147 760 H LYS 116 H LYS 116 3.830 12.082 -7.538 761 HA LYS 116 HA LYS 116 3.508 12.138 -4.650 762 HB2 LYS 116 2HB LYS 116 5.753 11.053 -4.307 763 HB3 LYS 116 1HB LYS 116 4.500 9.962 -4.880 764 HG2 LYS 116 2HG LYS 116 5.600 9.508 -6.773 765 HG3 LYS 116 1HG LYS 116 6.047 11.193 -7.029 766 HD2 LYS 116 2HD LYS 116 7.391 9.476 -4.958 767 HD3 LYS 116 1HD LYS 116 7.946 9.542 -6.633 768 HE2 LYS 116 2HE LYS 116 7.573 12.017 -4.969 769 HE3 LYS 116 1HE LYS 116 9.080 11.102 -4.953 770 HZ1 LYS 116 3HZ LYS 116 9.225 11.430 -7.372 771 HZ2 LYS 116 1HZ LYS 116 9.219 12.901 -6.521 772 HZ3 LYS 116 2HZ LYS 116 7.819 12.379 -7.322 773 H ALA 117 H ALA 117 3.824 13.955 -7.016 774 HA ALA 117 HA ALA 117 6.353 15.270 -6.291 775 HB1 ALA 117 1HB ALA 117 5.534 14.446 -8.770 776 HB2 ALA 117 2HB ALA 117 5.109 16.160 -8.774 777 HB3 ALA 117 3HB ALA 117 6.770 15.664 -8.450 778 H GLU 118 H GLU 118 6.126 16.979 -5.058 779 HA GLU 118 HA GLU 118 3.958 18.868 -5.642 780 HB2 GLU 118 2HB GLU 118 4.651 19.097 -2.888 781 HB3 GLU 118 1HB GLU 118 3.100 18.659 -3.586 782 HG2 GLU 118 2HG GLU 118 3.344 16.490 -3.083 783 HG3 GLU 118 1HG GLU 118 5.054 16.476 -3.514 Start of MODEL 8 1 H1 SER 1 1H SER 1 18.520 20.539 14.426 2 H2 SER 1 2H SER 1 18.534 19.953 16.013 3 H3 SER 1 3H SER 1 17.064 20.127 15.190 4 HA SER 1 HA SER 1 17.260 18.218 14.106 5 HB2 SER 1 2HB SER 1 20.186 17.980 13.959 6 HB3 SER 1 1HB SER 1 18.979 17.862 12.678 7 HG SER 1 HG SER 1 20.503 20.009 13.479 8 H LEU 2 H LEU 2 16.750 16.581 15.362 9 HA LEU 2 HA LEU 2 18.569 15.009 16.783 10 HB2 LEU 2 2HB LEU 2 18.101 17.263 18.235 11 HB3 LEU 2 1HB LEU 2 16.819 16.227 18.830 12 HG LEU 2 HG LEU 2 19.077 16.281 20.093 13 HD11 LEU 2 1HD1 LEU 2 18.317 13.486 19.470 14 HD12 LEU 2 2HD1 LEU 2 18.546 14.281 21.027 15 HD13 LEU 2 3HD1 LEU 2 17.068 14.554 20.107 16 HD21 LEU 2 3HD2 LEU 2 19.786 14.376 17.866 17 HD22 LEU 2 1HD2 LEU 2 20.497 15.970 18.113 18 HD23 LEU 2 2HD2 LEU 2 20.742 14.699 19.312 19 HA PRO 3 HA PRO 3 14.830 12.671 15.927 20 HB2 PRO 3 2HB PRO 3 16.490 10.408 16.819 21 HB3 PRO 3 1HB PRO 3 15.702 10.672 15.262 22 HG2 PRO 3 2HG PRO 3 18.361 10.841 15.523 23 HG3 PRO 3 1HG PRO 3 17.465 11.916 14.431 24 HD2 PRO 3 2HD PRO 3 18.524 12.469 17.183 25 HD3 PRO 3 1HD PRO 3 18.588 13.489 15.729 26 H ALA 4 H ALA 4 13.748 13.564 17.779 27 HA ALA 4 HA ALA 4 14.021 12.088 20.284 28 HB1 ALA 4 1HB ALA 4 12.674 14.637 19.489 29 HB2 ALA 4 2HB ALA 4 12.172 13.800 20.959 30 HB3 ALA 4 3HB ALA 4 13.843 14.340 20.777 31 H SER 5 H SER 5 11.913 11.472 21.375 32 HA SER 5 HA SER 5 10.483 9.666 19.739 33 HB2 SER 5 2HB SER 5 9.256 10.479 22.303 34 HB3 SER 5 1HB SER 5 9.665 8.872 21.703 35 HG SER 5 HG SER 5 11.210 9.065 23.130 36 H ALA 6 H ALA 6 8.170 9.637 19.403 37 HA ALA 6 HA ALA 6 6.212 10.468 18.639 38 HB1 ALA 6 1HB ALA 6 5.659 12.901 19.481 39 HB2 ALA 6 2HB ALA 6 5.581 11.515 20.568 40 HB3 ALA 6 3HB ALA 6 6.992 12.576 20.589 41 H ALA 7 H ALA 7 7.581 10.378 16.648 42 HA ALA 7 HA ALA 7 7.394 12.959 15.291 43 HB1 ALA 7 1HB ALA 7 9.620 11.911 14.105 44 HB2 ALA 7 2HB ALA 7 9.633 13.150 15.363 45 HB3 ALA 7 3HB ALA 7 9.863 11.454 15.794 46 H LYS 8 H LYS 8 6.911 12.784 13.080 47 HA LYS 8 HA LYS 8 5.871 10.143 12.342 48 HB2 LYS 8 2HB LYS 8 5.111 12.942 11.694 49 HB3 LYS 8 1HB LYS 8 4.826 11.723 10.457 50 HG2 LYS 8 2HG LYS 8 3.219 10.664 11.677 51 HG3 LYS 8 1HG LYS 8 3.915 11.155 13.220 52 HD2 LYS 8 2HD LYS 8 2.066 12.504 13.176 53 HD3 LYS 8 1HD LYS 8 3.237 13.557 12.375 54 HE2 LYS 8 2HE LYS 8 2.239 12.094 10.286 55 HE3 LYS 8 1HE LYS 8 0.825 12.278 11.327 56 HZ1 LYS 8 3HZ LYS 8 2.542 14.545 10.462 57 HZ2 LYS 8 1HZ LYS 8 1.048 14.633 11.266 58 HZ3 LYS 8 2HZ LYS 8 1.120 14.081 9.664 59 H ASN 9 H ASN 9 8.105 9.488 11.858 60 HA ASN 9 HA ASN 9 8.739 10.217 9.095 61 HB2 ASN 9 2HB ASN 9 10.339 10.869 11.334 62 HB3 ASN 9 1HB ASN 9 11.177 9.590 10.455 63 HD21 ASN 9 1HD2 ASN 9 8.998 11.911 9.023 64 HD22 ASN 9 2HD2 ASN 9 10.192 12.737 8.080 65 H ALA 10 H ALA 10 8.528 8.527 7.901 66 HA ALA 10 HA ALA 10 9.852 6.056 8.439 67 HB1 ALA 10 1HB ALA 10 7.063 5.384 8.082 68 HB2 ALA 10 2HB ALA 10 8.208 4.813 9.295 69 HB3 ALA 10 3HB ALA 10 7.319 6.316 9.558 70 H LYS 11 H LYS 11 10.289 5.076 6.529 71 HA LYS 11 HA LYS 11 8.741 5.931 4.176 72 HB2 LYS 11 2HB LYS 11 11.666 5.273 4.034 73 HB3 LYS 11 1HB LYS 11 10.690 6.192 2.900 74 HG2 LYS 11 2HG LYS 11 10.667 8.086 4.301 75 HG3 LYS 11 1HG LYS 11 11.300 7.174 5.671 76 HD2 LYS 11 2HD LYS 11 12.789 7.703 3.100 77 HD3 LYS 11 1HD LYS 11 13.006 8.607 4.603 78 HE2 LYS 11 2HE LYS 11 13.234 5.859 5.237 79 HE3 LYS 11 1HE LYS 11 14.206 6.141 3.792 80 HZ1 LYS 11 3HZ LYS 11 15.719 7.239 4.963 81 HZ2 LYS 11 1HZ LYS 11 14.958 6.652 6.361 82 HZ3 LYS 11 2HZ LYS 11 14.559 8.187 5.758 83 H LEU 12 H LEU 12 8.312 4.363 2.642 84 HA LEU 12 HA LEU 12 8.616 1.634 3.509 85 HB2 LEU 12 2HB LEU 12 7.683 1.868 0.792 86 HB3 LEU 12 1HB LEU 12 6.880 1.177 2.186 87 HG LEU 12 HG LEU 12 6.900 4.135 1.599 88 HD11 LEU 12 1HD1 LEU 12 5.561 3.684 -0.118 89 HD12 LEU 12 2HD1 LEU 12 5.404 1.986 0.337 90 HD13 LEU 12 3HD1 LEU 12 4.362 3.199 1.081 91 HD21 LEU 12 3HD2 LEU 12 4.795 3.956 3.036 92 HD22 LEU 12 1HD2 LEU 12 5.405 2.372 3.514 93 HD23 LEU 12 2HD2 LEU 12 6.354 3.820 3.851 94 H ALA 13 H ALA 13 10.943 1.736 3.522 95 HA ALA 13 HA ALA 13 12.950 1.025 2.746 96 HB1 ALA 13 1HB ALA 13 13.152 -0.199 0.722 97 HB2 ALA 13 2HB ALA 13 11.596 -0.620 1.433 98 HB3 ALA 13 3HB ALA 13 11.671 0.501 0.074 99 H THR 14 H THR 14 11.136 3.269 0.805 100 HA THR 14 HA THR 14 13.489 4.949 0.537 101 HB THR 14 HB THR 14 12.168 5.106 -1.978 102 HG1 THR 14 1HG THR 14 12.966 2.461 -1.255 103 HG21 THR 14 3HG2 THR 14 14.290 5.254 -2.704 104 HG22 THR 14 1HG2 THR 14 14.761 3.750 -1.916 105 HG23 THR 14 2HG2 THR 14 14.713 5.250 -0.990 106 H SER 15 H SER 15 10.262 4.811 -0.944 107 HA SER 15 HA SER 15 8.398 6.076 -0.765 108 HB2 SER 15 2HB SER 15 9.696 6.596 1.856 109 HB3 SER 15 1HB SER 15 8.394 7.680 1.362 110 HG SER 15 HG SER 15 7.144 5.726 0.977 111 H ALA 16 H ALA 16 10.946 8.227 0.514 112 HA ALA 16 HA ALA 16 11.488 10.379 0.095 113 HB1 ALA 16 1HB ALA 16 11.399 11.029 -2.403 114 HB2 ALA 16 2HB ALA 16 12.491 9.741 -1.893 115 HB3 ALA 16 3HB ALA 16 10.954 9.342 -2.658 116 H ALA 17 H ALA 17 9.075 10.372 -2.475 117 HA ALA 17 HA ALA 17 7.863 12.736 -1.427 118 HB1 ALA 17 1HB ALA 17 7.943 11.510 -3.897 119 HB2 ALA 17 2HB ALA 17 6.257 11.345 -3.405 120 HB3 ALA 17 3HB ALA 17 7.008 12.943 -3.468 121 H PHE 18 H PHE 18 7.080 9.317 -1.388 122 HA PHE 18 HA PHE 18 4.457 9.631 -0.316 123 HB2 PHE 18 2HB PHE 18 5.450 7.567 -1.503 124 HB3 PHE 18 1HB PHE 18 6.153 7.172 0.061 125 HD1 PHE 18 2HD PHE 18 2.881 8.009 -1.509 126 HD2 PHE 18 1HD PHE 18 4.939 5.917 1.572 127 HE1 PHE 18 2HE PHE 18 0.767 6.958 -0.821 128 HE2 PHE 18 1HE PHE 18 2.827 4.858 2.268 129 HZ PHE 18 HZ PHE 18 0.736 5.381 1.072 130 H ALA 19 H ALA 19 7.582 9.887 1.033 131 HA ALA 19 HA ALA 19 6.842 9.209 3.726 132 HB1 ALA 19 1HB ALA 19 9.161 9.031 2.908 133 HB2 ALA 19 2HB ALA 19 9.223 10.787 2.761 134 HB3 ALA 19 3HB ALA 19 9.023 10.040 4.347 135 H LYS 20 H LYS 20 6.398 11.913 1.699 136 HA LYS 20 HA LYS 20 6.104 13.815 3.868 137 HB2 LYS 20 2HB LYS 20 5.442 13.985 0.917 138 HB3 LYS 20 1HB LYS 20 5.233 15.313 2.051 139 HG2 LYS 20 2HG LYS 20 7.405 15.839 2.009 140 HG3 LYS 20 1HG LYS 20 7.913 14.147 2.070 141 HD2 LYS 20 2HD LYS 20 7.070 14.082 -0.390 142 HD3 LYS 20 1HD LYS 20 7.227 15.839 -0.306 143 HE2 LYS 20 2HE LYS 20 9.580 14.777 0.804 144 HE3 LYS 20 1HE LYS 20 9.258 13.843 -0.657 145 HZ1 LYS 20 3HZ LYS 20 10.622 16.002 -0.825 146 HZ2 LYS 20 1HZ LYS 20 9.121 16.790 -0.711 147 HZ3 LYS 20 2HZ LYS 20 9.418 15.710 -1.987 148 H GLN 21 H GLN 21 4.300 11.550 2.064 149 HA GLN 21 HA GLN 21 1.689 12.445 2.649 150 HB2 GLN 21 2HB GLN 21 2.849 10.412 1.147 151 HB3 GLN 21 1HB GLN 21 1.955 9.559 2.399 152 HG2 GLN 21 2HG GLN 21 0.113 9.854 1.222 153 HG3 GLN 21 1HG GLN 21 0.276 11.591 1.480 154 HE21 GLN 21 1HE2 GLN 21 -0.327 9.502 -0.826 155 HE22 GLN 21 2HE2 GLN 21 0.414 10.279 -2.183 156 H ALA 22 H ALA 22 4.026 10.476 4.351 157 HA ALA 22 HA ALA 22 2.298 9.482 6.356 158 HB1 ALA 22 1HB ALA 22 4.671 9.487 7.612 159 HB2 ALA 22 2HB ALA 22 4.219 8.284 6.405 160 HB3 ALA 22 3HB ALA 22 5.221 9.661 5.946 161 H GLU 23 H GLU 23 3.622 12.577 5.785 162 HA GLU 23 HA GLU 23 3.094 13.428 8.535 163 HB2 GLU 23 2HB GLU 23 4.811 14.433 6.350 164 HB3 GLU 23 1HB GLU 23 4.024 15.666 7.325 165 HG2 GLU 23 2HG GLU 23 5.573 13.410 8.546 166 HG3 GLU 23 1HG GLU 23 6.337 14.916 8.041 167 H GLY 24 H GLY 24 2.318 14.354 5.177 168 HA2 GLY 24 1HA GLY 24 0.407 16.320 5.906 169 HA3 GLY 24 2HA GLY 24 0.579 15.585 4.320 170 H THR 25 H THR 25 0.218 12.891 5.784 171 HA THR 25 HA THR 25 -2.707 13.069 6.110 172 HB THR 25 HB THR 25 -1.339 10.531 5.275 173 HG1 THR 25 1HG THR 25 -1.075 12.668 3.872 174 HG21 THR 25 3HG2 THR 25 -3.871 11.134 4.040 175 HG22 THR 25 1HG2 THR 25 -3.989 11.288 5.791 176 HG23 THR 25 2HG2 THR 25 -3.431 9.777 5.075 177 H THR 26 H THR 26 -3.558 12.230 7.965 178 HA THR 26 HA THR 26 -1.678 11.350 9.989 179 HB THR 26 HB THR 26 -4.434 11.114 10.815 180 HG1 THR 26 1HG THR 26 -3.666 13.452 9.398 181 HG21 THR 26 3HG2 THR 26 -3.202 11.624 12.624 182 HG22 THR 26 1HG2 THR 26 -3.372 13.298 12.093 183 HG23 THR 26 2HG2 THR 26 -1.932 12.376 11.658 184 H CYS 27 H CYS 27 -0.984 9.328 9.507 185 HA CYS 27 HA CYS 27 -2.947 7.195 9.862 186 HB2 CYS 27 2HB CYS 27 -1.241 7.608 7.458 187 HB3 CYS 27 1HB CYS 27 -1.354 5.960 8.067 188 H ASN 28 H ASN 28 -1.402 5.009 9.840 189 HA ASN 28 HA ASN 28 0.646 5.632 11.868 190 HB2 ASN 28 2HB ASN 28 -1.717 4.416 12.431 191 HB3 ASN 28 1HB ASN 28 -0.715 3.016 12.072 192 HD21 ASN 28 1HD2 ASN 28 -1.922 4.086 14.568 193 HD22 ASN 28 2HD2 ASN 28 -0.616 4.172 15.700 194 H VAL 29 H VAL 29 2.049 3.572 12.272 195 HA VAL 29 HA VAL 29 3.564 3.241 9.933 196 HB VAL 29 HB VAL 29 4.536 3.144 12.188 197 HG11 VAL 29 1HG1 VAL 29 3.423 1.944 13.713 198 HG12 VAL 29 2HG1 VAL 29 2.654 0.928 12.490 199 HG13 VAL 29 3HG1 VAL 29 4.286 0.554 13.053 200 HG21 VAL 29 3HG2 VAL 29 6.030 2.299 10.670 201 HG22 VAL 29 1HG2 VAL 29 5.866 0.926 11.765 202 HG23 VAL 29 2HG2 VAL 29 4.990 0.945 10.233 203 H GLY 30 H GLY 30 1.376 0.977 11.600 204 HA2 GLY 30 1HA GLY 30 1.688 -0.899 9.359 205 HA3 GLY 30 2HA GLY 30 0.989 -1.278 10.930 206 H SER 31 H SER 31 0.096 1.685 9.490 207 HA SER 31 HA SER 31 -2.420 0.473 8.583 208 HB2 SER 31 2HB SER 31 -2.373 3.224 9.791 209 HB3 SER 31 1HB SER 31 -3.719 2.089 9.651 210 HG SER 31 HG SER 31 -1.593 1.166 11.137 211 H ILE 32 H ILE 32 0.258 2.265 7.689 212 HA ILE 32 HA ILE 32 -1.109 3.926 5.770 213 HB ILE 32 HB ILE 32 1.378 4.087 6.917 214 HG12 ILE 32 2HG1 ILE 32 1.335 5.579 4.461 215 HG13 ILE 32 1HG1 ILE 32 -0.259 5.576 5.203 216 HG21 ILE 32 1HG2 ILE 32 2.339 2.371 5.483 217 HG22 ILE 32 2HG2 ILE 32 1.829 3.269 4.053 218 HG23 ILE 32 3HG2 ILE 32 3.041 3.951 5.137 219 HD11 ILE 32 3HD1 ILE 32 2.178 6.221 6.809 220 HD12 ILE 32 1HD1 ILE 32 1.388 7.445 5.814 221 HD13 ILE 32 2HD1 ILE 32 0.494 6.652 7.112 222 H ALA 33 H ALA 33 -1.639 3.395 3.723 223 HA ALA 33 HA ALA 33 -0.625 0.920 2.582 224 HB1 ALA 33 1HB ALA 33 -3.188 1.169 3.936 225 HB2 ALA 33 2HB ALA 33 -3.336 0.556 2.289 226 HB3 ALA 33 3HB ALA 33 -2.297 -0.274 3.448 227 H CYS 34 H CYS 34 -1.314 0.560 0.405 228 HA CYS 34 HA CYS 34 -2.320 2.976 -0.944 229 HB2 CYS 34 2HB CYS 34 -0.251 0.957 -1.706 230 HB3 CYS 34 1HB CYS 34 -1.202 1.703 -2.983 231 H CYS 35 H CYS 35 -4.018 2.760 -2.349 232 HA CYS 35 HA CYS 35 -5.255 0.087 -2.474 233 HB2 CYS 35 2HB CYS 35 -6.234 2.118 -0.971 234 HB3 CYS 35 1HB CYS 35 -7.054 2.433 -2.496 235 H ASN 36 H ASN 36 -6.758 -0.209 -4.264 236 HA ASN 36 HA ASN 36 -6.531 1.681 -6.463 237 HB2 ASN 36 2HB ASN 36 -4.684 -0.184 -6.556 238 HB3 ASN 36 1HB ASN 36 -6.013 -1.210 -7.091 239 HD21 ASN 36 1HD2 ASN 36 -4.082 -1.001 -8.830 240 HD22 ASN 36 2HD2 ASN 36 -4.481 0.072 -10.130 241 H SER 37 H SER 37 -8.073 1.200 -8.191 242 HA SER 37 HA SER 37 -10.649 0.772 -7.314 243 HB2 SER 37 2HB SER 37 -10.082 0.007 -10.124 244 HB3 SER 37 1HB SER 37 -11.231 1.188 -9.481 245 HG SER 37 HG SER 37 -8.871 1.667 -10.568 246 HA PRO 38 HA PRO 38 -11.392 -3.382 -6.446 247 HB2 PRO 38 2HB PRO 38 -13.710 -3.397 -8.305 248 HB3 PRO 38 1HB PRO 38 -13.648 -3.768 -6.578 249 HG2 PRO 38 2HG PRO 38 -14.678 -1.467 -7.457 250 HG3 PRO 38 1HG PRO 38 -13.733 -1.543 -5.960 251 HD2 PRO 38 2HD PRO 38 -12.947 -0.513 -8.646 252 HD3 PRO 38 1HD PRO 38 -12.492 0.071 -7.032 253 H ALA 39 H ALA 39 -12.005 -2.848 -9.916 254 HA ALA 39 HA ALA 39 -11.599 -5.583 -10.569 255 HB1 ALA 39 1HB ALA 39 -11.239 -3.804 -12.810 256 HB2 ALA 39 2HB ALA 39 -12.509 -4.988 -12.500 257 HB3 ALA 39 3HB ALA 39 -12.645 -3.354 -11.845 258 H GLU 40 H GLU 40 -9.384 -3.132 -9.881 259 HA GLU 40 HA GLU 40 -7.282 -4.384 -11.512 260 HB2 GLU 40 2HB GLU 40 -6.643 -1.948 -9.949 261 HB3 GLU 40 1HB GLU 40 -6.181 -2.389 -11.587 262 HG2 GLU 40 2HG GLU 40 -9.008 -1.664 -11.004 263 HG3 GLU 40 1HG GLU 40 -7.794 -0.395 -11.152 264 H THR 41 H THR 41 -8.013 -3.303 -8.223 265 HA THR 41 HA THR 41 -5.744 -4.457 -7.007 266 HB THR 41 HB THR 41 -8.125 -3.070 -6.174 267 HG1 THR 41 1HG THR 41 -6.470 -3.035 -4.208 268 HG21 THR 41 3HG2 THR 41 -8.614 -4.065 -4.079 269 HG22 THR 41 1HG2 THR 41 -7.308 -5.237 -4.246 270 HG23 THR 41 2HG2 THR 41 -8.733 -5.345 -5.284 271 H ASN 42 H ASN 42 -8.896 -5.712 -7.886 272 HA ASN 42 HA ASN 42 -8.232 -8.343 -6.748 273 HB2 ASN 42 2HB ASN 42 -10.740 -6.871 -7.231 274 HB3 ASN 42 1HB ASN 42 -10.796 -8.576 -7.667 275 HD21 ASN 42 1HD2 ASN 42 -9.436 -6.622 -5.031 276 HD22 ASN 42 2HD2 ASN 42 -10.050 -7.614 -3.756 277 H ASN 43 H ASN 43 -7.393 -6.934 -9.329 278 HA ASN 43 HA ASN 43 -8.523 -7.921 -11.615 279 HB2 ASN 43 2HB ASN 43 -6.519 -6.316 -11.291 280 HB3 ASN 43 1HB ASN 43 -5.533 -7.775 -11.377 281 HD21 ASN 43 1HD2 ASN 43 -8.172 -6.150 -13.096 282 HD22 ASN 43 2HD2 ASN 43 -7.609 -6.550 -14.687 283 H ASP 44 H ASP 44 -6.211 -9.601 -9.538 284 HA ASP 44 HA ASP 44 -6.621 -12.003 -11.196 285 HB2 ASP 44 2HB ASP 44 -4.239 -11.092 -10.920 286 HB3 ASP 44 1HB ASP 44 -4.354 -11.617 -9.242 287 H SER 45 H SER 45 -7.258 -13.896 -10.197 288 HA SER 45 HA SER 45 -8.849 -13.683 -7.906 289 HB2 SER 45 2HB SER 45 -7.751 -16.348 -8.655 290 HB3 SER 45 1HB SER 45 -9.413 -15.866 -8.320 291 HG SER 45 HG SER 45 -9.691 -15.310 -10.347 292 H LEU 46 H LEU 46 -5.486 -14.671 -8.312 293 HA LEU 46 HA LEU 46 -5.193 -15.540 -5.588 294 HB2 LEU 46 2HB LEU 46 -3.564 -16.579 -6.749 295 HB3 LEU 46 1HB LEU 46 -3.509 -15.340 -7.986 296 HG LEU 46 HG LEU 46 -2.381 -14.307 -5.552 297 HD11 LEU 46 1HD1 LEU 46 -1.657 -17.074 -6.280 298 HD12 LEU 46 2HD1 LEU 46 -0.320 -15.973 -5.945 299 HD13 LEU 46 3HD1 LEU 46 -1.565 -16.247 -4.724 300 HD21 LEU 46 3HD2 LEU 46 -1.125 -13.297 -7.081 301 HD22 LEU 46 1HD2 LEU 46 -0.492 -14.842 -7.647 302 HD23 LEU 46 2HD2 LEU 46 -1.990 -14.203 -8.322 303 H LEU 47 H LEU 47 -4.776 -12.571 -7.378 304 HA LEU 47 HA LEU 47 -3.200 -11.137 -5.547 305 HB2 LEU 47 2HB LEU 47 -4.687 -10.588 -7.952 306 HB3 LEU 47 1HB LEU 47 -4.958 -9.312 -6.781 307 HG LEU 47 HG LEU 47 -3.118 -8.770 -8.300 308 HD11 LEU 47 1HD1 LEU 47 -1.617 -7.976 -6.687 309 HD12 LEU 47 2HD1 LEU 47 -3.164 -8.085 -5.846 310 HD13 LEU 47 3HD1 LEU 47 -1.937 -9.325 -5.598 311 HD21 LEU 47 3HD2 LEU 47 -1.131 -10.034 -8.453 312 HD22 LEU 47 1HD2 LEU 47 -1.579 -11.049 -7.084 313 HD23 LEU 47 2HD2 LEU 47 -2.448 -11.196 -8.611 314 H SER 48 H SER 48 -6.690 -11.577 -5.823 315 HA SER 48 HA SER 48 -7.538 -9.733 -3.918 316 HB2 SER 48 2HB SER 48 -9.192 -12.061 -3.788 317 HB3 SER 48 1HB SER 48 -9.508 -10.530 -4.611 318 HG SER 48 HG SER 48 -8.349 -12.901 -5.623 319 H GLY 49 H GLY 49 -6.169 -12.940 -3.510 320 HA2 GLY 49 1HA GLY 49 -6.805 -13.023 -0.678 321 HA3 GLY 49 2HA GLY 49 -5.870 -14.213 -1.574 322 H LEU 50 H LEU 50 -4.131 -12.147 -2.717 323 HA LEU 50 HA LEU 50 -2.111 -12.200 -0.723 324 HB2 LEU 50 2HB LEU 50 -2.340 -11.538 -3.512 325 HB3 LEU 50 1HB LEU 50 -1.423 -10.294 -2.684 326 HG LEU 50 HG LEU 50 0.152 -11.973 -1.861 327 HD11 LEU 50 1HD1 LEU 50 -0.998 -13.957 -1.588 328 HD12 LEU 50 2HD1 LEU 50 -1.765 -13.853 -3.173 329 HD13 LEU 50 3HD1 LEU 50 -0.059 -14.274 -3.047 330 HD21 LEU 50 3HD2 LEU 50 -0.388 -11.789 -4.799 331 HD22 LEU 50 1HD2 LEU 50 0.881 -11.018 -3.849 332 HD23 LEU 50 2HD2 LEU 50 0.962 -12.748 -4.188 333 H LEU 51 H LEU 51 -4.604 -9.975 -1.498 334 HA LEU 51 HA LEU 51 -3.405 -7.639 -0.380 335 HB2 LEU 51 2HB LEU 51 -6.267 -8.341 -1.000 336 HB3 LEU 51 1HB LEU 51 -5.771 -6.779 -0.376 337 HG LEU 51 HG LEU 51 -4.324 -7.646 -2.781 338 HD11 LEU 51 1HD1 LEU 51 -6.074 -7.368 -4.323 339 HD12 LEU 51 2HD1 LEU 51 -6.707 -8.468 -3.098 340 HD13 LEU 51 3HD1 LEU 51 -7.177 -6.769 -3.085 341 HD21 LEU 51 3HD2 LEU 51 -4.850 -5.295 -1.364 342 HD22 LEU 51 1HD2 LEU 51 -3.972 -5.456 -2.885 343 HD23 LEU 51 2HD2 LEU 51 -5.705 -5.127 -2.897 344 H GLY 52 H GLY 52 -4.713 -10.428 1.018 345 HA2 GLY 52 1HA GLY 52 -5.076 -8.999 3.572 346 HA3 GLY 52 2HA GLY 52 -6.173 -10.278 3.065 347 H ALA 53 H ALA 53 -2.793 -9.600 3.882 348 HA ALA 53 HA ALA 53 -2.190 -12.432 4.037 349 HB1 ALA 53 1HB ALA 53 -0.287 -11.457 3.308 350 HB2 ALA 53 2HB ALA 53 -0.641 -9.922 4.099 351 HB3 ALA 53 3HB ALA 53 0.018 -11.263 5.034 352 H GLY 54 H GLY 54 -3.251 -9.934 6.133 353 HA2 GLY 54 1HA GLY 54 -3.024 -11.795 8.399 354 HA3 GLY 54 2HA GLY 54 -2.451 -10.144 8.589 355 H LEU 55 H LEU 55 -5.330 -11.932 7.506 356 HA LEU 55 HA LEU 55 -7.554 -11.590 7.791 357 HB2 LEU 55 2HB LEU 55 -6.286 -11.294 10.331 358 HB3 LEU 55 1HB LEU 55 -7.652 -10.199 10.251 359 HG LEU 55 HG LEU 55 -7.768 -13.180 9.784 360 HD11 LEU 55 1HD1 LEU 55 -9.333 -12.257 11.979 361 HD12 LEU 55 2HD1 LEU 55 -7.995 -13.406 11.977 362 HD13 LEU 55 3HD1 LEU 55 -7.677 -11.682 12.176 363 HD21 LEU 55 3HD2 LEU 55 -9.702 -10.982 9.404 364 HD22 LEU 55 1HD2 LEU 55 -9.577 -12.539 8.590 365 HD23 LEU 55 2HD2 LEU 55 -10.308 -12.438 10.193 366 H LEU 56 H LEU 56 -6.503 -9.730 6.173 367 HA LEU 56 HA LEU 56 -7.202 -7.084 7.083 368 HB2 LEU 56 2HB LEU 56 -5.593 -8.221 4.992 369 HB3 LEU 56 1HB LEU 56 -6.706 -7.043 4.318 370 HG LEU 56 HG LEU 56 -5.694 -5.741 6.533 371 HD11 LEU 56 1HD1 LEU 56 -3.336 -6.002 6.521 372 HD12 LEU 56 2HD1 LEU 56 -4.044 -7.604 6.724 373 HD13 LEU 56 3HD1 LEU 56 -3.403 -7.116 5.155 374 HD21 LEU 56 3HD2 LEU 56 -5.976 -5.275 3.879 375 HD22 LEU 56 1HD2 LEU 56 -5.143 -4.198 4.998 376 HD23 LEU 56 2HD2 LEU 56 -4.218 -5.341 4.024 377 H ASN 57 H ASN 57 -8.598 -5.689 5.821 378 HA ASN 57 HA ASN 57 -10.804 -7.106 4.508 379 HB2 ASN 57 2HB ASN 57 -11.210 -6.201 6.901 380 HB3 ASN 57 1HB ASN 57 -11.204 -4.612 6.144 381 HD21 ASN 57 1HD2 ASN 57 -13.402 -4.739 7.154 382 HD22 ASN 57 2HD2 ASN 57 -14.675 -5.357 6.175 383 H GLY 58 H GLY 58 -12.257 -5.100 3.542 384 HA2 GLY 58 1HA GLY 58 -10.381 -3.902 1.611 385 HA3 GLY 58 2HA GLY 58 -12.089 -4.214 1.315 386 H LEU 59 H LEU 59 -12.387 -2.053 0.624 387 HA LEU 59 HA LEU 59 -11.762 0.174 2.274 388 HB2 LEU 59 2HB LEU 59 -12.664 -0.231 -0.338 389 HB3 LEU 59 1HB LEU 59 -13.964 0.641 0.449 390 HG LEU 59 HG LEU 59 -12.101 1.957 -0.789 391 HD11 LEU 59 1HD1 LEU 59 -12.750 2.845 2.003 392 HD12 LEU 59 2HD1 LEU 59 -12.488 3.838 0.568 393 HD13 LEU 59 3HD1 LEU 59 -13.938 2.842 0.699 394 HD21 LEU 59 3HD2 LEU 59 -10.360 0.638 0.656 395 HD22 LEU 59 1HD2 LEU 59 -10.097 2.334 0.254 396 HD23 LEU 59 2HD2 LEU 59 -10.711 1.894 1.845 397 H SER 60 H SER 60 -13.056 1.409 3.570 398 HA SER 60 HA SER 60 -14.988 0.177 5.145 399 HB2 SER 60 2HB SER 60 -14.397 3.106 4.685 400 HB3 SER 60 1HB SER 60 -15.444 2.503 5.968 401 HG SER 60 HG SER 60 -13.348 2.803 6.749 402 H GLY 61 H GLY 61 -16.704 -0.710 4.074 403 HA2 GLY 61 1HA GLY 61 -19.002 -0.480 3.591 404 HA3 GLY 61 2HA GLY 61 -18.720 1.202 3.168 405 H ASN 62 H ASN 62 -16.366 -0.678 1.753 406 HA ASN 62 HA ASN 62 -17.928 -0.948 -0.725 407 HB2 ASN 62 2HB ASN 62 -16.686 1.060 -1.001 408 HB3 ASN 62 1HB ASN 62 -15.226 0.331 -0.353 409 HD21 ASN 62 1HD2 ASN 62 -14.131 1.033 -2.188 410 HD22 ASN 62 2HD2 ASN 62 -14.253 0.199 -3.698 411 H THR 63 H THR 63 -18.104 -3.096 -0.814 412 HA THR 63 HA THR 63 -15.916 -4.851 -0.154 413 HB THR 63 HB THR 63 -18.175 -6.064 -1.560 414 HG1 THR 63 1HG THR 63 -18.936 -5.065 0.932 415 HG21 THR 63 3HG2 THR 63 -16.381 -6.636 0.587 416 HG22 THR 63 1HG2 THR 63 -17.511 -7.720 -0.228 417 HG23 THR 63 2HG2 THR 63 -18.036 -6.796 1.182 418 H GLY 64 H GLY 64 -14.529 -3.791 -1.852 419 HA2 GLY 64 1HA GLY 64 -14.375 -5.558 -4.106 420 HA3 GLY 64 2HA GLY 64 -14.851 -3.929 -4.566 421 H SER 65 H SER 65 -13.407 -2.213 -3.373 422 HA SER 65 HA SER 65 -10.720 -2.747 -4.239 423 HB2 SER 65 2HB SER 65 -11.283 -0.255 -2.746 424 HB3 SER 65 1HB SER 65 -10.473 -0.485 -4.297 425 HG SER 65 HG SER 65 -12.403 0.501 -4.731 426 H ALA 66 H ALA 66 -9.401 -3.855 -2.995 427 HA ALA 66 HA ALA 66 -9.333 -3.328 -0.107 428 HB1 ALA 66 1HB ALA 66 -9.578 -5.645 -0.419 429 HB2 ALA 66 2HB ALA 66 -8.440 -5.670 -1.767 430 HB3 ALA 66 3HB ALA 66 -7.853 -5.422 -0.122 431 H CYS 67 H CYS 67 -7.200 -3.029 0.867 432 HA CYS 67 HA CYS 67 -5.283 -1.933 -1.081 433 HB2 CYS 67 2HB CYS 67 -5.455 -0.608 1.561 434 HB3 CYS 67 1HB CYS 67 -5.148 0.083 -0.028 435 H ALA 68 H ALA 68 -3.137 -2.262 -0.644 436 HA ALA 68 HA ALA 68 -2.589 -4.037 1.623 437 HB1 ALA 68 1HB ALA 68 -0.368 -4.308 0.169 438 HB2 ALA 68 2HB ALA 68 -1.813 -5.283 -0.105 439 HB3 ALA 68 3HB ALA 68 -1.495 -3.876 -1.116 440 H LYS 69 H LYS 69 -1.319 -3.407 3.190 441 HA LYS 69 HA LYS 69 -0.498 -0.664 3.306 442 HB2 LYS 69 2HB LYS 69 0.408 -1.459 5.590 443 HB3 LYS 69 1HB LYS 69 -1.332 -1.469 5.332 444 HG2 LYS 69 2HG LYS 69 0.111 -3.956 4.668 445 HG3 LYS 69 1HG LYS 69 0.018 -3.524 6.376 446 HD2 LYS 69 2HD LYS 69 -2.303 -3.884 4.472 447 HD3 LYS 69 1HD LYS 69 -1.844 -4.945 5.808 448 HE2 LYS 69 2HE LYS 69 -2.854 -2.122 6.003 449 HE3 LYS 69 1HE LYS 69 -3.700 -3.591 6.483 450 HZ1 LYS 69 3HZ LYS 69 -2.087 -2.014 8.059 451 HZ2 LYS 69 1HZ LYS 69 -1.177 -3.421 7.771 452 HZ3 LYS 69 2HZ LYS 69 -2.726 -3.530 8.446 453 H ALA 70 H ALA 70 1.733 -0.157 4.228 454 HA ALA 70 HA ALA 70 3.710 -0.904 2.390 455 HB1 ALA 70 1HB ALA 70 3.862 1.174 3.568 456 HB2 ALA 70 2HB ALA 70 3.968 0.342 5.120 457 HB3 ALA 70 3HB ALA 70 5.284 0.203 3.954 458 H SER 71 H SER 71 2.728 -2.355 5.394 459 HA SER 71 HA SER 71 5.083 -3.915 5.804 460 HB2 SER 71 2HB SER 71 2.930 -5.175 7.077 461 HB3 SER 71 1HB SER 71 4.048 -4.020 7.804 462 HG SER 71 HG SER 71 1.573 -3.635 7.722 463 H LEU 72 H LEU 72 2.091 -4.199 4.094 464 HA LEU 72 HA LEU 72 2.388 -6.994 3.497 465 HB2 LEU 72 2HB LEU 72 0.279 -5.258 3.586 466 HB3 LEU 72 1HB LEU 72 0.555 -5.394 1.857 467 HG LEU 72 HG LEU 72 0.284 -7.806 3.611 468 HD11 LEU 72 1HD1 LEU 72 -2.090 -7.800 2.518 469 HD12 LEU 72 2HD1 LEU 72 -1.789 -6.897 4.004 470 HD13 LEU 72 3HD1 LEU 72 -1.832 -6.058 2.454 471 HD21 LEU 72 3HD2 LEU 72 -0.595 -7.851 0.834 472 HD22 LEU 72 1HD2 LEU 72 1.123 -7.515 1.053 473 HD23 LEU 72 2HD2 LEU 72 0.420 -8.983 1.729 474 H ILE 73 H ILE 73 3.213 -3.934 2.065 475 HA ILE 73 HA ILE 73 3.712 -4.843 -0.547 476 HB ILE 73 HB ILE 73 5.023 -2.563 0.951 477 HG12 ILE 73 2HG1 ILE 73 2.690 -2.124 0.802 478 HG13 ILE 73 1HG1 ILE 73 3.441 -1.190 -0.487 479 HG21 ILE 73 1HG2 ILE 73 6.481 -2.689 -0.775 480 HG22 ILE 73 2HG2 ILE 73 5.352 -3.569 -1.805 481 HG23 ILE 73 3HG2 ILE 73 5.201 -1.822 -1.622 482 HD11 ILE 73 3HD1 ILE 73 1.835 -2.071 -1.763 483 HD12 ILE 73 1HD1 ILE 73 2.849 -3.515 -1.768 484 HD13 ILE 73 2HD1 ILE 73 1.512 -3.380 -0.626 485 H ASP 74 H ASP 74 5.756 -4.613 2.332 486 HA ASP 74 HA ASP 74 8.091 -5.692 1.120 487 HB2 ASP 74 2HB ASP 74 8.854 -4.768 3.029 488 HB3 ASP 74 1HB ASP 74 7.256 -4.791 3.759 489 H GLN 75 H GLN 75 5.177 -7.075 2.225 490 HA GLN 75 HA GLN 75 6.145 -9.623 3.006 491 HB2 GLN 75 2HB GLN 75 3.683 -8.271 3.039 492 HB3 GLN 75 1HB GLN 75 3.425 -9.687 2.030 493 HG2 GLN 75 2HG GLN 75 2.948 -9.879 4.529 494 HG3 GLN 75 1HG GLN 75 3.888 -11.160 3.766 495 HE21 GLN 75 1HE2 GLN 75 4.689 -7.938 4.980 496 HE22 GLN 75 2HE2 GLN 75 5.969 -8.462 6.006 497 H LEU 76 H LEU 76 4.534 -8.484 0.007 498 HA LEU 76 HA LEU 76 5.627 -10.863 -1.318 499 HB2 LEU 76 2HB LEU 76 2.771 -9.994 -1.655 500 HB3 LEU 76 1HB LEU 76 3.526 -11.443 -2.288 501 HG LEU 76 HG LEU 76 3.819 -11.434 0.552 502 HD11 LEU 76 1HD1 LEU 76 1.079 -11.791 0.536 503 HD12 LEU 76 2HD1 LEU 76 1.964 -10.447 1.263 504 HD13 LEU 76 3HD1 LEU 76 1.327 -10.303 -0.375 505 HD21 LEU 76 3HD2 LEU 76 2.504 -13.518 0.336 506 HD22 LEU 76 1HD2 LEU 76 2.244 -13.131 -1.365 507 HD23 LEU 76 2HD2 LEU 76 3.879 -13.429 -0.765 508 H GLY 77 H GLY 77 5.231 -7.547 -1.443 509 HA2 GLY 77 1HA GLY 77 5.821 -6.067 -3.121 510 HA3 GLY 77 2HA GLY 77 6.195 -7.450 -4.140 511 H LEU 78 H LEU 78 3.227 -6.238 -2.598 512 HA LEU 78 HA LEU 78 1.498 -7.122 -4.625 513 HB2 LEU 78 2HB LEU 78 1.306 -5.379 -2.243 514 HB3 LEU 78 1HB LEU 78 0.072 -5.143 -3.463 515 HG LEU 78 HG LEU 78 -0.194 -6.860 -1.429 516 HD11 LEU 78 1HD1 LEU 78 -1.235 -7.118 -4.236 517 HD12 LEU 78 2HD1 LEU 78 -1.839 -8.076 -2.879 518 HD13 LEU 78 3HD1 LEU 78 -1.996 -6.319 -2.857 519 HD21 LEU 78 3HD2 LEU 78 1.098 -8.457 -3.636 520 HD22 LEU 78 1HD2 LEU 78 1.608 -8.328 -1.950 521 HD23 LEU 78 2HD2 LEU 78 0.113 -9.169 -2.357 522 H LEU 79 H LEU 79 2.408 -6.380 -6.600 523 HA LEU 79 HA LEU 79 2.941 -3.639 -7.132 524 HB2 LEU 79 2HB LEU 79 2.792 -4.681 -9.597 525 HB3 LEU 79 1HB LEU 79 4.190 -4.864 -8.557 526 HG LEU 79 HG LEU 79 2.972 -7.063 -7.791 527 HD11 LEU 79 1HD1 LEU 79 1.365 -6.164 -10.044 528 HD12 LEU 79 2HD1 LEU 79 1.985 -7.803 -10.246 529 HD13 LEU 79 3HD1 LEU 79 1.024 -7.392 -8.825 530 HD21 LEU 79 3HD2 LEU 79 4.119 -7.156 -10.546 531 HD22 LEU 79 1HD2 LEU 79 5.125 -6.658 -9.189 532 HD23 LEU 79 2HD2 LEU 79 4.374 -8.253 -9.188 533 H ALA 80 H ALA 80 0.029 -4.880 -6.589 534 HA ALA 80 HA ALA 80 -1.392 -4.031 -8.937 535 HB1 ALA 80 1HB ALA 80 -2.335 -5.891 -7.871 536 HB2 ALA 80 2HB ALA 80 -2.256 -5.130 -6.283 537 HB3 ALA 80 3HB ALA 80 -3.418 -4.555 -7.477 538 H LEU 81 H LEU 81 -0.407 -2.554 -5.978 539 HA LEU 81 HA LEU 81 -2.212 -0.294 -6.538 540 HB2 LEU 81 2HB LEU 81 -1.625 -0.129 -3.846 541 HB3 LEU 81 1HB LEU 81 -3.145 -0.621 -4.565 542 HG LEU 81 HG LEU 81 -1.516 -2.910 -4.566 543 HD11 LEU 81 1HD1 LEU 81 -0.816 -1.138 -2.407 544 HD12 LEU 81 2HD1 LEU 81 -1.537 -2.628 -1.790 545 HD13 LEU 81 3HD1 LEU 81 -0.128 -2.701 -2.851 546 HD21 LEU 81 3HD2 LEU 81 -3.569 -2.466 -2.477 547 HD22 LEU 81 1HD2 LEU 81 -4.055 -2.326 -4.168 548 HD23 LEU 81 2HD2 LEU 81 -3.339 -3.827 -3.577 549 H VAL 82 H VAL 82 0.985 -1.201 -6.434 550 HA VAL 82 HA VAL 82 1.782 1.505 -5.604 551 HB VAL 82 HB VAL 82 4.042 -0.275 -5.605 552 HG11 VAL 82 1HG1 VAL 82 4.617 1.115 -3.967 553 HG12 VAL 82 2HG1 VAL 82 3.074 1.935 -4.206 554 HG13 VAL 82 3HG1 VAL 82 3.213 0.648 -3.006 555 HG21 VAL 82 3HG2 VAL 82 2.118 -1.053 -3.469 556 HG22 VAL 82 1HG2 VAL 82 2.013 -1.839 -5.042 557 HG23 VAL 82 2HG2 VAL 82 3.507 -1.931 -4.109 558 H ASP 83 H ASP 83 3.008 2.698 -6.850 559 HA ASP 83 HA ASP 83 3.901 1.536 -9.401 560 HB2 ASP 83 2HB ASP 83 2.124 3.371 -9.455 561 HB3 ASP 83 1HB ASP 83 3.376 4.474 -8.896 562 H HIS 84 H HIS 84 6.001 2.355 -10.201 563 HA HIS 84 HA HIS 84 7.690 3.045 -7.895 564 HB2 HIS 84 2HB HIS 84 7.835 0.801 -9.691 565 HB3 HIS 84 1HB HIS 84 9.328 1.737 -9.743 566 HD1 HIS 84 1HD HIS 84 10.443 2.191 -7.320 567 HD2 HIS 84 2HD HIS 84 7.606 -0.833 -7.530 568 HE1 HIS 84 1HE HIS 84 10.732 0.855 -5.218 569 HE2 HIS 84 2HE HIS 84 9.160 -1.106 -5.478 570 H THR 85 H THR 85 8.079 5.129 -8.139 571 HA THR 85 HA THR 85 9.170 6.055 -10.705 572 HB THR 85 HB THR 85 8.840 8.333 -9.824 573 HG1 THR 85 1HG THR 85 8.427 8.651 -7.780 574 HG21 THR 85 3HG2 THR 85 6.983 6.884 -10.951 575 HG22 THR 85 1HG2 THR 85 6.560 8.432 -10.215 576 HG23 THR 85 2HG2 THR 85 6.242 6.929 -9.352 577 H GLU 86 H GLU 86 10.727 8.149 -9.846 578 HA GLU 86 HA GLU 86 13.114 6.859 -9.051 579 HB2 GLU 86 2HB GLU 86 13.261 9.689 -8.561 580 HB3 GLU 86 1HB GLU 86 14.050 8.741 -9.812 581 HG2 GLU 86 2HG GLU 86 11.204 9.659 -10.072 582 HG3 GLU 86 1HG GLU 86 12.567 10.669 -10.552 583 H GLU 87 H GLU 87 10.575 8.409 -7.274 584 HA GLU 87 HA GLU 87 12.032 8.864 -4.867 585 HB2 GLU 87 2HB GLU 87 9.055 8.548 -5.298 586 HB3 GLU 87 1HB GLU 87 9.811 9.163 -3.835 587 HG2 GLU 87 2HG GLU 87 9.543 11.177 -4.725 588 HG3 GLU 87 1HG GLU 87 10.877 10.754 -5.799 589 H GLY 88 H GLY 88 10.296 6.136 -6.180 590 HA2 GLY 88 1HA GLY 88 11.232 3.988 -5.202 591 HA3 GLY 88 2HA GLY 88 10.773 4.689 -3.657 592 HA PRO 89 HA PRO 89 7.044 2.310 -4.838 593 HB2 PRO 89 2HB PRO 89 6.750 1.916 -1.967 594 HB3 PRO 89 1HB PRO 89 6.956 0.706 -3.236 595 HG2 PRO 89 2HG PRO 89 8.867 1.233 -1.388 596 HG3 PRO 89 1HG PRO 89 9.241 0.692 -3.034 597 HD2 PRO 89 2HD PRO 89 9.307 3.463 -1.887 598 HD3 PRO 89 1HD PRO 89 10.474 2.668 -2.968 599 H VAL 90 H VAL 90 5.608 3.852 -5.362 600 HA VAL 90 HA VAL 90 4.522 5.523 -3.192 601 HB VAL 90 HB VAL 90 3.913 7.092 -5.197 602 HG11 VAL 90 1HG1 VAL 90 5.493 7.491 -3.255 603 HG12 VAL 90 2HG1 VAL 90 6.794 7.005 -4.339 604 HG13 VAL 90 3HG1 VAL 90 5.807 8.417 -4.721 605 HG21 VAL 90 3HG2 VAL 90 6.197 5.466 -6.304 606 HG22 VAL 90 1HG2 VAL 90 4.617 5.755 -7.032 607 HG23 VAL 90 2HG2 VAL 90 5.782 7.072 -6.899 608 H CYS 91 H CYS 91 2.238 6.230 -3.626 609 HA CYS 91 HA CYS 91 0.658 3.937 -4.143 610 HB2 CYS 91 2HB CYS 91 0.232 6.660 -3.192 611 HB3 CYS 91 1HB CYS 91 -1.089 6.094 -4.206 612 H LYS 92 H LYS 92 -0.089 3.181 -5.977 613 HA LYS 92 HA LYS 92 0.438 4.437 -8.481 614 HB2 LYS 92 2HB LYS 92 -0.011 1.886 -7.676 615 HB3 LYS 92 1HB LYS 92 -1.576 2.281 -8.365 616 HG2 LYS 92 2HG LYS 92 -0.751 2.462 -10.495 617 HG3 LYS 92 1HG LYS 92 0.875 2.874 -9.941 618 HD2 LYS 92 2HD LYS 92 1.152 0.570 -9.122 619 HD3 LYS 92 1HD LYS 92 -0.441 0.170 -9.759 620 HE2 LYS 92 2HE LYS 92 0.672 -0.453 -11.604 621 HE3 LYS 92 1HE LYS 92 0.783 1.275 -11.940 622 HZ1 LYS 92 3HZ LYS 92 2.820 0.024 -10.234 623 HZ2 LYS 92 1HZ LYS 92 2.956 1.368 -11.266 624 HZ3 LYS 92 2HZ LYS 92 2.910 -0.200 -11.913 625 H ASN 93 H ASN 93 -2.159 4.533 -6.268 626 HA ASN 93 HA ASN 93 -3.741 6.192 -8.023 627 HB2 ASN 93 2HB ASN 93 -4.342 3.378 -7.669 628 HB3 ASN 93 1HB ASN 93 -5.668 4.381 -7.089 629 HD21 ASN 93 1HD2 ASN 93 -3.583 3.760 -9.838 630 HD22 ASN 93 2HD2 ASN 93 -4.699 4.273 -11.045 631 H ILE 94 H ILE 94 -5.144 4.318 -5.425 632 HA ILE 94 HA ILE 94 -5.797 6.833 -4.101 633 HB ILE 94 HB ILE 94 -6.875 4.292 -3.033 634 HG12 ILE 94 2HG1 ILE 94 -8.009 5.362 -5.612 635 HG13 ILE 94 1HG1 ILE 94 -6.821 4.063 -5.588 636 HG21 ILE 94 1HG2 ILE 94 -8.368 5.678 -2.170 637 HG22 ILE 94 2HG2 ILE 94 -7.478 7.021 -2.889 638 HG23 ILE 94 3HG2 ILE 94 -8.807 6.271 -3.771 639 HD11 ILE 94 3HD1 ILE 94 -9.513 3.718 -5.512 640 HD12 ILE 94 1HD1 ILE 94 -8.328 2.540 -4.945 641 HD13 ILE 94 2HD1 ILE 94 -9.096 3.638 -3.800 642 H VAL 95 H VAL 95 -5.073 7.411 -2.124 643 HA VAL 95 HA VAL 95 -3.353 5.529 -0.685 644 HB VAL 95 HB VAL 95 -2.194 7.534 -0.795 645 HG11 VAL 95 1HG1 VAL 95 -4.327 9.364 0.114 646 HG12 VAL 95 2HG1 VAL 95 -3.034 9.615 -1.062 647 HG13 VAL 95 3HG1 VAL 95 -4.483 8.714 -1.518 648 HG21 VAL 95 3HG2 VAL 95 -2.878 6.690 1.653 649 HG22 VAL 95 1HG2 VAL 95 -1.809 8.065 1.373 650 HG23 VAL 95 2HG2 VAL 95 -3.514 8.334 1.728 651 H ALA 96 H ALA 96 -3.979 4.586 1.195 652 HA ALA 96 HA ALA 96 -6.440 5.520 2.485 653 HB1 ALA 96 1HB ALA 96 -6.356 3.327 0.711 654 HB2 ALA 96 2HB ALA 96 -6.545 2.673 2.338 655 HB3 ALA 96 3HB ALA 96 -7.699 3.858 1.724 656 H CYS 97 H CYS 97 -6.841 4.413 4.563 657 HA CYS 97 HA CYS 97 -4.308 3.616 5.837 658 HB2 CYS 97 2HB CYS 97 -6.078 5.614 6.572 659 HB3 CYS 97 1HB CYS 97 -6.497 4.286 7.645 660 H CYS 98 H CYS 98 -4.163 1.501 5.971 661 HA CYS 98 HA CYS 98 -6.574 -0.089 6.585 662 HB2 CYS 98 2HB CYS 98 -4.025 -0.799 5.130 663 HB3 CYS 98 1HB CYS 98 -5.149 -2.016 5.723 664 HA PRO 99 HA PRO 99 -4.314 -0.775 10.433 665 HB2 PRO 99 2HB PRO 99 -6.324 -1.980 11.765 666 HB3 PRO 99 1HB PRO 99 -6.293 -0.233 11.496 667 HG2 PRO 99 2HG PRO 99 -7.817 -2.346 10.020 668 HG3 PRO 99 1HG PRO 99 -8.359 -0.747 10.563 669 HD2 PRO 99 2HD PRO 99 -7.575 -1.286 7.999 670 HD3 PRO 99 1HD PRO 99 -7.433 0.317 8.750 671 H GLU 100 H GLU 100 -2.957 -2.481 10.856 672 HA GLU 100 HA GLU 100 -3.447 -5.005 9.537 673 HB2 GLU 100 2HB GLU 100 -1.147 -3.781 10.201 674 HB3 GLU 100 1HB GLU 100 -1.324 -4.824 11.604 675 HG2 GLU 100 2HG GLU 100 -0.416 -6.464 10.425 676 HG3 GLU 100 1HG GLU 100 -1.857 -6.464 9.406 677 H GLY 101 H GLY 101 -4.640 -6.588 10.322 678 HA2 GLY 101 1HA GLY 101 -4.707 -8.043 12.447 679 HA3 GLY 101 2HA GLY 101 -5.287 -6.557 13.191 680 H THR 102 H THR 102 -7.038 -5.535 11.448 681 HA THR 102 HA THR 102 -8.763 -7.211 10.084 682 HB THR 102 HB THR 102 -9.038 -8.212 12.411 683 HG1 THR 102 1HG THR 102 -10.919 -8.843 11.686 684 HG21 THR 102 3HG2 THR 102 -9.113 -5.997 13.587 685 HG22 THR 102 1HG2 THR 102 -10.418 -7.106 14.010 686 HG23 THR 102 2HG2 THR 102 -10.724 -5.764 12.906 687 H THR 103 H THR 103 -11.089 -6.202 10.081 688 HA THR 103 HA THR 103 -12.498 -4.471 9.739 689 HB THR 103 HB THR 103 -10.630 -2.393 10.814 690 HG1 THR 103 1HG THR 103 -10.450 -4.051 12.343 691 HG21 THR 103 3HG2 THR 103 -13.502 -2.743 11.551 692 HG22 THR 103 1HG2 THR 103 -13.092 -2.129 9.946 693 HG23 THR 103 2HG2 THR 103 -12.556 -1.262 11.388 694 H ASN 104 H ASN 104 -12.820 -2.594 8.449 695 HA ASN 104 HA ASN 104 -11.407 -2.903 5.986 696 HB2 ASN 104 2HB ASN 104 -13.067 -0.831 5.504 697 HB3 ASN 104 1HB ASN 104 -13.586 -2.512 5.474 698 HD21 ASN 104 1HD2 ASN 104 -13.819 0.517 7.052 699 HD22 ASN 104 2HD2 ASN 104 -14.989 0.055 8.244 700 H CYS 105 H CYS 105 -11.023 -0.777 4.698 701 HA CYS 105 HA CYS 105 -9.235 0.892 6.342 702 HB2 CYS 105 2HB CYS 105 -9.094 0.512 3.355 703 HB3 CYS 105 1HB CYS 105 -7.853 1.151 4.424 704 H VAL 106 H VAL 106 -9.387 3.076 6.223 705 HA VAL 106 HA VAL 106 -11.618 4.199 4.735 706 HB VAL 106 HB VAL 106 -11.438 6.131 6.061 707 HG11 VAL 106 1HG1 VAL 106 -11.855 3.776 7.234 708 HG12 VAL 106 2HG1 VAL 106 -10.446 4.297 8.158 709 HG13 VAL 106 3HG1 VAL 106 -11.895 5.302 8.122 710 HG21 VAL 106 3HG2 VAL 106 -9.569 6.977 7.101 711 HG22 VAL 106 1HG2 VAL 106 -8.837 5.390 7.324 712 HG23 VAL 106 2HG2 VAL 106 -8.828 6.147 5.733 713 H ALA 107 H ALA 107 -11.393 5.603 3.033 714 HA ALA 107 HA ALA 107 -8.709 5.764 1.873 715 HB1 ALA 107 1HB ALA 107 -10.018 4.973 0.179 716 HB2 ALA 107 2HB ALA 107 -11.462 5.806 0.754 717 HB3 ALA 107 3HB ALA 107 -10.212 6.703 -0.105 718 H VAL 108 H VAL 108 -7.620 7.628 1.775 719 HA VAL 108 HA VAL 108 -8.925 9.984 2.897 720 HB VAL 108 HB VAL 108 -6.100 10.321 2.271 721 HG11 VAL 108 1HG1 VAL 108 -8.037 11.060 4.262 722 HG12 VAL 108 2HG1 VAL 108 -6.581 10.438 5.036 723 HG13 VAL 108 3HG1 VAL 108 -6.470 11.787 3.905 724 HG21 VAL 108 3HG2 VAL 108 -6.275 8.539 4.562 725 HG22 VAL 108 1HG2 VAL 108 -6.733 7.748 3.053 726 HG23 VAL 108 2HG2 VAL 108 -5.152 8.522 3.198 727 H ASP 109 H ASP 109 -8.706 8.755 0.020 728 HA ASP 109 HA ASP 109 -8.689 11.397 -1.261 729 HB2 ASP 109 2HB ASP 109 -6.899 10.309 -2.340 730 HB3 ASP 109 1HB ASP 109 -7.716 8.749 -2.314 731 H ASN 110 H ASN 110 -10.402 11.834 -2.595 732 HA ASN 110 HA ASN 110 -12.487 9.811 -2.875 733 HB2 ASN 110 2HB ASN 110 -12.583 12.074 -1.044 734 HB3 ASN 110 1HB ASN 110 -13.895 12.137 -2.216 735 HD21 ASN 110 1HD2 ASN 110 -12.238 9.615 -0.306 736 HD22 ASN 110 2HD2 ASN 110 -13.701 8.883 0.267 737 H ALA 111 H ALA 111 -10.516 11.392 -4.535 738 HA ALA 111 HA ALA 111 -12.473 12.434 -6.467 739 HB1 ALA 111 1HB ALA 111 -11.746 14.451 -5.596 740 HB2 ALA 111 2HB ALA 111 -10.105 13.861 -5.332 741 HB3 ALA 111 3HB ALA 111 -10.658 14.223 -6.968 742 H GLY 112 H GLY 112 -9.242 11.182 -5.829 743 HA2 GLY 112 1HA GLY 112 -7.998 9.751 -7.184 744 HA3 GLY 112 2HA GLY 112 -9.163 9.997 -8.484 745 H ALA 113 H ALA 113 -7.008 12.086 -6.576 746 HA ALA 113 HA ALA 113 -6.153 13.331 -9.105 747 HB1 ALA 113 1HB ALA 113 -5.673 15.350 -7.794 748 HB2 ALA 113 2HB ALA 113 -7.365 14.872 -7.655 749 HB3 ALA 113 3HB ALA 113 -6.243 14.534 -6.337 750 H GLY 114 H GLY 114 -3.913 14.531 -8.631 751 HA2 GLY 114 1HA GLY 114 -2.046 12.394 -8.144 752 HA3 GLY 114 2HA GLY 114 -1.654 14.046 -8.597 753 H THR 115 H THR 115 -2.569 11.988 -5.881 754 HA THR 115 HA THR 115 -1.919 13.974 -3.919 755 HB THR 115 HB THR 115 -1.930 11.361 -2.787 756 HG1 THR 115 1HG THR 115 -4.381 11.355 -3.819 757 HG21 THR 115 3HG2 THR 115 -3.834 13.688 -2.804 758 HG22 THR 115 1HG2 THR 115 -2.721 13.188 -1.531 759 HG23 THR 115 2HG2 THR 115 -4.152 12.222 -1.880 760 H LYS 116 H LYS 116 0.260 14.423 -4.696 761 HA LYS 116 HA LYS 116 2.172 13.025 -3.090 762 HB2 LYS 116 2HB LYS 116 1.908 12.306 -5.888 763 HB3 LYS 116 1HB LYS 116 3.498 12.984 -5.570 764 HG2 LYS 116 2HG LYS 116 3.131 11.235 -3.472 765 HG3 LYS 116 1HG LYS 116 2.393 10.401 -4.840 766 HD2 LYS 116 2HD LYS 116 5.167 11.594 -4.877 767 HD3 LYS 116 1HD LYS 116 4.823 9.900 -4.515 768 HE2 LYS 116 2HE LYS 116 4.784 9.439 -6.687 769 HE3 LYS 116 1HE LYS 116 3.464 10.585 -6.916 770 HZ1 LYS 116 3HZ LYS 116 6.371 11.224 -6.998 771 HZ2 LYS 116 1HZ LYS 116 5.116 12.357 -7.159 772 HZ3 LYS 116 2HZ LYS 116 5.318 11.147 -8.323 773 H ALA 117 H ALA 117 1.107 15.707 -3.393 774 HA ALA 117 HA ALA 117 3.517 17.156 -4.265 775 HB1 ALA 117 1HB ALA 117 1.661 19.041 -4.599 776 HB2 ALA 117 2HB ALA 117 2.117 17.910 -5.872 777 HB3 ALA 117 3HB ALA 117 0.672 17.617 -4.906 778 H GLU 118 H GLU 118 4.243 18.818 -3.027 779 HA GLU 118 HA GLU 118 2.727 19.924 -0.857 780 HB2 GLU 118 2HB GLU 118 3.399 18.225 0.544 781 HB3 GLU 118 1HB GLU 118 4.848 17.878 -0.385 782 HG2 GLU 118 2HG GLU 118 6.069 19.016 1.053 783 HG3 GLU 118 1HG GLU 118 5.108 20.463 0.766 Start of MODEL 9 1 H1 SER 1 1H SER 1 5.068 -11.202 -9.963 2 H2 SER 1 2H SER 1 4.163 -10.004 -9.187 3 H3 SER 1 3H SER 1 4.290 -11.543 -8.495 4 HA SER 1 HA SER 1 6.213 -9.354 -8.568 5 HB2 SER 1 2HB SER 1 6.081 -11.400 -6.414 6 HB3 SER 1 1HB SER 1 6.272 -9.650 -6.299 7 HG SER 1 HG SER 1 4.230 -9.674 -5.802 8 H LEU 2 H LEU 2 5.992 -12.730 -9.261 9 HA LEU 2 HA LEU 2 7.468 -14.221 -10.096 10 HB2 LEU 2 2HB LEU 2 8.569 -11.661 -10.809 11 HB3 LEU 2 1HB LEU 2 9.866 -12.796 -10.485 12 HG LEU 2 HG LEU 2 7.782 -13.932 -12.184 13 HD11 LEU 2 1HD1 LEU 2 8.789 -12.528 -14.156 14 HD12 LEU 2 2HD1 LEU 2 7.417 -11.926 -13.227 15 HD13 LEU 2 3HD1 LEU 2 9.040 -11.327 -12.889 16 HD21 LEU 2 3HD2 LEU 2 10.596 -14.106 -11.747 17 HD22 LEU 2 1HD2 LEU 2 9.553 -15.173 -12.686 18 HD23 LEU 2 2HD2 LEU 2 10.301 -13.773 -13.453 19 HA PRO 3 HA PRO 3 9.515 -14.846 -6.071 20 HB2 PRO 3 2HB PRO 3 8.623 -17.595 -6.304 21 HB3 PRO 3 1HB PRO 3 8.149 -16.376 -5.121 22 HG2 PRO 3 2HG PRO 3 6.458 -17.346 -7.028 23 HG3 PRO 3 1HG PRO 3 6.316 -15.726 -6.322 24 HD2 PRO 3 2HD PRO 3 7.508 -16.555 -8.946 25 HD3 PRO 3 1HD PRO 3 6.479 -15.155 -8.565 26 H ALA 4 H ALA 4 11.245 -14.586 -7.968 27 HA ALA 4 HA ALA 4 12.472 -17.040 -8.819 28 HB1 ALA 4 1HB ALA 4 14.356 -14.996 -9.076 29 HB2 ALA 4 2HB ALA 4 13.283 -15.625 -10.326 30 HB3 ALA 4 3HB ALA 4 12.794 -14.230 -9.362 31 H SER 5 H SER 5 13.946 -14.403 -6.915 32 HA SER 5 HA SER 5 14.981 -16.462 -5.083 33 HB2 SER 5 2HB SER 5 16.867 -14.621 -4.787 34 HB3 SER 5 1HB SER 5 16.959 -15.821 -6.076 35 HG SER 5 HG SER 5 16.559 -14.321 -7.537 36 H ALA 6 H ALA 6 15.536 -13.031 -4.754 37 HA ALA 6 HA ALA 6 14.111 -13.122 -2.200 38 HB1 ALA 6 1HB ALA 6 16.210 -12.314 -1.758 39 HB2 ALA 6 2HB ALA 6 16.323 -11.447 -3.292 40 HB3 ALA 6 3HB ALA 6 15.319 -10.811 -1.989 41 H ALA 7 H ALA 7 13.654 -12.030 -5.339 42 HA ALA 7 HA ALA 7 12.215 -10.617 -6.379 43 HB1 ALA 7 1HB ALA 7 10.660 -11.375 -3.927 44 HB2 ALA 7 2HB ALA 7 9.981 -10.340 -5.186 45 HB3 ALA 7 3HB ALA 7 10.496 -11.981 -5.577 46 H LYS 8 H LYS 8 14.134 -9.119 -5.523 47 HA LYS 8 HA LYS 8 13.385 -7.121 -3.624 48 HB2 LYS 8 2HB LYS 8 15.637 -7.024 -5.638 49 HB3 LYS 8 1HB LYS 8 15.492 -6.064 -4.173 50 HG2 LYS 8 2HG LYS 8 15.378 -8.573 -3.158 51 HG3 LYS 8 1HG LYS 8 16.442 -8.812 -4.546 52 HD2 LYS 8 2HD LYS 8 18.132 -7.728 -3.553 53 HD3 LYS 8 1HD LYS 8 17.083 -6.402 -3.047 54 HE2 LYS 8 2HE LYS 8 17.325 -7.151 -0.965 55 HE3 LYS 8 1HE LYS 8 16.321 -8.522 -1.436 56 HZ1 LYS 8 3HZ LYS 8 19.219 -8.368 -1.081 57 HZ2 LYS 8 1HZ LYS 8 18.635 -9.411 -2.287 58 HZ3 LYS 8 2HZ LYS 8 18.142 -9.613 -0.674 59 H ASN 9 H ASN 9 11.665 -5.914 -4.183 60 HA ASN 9 HA ASN 9 11.902 -4.250 -6.566 61 HB2 ASN 9 2HB ASN 9 9.738 -4.787 -7.416 62 HB3 ASN 9 1HB ASN 9 10.562 -6.316 -7.136 63 HD21 ASN 9 1HD2 ASN 9 10.052 -7.428 -5.076 64 HD22 ASN 9 2HD2 ASN 9 8.441 -7.296 -4.469 65 H ALA 10 H ALA 10 11.217 -4.510 -3.316 66 HA ALA 10 HA ALA 10 9.419 -2.183 -3.378 67 HB1 ALA 10 1HB ALA 10 9.441 -4.122 -1.101 68 HB2 ALA 10 2HB ALA 10 8.170 -3.010 -1.605 69 HB3 ALA 10 3HB ALA 10 8.507 -4.456 -2.558 70 H LYS 11 H LYS 11 9.862 -0.474 -2.109 71 HA LYS 11 HA LYS 11 12.051 -0.689 -0.147 72 HB2 LYS 11 2HB LYS 11 11.492 1.569 -2.071 73 HB3 LYS 11 1HB LYS 11 12.532 1.740 -0.667 74 HG2 LYS 11 2HG LYS 11 13.020 -0.320 -2.797 75 HG3 LYS 11 1HG LYS 11 13.698 1.307 -2.855 76 HD2 LYS 11 2HD LYS 11 15.375 0.611 -1.566 77 HD3 LYS 11 1HD LYS 11 14.216 0.326 -0.267 78 HE2 LYS 11 2HE LYS 11 14.073 -1.830 -2.125 79 HE3 LYS 11 1HE LYS 11 15.762 -1.561 -1.700 80 HZ1 LYS 11 3HZ LYS 11 13.697 -1.695 0.411 81 HZ2 LYS 11 1HZ LYS 11 15.363 -2.003 0.522 82 HZ3 LYS 11 2HZ LYS 11 14.341 -3.114 -0.245 83 H LEU 12 H LEU 12 9.541 1.564 -1.215 84 HA LEU 12 HA LEU 12 7.704 2.408 -0.207 85 HB2 LEU 12 2HB LEU 12 7.743 0.061 0.936 86 HB3 LEU 12 1HB LEU 12 8.289 0.955 2.341 87 HG LEU 12 HG LEU 12 5.794 0.463 2.151 88 HD11 LEU 12 1HD1 LEU 12 6.060 1.929 3.821 89 HD12 LEU 12 2HD1 LEU 12 7.185 2.923 2.893 90 HD13 LEU 12 3HD1 LEU 12 5.446 3.108 2.661 91 HD21 LEU 12 3HD2 LEU 12 5.881 1.311 -0.324 92 HD22 LEU 12 1HD2 LEU 12 4.460 1.613 0.677 93 HD23 LEU 12 2HD2 LEU 12 5.652 2.889 0.427 94 H ALA 13 H ALA 13 10.192 2.059 2.342 95 HA ALA 13 HA ALA 13 9.564 4.622 3.451 96 HB1 ALA 13 1HB ALA 13 11.780 4.179 4.709 97 HB2 ALA 13 2HB ALA 13 10.400 3.127 5.022 98 HB3 ALA 13 3HB ALA 13 11.699 2.584 3.962 99 H THR 14 H THR 14 12.102 3.338 1.378 100 HA THR 14 HA THR 14 13.575 5.793 1.267 101 HB THR 14 HB THR 14 14.062 3.800 -0.847 102 HG1 THR 14 1HG THR 14 14.430 3.120 1.911 103 HG21 THR 14 3HG2 THR 14 15.713 5.171 1.276 104 HG22 THR 14 1HG2 THR 14 15.716 5.475 -0.464 105 HG23 THR 14 2HG2 THR 14 16.374 3.967 0.169 106 H SER 15 H SER 15 10.670 5.125 0.028 107 HA SER 15 HA SER 15 10.886 6.183 -2.616 108 HB2 SER 15 2HB SER 15 8.448 6.116 -0.832 109 HB3 SER 15 1HB SER 15 8.479 6.244 -2.592 110 HG SER 15 HG SER 15 8.152 4.133 -2.281 111 H ALA 16 H ALA 16 10.706 7.503 0.563 112 HA ALA 16 HA ALA 16 10.860 9.614 1.382 113 HB1 ALA 16 1HB ALA 16 11.757 10.013 -1.421 114 HB2 ALA 16 2HB ALA 16 11.366 11.441 -0.465 115 HB3 ALA 16 3HB ALA 16 12.605 10.320 0.094 116 H ALA 17 H ALA 17 9.195 9.729 -1.747 117 HA ALA 17 HA ALA 17 7.382 11.777 -1.102 118 HB1 ALA 17 1HB ALA 17 6.882 11.554 -3.256 119 HB2 ALA 17 2HB ALA 17 7.993 10.184 -3.325 120 HB3 ALA 17 3HB ALA 17 6.280 9.918 -2.994 121 H PHE 18 H PHE 18 7.292 8.302 -0.622 122 HA PHE 18 HA PHE 18 4.558 8.209 0.183 123 HB2 PHE 18 2HB PHE 18 6.064 6.247 -0.600 124 HB3 PHE 18 1HB PHE 18 6.617 6.204 1.072 125 HD1 PHE 18 2HD PHE 18 5.115 5.543 2.867 126 HD2 PHE 18 1HD PHE 18 3.825 5.586 -1.191 127 HE1 PHE 18 2HE PHE 18 3.143 4.207 3.482 128 HE2 PHE 18 1HE PHE 18 1.854 4.250 -0.581 129 HZ PHE 18 HZ PHE 18 1.510 3.558 1.756 130 H ALA 19 H ALA 19 7.581 8.889 1.765 131 HA ALA 19 HA ALA 19 6.637 8.613 4.435 132 HB1 ALA 19 1HB ALA 19 8.824 8.782 4.765 133 HB2 ALA 19 2HB ALA 19 9.076 9.435 3.145 134 HB3 ALA 19 3HB ALA 19 8.675 10.516 4.481 135 H LYS 20 H LYS 20 6.291 11.064 2.021 136 HA LYS 20 HA LYS 20 5.627 13.237 3.725 137 HB2 LYS 20 2HB LYS 20 4.724 12.685 0.887 138 HB3 LYS 20 1HB LYS 20 4.593 14.226 1.719 139 HG2 LYS 20 2HG LYS 20 7.030 14.368 1.847 140 HG3 LYS 20 1HG LYS 20 7.160 12.823 1.006 141 HD2 LYS 20 2HD LYS 20 5.738 13.950 -0.824 142 HD3 LYS 20 1HD LYS 20 6.188 15.462 -0.036 143 HE2 LYS 20 2HE LYS 20 8.154 13.399 -1.016 144 HE3 LYS 20 1HE LYS 20 7.666 14.824 -1.936 145 HZ1 LYS 20 3HZ LYS 20 9.383 15.801 -0.927 146 HZ2 LYS 20 1HZ LYS 20 9.505 14.602 0.266 147 HZ3 LYS 20 2HZ LYS 20 8.393 15.872 0.446 148 H GLN 21 H GLN 21 3.931 10.481 2.504 149 HA GLN 21 HA GLN 21 1.274 11.287 2.961 150 HB2 GLN 21 2HB GLN 21 2.558 9.058 1.942 151 HB3 GLN 21 1HB GLN 21 1.811 8.447 3.410 152 HG2 GLN 21 2HG GLN 21 -0.318 9.628 2.485 153 HG3 GLN 21 1HG GLN 21 0.547 9.540 0.948 154 HE21 GLN 21 1HE2 GLN 21 0.357 7.732 -0.183 155 HE22 GLN 21 2HE2 GLN 21 -0.221 6.217 0.411 156 H ALA 22 H ALA 22 3.768 10.026 5.040 157 HA ALA 22 HA ALA 22 2.095 9.201 7.179 158 HB1 ALA 22 1HB ALA 22 4.699 8.802 6.542 159 HB2 ALA 22 2HB ALA 22 4.849 9.986 7.842 160 HB3 ALA 22 3HB ALA 22 3.998 8.467 8.127 161 H GLU 23 H GLU 23 3.224 12.265 6.139 162 HA GLU 23 HA GLU 23 2.536 13.442 8.745 163 HB2 GLU 23 2HB GLU 23 4.103 14.663 6.467 164 HB3 GLU 23 1HB GLU 23 3.771 15.432 8.013 165 HG2 GLU 23 2HG GLU 23 5.238 12.826 7.843 166 HG3 GLU 23 1HG GLU 23 6.066 14.371 7.658 167 H GLY 24 H GLY 24 1.681 13.284 5.396 168 HA2 GLY 24 1HA GLY 24 -0.021 15.598 5.403 169 HA3 GLY 24 2HA GLY 24 0.054 14.362 4.156 170 H THR 25 H THR 25 -0.391 12.252 6.220 171 HA THR 25 HA THR 25 -3.186 12.785 6.923 172 HB THR 25 HB THR 25 -3.132 10.094 6.142 173 HG1 THR 25 1HG THR 25 -1.242 10.546 4.912 174 HG21 THR 25 3HG2 THR 25 -4.946 10.690 4.902 175 HG22 THR 25 1HG2 THR 25 -4.169 12.133 4.260 176 HG23 THR 25 2HG2 THR 25 -4.818 12.140 5.898 177 H THR 26 H THR 26 -4.007 11.362 8.590 178 HA THR 26 HA THR 26 -1.907 10.598 10.426 179 HB THR 26 HB THR 26 -3.536 11.619 11.676 180 HG1 THR 26 1HG THR 26 -4.418 8.905 11.610 181 HG21 THR 26 3HG2 THR 26 -5.485 10.480 9.704 182 HG22 THR 26 1HG2 THR 26 -5.185 12.167 10.132 183 HG23 THR 26 2HG2 THR 26 -6.037 11.110 11.257 184 H CYS 27 H CYS 27 -0.975 8.779 9.606 185 HA CYS 27 HA CYS 27 -2.484 6.345 10.084 186 HB2 CYS 27 2HB CYS 27 -0.898 5.904 7.725 187 HB3 CYS 27 1HB CYS 27 -2.623 5.654 7.954 188 H ASN 28 H ASN 28 -1.264 4.835 11.059 189 HA ASN 28 HA ASN 28 1.400 5.589 11.863 190 HB2 ASN 28 2HB ASN 28 -0.457 4.442 13.283 191 HB3 ASN 28 1HB ASN 28 0.090 2.964 12.504 192 HD21 ASN 28 1HD2 ASN 28 0.356 2.631 14.934 193 HD22 ASN 28 2HD2 ASN 28 1.941 2.961 15.564 194 H VAL 29 H VAL 29 3.057 3.684 11.939 195 HA VAL 29 HA VAL 29 3.900 3.147 9.346 196 HB VAL 29 HB VAL 29 5.509 3.097 11.105 197 HG11 VAL 29 1HG1 VAL 29 5.413 1.908 13.042 198 HG12 VAL 29 2HG1 VAL 29 3.688 2.079 12.723 199 HG13 VAL 29 3HG1 VAL 29 4.514 0.575 12.315 200 HG21 VAL 29 3HG2 VAL 29 6.504 0.761 10.817 201 HG22 VAL 29 1HG2 VAL 29 5.113 0.431 9.784 202 HG23 VAL 29 2HG2 VAL 29 6.240 1.718 9.359 203 H GLY 30 H GLY 30 2.074 1.058 11.570 204 HA2 GLY 30 1HA GLY 30 1.850 -0.982 9.484 205 HA3 GLY 30 2HA GLY 30 1.341 -1.151 11.159 206 H SER 31 H SER 31 0.386 1.777 9.796 207 HA SER 31 HA SER 31 -2.228 0.693 9.019 208 HB2 SER 31 2HB SER 31 -2.294 3.344 10.295 209 HB3 SER 31 1HB SER 31 -3.377 1.967 10.497 210 HG SER 31 HG SER 31 -1.648 1.012 11.779 211 H ILE 32 H ILE 32 0.315 1.909 7.743 212 HA ILE 32 HA ILE 32 -1.069 3.901 6.093 213 HB ILE 32 HB ILE 32 1.235 4.342 7.266 214 HG12 ILE 32 2HG1 ILE 32 1.467 5.209 4.477 215 HG13 ILE 32 1HG1 ILE 32 -0.127 5.472 5.177 216 HG21 ILE 32 1HG2 ILE 32 3.110 3.921 5.588 217 HG22 ILE 32 2HG2 ILE 32 2.575 2.564 6.577 218 HG23 ILE 32 3HG2 ILE 32 2.051 2.691 4.899 219 HD11 ILE 32 3HD1 ILE 32 1.383 6.418 7.173 220 HD12 ILE 32 1HD1 ILE 32 2.450 6.755 5.807 221 HD13 ILE 32 2HD1 ILE 32 0.812 7.410 5.831 222 H ALA 33 H ALA 33 -1.383 3.523 3.926 223 HA ALA 33 HA ALA 33 -0.347 1.066 2.777 224 HB1 ALA 33 1HB ALA 33 -3.194 1.414 3.620 225 HB2 ALA 33 2HB ALA 33 -2.785 0.396 2.239 226 HB3 ALA 33 3HB ALA 33 -2.123 0.028 3.833 227 H CYS 34 H CYS 34 -1.468 0.672 0.612 228 HA CYS 34 HA CYS 34 -2.285 3.187 -0.670 229 HB2 CYS 34 2HB CYS 34 -0.325 1.120 -1.575 230 HB3 CYS 34 1HB CYS 34 -1.322 1.914 -2.789 231 H CYS 35 H CYS 35 -4.158 3.056 -1.807 232 HA CYS 35 HA CYS 35 -5.363 0.380 -2.029 233 HB2 CYS 35 2HB CYS 35 -6.417 2.537 -0.718 234 HB3 CYS 35 1HB CYS 35 -7.156 2.696 -2.308 235 H ASN 36 H ASN 36 -6.797 0.094 -3.938 236 HA ASN 36 HA ASN 36 -5.993 1.661 -6.245 237 HB2 ASN 36 2HB ASN 36 -4.134 0.189 -6.134 238 HB3 ASN 36 1HB ASN 36 -5.152 -1.196 -5.760 239 HD21 ASN 36 1HD2 ASN 36 -4.790 1.251 -8.314 240 HD22 ASN 36 2HD2 ASN 36 -4.972 0.145 -9.634 241 H SER 37 H SER 37 -7.139 1.064 -8.184 242 HA SER 37 HA SER 37 -9.848 0.717 -7.971 243 HB2 SER 37 2HB SER 37 -8.843 -0.361 -10.465 244 HB3 SER 37 1HB SER 37 -9.691 1.165 -10.169 245 HG SER 37 HG SER 37 -7.053 0.735 -10.626 246 HA PRO 38 HA PRO 38 -10.520 -3.499 -6.787 247 HB2 PRO 38 2HB PRO 38 -12.959 -3.190 -8.475 248 HB3 PRO 38 1HB PRO 38 -12.808 -3.758 -6.807 249 HG2 PRO 38 2HG PRO 38 -13.716 -1.321 -7.292 250 HG3 PRO 38 1HG PRO 38 -12.580 -1.597 -5.958 251 HD2 PRO 38 2HD PRO 38 -12.068 -0.430 -8.665 252 HD3 PRO 38 1HD PRO 38 -11.403 0.050 -7.089 253 H ALA 39 H ALA 39 -11.194 -2.668 -10.203 254 HA ALA 39 HA ALA 39 -11.005 -5.385 -11.074 255 HB1 ALA 39 1HB ALA 39 -10.564 -3.762 -13.303 256 HB2 ALA 39 2HB ALA 39 -12.095 -4.466 -12.781 257 HB3 ALA 39 3HB ALA 39 -11.649 -2.840 -12.261 258 H GLU 40 H GLU 40 -8.707 -3.193 -10.108 259 HA GLU 40 HA GLU 40 -6.594 -4.350 -11.781 260 HB2 GLU 40 2HB GLU 40 -7.106 -1.734 -10.786 261 HB3 GLU 40 1HB GLU 40 -5.648 -2.314 -9.998 262 HG2 GLU 40 2HG GLU 40 -4.787 -2.875 -12.303 263 HG3 GLU 40 1HG GLU 40 -6.152 -1.946 -12.930 264 H THR 41 H THR 41 -7.398 -3.559 -8.438 265 HA THR 41 HA THR 41 -5.349 -4.936 -7.131 266 HB THR 41 HB THR 41 -8.198 -4.494 -6.203 267 HG1 THR 41 1HG THR 41 -6.320 -2.730 -6.822 268 HG21 THR 41 3HG2 THR 41 -5.800 -4.579 -4.411 269 HG22 THR 41 1HG2 THR 41 -6.621 -6.071 -4.873 270 HG23 THR 41 2HG2 THR 41 -7.504 -4.808 -4.012 271 H ASN 42 H ASN 42 -8.454 -6.037 -8.364 272 HA ASN 42 HA ASN 42 -7.933 -8.749 -7.365 273 HB2 ASN 42 2HB ASN 42 -10.313 -7.136 -7.831 274 HB3 ASN 42 1HB ASN 42 -10.438 -8.742 -8.541 275 HD21 ASN 42 1HD2 ASN 42 -9.412 -7.176 -5.536 276 HD22 ASN 42 2HD2 ASN 42 -10.071 -8.379 -4.480 277 H ASN 43 H ASN 43 -6.871 -7.258 -9.835 278 HA ASN 43 HA ASN 43 -7.966 -8.447 -12.145 279 HB2 ASN 43 2HB ASN 43 -6.335 -6.430 -11.908 280 HB3 ASN 43 1HB ASN 43 -5.072 -7.651 -11.992 281 HD21 ASN 43 1HD2 ASN 43 -7.701 -6.121 -13.702 282 HD22 ASN 43 2HD2 ASN 43 -7.226 -6.641 -15.283 283 H ASP 44 H ASP 44 -5.276 -9.410 -10.065 284 HA ASP 44 HA ASP 44 -4.813 -11.798 -11.650 285 HB2 ASP 44 2HB ASP 44 -2.897 -10.575 -10.645 286 HB3 ASP 44 1HB ASP 44 -3.515 -10.978 -9.039 287 H SER 45 H SER 45 -5.284 -13.848 -11.054 288 HA SER 45 HA SER 45 -7.567 -14.315 -9.532 289 HB2 SER 45 2HB SER 45 -6.060 -16.709 -9.713 290 HB3 SER 45 1HB SER 45 -7.404 -16.189 -10.736 291 HG SER 45 HG SER 45 -4.751 -16.300 -11.309 292 H LEU 46 H LEU 46 -4.138 -14.598 -8.685 293 HA LEU 46 HA LEU 46 -4.835 -15.768 -6.103 294 HB2 LEU 46 2HB LEU 46 -2.758 -16.261 -7.789 295 HB3 LEU 46 1HB LEU 46 -2.014 -15.134 -6.669 296 HG LEU 46 HG LEU 46 -3.461 -17.139 -5.197 297 HD11 LEU 46 1HD1 LEU 46 -3.131 -18.535 -7.165 298 HD12 LEU 46 2HD1 LEU 46 -1.403 -18.188 -7.134 299 HD13 LEU 46 3HD1 LEU 46 -2.145 -19.092 -5.814 300 HD21 LEU 46 3HD2 LEU 46 -0.487 -16.971 -5.298 301 HD22 LEU 46 1HD2 LEU 46 -1.401 -15.591 -4.688 302 HD23 LEU 46 2HD2 LEU 46 -1.564 -17.166 -3.913 303 H LEU 47 H LEU 47 -4.044 -12.732 -7.483 304 HA LEU 47 HA LEU 47 -2.789 -11.418 -5.368 305 HB2 LEU 47 2HB LEU 47 -3.722 -10.695 -7.855 306 HB3 LEU 47 1HB LEU 47 -4.757 -9.774 -6.783 307 HG LEU 47 HG LEU 47 -1.810 -9.681 -6.315 308 HD11 LEU 47 1HD1 LEU 47 -3.034 -8.941 -8.806 309 HD12 LEU 47 2HD1 LEU 47 -2.419 -7.508 -7.979 310 HD13 LEU 47 3HD1 LEU 47 -1.339 -8.860 -8.324 311 HD21 LEU 47 3HD2 LEU 47 -4.201 -8.229 -5.544 312 HD22 LEU 47 1HD2 LEU 47 -2.607 -8.260 -4.792 313 HD23 LEU 47 2HD2 LEU 47 -2.929 -7.161 -6.132 314 H SER 48 H SER 48 -6.191 -12.112 -5.896 315 HA SER 48 HA SER 48 -7.249 -10.439 -3.900 316 HB2 SER 48 2HB SER 48 -8.343 -11.939 -5.837 317 HB3 SER 48 1HB SER 48 -8.625 -13.009 -4.455 318 HG SER 48 HG SER 48 -10.068 -10.951 -5.163 319 H GLY 49 H GLY 49 -5.644 -13.515 -3.702 320 HA2 GLY 49 1HA GLY 49 -6.342 -13.743 -0.849 321 HA3 GLY 49 2HA GLY 49 -5.568 -14.991 -1.816 322 H LEU 50 H LEU 50 -3.858 -12.727 -2.956 323 HA LEU 50 HA LEU 50 -1.588 -13.108 -1.336 324 HB2 LEU 50 2HB LEU 50 -2.043 -12.234 -3.857 325 HB3 LEU 50 1HB LEU 50 -1.685 -10.715 -3.061 326 HG LEU 50 HG LEU 50 0.437 -11.896 -2.198 327 HD11 LEU 50 1HD1 LEU 50 -0.639 -14.117 -3.225 328 HD12 LEU 50 2HD1 LEU 50 0.300 -13.581 -4.620 329 HD13 LEU 50 3HD1 LEU 50 1.100 -13.868 -3.073 330 HD21 LEU 50 3HD2 LEU 50 0.224 -11.369 -5.155 331 HD22 LEU 50 1HD2 LEU 50 0.338 -10.108 -3.924 332 HD23 LEU 50 2HD2 LEU 50 1.664 -11.250 -4.144 333 H LEU 51 H LEU 51 -4.005 -10.542 -1.484 334 HA LEU 51 HA LEU 51 -2.608 -8.780 0.269 335 HB2 LEU 51 2HB LEU 51 -5.033 -7.814 0.521 336 HB3 LEU 51 1HB LEU 51 -4.133 -7.603 -0.967 337 HG LEU 51 HG LEU 51 -5.501 -9.955 -1.415 338 HD11 LEU 51 1HD1 LEU 51 -7.623 -9.874 -0.567 339 HD12 LEU 51 2HD1 LEU 51 -6.733 -9.154 0.775 340 HD13 LEU 51 3HD1 LEU 51 -7.592 -8.121 -0.367 341 HD21 LEU 51 3HD2 LEU 51 -5.219 -7.486 -2.578 342 HD22 LEU 51 1HD2 LEU 51 -6.183 -8.817 -3.218 343 HD23 LEU 51 2HD2 LEU 51 -6.950 -7.559 -2.240 344 H GLY 52 H GLY 52 -4.862 -11.401 0.707 345 HA2 GLY 52 1HA GLY 52 -5.472 -10.693 3.444 346 HA3 GLY 52 2HA GLY 52 -6.051 -12.106 2.571 347 H ALA 53 H ALA 53 -2.806 -10.893 3.417 348 HA ALA 53 HA ALA 53 -1.846 -13.519 4.013 349 HB1 ALA 53 1HB ALA 53 0.115 -12.503 3.733 350 HB2 ALA 53 2HB ALA 53 -0.721 -10.957 3.582 351 HB3 ALA 53 3HB ALA 53 -0.167 -11.513 5.164 352 H GLY 54 H GLY 54 -3.280 -10.943 5.800 353 HA2 GLY 54 1HA GLY 54 -3.208 -12.610 8.220 354 HA3 GLY 54 2HA GLY 54 -2.739 -10.915 8.318 355 H LEU 55 H LEU 55 -4.279 -9.329 8.257 356 HA LEU 55 HA LEU 55 -7.077 -10.210 8.025 357 HB2 LEU 55 2HB LEU 55 -5.842 -9.433 10.386 358 HB3 LEU 55 1HB LEU 55 -6.679 -7.984 9.862 359 HG LEU 55 HG LEU 55 -7.995 -10.678 10.253 360 HD11 LEU 55 1HD1 LEU 55 -7.043 -9.279 12.277 361 HD12 LEU 55 2HD1 LEU 55 -8.511 -8.337 12.005 362 HD13 LEU 55 3HD1 LEU 55 -8.625 -10.061 12.358 363 HD21 LEU 55 3HD2 LEU 55 -9.508 -8.135 10.189 364 HD22 LEU 55 1HD2 LEU 55 -8.894 -8.741 8.650 365 HD23 LEU 55 2HD2 LEU 55 -9.967 -9.742 9.628 366 H LEU 56 H LEU 56 -6.116 -9.294 5.806 367 HA LEU 56 HA LEU 56 -6.245 -6.423 5.648 368 HB2 LEU 56 2HB LEU 56 -4.910 -8.092 4.118 369 HB3 LEU 56 1HB LEU 56 -6.411 -8.127 3.214 370 HG LEU 56 HG LEU 56 -5.499 -5.421 3.857 371 HD11 LEU 56 1HD1 LEU 56 -3.424 -7.031 3.291 372 HD12 LEU 56 2HD1 LEU 56 -3.934 -6.599 1.660 373 HD13 LEU 56 3HD1 LEU 56 -3.510 -5.335 2.813 374 HD21 LEU 56 3HD2 LEU 56 -5.804 -6.131 1.065 375 HD22 LEU 56 1HD2 LEU 56 -7.181 -6.656 2.035 376 HD23 LEU 56 2HD2 LEU 56 -6.695 -4.960 2.040 377 H ASN 57 H ASN 57 -8.119 -5.649 6.099 378 HA ASN 57 HA ASN 57 -10.559 -6.697 4.942 379 HB2 ASN 57 2HB ASN 57 -11.545 -4.704 6.234 380 HB3 ASN 57 1HB ASN 57 -10.852 -6.021 7.178 381 HD21 ASN 57 1HD2 ASN 57 -10.615 -2.737 6.280 382 HD22 ASN 57 2HD2 ASN 57 -9.277 -2.330 7.293 383 H GLY 58 H GLY 58 -12.068 -4.867 4.063 384 HA2 GLY 58 1HA GLY 58 -10.544 -3.765 1.830 385 HA3 GLY 58 2HA GLY 58 -12.283 -4.016 1.876 386 H LEU 59 H LEU 59 -12.436 -1.890 0.988 387 HA LEU 59 HA LEU 59 -11.484 0.424 2.309 388 HB2 LEU 59 2HB LEU 59 -13.013 -0.234 -0.046 389 HB3 LEU 59 1HB LEU 59 -13.746 1.120 0.792 390 HG LEU 59 HG LEU 59 -11.114 0.951 -0.596 391 HD11 LEU 59 1HD1 LEU 59 -11.796 2.970 -1.581 392 HD12 LEU 59 2HD1 LEU 59 -13.255 1.981 -1.505 393 HD13 LEU 59 3HD1 LEU 59 -13.004 3.270 -0.329 394 HD21 LEU 59 3HD2 LEU 59 -10.006 1.887 1.096 395 HD22 LEU 59 1HD2 LEU 59 -10.984 3.329 0.812 396 HD23 LEU 59 2HD2 LEU 59 -11.486 2.144 2.021 397 H SER 60 H SER 60 -12.763 2.098 3.272 398 HA SER 60 HA SER 60 -14.296 1.384 5.436 399 HB2 SER 60 2HB SER 60 -15.061 3.940 5.095 400 HB3 SER 60 1HB SER 60 -13.461 3.496 5.687 401 HG SER 60 HG SER 60 -14.240 4.488 3.188 402 H GLY 61 H GLY 61 -15.899 -0.083 4.747 403 HA2 GLY 61 1HA GLY 61 -18.204 -0.428 4.595 404 HA3 GLY 61 2HA GLY 61 -18.399 1.246 4.099 405 H ASN 62 H ASN 62 -15.965 -0.236 2.297 406 HA ASN 62 HA ASN 62 -17.887 -0.813 0.134 407 HB2 ASN 62 2HB ASN 62 -16.364 1.288 -0.051 408 HB3 ASN 62 1HB ASN 62 -15.090 0.130 -0.421 409 HD21 ASN 62 1HD2 ASN 62 -14.756 0.063 -2.522 410 HD22 ASN 62 2HD2 ASN 62 -15.980 0.065 -3.741 411 H THR 63 H THR 63 -17.980 -2.974 0.167 412 HA THR 63 HA THR 63 -15.685 -4.648 0.446 413 HB THR 63 HB THR 63 -18.115 -5.747 -0.849 414 HG1 THR 63 1HG THR 63 -18.704 -5.561 1.732 415 HG21 THR 63 3HG2 THR 63 -17.649 -7.125 1.470 416 HG22 THR 63 1HG2 THR 63 -16.036 -6.549 1.056 417 HG23 THR 63 2HG2 THR 63 -16.947 -7.522 -0.098 418 H GLY 64 H GLY 64 -14.152 -4.489 -1.112 419 HA2 GLY 64 1HA GLY 64 -14.230 -5.685 -3.517 420 HA3 GLY 64 2HA GLY 64 -14.889 -4.099 -3.890 421 H SER 65 H SER 65 -13.473 -2.283 -2.777 422 HA SER 65 HA SER 65 -10.868 -2.496 -3.946 423 HB2 SER 65 2HB SER 65 -11.286 -0.192 -2.207 424 HB3 SER 65 1HB SER 65 -10.962 -0.243 -3.940 425 HG SER 65 HG SER 65 -12.972 0.365 -4.102 426 H ALA 66 H ALA 66 -9.146 -3.295 -2.974 427 HA ALA 66 HA ALA 66 -9.106 -3.382 -0.034 428 HB1 ALA 66 1HB ALA 66 -7.800 -5.284 -1.979 429 HB2 ALA 66 2HB ALA 66 -7.712 -5.383 -0.221 430 HB3 ALA 66 3HB ALA 66 -9.258 -5.609 -1.043 431 H CYS 67 H CYS 67 -7.365 -2.565 1.006 432 HA CYS 67 HA CYS 67 -5.232 -1.463 -0.707 433 HB2 CYS 67 2HB CYS 67 -5.612 -0.233 1.953 434 HB3 CYS 67 1HB CYS 67 -5.266 0.522 0.406 435 H ALA 68 H ALA 68 -3.164 -1.991 -0.211 436 HA ALA 68 HA ALA 68 -2.849 -3.844 2.042 437 HB1 ALA 68 1HB ALA 68 -0.826 -3.587 -0.140 438 HB2 ALA 68 2HB ALA 68 -1.204 -4.974 0.881 439 HB3 ALA 68 3HB ALA 68 -2.310 -4.502 -0.409 440 H LYS 69 H LYS 69 -1.588 -3.373 3.672 441 HA LYS 69 HA LYS 69 -0.559 -0.719 3.923 442 HB2 LYS 69 2HB LYS 69 0.360 -2.181 6.115 443 HB3 LYS 69 1HB LYS 69 -1.091 -1.190 6.043 444 HG2 LYS 69 2HG LYS 69 -1.262 -3.988 5.060 445 HG3 LYS 69 1HG LYS 69 -1.167 -3.717 6.801 446 HD2 LYS 69 2HD LYS 69 -3.234 -2.787 6.905 447 HD3 LYS 69 1HD LYS 69 -3.090 -2.030 5.316 448 HE2 LYS 69 2HE LYS 69 -4.178 -3.697 4.335 449 HE3 LYS 69 1HE LYS 69 -3.138 -4.904 5.092 450 HZ1 LYS 69 3HZ LYS 69 -4.997 -3.772 6.945 451 HZ2 LYS 69 1HZ LYS 69 -4.705 -5.402 6.563 452 HZ3 LYS 69 2HZ LYS 69 -5.783 -4.481 5.627 453 H ALA 70 H ALA 70 1.677 -0.396 4.872 454 HA ALA 70 HA ALA 70 3.596 -1.136 2.988 455 HB1 ALA 70 1HB ALA 70 3.517 0.402 5.411 456 HB2 ALA 70 2HB ALA 70 5.011 -0.530 5.311 457 HB3 ALA 70 3HB ALA 70 4.568 0.568 4.004 458 H SER 71 H SER 71 2.652 -2.718 5.971 459 HA SER 71 HA SER 71 4.922 -4.422 6.165 460 HB2 SER 71 2HB SER 71 2.603 -5.605 7.360 461 HB3 SER 71 1HB SER 71 3.978 -4.845 8.159 462 HG SER 71 HG SER 71 2.383 -3.554 8.768 463 H LEU 72 H LEU 72 1.779 -4.569 4.638 464 HA LEU 72 HA LEU 72 2.012 -7.310 3.836 465 HB2 LEU 72 2HB LEU 72 -0.040 -5.464 4.011 466 HB3 LEU 72 1HB LEU 72 0.178 -5.656 2.281 467 HG LEU 72 HG LEU 72 -1.512 -7.184 3.006 468 HD11 LEU 72 1HD1 LEU 72 -0.503 -8.345 1.364 469 HD12 LEU 72 2HD1 LEU 72 1.096 -8.178 2.092 470 HD13 LEU 72 3HD1 LEU 72 -0.022 -9.405 2.691 471 HD21 LEU 72 3HD2 LEU 72 0.438 -8.543 4.823 472 HD22 LEU 72 1HD2 LEU 72 -0.555 -7.206 5.405 473 HD23 LEU 72 2HD2 LEU 72 -1.319 -8.670 4.786 474 H ILE 73 H ILE 73 2.712 -4.170 2.463 475 HA ILE 73 HA ILE 73 3.173 -4.953 -0.181 476 HB ILE 73 HB ILE 73 4.012 -2.645 1.499 477 HG12 ILE 73 2HG1 ILE 73 3.101 -2.366 -1.306 478 HG13 ILE 73 1HG1 ILE 73 1.954 -3.099 -0.194 479 HG21 ILE 73 1HG2 ILE 73 6.061 -2.574 0.552 480 HG22 ILE 73 2HG2 ILE 73 5.599 -3.642 -0.772 481 HG23 ILE 73 3HG2 ILE 73 5.182 -1.927 -0.834 482 HD11 ILE 73 3HD1 ILE 73 2.937 -0.335 -0.362 483 HD12 ILE 73 1HD1 ILE 73 1.355 -0.958 0.107 484 HD13 ILE 73 2HD1 ILE 73 2.690 -0.980 1.261 485 H ASP 74 H ASP 74 5.207 -4.979 2.681 486 HA ASP 74 HA ASP 74 7.544 -5.962 1.334 487 HB2 ASP 74 2HB ASP 74 7.776 -4.645 3.366 488 HB3 ASP 74 1HB ASP 74 6.823 -5.816 4.272 489 H GLN 75 H GLN 75 4.711 -7.371 2.693 490 HA GLN 75 HA GLN 75 5.863 -9.925 3.290 491 HB2 GLN 75 2HB GLN 75 3.471 -8.602 3.900 492 HB3 GLN 75 1HB GLN 75 2.998 -10.007 2.953 493 HG2 GLN 75 2HG GLN 75 2.972 -10.902 5.044 494 HG3 GLN 75 1HG GLN 75 4.638 -11.251 4.581 495 HE21 GLN 75 1HE2 GLN 75 5.881 -8.873 4.932 496 HE22 GLN 75 2HE2 GLN 75 5.808 -8.400 6.585 497 H LEU 76 H LEU 76 3.625 -8.775 0.753 498 HA LEU 76 HA LEU 76 4.181 -11.300 -0.664 499 HB2 LEU 76 2HB LEU 76 1.668 -9.836 -0.143 500 HB3 LEU 76 1HB LEU 76 1.830 -10.566 -1.728 501 HG LEU 76 HG LEU 76 0.735 -12.210 -0.501 502 HD11 LEU 76 1HD1 LEU 76 3.434 -12.672 -1.202 503 HD12 LEU 76 2HD1 LEU 76 3.112 -13.543 0.295 504 HD13 LEU 76 3HD1 LEU 76 2.107 -13.832 -1.125 505 HD21 LEU 76 3HD2 LEU 76 2.646 -11.908 1.796 506 HD22 LEU 76 1HD2 LEU 76 1.124 -11.022 1.692 507 HD23 LEU 76 2HD2 LEU 76 1.115 -12.785 1.756 508 H GLY 77 H GLY 77 4.040 -7.838 -0.922 509 HA2 GLY 77 1HA GLY 77 5.013 -6.512 -2.565 510 HA3 GLY 77 2HA GLY 77 5.476 -7.979 -3.416 511 H LEU 78 H LEU 78 2.346 -6.620 -2.474 512 HA LEU 78 HA LEU 78 1.142 -7.348 -4.961 513 HB2 LEU 78 2HB LEU 78 0.045 -5.496 -2.851 514 HB3 LEU 78 1HB LEU 78 -0.863 -6.356 -4.079 515 HG LEU 78 HG LEU 78 0.385 -8.404 -2.735 516 HD11 LEU 78 1HD1 LEU 78 -0.383 -7.770 -0.328 517 HD12 LEU 78 2HD1 LEU 78 1.209 -7.279 -0.907 518 HD13 LEU 78 3HD1 LEU 78 -0.115 -6.116 -0.888 519 HD21 LEU 78 3HD2 LEU 78 -1.896 -8.441 -3.466 520 HD22 LEU 78 1HD2 LEU 78 -1.857 -8.755 -1.731 521 HD23 LEU 78 2HD2 LEU 78 -2.328 -7.165 -2.328 522 H LEU 79 H LEU 79 2.182 -6.285 -6.610 523 HA LEU 79 HA LEU 79 2.688 -3.467 -6.535 524 HB2 LEU 79 2HB LEU 79 2.760 -4.590 -9.194 525 HB3 LEU 79 1HB LEU 79 4.055 -3.887 -8.245 526 HG LEU 79 HG LEU 79 3.735 -6.361 -7.081 527 HD11 LEU 79 1HD1 LEU 79 3.231 -6.564 -10.041 528 HD12 LEU 79 2HD1 LEU 79 3.832 -7.906 -9.067 529 HD13 LEU 79 3HD1 LEU 79 2.250 -7.207 -8.724 530 HD21 LEU 79 3HD2 LEU 79 5.585 -5.512 -9.306 531 HD22 LEU 79 1HD2 LEU 79 5.847 -5.298 -7.574 532 HD23 LEU 79 2HD2 LEU 79 5.819 -6.918 -8.268 533 H ALA 80 H ALA 80 -0.158 -4.942 -6.750 534 HA ALA 80 HA ALA 80 -1.387 -3.762 -9.010 535 HB1 ALA 80 1HB ALA 80 -3.030 -4.272 -6.594 536 HB2 ALA 80 2HB ALA 80 -3.309 -4.732 -8.274 537 HB3 ALA 80 3HB ALA 80 -2.171 -5.647 -7.287 538 H LEU 81 H LEU 81 -1.080 -2.778 -5.634 539 HA LEU 81 HA LEU 81 -2.492 -0.290 -6.191 540 HB2 LEU 81 2HB LEU 81 -1.789 -0.132 -3.573 541 HB3 LEU 81 1HB LEU 81 -3.303 -0.781 -4.172 542 HG LEU 81 HG LEU 81 -1.303 -2.844 -4.168 543 HD11 LEU 81 1HD1 LEU 81 -1.116 -0.973 -1.991 544 HD12 LEU 81 2HD1 LEU 81 -1.639 -2.555 -1.405 545 HD13 LEU 81 3HD1 LEU 81 -0.140 -2.403 -2.329 546 HD21 LEU 81 3HD2 LEU 81 -3.016 -4.073 -3.317 547 HD22 LEU 81 1HD2 LEU 81 -3.571 -2.773 -2.260 548 HD23 LEU 81 2HD2 LEU 81 -3.938 -2.725 -3.987 549 H VAL 82 H VAL 82 0.533 -1.276 -6.619 550 HA VAL 82 HA VAL 82 1.738 1.211 -5.610 551 HB VAL 82 HB VAL 82 3.222 -1.353 -6.206 552 HG11 VAL 82 1HG1 VAL 82 4.104 1.262 -5.777 553 HG12 VAL 82 2HG1 VAL 82 4.410 0.409 -4.264 554 HG13 VAL 82 3HG1 VAL 82 5.078 -0.208 -5.775 555 HG21 VAL 82 3HG2 VAL 82 2.460 -2.213 -4.308 556 HG22 VAL 82 1HG2 VAL 82 3.197 -0.871 -3.436 557 HG23 VAL 82 2HG2 VAL 82 1.525 -0.753 -3.981 558 H ASP 83 H ASP 83 2.792 2.494 -6.980 559 HA ASP 83 HA ASP 83 3.368 1.501 -9.692 560 HB2 ASP 83 2HB ASP 83 1.342 3.111 -9.480 561 HB3 ASP 83 1HB ASP 83 2.556 4.358 -9.160 562 H HIS 84 H HIS 84 5.090 2.927 -10.757 563 HA HIS 84 HA HIS 84 7.057 3.563 -8.658 564 HB2 HIS 84 2HB HIS 84 7.310 1.696 -10.620 565 HB3 HIS 84 1HB HIS 84 8.072 3.090 -11.381 566 HD1 HIS 84 1HD HIS 84 10.014 4.259 -9.794 567 HD2 HIS 84 2HD HIS 84 8.945 0.325 -8.968 568 HE1 HIS 84 1HE HIS 84 11.845 3.354 -8.339 569 HE2 HIS 84 2HE HIS 84 11.303 0.899 -8.060 570 H THR 85 H THR 85 8.015 5.488 -8.589 571 HA THR 85 HA THR 85 7.568 7.349 -10.834 572 HB THR 85 HB THR 85 7.937 9.110 -8.942 573 HG1 THR 85 1HG THR 85 6.812 7.023 -7.375 574 HG21 THR 85 3HG2 THR 85 5.634 7.854 -10.048 575 HG22 THR 85 1HG2 THR 85 5.801 9.500 -9.437 576 HG23 THR 85 2HG2 THR 85 5.310 8.200 -8.348 577 H GLU 86 H GLU 86 9.228 9.350 -10.198 578 HA GLU 86 HA GLU 86 11.845 8.391 -10.702 579 HB2 GLU 86 2HB GLU 86 11.343 11.105 -9.522 580 HB3 GLU 86 1HB GLU 86 12.488 10.631 -10.767 581 HG2 GLU 86 2HG GLU 86 10.992 11.760 -12.044 582 HG3 GLU 86 1HG GLU 86 10.277 10.153 -12.127 583 H GLU 87 H GLU 87 10.094 9.277 -7.813 584 HA GLU 87 HA GLU 87 12.314 9.212 -6.038 585 HB2 GLU 87 2HB GLU 87 9.349 9.279 -5.762 586 HB3 GLU 87 1HB GLU 87 10.309 8.818 -4.363 587 HG2 GLU 87 2HG GLU 87 10.625 10.954 -3.922 588 HG3 GLU 87 1HG GLU 87 11.534 11.102 -5.427 589 H GLY 88 H GLY 88 9.630 6.923 -6.609 590 HA2 GLY 88 1HA GLY 88 11.103 4.603 -6.687 591 HA3 GLY 88 2HA GLY 88 10.849 4.910 -4.974 592 HA PRO 89 HA PRO 89 7.118 2.518 -6.218 593 HB2 PRO 89 2HB PRO 89 7.384 1.470 -3.496 594 HB3 PRO 89 1HB PRO 89 7.318 0.590 -5.025 595 HG2 PRO 89 2HG PRO 89 9.571 0.756 -3.545 596 HG3 PRO 89 1HG PRO 89 9.601 0.663 -5.314 597 HD2 PRO 89 2HD PRO 89 9.923 3.057 -3.538 598 HD3 PRO 89 1HD PRO 89 10.807 2.633 -5.022 599 H VAL 90 H VAL 90 5.287 3.631 -5.991 600 HA VAL 90 HA VAL 90 4.698 4.945 -3.424 601 HB VAL 90 HB VAL 90 3.726 6.842 -4.925 602 HG11 VAL 90 1HG1 VAL 90 5.327 7.729 -3.613 603 HG12 VAL 90 2HG1 VAL 90 6.431 6.378 -3.880 604 HG13 VAL 90 3HG1 VAL 90 6.311 7.669 -5.076 605 HG21 VAL 90 3HG2 VAL 90 4.119 5.714 -7.067 606 HG22 VAL 90 1HG2 VAL 90 4.998 7.242 -6.977 607 HG23 VAL 90 2HG2 VAL 90 5.856 5.718 -6.750 608 H CYS 91 H CYS 91 2.355 6.093 -3.886 609 HA CYS 91 HA CYS 91 0.577 3.884 -4.081 610 HB2 CYS 91 2HB CYS 91 0.436 6.650 -3.244 611 HB3 CYS 91 1HB CYS 91 -0.964 6.220 -4.221 612 H LYS 92 H LYS 92 -0.410 3.079 -5.783 613 HA LYS 92 HA LYS 92 0.167 4.027 -8.381 614 HB2 LYS 92 2HB LYS 92 -0.129 1.689 -8.029 615 HB3 LYS 92 1HB LYS 92 -1.724 1.927 -7.335 616 HG2 LYS 92 2HG LYS 92 -2.050 1.079 -9.497 617 HG3 LYS 92 1HG LYS 92 -2.447 2.794 -9.585 618 HD2 LYS 92 2HD LYS 92 -0.624 3.273 -10.873 619 HD3 LYS 92 1HD LYS 92 0.338 1.971 -10.177 620 HE2 LYS 92 2HE LYS 92 -1.860 1.733 -12.219 621 HE3 LYS 92 1HE LYS 92 -0.143 1.407 -12.450 622 HZ1 LYS 92 3HZ LYS 92 -2.109 -0.396 -11.717 623 HZ2 LYS 92 1HZ LYS 92 -1.172 -0.157 -10.320 624 HZ3 LYS 92 2HZ LYS 92 -0.436 -0.662 -11.755 625 H ASN 93 H ASN 93 -2.708 4.300 -6.321 626 HA ASN 93 HA ASN 93 -3.818 6.179 -8.240 627 HB2 ASN 93 2HB ASN 93 -4.672 3.458 -8.113 628 HB3 ASN 93 1HB ASN 93 -5.989 4.492 -7.572 629 HD21 ASN 93 1HD2 ASN 93 -4.537 3.129 -10.214 630 HD22 ASN 93 2HD2 ASN 93 -5.171 4.157 -11.443 631 H ILE 94 H ILE 94 -4.873 4.346 -5.340 632 HA ILE 94 HA ILE 94 -6.075 6.855 -4.396 633 HB ILE 94 HB ILE 94 -6.863 4.210 -3.256 634 HG12 ILE 94 2HG1 ILE 94 -8.056 5.316 -5.807 635 HG13 ILE 94 1HG1 ILE 94 -6.894 3.994 -5.767 636 HG21 ILE 94 1HG2 ILE 94 -9.102 5.723 -3.617 637 HG22 ILE 94 2HG2 ILE 94 -8.131 5.673 -2.147 638 HG23 ILE 94 3HG2 ILE 94 -7.867 6.951 -3.334 639 HD11 ILE 94 3HD1 ILE 94 -9.728 3.931 -5.398 640 HD12 ILE 94 1HD1 ILE 94 -8.588 2.596 -5.560 641 HD13 ILE 94 2HD1 ILE 94 -8.916 3.285 -3.972 642 H VAL 95 H VAL 95 -5.151 7.808 -2.741 643 HA VAL 95 HA VAL 95 -3.314 6.375 -1.021 644 HB VAL 95 HB VAL 95 -2.432 8.472 -1.396 645 HG11 VAL 95 1HG1 VAL 95 -4.637 10.264 -0.849 646 HG12 VAL 95 2HG1 VAL 95 -3.555 10.192 -2.239 647 HG13 VAL 95 3HG1 VAL 95 -4.988 9.164 -2.181 648 HG21 VAL 95 3HG2 VAL 95 -3.876 8.369 1.175 649 HG22 VAL 95 1HG2 VAL 95 -2.158 8.586 0.843 650 HG23 VAL 95 2HG2 VAL 95 -3.266 9.949 0.691 651 H ALA 96 H ALA 96 -3.798 5.566 0.917 652 HA ALA 96 HA ALA 96 -6.086 6.491 2.423 653 HB1 ALA 96 1HB ALA 96 -7.221 4.990 0.939 654 HB2 ALA 96 2HB ALA 96 -6.009 3.734 1.196 655 HB3 ALA 96 3HB ALA 96 -7.095 4.197 2.509 656 H CYS 97 H CYS 97 -6.075 5.697 4.589 657 HA CYS 97 HA CYS 97 -3.525 4.444 5.344 658 HB2 CYS 97 2HB CYS 97 -5.447 5.771 7.257 659 HB3 CYS 97 1HB CYS 97 -3.737 5.426 7.488 660 H CYS 98 H CYS 98 -3.684 2.356 5.510 661 HA CYS 98 HA CYS 98 -6.197 1.184 6.496 662 HB2 CYS 98 2HB CYS 98 -5.910 0.807 4.090 663 HB3 CYS 98 1HB CYS 98 -4.325 0.103 4.384 664 HA PRO 99 HA PRO 99 -3.342 -0.605 9.469 665 HB2 PRO 99 2HB PRO 99 -5.645 -1.505 10.918 666 HB3 PRO 99 1HB PRO 99 -4.550 -0.188 11.340 667 HG2 PRO 99 2HG PRO 99 -7.189 0.091 10.614 668 HG3 PRO 99 1HG PRO 99 -5.971 1.377 10.517 669 HD2 PRO 99 2HD PRO 99 -7.082 -0.360 8.360 670 HD3 PRO 99 1HD PRO 99 -6.565 1.338 8.287 671 H GLU 100 H GLU 100 -2.778 -2.736 9.996 672 HA GLU 100 HA GLU 100 -4.128 -4.843 8.522 673 HB2 GLU 100 2HB GLU 100 -1.489 -4.433 9.480 674 HB3 GLU 100 1HB GLU 100 -2.123 -5.855 10.294 675 HG2 GLU 100 2HG GLU 100 -1.796 -5.396 7.348 676 HG3 GLU 100 1HG GLU 100 -1.045 -6.637 8.352 677 H GLY 101 H GLY 101 -6.036 -5.362 9.455 678 HA2 GLY 101 1HA GLY 101 -7.004 -6.840 11.136 679 HA3 GLY 101 2HA GLY 101 -5.934 -6.083 12.303 680 H THR 102 H THR 102 -8.561 -5.216 10.057 681 HA THR 102 HA THR 102 -9.766 -3.653 12.201 682 HB THR 102 HB THR 102 -10.103 -1.956 10.042 683 HG1 THR 102 1HG THR 102 -8.219 -3.311 9.186 684 HG21 THR 102 3HG2 THR 102 -7.901 -1.653 12.066 685 HG22 THR 102 1HG2 THR 102 -9.605 -1.485 12.493 686 HG23 THR 102 2HG2 THR 102 -8.877 -0.394 11.313 687 H THR 103 H THR 103 -11.873 -2.569 11.182 688 HA THR 103 HA THR 103 -13.413 -4.669 9.926 689 HB THR 103 HB THR 103 -14.276 -1.831 10.494 690 HG1 THR 103 1HG THR 103 -15.074 -2.747 12.504 691 HG21 THR 103 3HG2 THR 103 -16.227 -3.965 10.816 692 HG22 THR 103 1HG2 THR 103 -15.568 -3.905 9.182 693 HG23 THR 103 2HG2 THR 103 -16.333 -2.477 9.874 694 H ASN 104 H ASN 104 -12.400 -1.365 9.155 695 HA ASN 104 HA ASN 104 -11.981 -2.147 6.418 696 HB2 ASN 104 2HB ASN 104 -13.329 -0.245 5.503 697 HB3 ASN 104 1HB ASN 104 -14.288 -1.545 6.198 698 HD21 ASN 104 1HD2 ASN 104 -15.901 -0.904 7.386 699 HD22 ASN 104 2HD2 ASN 104 -15.996 0.577 8.270 700 H CYS 105 H CYS 105 -10.940 -0.394 5.171 701 HA CYS 105 HA CYS 105 -9.389 1.366 6.969 702 HB2 CYS 105 2HB CYS 105 -8.621 0.389 4.206 703 HB3 CYS 105 1HB CYS 105 -7.598 1.250 5.349 704 H VAL 106 H VAL 106 -9.181 3.570 6.344 705 HA VAL 106 HA VAL 106 -11.396 4.375 4.618 706 HB VAL 106 HB VAL 106 -11.898 5.793 6.236 707 HG11 VAL 106 1HG1 VAL 106 -9.891 4.266 7.462 708 HG12 VAL 106 2HG1 VAL 106 -9.624 5.939 7.952 709 HG13 VAL 106 3HG1 VAL 106 -11.191 5.177 8.226 710 HG21 VAL 106 3HG2 VAL 106 -10.940 7.624 5.230 711 HG22 VAL 106 1HG2 VAL 106 -10.167 7.660 6.813 712 HG23 VAL 106 2HG2 VAL 106 -9.297 7.013 5.423 713 H ALA 107 H ALA 107 -11.154 5.384 2.772 714 HA ALA 107 HA ALA 107 -8.502 6.110 1.831 715 HB1 ALA 107 1HB ALA 107 -9.308 5.844 -0.247 716 HB2 ALA 107 2HB ALA 107 -10.660 5.040 0.551 717 HB3 ALA 107 3HB ALA 107 -10.785 6.742 0.106 718 H VAL 108 H VAL 108 -7.770 8.164 1.648 719 HA VAL 108 HA VAL 108 -9.535 10.212 2.814 720 HB VAL 108 HB VAL 108 -7.134 11.328 3.149 721 HG11 VAL 108 1HG1 VAL 108 -8.989 10.545 4.795 722 HG12 VAL 108 2HG1 VAL 108 -7.905 9.185 5.083 723 HG13 VAL 108 3HG1 VAL 108 -7.358 10.834 5.390 724 HG21 VAL 108 3HG2 VAL 108 -5.733 9.264 4.024 725 HG22 VAL 108 1HG2 VAL 108 -6.630 8.426 2.758 726 HG23 VAL 108 2HG2 VAL 108 -5.622 9.814 2.354 727 H ASP 109 H ASP 109 -9.232 9.487 -0.081 728 HA ASP 109 HA ASP 109 -7.853 11.724 -1.236 729 HB2 ASP 109 2HB ASP 109 -8.480 10.854 -3.371 730 HB3 ASP 109 1HB ASP 109 -8.052 9.483 -2.357 731 H ASN 110 H ASN 110 -11.272 10.743 -1.145 732 HA ASN 110 HA ASN 110 -13.193 11.909 -0.970 733 HB2 ASN 110 2HB ASN 110 -11.253 13.858 0.100 734 HB3 ASN 110 1HB ASN 110 -12.803 14.515 -0.420 735 HD21 ASN 110 1HD2 ASN 110 -11.155 12.537 1.874 736 HD22 ASN 110 2HD2 ASN 110 -12.489 12.290 2.944 737 H ALA 111 H ALA 111 -10.804 13.912 -2.565 738 HA ALA 111 HA ALA 111 -12.635 14.218 -4.841 739 HB1 ALA 111 1HB ALA 111 -11.194 16.515 -4.971 740 HB2 ALA 111 2HB ALA 111 -12.791 16.383 -4.236 741 HB3 ALA 111 3HB ALA 111 -11.346 16.310 -3.225 742 H GLY 112 H GLY 112 -9.299 15.124 -4.021 743 HA2 GLY 112 1HA GLY 112 -7.953 13.188 -5.468 744 HA3 GLY 112 2HA GLY 112 -8.321 14.469 -6.613 745 H ALA 113 H ALA 113 -6.527 13.613 -3.743 746 HA ALA 113 HA ALA 113 -5.236 16.178 -3.535 747 HB1 ALA 113 1HB ALA 113 -3.693 14.516 -2.042 748 HB2 ALA 113 2HB ALA 113 -5.146 15.324 -1.455 749 HB3 ALA 113 3HB ALA 113 -5.234 13.660 -2.027 750 H GLY 114 H GLY 114 -3.546 13.103 -3.646 751 HA2 GLY 114 1HA GLY 114 -2.391 13.534 -6.228 752 HA3 GLY 114 2HA GLY 114 -1.274 13.913 -4.922 753 H THR 115 H THR 115 -0.189 12.094 -6.201 754 HA THR 115 HA THR 115 -1.018 9.510 -5.056 755 HB THR 115 HB THR 115 0.756 8.733 -6.892 756 HG1 THR 115 1HG THR 115 -0.312 11.192 -7.877 757 HG21 THR 115 3HG2 THR 115 -1.030 7.851 -7.959 758 HG22 THR 115 1HG2 THR 115 -1.826 9.418 -8.129 759 HG23 THR 115 2HG2 THR 115 -1.930 8.537 -6.606 760 H LYS 116 H LYS 116 1.245 11.982 -4.890 761 HA LYS 116 HA LYS 116 2.877 11.169 -2.915 762 HB2 LYS 116 2HB LYS 116 4.858 10.176 -3.856 763 HB3 LYS 116 1HB LYS 116 3.481 9.195 -4.332 764 HG2 LYS 116 2HG LYS 116 4.161 9.345 -6.431 765 HG3 LYS 116 1HG LYS 116 3.828 11.079 -6.379 766 HD2 LYS 116 2HD LYS 116 6.305 10.693 -5.078 767 HD3 LYS 116 1HD LYS 116 6.357 9.717 -6.550 768 HE2 LYS 116 2HE LYS 116 6.850 11.591 -7.654 769 HE3 LYS 116 1HE LYS 116 5.195 12.114 -7.348 770 HZ1 LYS 116 3HZ LYS 116 6.650 13.820 -6.606 771 HZ2 LYS 116 1HZ LYS 116 7.607 12.728 -5.726 772 HZ3 LYS 116 2HZ LYS 116 6.024 13.072 -5.216 773 H ALA 117 H ALA 117 1.962 13.245 -5.170 774 HA ALA 117 HA ALA 117 4.393 14.889 -4.996 775 HB1 ALA 117 1HB ALA 117 3.537 13.877 -7.319 776 HB2 ALA 117 2HB ALA 117 2.560 15.345 -7.272 777 HB3 ALA 117 3HB ALA 117 4.318 15.452 -7.189 778 H GLU 118 H GLU 118 3.450 15.712 -3.061 779 HA GLU 118 HA GLU 118 1.406 17.744 -3.580 780 HB2 GLU 118 2HB GLU 118 1.474 15.778 -1.288 781 HB3 GLU 118 1HB GLU 118 0.510 17.247 -1.257 782 HG2 GLU 118 2HG GLU 118 -1.117 16.034 -2.152 783 HG3 GLU 118 1HG GLU 118 -0.191 16.080 -3.650 Start of MODEL 10 1 H1 SER 1 1H SER 1 9.041 11.307 17.371 2 H2 SER 1 2H SER 1 7.370 11.092 17.179 3 H3 SER 1 3H SER 1 8.443 10.438 16.043 4 HA SER 1 HA SER 1 7.751 9.505 18.719 5 HB2 SER 1 2HB SER 1 8.580 7.478 16.901 6 HB3 SER 1 1HB SER 1 6.940 7.832 17.452 7 HG SER 1 HG SER 1 8.192 8.447 15.064 8 H LEU 2 H LEU 2 9.183 7.744 19.592 9 HA LEU 2 HA LEU 2 12.024 8.321 19.055 10 HB2 LEU 2 2HB LEU 2 10.527 8.208 21.528 11 HB3 LEU 2 1HB LEU 2 11.826 7.033 21.540 12 HG LEU 2 HG LEU 2 12.357 9.888 20.789 13 HD11 LEU 2 1HD1 LEU 2 12.465 10.621 22.935 14 HD12 LEU 2 2HD1 LEU 2 11.155 9.451 23.108 15 HD13 LEU 2 3HD1 LEU 2 12.794 9.015 23.588 16 HD21 LEU 2 3HD2 LEU 2 14.136 7.917 22.191 17 HD22 LEU 2 1HD2 LEU 2 14.018 7.999 20.433 18 HD23 LEU 2 2HD2 LEU 2 14.586 9.398 21.345 19 HA PRO 3 HA PRO 3 11.866 4.109 17.552 20 HB2 PRO 3 2HB PRO 3 14.751 4.443 17.125 21 HB3 PRO 3 1HB PRO 3 13.465 4.198 15.941 22 HG2 PRO 3 2HG PRO 3 14.748 6.553 16.178 23 HG3 PRO 3 1HG PRO 3 13.032 6.456 15.741 24 HD2 PRO 3 2HD PRO 3 14.278 7.069 18.400 25 HD3 PRO 3 1HD PRO 3 12.904 7.855 17.591 26 H ALA 4 H ALA 4 11.689 3.892 20.127 27 HA ALA 4 HA ALA 4 14.068 2.550 21.176 28 HB1 ALA 4 1HB ALA 4 12.967 2.584 23.315 29 HB2 ALA 4 2HB ALA 4 12.839 4.187 22.591 30 HB3 ALA 4 3HB ALA 4 11.452 3.099 22.574 31 H SER 5 H SER 5 11.255 1.833 19.508 32 HA SER 5 HA SER 5 11.700 -1.004 19.782 33 HB2 SER 5 2HB SER 5 9.097 0.271 20.658 34 HB3 SER 5 1HB SER 5 9.283 -1.452 20.325 35 HG SER 5 HG SER 5 11.211 -0.500 21.998 36 H ALA 6 H ALA 6 10.676 -2.222 18.133 37 HA ALA 6 HA ALA 6 9.993 -2.651 16.018 38 HB1 ALA 6 1HB ALA 6 8.260 -0.251 16.562 39 HB2 ALA 6 2HB ALA 6 8.087 -1.293 15.151 40 HB3 ALA 6 3HB ALA 6 7.838 -1.950 16.770 41 H ALA 7 H ALA 7 12.315 -0.834 16.456 42 HA ALA 7 HA ALA 7 12.196 0.943 14.147 43 HB1 ALA 7 1HB ALA 7 14.686 0.557 15.733 44 HB2 ALA 7 2HB ALA 7 14.037 2.018 14.989 45 HB3 ALA 7 3HB ALA 7 13.325 1.395 16.478 46 H LYS 8 H LYS 8 11.885 -1.101 12.823 47 HA LYS 8 HA LYS 8 14.503 -1.944 11.807 48 HB2 LYS 8 2HB LYS 8 12.499 -3.659 13.101 49 HB3 LYS 8 1HB LYS 8 13.011 -4.240 11.523 50 HG2 LYS 8 2HG LYS 8 15.364 -4.099 12.300 51 HG3 LYS 8 1HG LYS 8 14.761 -3.682 13.905 52 HD2 LYS 8 2HD LYS 8 13.636 -5.797 14.097 53 HD3 LYS 8 1HD LYS 8 14.016 -6.203 12.422 54 HE2 LYS 8 2HE LYS 8 16.191 -5.636 14.406 55 HE3 LYS 8 1HE LYS 8 15.445 -7.230 14.312 56 HZ1 LYS 8 3HZ LYS 8 17.551 -6.668 12.912 57 HZ2 LYS 8 1HZ LYS 8 16.432 -5.975 11.844 58 HZ3 LYS 8 2HZ LYS 8 16.314 -7.619 12.243 59 H ASN 9 H ASN 9 14.583 -2.057 9.633 60 HA ASN 9 HA ASN 9 13.979 -2.222 7.446 61 HB2 ASN 9 2HB ASN 9 12.327 -3.702 7.174 62 HB3 ASN 9 1HB ASN 9 11.674 -3.334 8.761 63 HD21 ASN 9 1HD2 ASN 9 9.961 -1.934 8.950 64 HD22 ASN 9 2HD2 ASN 9 9.024 -1.419 7.591 65 H ALA 10 H ALA 10 12.002 -0.210 9.515 66 HA ALA 10 HA ALA 10 11.549 2.003 9.483 67 HB1 ALA 10 1HB ALA 10 13.374 3.063 8.797 68 HB2 ALA 10 2HB ALA 10 13.745 1.818 7.603 69 HB3 ALA 10 3HB ALA 10 12.628 3.123 7.200 70 H LYS 11 H LYS 11 11.700 1.660 5.954 71 HA LYS 11 HA LYS 11 8.809 1.770 5.793 72 HB2 LYS 11 2HB LYS 11 10.609 4.057 5.165 73 HB3 LYS 11 1HB LYS 11 9.188 3.804 4.157 74 HG2 LYS 11 2HG LYS 11 7.728 4.055 6.008 75 HG3 LYS 11 1HG LYS 11 9.074 3.986 7.150 76 HD2 LYS 11 2HD LYS 11 8.959 6.126 5.057 77 HD3 LYS 11 1HD LYS 11 8.028 6.284 6.549 78 HE2 LYS 11 2HE LYS 11 10.736 5.461 7.102 79 HE3 LYS 11 1HE LYS 11 10.712 6.944 6.151 80 HZ1 LYS 11 3HZ LYS 11 10.191 8.060 7.972 81 HZ2 LYS 11 1HZ LYS 11 10.207 6.628 8.885 82 HZ3 LYS 11 2HZ LYS 11 8.769 7.157 8.156 83 H LEU 12 H LEU 12 8.925 2.870 3.096 84 HA LEU 12 HA LEU 12 9.177 0.363 1.725 85 HB2 LEU 12 2HB LEU 12 8.399 3.122 0.795 86 HB3 LEU 12 1HB LEU 12 8.386 1.710 -0.241 87 HG LEU 12 HG LEU 12 6.734 0.693 1.450 88 HD11 LEU 12 1HD1 LEU 12 5.673 2.017 2.996 89 HD12 LEU 12 2HD1 LEU 12 7.304 2.684 3.068 90 HD13 LEU 12 3HD1 LEU 12 6.053 3.514 2.141 91 HD21 LEU 12 3HD2 LEU 12 4.859 1.740 0.353 92 HD22 LEU 12 1HD2 LEU 12 5.861 3.114 -0.123 93 HD23 LEU 12 2HD2 LEU 12 6.165 1.519 -0.815 94 H ALA 13 H ALA 13 11.629 0.836 2.568 95 HA ALA 13 HA ALA 13 13.812 0.873 1.950 96 HB1 ALA 13 1HB ALA 13 13.250 -0.338 -0.031 97 HB2 ALA 13 2HB ALA 13 12.695 1.130 -0.837 98 HB3 ALA 13 3HB ALA 13 14.407 0.920 -0.465 99 H THR 14 H THR 14 11.762 3.389 0.724 100 HA THR 14 HA THR 14 13.611 5.428 1.597 101 HB THR 14 HB THR 14 12.761 6.177 -1.062 102 HG1 THR 14 1HG THR 14 14.586 3.997 -1.014 103 HG21 THR 14 3HG2 THR 14 14.871 6.650 0.678 104 HG22 THR 14 1HG2 THR 14 14.689 7.301 -0.954 105 HG23 THR 14 2HG2 THR 14 15.612 5.820 -0.689 106 H SER 15 H SER 15 10.784 4.902 -0.486 107 HA SER 15 HA SER 15 8.788 5.969 -0.677 108 HB2 SER 15 2HB SER 15 8.071 6.481 1.995 109 HB3 SER 15 1HB SER 15 7.653 5.069 1.030 110 HG SER 15 HG SER 15 10.044 5.333 2.540 111 H ALA 16 H ALA 16 10.698 7.792 -1.180 112 HA ALA 16 HA ALA 16 10.967 9.944 0.596 113 HB1 ALA 16 1HB ALA 16 11.647 9.394 -2.199 114 HB2 ALA 16 2HB ALA 16 11.403 11.101 -1.826 115 HB3 ALA 16 3HB ALA 16 12.596 10.164 -0.928 116 H ALA 17 H ALA 17 9.082 9.900 -2.432 117 HA ALA 17 HA ALA 17 7.660 12.270 -1.683 118 HB1 ALA 17 1HB ALA 17 6.961 12.319 -3.821 119 HB2 ALA 17 2HB ALA 17 8.213 11.100 -4.060 120 HB3 ALA 17 3HB ALA 17 6.534 10.608 -3.828 121 H PHE 18 H PHE 18 7.179 8.867 -1.325 122 HA PHE 18 HA PHE 18 4.387 8.843 -0.938 123 HB2 PHE 18 2HB PHE 18 5.766 6.810 -1.345 124 HB3 PHE 18 1HB PHE 18 6.442 6.977 0.271 125 HD1 PHE 18 1HD PHE 18 3.137 6.737 -1.439 126 HD2 PHE 18 2HD PHE 18 5.482 5.794 1.987 127 HE1 PHE 18 1HE PHE 18 1.278 5.404 -0.541 128 HE2 PHE 18 2HE PHE 18 3.624 4.458 2.894 129 HZ PHE 18 HZ PHE 18 1.519 4.260 1.625 130 H ALA 19 H ALA 19 7.107 9.355 1.237 131 HA ALA 19 HA ALA 19 5.598 9.445 3.633 132 HB1 ALA 19 1HB ALA 19 7.686 10.812 4.394 133 HB2 ALA 19 2HB ALA 19 7.824 9.091 4.028 134 HB3 ALA 19 3HB ALA 19 8.342 10.287 2.841 135 H LYS 20 H LYS 20 6.020 11.723 1.082 136 HA LYS 20 HA LYS 20 5.441 14.078 2.615 137 HB2 LYS 20 2HB LYS 20 5.889 13.403 -0.203 138 HB3 LYS 20 1HB LYS 20 4.655 14.636 0.021 139 HG2 LYS 20 2HG LYS 20 6.340 16.090 0.076 140 HG3 LYS 20 1HG LYS 20 6.665 15.473 1.698 141 HD2 LYS 20 2HD LYS 20 7.934 13.626 0.168 142 HD3 LYS 20 1HD LYS 20 8.143 15.079 -0.813 143 HE2 LYS 20 2HE LYS 20 8.641 15.480 2.047 144 HE3 LYS 20 1HE LYS 20 9.744 14.340 1.278 145 HZ1 LYS 20 3HZ LYS 20 9.550 16.458 -0.464 146 HZ2 LYS 20 1HZ LYS 20 10.859 16.099 0.552 147 HZ3 LYS 20 2HZ LYS 20 9.654 17.174 1.070 148 H GLN 21 H GLN 21 3.693 11.604 0.960 149 HA GLN 21 HA GLN 21 1.118 12.815 1.056 150 HB2 GLN 21 2HB GLN 21 2.238 10.577 -0.125 151 HB3 GLN 21 1HB GLN 21 1.156 9.898 1.082 152 HG2 GLN 21 2HG GLN 21 -0.723 10.897 0.120 153 HG3 GLN 21 1HG GLN 21 0.254 12.028 -0.814 154 HE21 GLN 21 1HE2 GLN 21 -0.181 8.535 -0.416 155 HE22 GLN 21 2HE2 GLN 21 -0.089 8.160 -2.096 156 H ALA 22 H ALA 22 3.094 11.032 3.256 157 HA ALA 22 HA ALA 22 1.009 10.228 5.051 158 HB1 ALA 22 1HB ALA 22 3.197 9.053 4.858 159 HB2 ALA 22 2HB ALA 22 3.966 10.449 5.614 160 HB3 ALA 22 3HB ALA 22 2.777 9.505 6.510 161 H GLU 23 H GLU 23 2.353 13.192 4.352 162 HA GLU 23 HA GLU 23 2.217 14.298 7.003 163 HB2 GLU 23 2HB GLU 23 2.683 15.415 4.258 164 HB3 GLU 23 1HB GLU 23 2.322 16.499 5.596 165 HG2 GLU 23 2HG GLU 23 4.466 14.476 5.949 166 HG3 GLU 23 1HG GLU 23 4.792 15.891 4.948 167 H GLY 24 H GLY 24 0.073 13.690 4.407 168 HA2 GLY 24 1HA GLY 24 -1.902 15.640 5.201 169 HA3 GLY 24 2HA GLY 24 -2.104 14.379 3.991 170 H THR 25 H THR 25 -1.154 12.329 5.921 171 HA THR 25 HA THR 25 -3.345 12.276 7.854 172 HB THR 25 HB THR 25 -2.945 9.681 6.553 173 HG1 THR 25 1HG THR 25 -3.504 11.932 5.053 174 HG21 THR 25 3HG2 THR 25 -4.724 9.778 8.047 175 HG22 THR 25 1HG2 THR 25 -5.528 9.953 6.486 176 HG23 THR 25 2HG2 THR 25 -5.234 11.372 7.493 177 H THR 26 H THR 26 -2.319 12.034 9.729 178 HA THR 26 HA THR 26 0.168 10.700 10.040 179 HB THR 26 HB THR 26 -1.905 11.690 11.990 180 HG1 THR 26 1HG THR 26 -0.340 13.145 11.009 181 HG21 THR 26 3HG2 THR 26 -0.609 10.959 13.860 182 HG22 THR 26 1HG2 THR 26 0.666 10.340 12.810 183 HG23 THR 26 2HG2 THR 26 -0.908 9.543 12.853 184 H CYS 27 H CYS 27 0.425 8.598 9.765 185 HA CYS 27 HA CYS 27 -1.307 6.756 11.182 186 HB2 CYS 27 2HB CYS 27 -1.472 7.139 8.325 187 HB3 CYS 27 1HB CYS 27 -0.906 5.510 8.680 188 H ASN 28 H ASN 28 -0.371 4.543 11.153 189 HA ASN 28 HA ASN 28 2.488 4.771 11.638 190 HB2 ASN 28 2HB ASN 28 0.663 3.628 13.150 191 HB3 ASN 28 1HB ASN 28 0.899 2.260 12.068 192 HD21 ASN 28 1HD2 ASN 28 1.423 1.937 14.679 193 HD22 ASN 28 2HD2 ASN 28 3.130 1.822 14.962 194 H VAL 29 H VAL 29 3.829 2.748 10.979 195 HA VAL 29 HA VAL 29 3.735 2.469 8.170 196 HB VAL 29 HB VAL 29 5.362 0.571 8.517 197 HG11 VAL 29 1HG1 VAL 29 6.365 2.601 8.051 198 HG12 VAL 29 2HG1 VAL 29 5.800 3.343 9.550 199 HG13 VAL 29 3HG1 VAL 29 7.105 2.157 9.589 200 HG21 VAL 29 3HG2 VAL 29 6.240 0.111 10.671 201 HG22 VAL 29 1HG2 VAL 29 5.310 1.420 11.403 202 HG23 VAL 29 2HG2 VAL 29 4.486 -0.018 10.799 203 H GLY 30 H GLY 30 2.531 0.450 10.792 204 HA2 GLY 30 1HA GLY 30 1.419 -1.469 8.893 205 HA3 GLY 30 2HA GLY 30 1.373 -1.596 10.648 206 H SER 31 H SER 31 0.527 1.386 9.146 207 HA SER 31 HA SER 31 -2.322 0.766 9.171 208 HB2 SER 31 2HB SER 31 -1.384 3.309 10.466 209 HB3 SER 31 1HB SER 31 -2.940 2.493 10.623 210 HG SER 31 HG SER 31 -1.304 0.741 11.496 211 H ILE 32 H ILE 32 0.349 2.225 7.767 212 HA ILE 32 HA ILE 32 -1.263 4.077 6.207 213 HB ILE 32 HB ILE 32 1.475 4.065 7.027 214 HG12 ILE 32 2HG1 ILE 32 0.123 6.072 5.257 215 HG13 ILE 32 1HG1 ILE 32 -0.329 5.867 6.936 216 HG21 ILE 32 1HG2 ILE 32 1.793 4.944 4.335 217 HG22 ILE 32 2HG2 ILE 32 2.717 3.732 5.217 218 HG23 ILE 32 3HG2 ILE 32 1.269 3.262 4.322 219 HD11 ILE 32 3HD1 ILE 32 1.540 7.599 6.048 220 HD12 ILE 32 1HD1 ILE 32 1.496 6.933 7.681 221 HD13 ILE 32 2HD1 ILE 32 2.541 6.207 6.461 222 H ALA 33 H ALA 33 -1.737 3.771 4.073 223 HA ALA 33 HA ALA 33 -0.741 1.365 2.801 224 HB1 ALA 33 1HB ALA 33 -2.608 0.100 2.893 225 HB2 ALA 33 2HB ALA 33 -2.886 1.035 4.362 226 HB3 ALA 33 3HB ALA 33 -3.686 1.497 2.860 227 H CYS 34 H CYS 34 -1.583 1.045 0.637 228 HA CYS 34 HA CYS 34 -2.621 3.500 -0.609 229 HB2 CYS 34 2HB CYS 34 -0.153 2.798 -1.112 230 HB3 CYS 34 1HB CYS 34 -0.897 1.559 -2.116 231 H CYS 35 H CYS 35 -4.198 3.205 -2.193 232 HA CYS 35 HA CYS 35 -5.185 0.444 -2.458 233 HB2 CYS 35 2HB CYS 35 -6.487 2.467 -1.115 234 HB3 CYS 35 1HB CYS 35 -7.215 2.531 -2.712 235 H ASN 36 H ASN 36 -6.341 -0.010 -4.389 236 HA ASN 36 HA ASN 36 -5.954 1.909 -6.573 237 HB2 ASN 36 2HB ASN 36 -4.312 -0.261 -6.298 238 HB3 ASN 36 1HB ASN 36 -5.591 -0.927 -7.308 239 HD21 ASN 36 1HD2 ASN 36 -5.816 -0.223 -9.396 240 HD22 ASN 36 2HD2 ASN 36 -4.653 0.783 -10.184 241 H SER 37 H SER 37 -7.363 1.472 -8.422 242 HA SER 37 HA SER 37 -10.007 1.006 -7.731 243 HB2 SER 37 2HB SER 37 -9.278 0.427 -10.530 244 HB3 SER 37 1HB SER 37 -10.424 1.598 -9.881 245 HG SER 37 HG SER 37 -7.975 2.049 -10.788 246 HA PRO 38 HA PRO 38 -10.584 -3.288 -7.140 247 HB2 PRO 38 2HB PRO 38 -12.977 -2.975 -8.897 248 HB3 PRO 38 1HB PRO 38 -12.847 -3.681 -7.282 249 HG2 PRO 38 2HG PRO 38 -13.875 -1.256 -7.580 250 HG3 PRO 38 1HG PRO 38 -12.776 -1.606 -6.230 251 HD2 PRO 38 2HD PRO 38 -12.247 -0.125 -8.773 252 HD3 PRO 38 1HD PRO 38 -11.637 0.189 -7.136 253 H ALA 39 H ALA 39 -10.903 -2.130 -10.471 254 HA ALA 39 HA ALA 39 -10.813 -4.678 -11.713 255 HB1 ALA 39 1HB ALA 39 -10.174 -1.927 -12.755 256 HB2 ALA 39 2HB ALA 39 -10.226 -3.374 -13.762 257 HB3 ALA 39 3HB ALA 39 -11.681 -2.826 -12.932 258 H GLU 40 H GLU 40 -8.464 -3.075 -10.004 259 HA GLU 40 HA GLU 40 -6.285 -4.385 -11.497 260 HB2 GLU 40 2HB GLU 40 -6.397 -1.827 -9.940 261 HB3 GLU 40 1HB GLU 40 -4.871 -2.694 -10.075 262 HG2 GLU 40 2HG GLU 40 -5.947 -2.564 -12.670 263 HG3 GLU 40 1HG GLU 40 -6.151 -0.964 -11.961 264 H THR 41 H THR 41 -7.585 -3.653 -8.289 265 HA THR 41 HA THR 41 -5.780 -5.223 -6.797 266 HB THR 41 HB THR 41 -8.452 -5.243 -5.693 267 HG1 THR 41 1HG THR 41 -7.860 -2.625 -5.759 268 HG21 THR 41 3HG2 THR 41 -6.078 -5.226 -4.632 269 HG22 THR 41 1HG2 THR 41 -7.402 -4.384 -3.827 270 HG23 THR 41 2HG2 THR 41 -6.230 -3.474 -4.781 271 H ASN 42 H ASN 42 -8.670 -5.945 -8.588 272 HA ASN 42 HA ASN 42 -8.658 -8.715 -7.631 273 HB2 ASN 42 2HB ASN 42 -10.727 -6.889 -8.762 274 HB3 ASN 42 1HB ASN 42 -10.893 -8.611 -9.052 275 HD21 ASN 42 1HD2 ASN 42 -10.002 -6.502 -6.344 276 HD22 ASN 42 2HD2 ASN 42 -11.035 -7.266 -5.182 277 H ASN 43 H ASN 43 -6.978 -7.262 -9.760 278 HA ASN 43 HA ASN 43 -7.718 -8.272 -12.309 279 HB2 ASN 43 2HB ASN 43 -6.019 -6.364 -11.609 280 HB3 ASN 43 1HB ASN 43 -4.856 -7.686 -11.662 281 HD21 ASN 43 1HD2 ASN 43 -6.660 -5.442 -13.440 282 HD22 ASN 43 2HD2 ASN 43 -6.181 -5.947 -15.028 283 H ASP 44 H ASP 44 -5.865 -9.543 -9.661 284 HA ASP 44 HA ASP 44 -5.397 -11.986 -11.236 285 HB2 ASP 44 2HB ASP 44 -3.370 -10.688 -10.274 286 HB3 ASP 44 1HB ASP 44 -3.901 -11.297 -8.705 287 H SER 45 H SER 45 -6.114 -13.905 -10.426 288 HA SER 45 HA SER 45 -8.175 -13.907 -8.494 289 HB2 SER 45 2HB SER 45 -7.104 -16.536 -8.893 290 HB3 SER 45 1HB SER 45 -8.603 -15.848 -9.521 291 HG SER 45 HG SER 45 -7.648 -15.986 -11.387 292 H LEU 46 H LEU 46 -4.747 -14.388 -8.346 293 HA LEU 46 HA LEU 46 -4.825 -15.484 -5.657 294 HB2 LEU 46 2HB LEU 46 -2.813 -15.111 -7.757 295 HB3 LEU 46 1HB LEU 46 -2.206 -14.749 -6.151 296 HG LEU 46 HG LEU 46 -1.677 -17.016 -6.563 297 HD11 LEU 46 1HD1 LEU 46 -2.336 -16.929 -4.354 298 HD12 LEU 46 2HD1 LEU 46 -4.029 -16.645 -4.759 299 HD13 LEU 46 3HD1 LEU 46 -3.321 -18.244 -4.992 300 HD21 LEU 46 3HD2 LEU 46 -4.247 -18.212 -6.968 301 HD22 LEU 46 1HD2 LEU 46 -3.959 -16.973 -8.191 302 HD23 LEU 46 2HD2 LEU 46 -2.803 -18.288 -7.979 303 H LEU 47 H LEU 47 -4.638 -12.433 -7.205 304 HA LEU 47 HA LEU 47 -3.222 -10.937 -5.297 305 HB2 LEU 47 2HB LEU 47 -4.398 -10.444 -7.738 306 HB3 LEU 47 1HB LEU 47 -5.385 -9.499 -6.640 307 HG LEU 47 HG LEU 47 -3.536 -8.208 -7.664 308 HD11 LEU 47 1HD1 LEU 47 -3.590 -6.918 -5.857 309 HD12 LEU 47 2HD1 LEU 47 -4.351 -8.250 -4.986 310 HD13 LEU 47 3HD1 LEU 47 -2.597 -8.061 -4.952 311 HD21 LEU 47 3HD2 LEU 47 -1.953 -10.212 -7.630 312 HD22 LEU 47 1HD2 LEU 47 -1.274 -8.637 -7.217 313 HD23 LEU 47 2HD2 LEU 47 -1.656 -9.794 -5.942 314 H SER 48 H SER 48 -6.663 -11.680 -5.621 315 HA SER 48 HA SER 48 -7.565 -9.878 -3.657 316 HB2 SER 48 2HB SER 48 -9.459 -11.873 -3.758 317 HB3 SER 48 1HB SER 48 -9.372 -10.478 -4.839 318 HG SER 48 HG SER 48 -9.210 -12.984 -5.530 319 H GLY 49 H GLY 49 -6.291 -13.124 -3.444 320 HA2 GLY 49 1HA GLY 49 -6.948 -13.304 -0.598 321 HA3 GLY 49 2HA GLY 49 -6.148 -14.539 -1.558 322 H LEU 50 H LEU 50 -4.386 -12.349 -2.656 323 HA LEU 50 HA LEU 50 -2.218 -12.660 -0.849 324 HB2 LEU 50 2HB LEU 50 -2.567 -11.942 -3.521 325 HB3 LEU 50 1HB LEU 50 -1.914 -10.498 -2.776 326 HG LEU 50 HG LEU 50 -0.046 -11.956 -1.868 327 HD11 LEU 50 1HD1 LEU 50 -1.131 -14.118 -2.107 328 HD12 LEU 50 2HD1 LEU 50 -1.212 -13.904 -3.855 329 HD13 LEU 50 3HD1 LEU 50 0.352 -14.068 -3.058 330 HD21 LEU 50 3HD2 LEU 50 -0.268 -11.808 -4.873 331 HD22 LEU 50 1HD2 LEU 50 0.141 -10.442 -3.833 332 HD23 LEU 50 2HD2 LEU 50 1.209 -11.842 -3.909 333 H LEU 51 H LEU 51 -4.525 -10.088 -1.514 334 HA LEU 51 HA LEU 51 -3.150 -8.117 0.035 335 HB2 LEU 51 2HB LEU 51 -5.340 -6.862 -0.151 336 HB3 LEU 51 1HB LEU 51 -4.535 -7.259 -1.654 337 HG LEU 51 HG LEU 51 -6.199 -9.383 -1.437 338 HD11 LEU 51 1HD1 LEU 51 -7.127 -7.643 0.545 339 HD12 LEU 51 2HD1 LEU 51 -8.237 -7.443 -0.812 340 HD13 LEU 51 3HD1 LEU 51 -7.961 -9.044 -0.124 341 HD21 LEU 51 3HD2 LEU 51 -7.221 -8.508 -3.287 342 HD22 LEU 51 1HD2 LEU 51 -7.340 -6.890 -2.593 343 HD23 LEU 51 2HD2 LEU 51 -5.797 -7.469 -3.223 344 H GLY 52 H GLY 52 -5.389 -10.633 0.774 345 HA2 GLY 52 1HA GLY 52 -6.154 -9.416 3.313 346 HA3 GLY 52 2HA GLY 52 -6.813 -10.897 2.625 347 H ALA 53 H ALA 53 -3.604 -9.690 3.603 348 HA ALA 53 HA ALA 53 -2.778 -12.342 4.352 349 HB1 ALA 53 1HB ALA 53 -0.740 -10.874 5.224 350 HB2 ALA 53 2HB ALA 53 -0.970 -11.244 3.515 351 HB3 ALA 53 3HB ALA 53 -1.479 -9.682 4.155 352 H GLY 54 H GLY 54 -4.816 -12.138 5.898 353 HA2 GLY 54 1HA GLY 54 -4.640 -12.910 8.254 354 HA3 GLY 54 2HA GLY 54 -3.701 -11.455 8.552 355 H LEU 55 H LEU 55 -6.888 -12.465 7.318 356 HA LEU 55 HA LEU 55 -8.979 -11.636 7.632 357 HB2 LEU 55 2HB LEU 55 -7.612 -11.054 10.211 358 HB3 LEU 55 1HB LEU 55 -9.197 -10.360 9.939 359 HG LEU 55 HG LEU 55 -8.627 -13.308 9.711 360 HD11 LEU 55 1HD1 LEU 55 -10.192 -12.648 11.991 361 HD12 LEU 55 2HD1 LEU 55 -8.637 -13.479 11.917 362 HD13 LEU 55 3HD1 LEU 55 -8.692 -11.722 12.044 363 HD21 LEU 55 3HD2 LEU 55 -11.311 -12.486 10.410 364 HD22 LEU 55 1HD2 LEU 55 -10.794 -11.775 8.882 365 HD23 LEU 55 2HD2 LEU 55 -10.756 -13.525 9.094 366 H LEU 56 H LEU 56 -7.136 -10.020 6.178 367 HA LEU 56 HA LEU 56 -7.486 -7.280 6.980 368 HB2 LEU 56 2HB LEU 56 -5.684 -8.675 5.399 369 HB3 LEU 56 1HB LEU 56 -6.596 -7.717 4.246 370 HG LEU 56 HG LEU 56 -5.985 -5.935 6.295 371 HD11 LEU 56 1HD1 LEU 56 -3.402 -6.227 6.172 372 HD12 LEU 56 2HD1 LEU 56 -4.333 -7.145 7.355 373 HD13 LEU 56 3HD1 LEU 56 -3.793 -7.918 5.863 374 HD21 LEU 56 3HD2 LEU 56 -5.276 -6.407 3.491 375 HD22 LEU 56 1HD2 LEU 56 -5.815 -4.934 4.298 376 HD23 LEU 56 2HD2 LEU 56 -4.122 -5.420 4.390 377 H ASN 57 H ASN 57 -8.726 -5.736 5.981 378 HA ASN 57 HA ASN 57 -10.684 -6.701 4.014 379 HB2 ASN 57 2HB ASN 57 -11.413 -5.998 6.487 380 HB3 ASN 57 1HB ASN 57 -11.356 -4.389 5.779 381 HD21 ASN 57 1HD2 ASN 57 -13.546 -6.306 6.710 382 HD22 ASN 57 2HD2 ASN 57 -14.676 -6.306 5.397 383 H GLY 58 H GLY 58 -11.767 -4.440 3.137 384 HA2 GLY 58 1HA GLY 58 -9.411 -3.018 2.053 385 HA3 GLY 58 2HA GLY 58 -10.819 -3.431 1.084 386 H LEU 59 H LEU 59 -12.015 -1.738 0.636 387 HA LEU 59 HA LEU 59 -11.797 0.739 1.970 388 HB2 LEU 59 2HB LEU 59 -13.313 -0.374 -0.260 389 HB3 LEU 59 1HB LEU 59 -14.227 0.820 0.641 390 HG LEU 59 HG LEU 59 -13.055 1.830 -1.256 391 HD11 LEU 59 1HD1 LEU 59 -13.456 3.244 0.640 392 HD12 LEU 59 2HD1 LEU 59 -12.012 2.640 1.452 393 HD13 LEU 59 3HD1 LEU 59 -11.858 3.610 -0.013 394 HD21 LEU 59 3HD2 LEU 59 -10.753 1.783 -1.555 395 HD22 LEU 59 1HD2 LEU 59 -10.445 1.251 0.098 396 HD23 LEU 59 2HD2 LEU 59 -11.135 0.128 -1.077 397 H SER 60 H SER 60 -13.127 1.772 3.403 398 HA SER 60 HA SER 60 -14.366 0.290 5.388 399 HB2 SER 60 2HB SER 60 -15.500 2.833 5.516 400 HB3 SER 60 1HB SER 60 -14.023 2.297 6.311 401 HG SER 60 HG SER 60 -14.330 4.025 4.248 402 H GLY 61 H GLY 61 -15.900 -1.140 4.609 403 HA2 GLY 61 1HA GLY 61 -18.201 -1.595 4.600 404 HA3 GLY 61 2HA GLY 61 -18.514 0.080 4.177 405 H ASN 62 H ASN 62 -16.160 -0.724 2.093 406 HA ASN 62 HA ASN 62 -18.168 -1.387 0.053 407 HB2 ASN 62 2HB ASN 62 -16.833 0.801 -0.079 408 HB3 ASN 62 1HB ASN 62 -15.460 -0.207 -0.526 409 HD21 ASN 62 1HD2 ASN 62 -15.455 0.947 -2.527 410 HD22 ASN 62 2HD2 ASN 62 -16.556 0.511 -3.789 411 H THR 63 H THR 63 -17.888 -3.000 -1.363 412 HA THR 63 HA THR 63 -15.750 -4.905 -0.786 413 HB THR 63 HB THR 63 -18.131 -5.556 -2.479 414 HG1 THR 63 1HG THR 63 -18.096 -5.354 0.376 415 HG21 THR 63 3HG2 THR 63 -16.069 -7.051 -1.853 416 HG22 THR 63 1HG2 THR 63 -17.695 -7.731 -1.881 417 HG23 THR 63 2HG2 THR 63 -16.958 -7.274 -0.347 418 H GLY 64 H GLY 64 -14.294 -5.484 -2.337 419 HA2 GLY 64 1HA GLY 64 -13.868 -5.935 -4.704 420 HA3 GLY 64 2HA GLY 64 -14.777 -4.475 -5.074 421 H SER 65 H SER 65 -13.674 -2.809 -3.094 422 HA SER 65 HA SER 65 -11.028 -2.357 -4.255 423 HB2 SER 65 2HB SER 65 -11.863 -0.272 -2.463 424 HB3 SER 65 1HB SER 65 -11.629 -0.190 -4.212 425 HG SER 65 HG SER 65 -13.779 -1.062 -4.408 426 H ALA 66 H ALA 66 -9.344 -3.083 -3.163 427 HA ALA 66 HA ALA 66 -9.439 -3.104 -0.224 428 HB1 ALA 66 1HB ALA 66 -7.726 -5.178 -1.180 429 HB2 ALA 66 2HB ALA 66 -9.166 -5.304 -0.169 430 HB3 ALA 66 3HB ALA 66 -9.315 -5.349 -1.928 431 H CYS 67 H CYS 67 -7.403 -2.819 0.829 432 HA CYS 67 HA CYS 67 -5.302 -1.745 -0.924 433 HB2 CYS 67 2HB CYS 67 -5.660 -0.402 1.693 434 HB3 CYS 67 1HB CYS 67 -5.186 0.267 0.138 435 H ALA 68 H ALA 68 -3.188 -1.968 -0.200 436 HA ALA 68 HA ALA 68 -2.849 -3.723 2.142 437 HB1 ALA 68 1HB ALA 68 -2.104 -4.240 -0.468 438 HB2 ALA 68 2HB ALA 68 -0.607 -3.723 0.307 439 HB3 ALA 68 3HB ALA 68 -1.525 -5.075 0.974 440 H LYS 69 H LYS 69 -0.853 -3.429 3.343 441 HA LYS 69 HA LYS 69 -0.304 -0.557 3.572 442 HB2 LYS 69 2HB LYS 69 -0.098 -2.834 5.545 443 HB3 LYS 69 1HB LYS 69 0.532 -1.227 5.873 444 HG2 LYS 69 2HG LYS 69 -1.559 -1.281 6.906 445 HG3 LYS 69 1HG LYS 69 -1.814 -0.375 5.415 446 HD2 LYS 69 2HD LYS 69 -3.549 -1.764 5.096 447 HD3 LYS 69 1HD LYS 69 -2.328 -2.948 4.626 448 HE2 LYS 69 2HE LYS 69 -2.590 -4.154 6.512 449 HE3 LYS 69 1HE LYS 69 -2.815 -2.726 7.518 450 HZ1 LYS 69 3HZ LYS 69 -5.070 -2.777 6.025 451 HZ2 LYS 69 1HZ LYS 69 -4.931 -3.389 7.599 452 HZ3 LYS 69 2HZ LYS 69 -4.773 -4.420 6.264 453 H ALA 70 H ALA 70 1.932 -0.159 4.660 454 HA ALA 70 HA ALA 70 3.904 -0.786 2.767 455 HB1 ALA 70 1HB ALA 70 4.941 0.881 3.781 456 HB2 ALA 70 2HB ALA 70 3.674 0.895 5.007 457 HB3 ALA 70 3HB ALA 70 5.125 -0.082 5.247 458 H SER 71 H SER 71 3.196 -2.181 5.939 459 HA SER 71 HA SER 71 5.398 -3.937 6.018 460 HB2 SER 71 2HB SER 71 2.940 -4.908 7.293 461 HB3 SER 71 1HB SER 71 4.516 -4.564 8.004 462 HG SER 71 HG SER 71 2.277 -3.078 8.036 463 H LEU 72 H LEU 72 2.173 -4.200 4.628 464 HA LEU 72 HA LEU 72 2.417 -6.956 3.938 465 HB2 LEU 72 2HB LEU 72 0.386 -5.005 3.868 466 HB3 LEU 72 1HB LEU 72 0.591 -5.559 2.216 467 HG LEU 72 HG LEU 72 0.111 -7.815 2.815 468 HD11 LEU 72 1HD1 LEU 72 -0.269 -8.549 5.085 469 HD12 LEU 72 2HD1 LEU 72 1.338 -7.837 4.939 470 HD13 LEU 72 3HD1 LEU 72 0.030 -6.919 5.689 471 HD21 LEU 72 3HD2 LEU 72 -1.946 -6.539 4.499 472 HD22 LEU 72 1HD2 LEU 72 -1.729 -5.858 2.886 473 HD23 LEU 72 2HD2 LEU 72 -2.115 -7.569 3.079 474 H ILE 73 H ILE 73 3.483 -4.002 2.515 475 HA ILE 73 HA ILE 73 3.795 -4.800 -0.153 476 HB ILE 73 HB ILE 73 4.812 -2.649 1.551 477 HG12 ILE 73 2HG1 ILE 73 4.691 -1.920 -1.178 478 HG13 ILE 73 1HG1 ILE 73 3.369 -3.048 -0.899 479 HG21 ILE 73 1HG2 ILE 73 6.513 -2.262 -0.564 480 HG22 ILE 73 2HG2 ILE 73 6.988 -2.810 1.043 481 HG23 ILE 73 3HG2 ILE 73 6.697 -3.986 -0.240 482 HD11 ILE 73 3HD1 ILE 73 3.636 -0.976 1.144 483 HD12 ILE 73 1HD1 ILE 73 3.259 -0.381 -0.474 484 HD13 ILE 73 2HD1 ILE 73 2.209 -1.569 0.296 485 H ASP 74 H ASP 74 5.864 -5.242 2.692 486 HA ASP 74 HA ASP 74 7.829 -6.725 1.143 487 HB2 ASP 74 2HB ASP 74 8.366 -5.162 3.100 488 HB3 ASP 74 1HB ASP 74 7.775 -6.454 4.142 489 H GLN 75 H GLN 75 4.888 -7.454 2.190 490 HA GLN 75 HA GLN 75 5.510 -10.060 3.343 491 HB2 GLN 75 2HB GLN 75 3.537 -8.235 3.903 492 HB3 GLN 75 1HB GLN 75 2.689 -9.400 2.898 493 HG2 GLN 75 2HG GLN 75 2.385 -10.085 5.130 494 HG3 GLN 75 1HG GLN 75 3.559 -11.194 4.420 495 HE21 GLN 75 1HE2 GLN 75 4.684 -8.041 5.098 496 HE22 GLN 75 2HE2 GLN 75 5.570 -8.429 6.524 497 H LEU 76 H LEU 76 3.553 -8.715 0.673 498 HA LEU 76 HA LEU 76 3.686 -11.386 -0.566 499 HB2 LEU 76 2HB LEU 76 1.420 -9.491 -0.222 500 HB3 LEU 76 1HB LEU 76 1.458 -10.477 -1.670 501 HG LEU 76 HG LEU 76 0.160 -11.767 -0.278 502 HD11 LEU 76 1HD1 LEU 76 1.792 -13.480 0.849 503 HD12 LEU 76 2HD1 LEU 76 1.658 -13.368 -0.906 504 HD13 LEU 76 3HD1 LEU 76 3.008 -12.596 -0.075 505 HD21 LEU 76 3HD2 LEU 76 1.933 -11.238 2.090 506 HD22 LEU 76 1HD2 LEU 76 0.560 -10.213 1.674 507 HD23 LEU 76 2HD2 LEU 76 0.304 -11.911 2.071 508 H GLY 77 H GLY 77 4.354 -8.068 -0.970 509 HA2 GLY 77 1HA GLY 77 5.309 -6.933 -2.737 510 HA3 GLY 77 2HA GLY 77 5.510 -8.488 -3.533 511 H LEU 78 H LEU 78 2.659 -6.640 -2.517 512 HA LEU 78 HA LEU 78 1.222 -7.413 -4.872 513 HB2 LEU 78 2HB LEU 78 0.313 -5.282 -2.980 514 HB3 LEU 78 1HB LEU 78 -0.647 -6.436 -3.883 515 HG LEU 78 HG LEU 78 0.799 -8.088 -2.248 516 HD11 LEU 78 1HD1 LEU 78 0.997 -5.476 -1.131 517 HD12 LEU 78 2HD1 LEU 78 -0.047 -6.450 -0.096 518 HD13 LEU 78 3HD1 LEU 78 1.583 -7.002 -0.472 519 HD21 LEU 78 3HD2 LEU 78 -1.558 -7.379 -0.864 520 HD22 LEU 78 1HD2 LEU 78 -1.888 -7.205 -2.587 521 HD23 LEU 78 2HD2 LEU 78 -1.300 -8.743 -1.953 522 H LEU 79 H LEU 79 2.069 -6.530 -6.689 523 HA LEU 79 HA LEU 79 2.813 -3.768 -6.879 524 HB2 LEU 79 2HB LEU 79 2.319 -5.078 -9.426 525 HB3 LEU 79 1HB LEU 79 3.795 -4.366 -8.802 526 HG LEU 79 HG LEU 79 3.660 -6.683 -7.367 527 HD11 LEU 79 1HD1 LEU 79 2.775 -8.424 -8.533 528 HD12 LEU 79 2HD1 LEU 79 1.679 -7.146 -9.062 529 HD13 LEU 79 3HD1 LEU 79 3.017 -7.645 -10.097 530 HD21 LEU 79 3HD2 LEU 79 4.945 -6.496 -10.084 531 HD22 LEU 79 1HD2 LEU 79 5.565 -5.645 -8.668 532 HD23 LEU 79 2HD2 LEU 79 5.494 -7.407 -8.676 533 H ALA 80 H ALA 80 -0.136 -5.014 -6.547 534 HA ALA 80 HA ALA 80 -1.599 -3.928 -8.715 535 HB1 ALA 80 1HB ALA 80 -2.193 -5.655 -6.715 536 HB2 ALA 80 2HB ALA 80 -3.037 -4.205 -6.172 537 HB3 ALA 80 3HB ALA 80 -3.392 -4.889 -7.757 538 H LEU 81 H LEU 81 -0.757 -2.665 -5.521 539 HA LEU 81 HA LEU 81 -2.134 -0.160 -6.232 540 HB2 LEU 81 2HB LEU 81 -1.731 -0.213 -3.453 541 HB3 LEU 81 1HB LEU 81 -3.245 -0.315 -4.331 542 HG LEU 81 HG LEU 81 -2.123 -2.901 -4.383 543 HD11 LEU 81 1HD1 LEU 81 -1.264 -1.453 -2.069 544 HD12 LEU 81 2HD1 LEU 81 -2.399 -2.715 -1.586 545 HD13 LEU 81 3HD1 LEU 81 -0.957 -3.132 -2.510 546 HD21 LEU 81 3HD2 LEU 81 -4.305 -1.964 -2.552 547 HD22 LEU 81 1HD2 LEU 81 -4.521 -2.033 -4.301 548 HD23 LEU 81 2HD2 LEU 81 -4.153 -3.505 -3.397 549 H VAL 82 H VAL 82 0.854 -1.380 -6.130 550 HA VAL 82 HA VAL 82 2.013 1.070 -4.981 551 HB VAL 82 HB VAL 82 3.511 -1.501 -5.486 552 HG11 VAL 82 1HG1 VAL 82 5.136 -0.541 -3.918 553 HG12 VAL 82 2HG1 VAL 82 4.899 0.483 -5.335 554 HG13 VAL 82 3HG1 VAL 82 4.148 0.916 -3.800 555 HG21 VAL 82 3HG2 VAL 82 2.076 -2.263 -3.870 556 HG22 VAL 82 1HG2 VAL 82 3.354 -1.571 -2.872 557 HG23 VAL 82 2HG2 VAL 82 1.864 -0.667 -3.144 558 H ASP 83 H ASP 83 3.281 2.338 -6.218 559 HA ASP 83 HA ASP 83 3.742 1.459 -8.993 560 HB2 ASP 83 2HB ASP 83 2.053 3.427 -8.431 561 HB3 ASP 83 1HB ASP 83 3.533 4.371 -8.324 562 H HIS 84 H HIS 84 5.571 2.787 -10.016 563 HA HIS 84 HA HIS 84 7.690 3.213 -8.022 564 HB2 HIS 84 2HB HIS 84 7.670 0.953 -9.432 565 HB3 HIS 84 1HB HIS 84 8.457 1.994 -10.620 566 HD1 HIS 84 1HD HIS 84 10.426 3.582 -9.166 567 HD2 HIS 84 2HD HIS 84 9.575 -0.328 -8.041 568 HE1 HIS 84 1HE HIS 84 12.393 2.829 -7.807 569 HE2 HIS 84 2HE HIS 84 11.790 0.515 -7.004 570 H THR 85 H THR 85 7.739 5.384 -8.194 571 HA THR 85 HA THR 85 8.261 6.548 -10.824 572 HB THR 85 HB THR 85 8.189 8.726 -9.591 573 HG1 THR 85 1HG THR 85 7.546 8.713 -7.423 574 HG21 THR 85 3HG2 THR 85 5.751 7.000 -9.129 575 HG22 THR 85 1HG2 THR 85 6.175 7.746 -10.671 576 HG23 THR 85 2HG2 THR 85 5.790 8.758 -9.280 577 H GLU 86 H GLU 86 9.949 8.589 -10.237 578 HA GLU 86 HA GLU 86 12.451 7.258 -9.697 579 HB2 GLU 86 2HB GLU 86 12.162 10.221 -10.021 580 HB3 GLU 86 1HB GLU 86 13.480 9.174 -10.532 581 HG2 GLU 86 2HG GLU 86 11.397 8.211 -12.002 582 HG3 GLU 86 1HG GLU 86 11.026 9.933 -11.922 583 H GLU 87 H GLU 87 10.132 8.156 -7.715 584 HA GLU 87 HA GLU 87 11.887 9.281 -5.644 585 HB2 GLU 87 2HB GLU 87 8.875 9.004 -5.669 586 HB3 GLU 87 1HB GLU 87 9.826 9.837 -4.449 587 HG2 GLU 87 2HG GLU 87 9.684 11.715 -5.610 588 HG3 GLU 87 1HG GLU 87 10.486 10.945 -6.976 589 H GLY 88 H GLY 88 11.085 6.375 -6.792 590 HA2 GLY 88 1HA GLY 88 11.773 4.365 -5.697 591 HA3 GLY 88 2HA GLY 88 11.368 5.105 -4.157 592 HA PRO 89 HA PRO 89 7.796 2.299 -5.158 593 HB2 PRO 89 2HB PRO 89 8.038 1.844 -2.253 594 HB3 PRO 89 1HB PRO 89 7.885 0.666 -3.560 595 HG2 PRO 89 2HG PRO 89 10.199 0.994 -2.258 596 HG3 PRO 89 1HG PRO 89 10.160 0.662 -4.001 597 HD2 PRO 89 2HD PRO 89 10.584 3.268 -2.572 598 HD3 PRO 89 1HD PRO 89 11.419 2.615 -3.998 599 H VAL 90 H VAL 90 5.982 3.477 -5.278 600 HA VAL 90 HA VAL 90 5.298 5.252 -3.036 601 HB VAL 90 HB VAL 90 4.509 6.903 -4.858 602 HG11 VAL 90 1HG1 VAL 90 7.209 7.413 -5.125 603 HG12 VAL 90 2HG1 VAL 90 6.168 7.964 -3.811 604 HG13 VAL 90 3HG1 VAL 90 7.108 6.482 -3.629 605 HG21 VAL 90 3HG2 VAL 90 6.287 6.718 -6.808 606 HG22 VAL 90 1HG2 VAL 90 6.178 5.000 -6.422 607 HG23 VAL 90 2HG2 VAL 90 4.731 5.890 -6.898 608 H CYS 91 H CYS 91 3.049 6.289 -3.557 609 HA CYS 91 HA CYS 91 1.159 4.180 -3.703 610 HB2 CYS 91 2HB CYS 91 1.165 6.891 -2.894 611 HB3 CYS 91 1HB CYS 91 -0.066 6.747 -4.150 612 H LYS 92 H LYS 92 0.069 3.379 -5.388 613 HA LYS 92 HA LYS 92 0.733 4.303 -8.039 614 HB2 LYS 92 2HB LYS 92 0.457 1.869 -7.287 615 HB3 LYS 92 1HB LYS 92 -1.275 2.171 -7.353 616 HG2 LYS 92 2HG LYS 92 -1.315 2.257 -9.623 617 HG3 LYS 92 1HG LYS 92 0.337 2.866 -9.740 618 HD2 LYS 92 2HD LYS 92 1.263 0.776 -9.596 619 HD3 LYS 92 1HD LYS 92 -0.100 0.125 -8.686 620 HE2 LYS 92 2HE LYS 92 -0.785 1.001 -11.389 621 HE3 LYS 92 1HE LYS 92 0.381 -0.322 -11.338 622 HZ1 LYS 92 3HZ LYS 92 -1.191 -1.743 -10.712 623 HZ2 LYS 92 1HZ LYS 92 -2.331 -0.547 -11.106 624 HZ3 LYS 92 2HZ LYS 92 -1.782 -0.708 -9.508 625 H ASN 93 H ASN 93 -1.972 4.493 -5.843 626 HA ASN 93 HA ASN 93 -3.395 6.146 -7.780 627 HB2 ASN 93 2HB ASN 93 -4.186 3.457 -7.040 628 HB3 ASN 93 1HB ASN 93 -5.439 4.628 -6.639 629 HD21 ASN 93 1HD2 ASN 93 -3.345 3.517 -9.244 630 HD22 ASN 93 2HD2 ASN 93 -4.424 3.922 -10.529 631 H ILE 94 H ILE 94 -4.882 4.754 -4.925 632 HA ILE 94 HA ILE 94 -5.120 7.507 -3.918 633 HB ILE 94 HB ILE 94 -7.279 7.126 -3.264 634 HG12 ILE 94 2HG1 ILE 94 -6.680 4.170 -3.090 635 HG13 ILE 94 1HG1 ILE 94 -6.795 5.278 -1.725 636 HG21 ILE 94 1HG2 ILE 94 -7.601 4.894 -5.127 637 HG22 ILE 94 2HG2 ILE 94 -8.320 6.505 -5.156 638 HG23 ILE 94 3HG2 ILE 94 -6.689 6.252 -5.785 639 HD11 ILE 94 3HD1 ILE 94 -8.936 4.721 -1.576 640 HD12 ILE 94 1HD1 ILE 94 -9.203 5.565 -3.101 641 HD13 ILE 94 2HD1 ILE 94 -8.868 3.834 -3.099 642 H VAL 95 H VAL 95 -4.930 7.941 -1.726 643 HA VAL 95 HA VAL 95 -3.284 6.002 -0.270 644 HB VAL 95 HB VAL 95 -2.192 8.121 -0.545 645 HG11 VAL 95 1HG1 VAL 95 -4.528 9.305 -0.754 646 HG12 VAL 95 2HG1 VAL 95 -4.258 9.644 0.956 647 HG13 VAL 95 3HG1 VAL 95 -3.093 10.195 -0.247 648 HG21 VAL 95 3HG2 VAL 95 -2.758 7.007 1.984 649 HG22 VAL 95 1HG2 VAL 95 -1.353 7.956 1.498 650 HG23 VAL 95 2HG2 VAL 95 -2.769 8.761 2.174 651 H ALA 96 H ALA 96 -3.810 5.299 1.772 652 HA ALA 96 HA ALA 96 -6.311 6.199 2.971 653 HB1 ALA 96 1HB ALA 96 -6.197 3.931 1.303 654 HB2 ALA 96 2HB ALA 96 -6.359 3.342 2.956 655 HB3 ALA 96 3HB ALA 96 -7.541 4.478 2.304 656 H CYS 97 H CYS 97 -6.671 5.333 5.111 657 HA CYS 97 HA CYS 97 -4.183 4.483 6.425 658 HB2 CYS 97 2HB CYS 97 -6.452 6.182 7.286 659 HB3 CYS 97 1HB CYS 97 -5.827 5.071 8.501 660 H CYS 98 H CYS 98 -4.054 2.391 6.680 661 HA CYS 98 HA CYS 98 -6.536 0.833 6.977 662 HB2 CYS 98 2HB CYS 98 -5.477 0.860 4.654 663 HB3 CYS 98 1HB CYS 98 -4.136 -0.027 5.359 664 HA PRO 99 HA PRO 99 -4.036 -0.482 10.521 665 HB2 PRO 99 2HB PRO 99 -6.039 -1.832 11.768 666 HB3 PRO 99 1HB PRO 99 -5.887 -0.072 11.826 667 HG2 PRO 99 2HG PRO 99 -7.629 -1.756 10.068 668 HG3 PRO 99 1HG PRO 99 -8.047 -0.288 10.976 669 HD2 PRO 99 2HD PRO 99 -7.499 -0.234 8.334 670 HD3 PRO 99 1HD PRO 99 -7.058 1.107 9.413 671 H GLU 100 H GLU 100 -2.675 -2.175 10.375 672 HA GLU 100 HA GLU 100 -3.355 -4.574 8.953 673 HB2 GLU 100 2HB GLU 100 -0.984 -3.358 9.651 674 HB3 GLU 100 1HB GLU 100 -1.043 -4.719 10.761 675 HG2 GLU 100 2HG GLU 100 -0.220 -5.983 9.141 676 HG3 GLU 100 1HG GLU 100 -1.752 -5.792 8.292 677 H GLY 101 H GLY 101 -4.906 -5.827 9.857 678 HA2 GLY 101 1HA GLY 101 -4.446 -7.531 11.930 679 HA3 GLY 101 2HA GLY 101 -5.154 -6.121 12.702 680 H THR 102 H THR 102 -7.233 -5.329 11.516 681 HA THR 102 HA THR 102 -8.816 -7.390 10.275 682 HB THR 102 HB THR 102 -10.359 -6.650 12.568 683 HG1 THR 102 1HG THR 102 -7.766 -7.680 13.115 684 HG21 THR 102 3HG2 THR 102 -9.299 -9.397 12.347 685 HG22 THR 102 1HG2 THR 102 -10.174 -8.786 10.944 686 HG23 THR 102 2HG2 THR 102 -10.961 -8.834 12.522 687 H THR 103 H THR 103 -10.899 -6.648 9.621 688 HA THR 103 HA THR 103 -12.614 -5.248 9.163 689 HB THR 103 HB THR 103 -11.540 -3.110 10.981 690 HG1 THR 103 1HG THR 103 -12.335 -5.710 11.643 691 HG21 THR 103 3HG2 THR 103 -14.145 -3.341 11.562 692 HG22 THR 103 1HG2 THR 103 -14.178 -3.979 9.921 693 HG23 THR 103 2HG2 THR 103 -13.559 -2.354 10.220 694 H ASN 104 H ASN 104 -13.108 -3.011 8.315 695 HA ASN 104 HA ASN 104 -11.426 -2.762 6.026 696 HB2 ASN 104 2HB ASN 104 -13.146 -0.963 5.403 697 HB3 ASN 104 1HB ASN 104 -13.715 -2.619 5.546 698 HD21 ASN 104 1HD2 ASN 104 -13.030 -0.269 8.114 699 HD22 ASN 104 2HD2 ASN 104 -14.651 -0.219 8.730 700 H CYS 105 H CYS 105 -10.852 -0.639 5.126 701 HA CYS 105 HA CYS 105 -9.680 1.062 7.231 702 HB2 CYS 105 2HB CYS 105 -8.477 0.495 4.526 703 HB3 CYS 105 1HB CYS 105 -7.700 1.212 5.934 704 H VAL 106 H VAL 106 -9.620 3.267 6.856 705 HA VAL 106 HA VAL 106 -11.580 4.216 4.928 706 HB VAL 106 HB VAL 106 -11.944 6.007 6.283 707 HG11 VAL 106 1HG1 VAL 106 -11.784 5.446 8.611 708 HG12 VAL 106 2HG1 VAL 106 -12.117 3.973 7.699 709 HG13 VAL 106 3HG1 VAL 106 -10.485 4.297 8.289 710 HG21 VAL 106 3HG2 VAL 106 -9.054 5.983 7.141 711 HG22 VAL 106 1HG2 VAL 106 -9.767 7.046 5.928 712 HG23 VAL 106 2HG2 VAL 106 -10.260 7.178 7.617 713 H ALA 107 H ALA 107 -11.143 5.827 3.394 714 HA ALA 107 HA ALA 107 -8.295 6.122 2.711 715 HB1 ALA 107 1HB ALA 107 -8.961 5.343 0.721 716 HB2 ALA 107 2HB ALA 107 -10.666 5.556 1.122 717 HB3 ALA 107 3HB ALA 107 -9.735 6.910 0.484 718 H VAL 108 H VAL 108 -7.444 8.160 2.353 719 HA VAL 108 HA VAL 108 -9.156 10.358 3.246 720 HB VAL 108 HB VAL 108 -6.837 9.723 4.315 721 HG11 VAL 108 1HG1 VAL 108 -5.094 9.979 2.976 722 HG12 VAL 108 2HG1 VAL 108 -6.074 10.775 1.744 723 HG13 VAL 108 3HG1 VAL 108 -5.375 11.719 3.060 724 HG21 VAL 108 3HG2 VAL 108 -6.528 12.198 4.847 725 HG22 VAL 108 1HG2 VAL 108 -7.920 12.472 3.800 726 HG23 VAL 108 2HG2 VAL 108 -8.085 11.469 5.240 727 H ASP 109 H ASP 109 -8.218 9.041 0.482 728 HA ASP 109 HA ASP 109 -7.964 11.566 -0.983 729 HB2 ASP 109 2HB ASP 109 -6.318 10.124 -1.797 730 HB3 ASP 109 1HB ASP 109 -7.349 8.703 -1.660 731 H ASN 110 H ASN 110 -9.309 11.717 -3.045 732 HA ASN 110 HA ASN 110 -11.925 10.433 -2.653 733 HB2 ASN 110 2HB ASN 110 -11.258 13.303 -2.689 734 HB3 ASN 110 1HB ASN 110 -12.664 12.845 -3.644 735 HD21 ASN 110 1HD2 ASN 110 -11.318 13.126 -0.468 736 HD22 ASN 110 2HD2 ASN 110 -12.791 12.838 0.399 737 H ALA 111 H ALA 111 -9.407 10.947 -4.804 738 HA ALA 111 HA ALA 111 -11.018 10.133 -7.042 739 HB1 ALA 111 1HB ALA 111 -9.959 12.941 -6.940 740 HB2 ALA 111 2HB ALA 111 -10.397 12.135 -8.446 741 HB3 ALA 111 3HB ALA 111 -11.619 12.403 -7.202 742 H GLY 112 H GLY 112 -8.464 9.408 -5.579 743 HA2 GLY 112 1HA GLY 112 -6.534 8.331 -6.225 744 HA3 GLY 112 2HA GLY 112 -7.054 8.523 -7.894 745 H ALA 113 H ALA 113 -6.562 11.166 -5.623 746 HA ALA 113 HA ALA 113 -4.662 12.338 -7.493 747 HB1 ALA 113 1HB ALA 113 -6.591 13.608 -6.432 748 HB2 ALA 113 2HB ALA 113 -5.639 13.603 -4.948 749 HB3 ALA 113 3HB ALA 113 -5.009 14.388 -6.398 750 H GLY 114 H GLY 114 -3.207 10.466 -6.851 751 HA2 GLY 114 1HA GLY 114 -1.805 10.914 -4.332 752 HA3 GLY 114 2HA GLY 114 -1.559 9.566 -5.433 753 H THR 115 H THR 115 -1.280 13.128 -5.517 754 HA THR 115 HA THR 115 0.805 13.106 -7.440 755 HB THR 115 HB THR 115 0.962 15.518 -5.976 756 HG1 THR 115 1HG THR 115 -1.212 16.113 -5.793 757 HG21 THR 115 3HG2 THR 115 -0.137 16.453 -7.994 758 HG22 THR 115 1HG2 THR 115 -0.502 14.812 -8.525 759 HG23 THR 115 2HG2 THR 115 1.174 15.341 -8.390 760 H LYS 116 H LYS 116 0.722 12.642 -4.054 761 HA LYS 116 HA LYS 116 2.285 12.223 -2.478 762 HB2 LYS 116 2HB LYS 116 4.247 12.303 -4.776 763 HB3 LYS 116 1HB LYS 116 4.622 11.779 -3.140 764 HG2 LYS 116 2HG LYS 116 3.351 9.847 -3.332 765 HG3 LYS 116 1HG LYS 116 2.450 10.460 -4.720 766 HD2 LYS 116 2HD LYS 116 5.362 10.277 -5.091 767 HD3 LYS 116 1HD LYS 116 4.534 8.733 -4.884 768 HE2 LYS 116 2HE LYS 116 3.958 8.825 -7.028 769 HE3 LYS 116 1HE LYS 116 2.938 10.212 -6.643 770 HZ1 LYS 116 3HZ LYS 116 5.827 10.482 -7.271 771 HZ2 LYS 116 1HZ LYS 116 4.640 11.694 -7.238 772 HZ3 LYS 116 2HZ LYS 116 4.617 10.535 -8.469 773 H ALA 117 H ALA 117 4.210 14.287 -4.637 774 HA ALA 117 HA ALA 117 4.184 16.342 -2.527 775 HB1 ALA 117 1HB ALA 117 6.428 16.440 -4.415 776 HB2 ALA 117 2HB ALA 117 6.414 16.620 -2.662 777 HB3 ALA 117 3HB ALA 117 6.409 15.009 -3.383 778 H GLU 118 H GLU 118 2.990 18.001 -3.149 779 HA GLU 118 HA GLU 118 3.083 18.893 -5.939 780 HB2 GLU 118 2HB GLU 118 1.070 17.574 -5.782 781 HB3 GLU 118 1HB GLU 118 0.613 18.352 -4.275 782 HG2 GLU 118 2HG GLU 118 0.220 20.435 -5.438 783 HG3 GLU 118 1HG GLU 118 0.780 19.719 -6.950 Start of MODEL 11 1 H1 SER 1 1H SER 1 14.019 -10.702 -12.722 2 H2 SER 1 2H SER 1 13.661 -9.176 -12.079 3 H3 SER 1 3H SER 1 12.551 -10.445 -11.919 4 HA SER 1 HA SER 1 14.692 -11.536 -10.788 5 HB2 SER 1 2HB SER 1 14.770 -8.826 -9.576 6 HB3 SER 1 1HB SER 1 16.065 -10.009 -9.781 7 HG SER 1 HG SER 1 16.434 -9.302 -11.795 8 H LEU 2 H LEU 2 14.190 -12.174 -8.677 9 HA LEU 2 HA LEU 2 11.655 -11.119 -7.594 10 HB2 LEU 2 2HB LEU 2 12.474 -14.019 -7.499 11 HB3 LEU 2 1HB LEU 2 10.932 -13.331 -7.029 12 HG LEU 2 HG LEU 2 11.320 -12.657 -9.748 13 HD11 LEU 2 1HD1 LEU 2 11.873 -14.607 -10.860 14 HD12 LEU 2 2HD1 LEU 2 13.012 -14.598 -9.514 15 HD13 LEU 2 3HD1 LEU 2 11.574 -15.620 -9.447 16 HD21 LEU 2 3HD2 LEU 2 9.233 -13.224 -8.333 17 HD22 LEU 2 1HD2 LEU 2 9.253 -13.679 -10.036 18 HD23 LEU 2 2HD2 LEU 2 9.566 -14.893 -8.796 19 HA PRO 3 HA PRO 3 14.020 -10.754 -3.845 20 HB2 PRO 3 2HB PRO 3 11.479 -10.705 -2.393 21 HB3 PRO 3 1HB PRO 3 12.672 -9.420 -2.600 22 HG2 PRO 3 2HG PRO 3 10.246 -9.354 -3.792 23 HG3 PRO 3 1HG PRO 3 11.690 -8.637 -4.525 24 HD2 PRO 3 2HD PRO 3 10.358 -11.247 -5.134 25 HD3 PRO 3 1HD PRO 3 11.068 -10.058 -6.247 26 H ALA 4 H ALA 4 11.265 -12.972 -3.967 27 HA ALA 4 HA ALA 4 10.906 -15.058 -3.149 28 HB1 ALA 4 1HB ALA 4 12.837 -16.579 -3.149 29 HB2 ALA 4 2HB ALA 4 12.750 -15.596 -4.610 30 HB3 ALA 4 3HB ALA 4 13.911 -15.193 -3.345 31 H SER 5 H SER 5 11.126 -12.956 -1.189 32 HA SER 5 HA SER 5 11.150 -12.637 1.047 33 HB2 SER 5 2HB SER 5 11.400 -15.634 1.311 34 HB3 SER 5 1HB SER 5 10.750 -14.505 2.499 35 HG SER 5 HG SER 5 9.156 -13.983 0.777 36 H ALA 6 H ALA 6 13.717 -13.016 -0.544 37 HA ALA 6 HA ALA 6 15.561 -13.646 1.628 38 HB1 ALA 6 1HB ALA 6 15.697 -13.896 -1.166 39 HB2 ALA 6 2HB ALA 6 16.875 -12.661 -0.723 40 HB3 ALA 6 3HB ALA 6 16.957 -14.260 0.014 41 H ALA 7 H ALA 7 13.869 -11.019 0.510 42 HA ALA 7 HA ALA 7 15.983 -9.076 1.040 43 HB1 ALA 7 1HB ALA 7 13.971 -7.516 0.282 44 HB2 ALA 7 2HB ALA 7 14.996 -8.366 -0.878 45 HB3 ALA 7 3HB ALA 7 13.421 -9.026 -0.444 46 H LYS 8 H LYS 8 12.506 -8.703 1.655 47 HA LYS 8 HA LYS 8 11.393 -7.729 3.374 48 HB2 LYS 8 2HB LYS 8 12.563 -9.882 4.475 49 HB3 LYS 8 1HB LYS 8 13.375 -8.629 5.404 50 HG2 LYS 8 2HG LYS 8 11.471 -7.991 6.485 51 HG3 LYS 8 1HG LYS 8 10.420 -8.491 5.156 52 HD2 LYS 8 2HD LYS 8 11.054 -10.877 5.743 53 HD3 LYS 8 1HD LYS 8 11.771 -10.220 7.217 54 HE2 LYS 8 2HE LYS 8 9.545 -9.178 7.720 55 HE3 LYS 8 1HE LYS 8 8.882 -10.081 6.358 56 HZ1 LYS 8 3HZ LYS 8 9.255 -10.941 8.992 57 HZ2 LYS 8 1HZ LYS 8 10.303 -11.850 8.016 58 HZ3 LYS 8 2HZ LYS 8 8.638 -11.825 7.684 59 H ASN 9 H ASN 9 12.452 -5.833 2.195 60 HA ASN 9 HA ASN 9 14.549 -4.569 3.811 61 HB2 ASN 9 2HB ASN 9 15.286 -3.408 1.897 62 HB3 ASN 9 1HB ASN 9 14.919 -5.031 1.331 63 HD21 ASN 9 1HD2 ASN 9 12.729 -5.310 0.364 64 HD22 ASN 9 2HD2 ASN 9 12.102 -4.018 -0.587 65 H ALA 10 H ALA 10 11.447 -3.862 2.253 66 HA ALA 10 HA ALA 10 9.941 -2.195 2.524 67 HB1 ALA 10 1HB ALA 10 9.341 -3.210 4.514 68 HB2 ALA 10 2HB ALA 10 10.851 -2.771 5.315 69 HB3 ALA 10 3HB ALA 10 9.631 -1.539 4.998 70 H LYS 11 H LYS 11 11.491 -0.777 1.253 71 HA LYS 11 HA LYS 11 12.950 1.299 2.444 72 HB2 LYS 11 2HB LYS 11 11.329 1.233 -0.093 73 HB3 LYS 11 1HB LYS 11 12.230 2.650 0.402 74 HG2 LYS 11 2HG LYS 11 14.265 1.064 0.493 75 HG3 LYS 11 1HG LYS 11 13.271 0.001 -0.509 76 HD2 LYS 11 2HD LYS 11 13.202 1.518 -2.276 77 HD3 LYS 11 1HD LYS 11 13.601 2.885 -1.237 78 HE2 LYS 11 2HE LYS 11 15.877 1.961 -0.959 79 HE3 LYS 11 1HE LYS 11 15.465 0.666 -2.083 80 HZ1 LYS 11 3HZ LYS 11 15.338 2.153 -3.862 81 HZ2 LYS 11 1HZ LYS 11 16.688 2.698 -2.993 82 HZ3 LYS 11 2HZ LYS 11 15.214 3.517 -2.856 83 H LEU 12 H LEU 12 9.965 2.013 0.790 84 HA LEU 12 HA LEU 12 8.078 3.128 1.285 85 HB2 LEU 12 2HB LEU 12 8.446 1.538 3.430 86 HB3 LEU 12 1HB LEU 12 8.494 3.108 4.208 87 HG LEU 12 HG LEU 12 6.238 1.823 4.009 88 HD11 LEU 12 1HD1 LEU 12 6.711 4.732 3.489 89 HD12 LEU 12 2HD1 LEU 12 5.084 4.073 3.671 90 HD13 LEU 12 3HD1 LEU 12 6.244 3.936 4.993 91 HD21 LEU 12 3HD2 LEU 12 6.688 2.839 1.236 92 HD22 LEU 12 1HD2 LEU 12 5.965 1.320 1.773 93 HD23 LEU 12 2HD2 LEU 12 5.055 2.826 1.902 94 H ALA 13 H ALA 13 10.578 4.092 3.619 95 HA ALA 13 HA ALA 13 9.640 6.821 3.625 96 HB1 ALA 13 1HB ALA 13 12.231 6.504 4.829 97 HB2 ALA 13 2HB ALA 13 10.693 6.930 5.579 98 HB3 ALA 13 3HB ALA 13 11.137 5.234 5.376 99 H THR 14 H THR 14 12.184 4.964 2.132 100 HA THR 14 HA THR 14 13.740 7.184 1.269 101 HB THR 14 HB THR 14 14.106 4.831 -0.366 102 HG1 THR 14 1HG THR 14 14.713 4.135 2.234 103 HG21 THR 14 3HG2 THR 14 15.631 6.661 1.344 104 HG22 THR 14 1HG2 THR 14 16.080 5.898 -0.183 105 HG23 THR 14 2HG2 THR 14 16.249 5.010 1.330 106 H SER 15 H SER 15 10.729 6.351 0.351 107 HA SER 15 HA SER 15 10.939 6.948 -2.464 108 HB2 SER 15 2HB SER 15 8.515 6.945 -2.450 109 HB3 SER 15 1HB SER 15 9.080 5.564 -1.512 110 HG SER 15 HG SER 15 8.249 6.406 0.245 111 H ALA 16 H ALA 16 10.406 8.607 0.551 112 HA ALA 16 HA ALA 16 10.243 10.775 1.183 113 HB1 ALA 16 1HB ALA 16 10.832 12.056 -1.368 114 HB2 ALA 16 2HB ALA 16 11.654 12.196 0.186 115 HB3 ALA 16 3HB ALA 16 12.036 10.857 -0.899 116 H ALA 17 H ALA 17 9.070 10.423 -2.136 117 HA ALA 17 HA ALA 17 7.107 12.443 -1.965 118 HB1 ALA 17 1HB ALA 17 7.066 12.110 -4.150 119 HB2 ALA 17 2HB ALA 17 8.197 10.773 -3.928 120 HB3 ALA 17 3HB ALA 17 6.458 10.468 -3.932 121 H PHE 18 H PHE 18 7.072 9.059 -1.059 122 HA PHE 18 HA PHE 18 4.184 9.100 -0.709 123 HB2 PHE 18 2HB PHE 18 5.257 6.997 -1.413 124 HB3 PHE 18 1HB PHE 18 6.180 6.967 0.086 125 HD1 PHE 18 1HD PHE 18 2.597 7.535 -0.791 126 HD2 PHE 18 2HD PHE 18 5.412 5.360 1.549 127 HE1 PHE 18 1HE PHE 18 0.753 6.356 0.319 128 HE2 PHE 18 2HE PHE 18 3.565 4.170 2.664 129 HZ PHE 18 HZ PHE 18 1.230 4.670 2.048 130 H ALA 19 H ALA 19 7.060 9.628 1.134 131 HA ALA 19 HA ALA 19 5.970 9.316 3.715 132 HB1 ALA 19 1HB ALA 19 8.273 11.011 2.780 133 HB2 ALA 19 2HB ALA 19 7.874 10.693 4.468 134 HB3 ALA 19 3HB ALA 19 8.350 9.366 3.410 135 H LYS 20 H LYS 20 6.180 12.126 1.558 136 HA LYS 20 HA LYS 20 4.969 13.936 3.390 137 HB2 LYS 20 2HB LYS 20 4.859 15.478 1.588 138 HB3 LYS 20 1HB LYS 20 6.331 14.554 1.333 139 HG2 LYS 20 2HG LYS 20 4.618 13.092 -0.132 140 HG3 LYS 20 1HG LYS 20 3.865 14.680 -0.274 141 HD2 LYS 20 2HD LYS 20 6.749 14.781 -0.623 142 HD3 LYS 20 1HD LYS 20 5.967 13.718 -1.794 143 HE2 LYS 20 2HE LYS 20 5.858 16.644 -1.515 144 HE3 LYS 20 1HE LYS 20 5.697 15.640 -2.953 145 HZ1 LYS 20 3HZ LYS 20 3.572 16.093 -0.911 146 HZ2 LYS 20 1HZ LYS 20 3.417 15.156 -2.321 147 HZ3 LYS 20 2HZ LYS 20 3.645 16.826 -2.437 148 H GLN 21 H GLN 21 3.811 11.525 1.249 149 HA GLN 21 HA GLN 21 1.082 12.363 1.109 150 HB2 GLN 21 2HB GLN 21 2.720 10.418 -0.080 151 HB3 GLN 21 1HB GLN 21 1.497 9.514 0.794 152 HG2 GLN 21 2HG GLN 21 -0.243 10.434 -0.474 153 HG3 GLN 21 1HG GLN 21 0.778 11.743 -1.077 154 HE21 GLN 21 1HE2 GLN 21 3.012 9.848 -1.518 155 HE22 GLN 21 2HE2 GLN 21 2.609 9.002 -2.968 156 H ALA 22 H ALA 22 3.020 10.353 3.207 157 HA ALA 22 HA ALA 22 0.937 9.000 4.558 158 HB1 ALA 22 1HB ALA 22 2.813 8.721 6.329 159 HB2 ALA 22 2HB ALA 22 2.997 7.961 4.749 160 HB3 ALA 22 3HB ALA 22 3.840 9.468 5.106 161 H GLU 23 H GLU 23 2.131 12.195 4.814 162 HA GLU 23 HA GLU 23 1.222 12.561 7.541 163 HB2 GLU 23 2HB GLU 23 2.372 14.483 5.519 164 HB3 GLU 23 1HB GLU 23 1.909 14.938 7.152 165 HG2 GLU 23 2HG GLU 23 3.516 12.888 7.734 166 HG3 GLU 23 1HG GLU 23 4.234 13.382 6.203 167 H GLY 24 H GLY 24 -0.308 12.335 4.658 168 HA2 GLY 24 1HA GLY 24 -2.131 14.539 4.832 169 HA3 GLY 24 2HA GLY 24 -2.307 13.117 3.811 170 H THR 25 H THR 25 -1.988 11.365 6.219 171 HA THR 25 HA THR 25 -4.512 11.865 7.625 172 HB THR 25 HB THR 25 -3.993 9.049 6.817 173 HG1 THR 25 1HG THR 25 -4.228 11.059 5.000 174 HG21 THR 25 3HG2 THR 25 -5.955 9.154 7.982 175 HG22 THR 25 1HG2 THR 25 -6.587 9.447 6.362 176 HG23 THR 25 2HG2 THR 25 -6.307 10.801 7.458 177 H THR 26 H THR 26 -4.713 10.229 9.521 178 HA THR 26 HA THR 26 -2.283 10.098 10.987 179 HB THR 26 HB THR 26 -4.280 8.227 11.927 180 HG1 THR 26 1HG THR 26 -6.055 9.486 11.937 181 HG21 THR 26 3HG2 THR 26 -2.476 10.025 12.986 182 HG22 THR 26 1HG2 THR 26 -3.681 9.116 13.895 183 HG23 THR 26 2HG2 THR 26 -4.040 10.756 13.352 184 H CYS 27 H CYS 27 -0.727 8.885 9.994 185 HA CYS 27 HA CYS 27 -1.366 6.058 9.518 186 HB2 CYS 27 2HB CYS 27 0.317 7.832 7.745 187 HB3 CYS 27 1HB CYS 27 0.043 6.111 7.506 188 H ASN 28 H ASN 28 0.066 4.633 10.277 189 HA ASN 28 HA ASN 28 2.772 5.471 10.964 190 HB2 ASN 28 2HB ASN 28 0.666 5.090 12.904 191 HB3 ASN 28 1HB ASN 28 1.923 3.879 13.134 192 HD21 ASN 28 1HD2 ASN 28 2.202 7.230 12.013 193 HD22 ASN 28 2HD2 ASN 28 3.220 7.753 13.313 194 H VAL 29 H VAL 29 3.481 3.120 12.349 195 HA VAL 29 HA VAL 29 3.848 1.297 10.240 196 HB VAL 29 HB VAL 29 5.181 1.552 12.470 197 HG11 VAL 29 1HG1 VAL 29 3.858 1.017 14.231 198 HG12 VAL 29 2HG1 VAL 29 2.871 -0.110 13.297 199 HG13 VAL 29 3HG1 VAL 29 4.467 -0.597 13.873 200 HG21 VAL 29 3HG2 VAL 29 4.673 -1.182 11.310 201 HG22 VAL 29 1HG2 VAL 29 5.727 0.044 10.603 202 HG23 VAL 29 2HG2 VAL 29 6.116 -0.654 12.176 203 H GLY 30 H GLY 30 2.741 -0.460 9.580 204 HA2 GLY 30 1HA GLY 30 1.065 -2.025 9.422 205 HA3 GLY 30 2HA GLY 30 0.749 -1.772 11.130 206 H SER 31 H SER 31 0.498 1.236 10.034 207 HA SER 31 HA SER 31 -2.358 0.937 9.384 208 HB2 SER 31 2HB SER 31 -1.894 3.579 10.237 209 HB3 SER 31 1HB SER 31 -2.724 2.304 11.124 210 HG SER 31 HG SER 31 -0.462 1.659 11.742 211 H ILE 32 H ILE 32 0.573 1.709 8.093 212 HA ILE 32 HA ILE 32 -0.407 3.788 6.316 213 HB ILE 32 HB ILE 32 2.049 3.437 7.464 214 HG12 ILE 32 2HG1 ILE 32 2.238 4.852 4.924 215 HG13 ILE 32 1HG1 ILE 32 0.797 5.272 5.846 216 HG21 ILE 32 1HG2 ILE 32 3.645 2.967 5.650 217 HG22 ILE 32 2HG2 ILE 32 2.684 1.563 6.115 218 HG23 ILE 32 3HG2 ILE 32 2.296 2.446 4.639 219 HD11 ILE 32 3HD1 ILE 32 2.001 6.592 7.134 220 HD12 ILE 32 1HD1 ILE 32 3.000 5.223 7.627 221 HD13 ILE 32 2HD1 ILE 32 3.445 6.175 6.211 222 H ALA 33 H ALA 33 -1.005 3.412 4.253 223 HA ALA 33 HA ALA 33 -0.411 0.857 3.011 224 HB1 ALA 33 1HB ALA 33 -2.332 -0.154 3.453 225 HB2 ALA 33 2HB ALA 33 -2.795 1.203 4.480 226 HB3 ALA 33 3HB ALA 33 -3.232 1.200 2.772 227 H CYS 34 H CYS 34 -1.651 0.711 0.878 228 HA CYS 34 HA CYS 34 -2.286 3.304 -0.323 229 HB2 CYS 34 2HB CYS 34 -0.165 1.382 -1.199 230 HB3 CYS 34 1HB CYS 34 -1.107 2.203 -2.442 231 H CYS 35 H CYS 35 -3.827 3.123 -2.020 232 HA CYS 35 HA CYS 35 -5.031 0.454 -2.255 233 HB2 CYS 35 2HB CYS 35 -6.143 2.549 -0.829 234 HB3 CYS 35 1HB CYS 35 -6.964 2.638 -2.384 235 H ASN 36 H ASN 36 -6.436 0.201 -4.108 236 HA ASN 36 HA ASN 36 -6.191 2.076 -6.292 237 HB2 ASN 36 2HB ASN 36 -4.079 0.635 -6.326 238 HB3 ASN 36 1HB ASN 36 -5.129 -0.731 -6.690 239 HD21 ASN 36 1HD2 ASN 36 -3.542 -0.661 -8.546 240 HD22 ASN 36 2HD2 ASN 36 -4.055 0.210 -9.958 241 H SER 37 H SER 37 -7.532 1.420 -8.116 242 HA SER 37 HA SER 37 -10.075 0.607 -7.509 243 HB2 SER 37 2HB SER 37 -9.225 -0.173 -10.207 244 HB3 SER 37 1HB SER 37 -10.441 1.003 -9.702 245 HG SER 37 HG SER 37 -7.734 1.353 -10.252 246 HA PRO 38 HA PRO 38 -10.028 -3.714 -6.620 247 HB2 PRO 38 2HB PRO 38 -12.500 -4.283 -7.820 248 HB3 PRO 38 1HB PRO 38 -12.239 -3.807 -6.140 249 HG2 PRO 38 2HG PRO 38 -13.075 -2.164 -8.473 250 HG3 PRO 38 1HG PRO 38 -13.547 -2.025 -6.770 251 HD2 PRO 38 2HD PRO 38 -11.810 -0.319 -7.889 252 HD3 PRO 38 1HD PRO 38 -11.627 -0.855 -6.205 253 H ALA 39 H ALA 39 -10.886 -2.646 -9.902 254 HA ALA 39 HA ALA 39 -10.681 -5.147 -11.169 255 HB1 ALA 39 1HB ALA 39 -10.023 -2.497 -12.436 256 HB2 ALA 39 2HB ALA 39 -10.618 -3.958 -13.225 257 HB3 ALA 39 3HB ALA 39 -11.668 -3.055 -12.133 258 H GLU 40 H GLU 40 -8.251 -3.094 -9.911 259 HA GLU 40 HA GLU 40 -6.143 -4.264 -11.552 260 HB2 GLU 40 2HB GLU 40 -6.045 -2.178 -9.363 261 HB3 GLU 40 1HB GLU 40 -4.654 -2.720 -10.290 262 HG2 GLU 40 2HG GLU 40 -6.833 -1.875 -11.999 263 HG3 GLU 40 1HG GLU 40 -6.317 -0.600 -10.896 264 H THR 41 H THR 41 -6.989 -3.941 -8.118 265 HA THR 41 HA THR 41 -4.940 -5.681 -7.220 266 HB THR 41 HB THR 41 -6.259 -3.852 -5.911 267 HG1 THR 41 1HG THR 41 -5.527 -6.350 -4.757 268 HG21 THR 41 3HG2 THR 41 -7.808 -5.861 -4.543 269 HG22 THR 41 1HG2 THR 41 -8.327 -5.698 -6.221 270 HG23 THR 41 2HG2 THR 41 -8.309 -4.287 -5.163 271 H ASN 42 H ASN 42 -8.080 -6.240 -8.494 272 HA ASN 42 HA ASN 42 -8.081 -8.982 -7.444 273 HB2 ASN 42 2HB ASN 42 -10.163 -7.039 -8.063 274 HB3 ASN 42 1HB ASN 42 -10.480 -8.622 -8.761 275 HD21 ASN 42 1HD2 ASN 42 -9.267 -7.255 -5.724 276 HD22 ASN 42 2HD2 ASN 42 -10.190 -8.281 -4.696 277 H ASN 43 H ASN 43 -6.806 -7.536 -9.976 278 HA ASN 43 HA ASN 43 -7.910 -8.859 -12.235 279 HB2 ASN 43 2HB ASN 43 -6.209 -6.807 -12.000 280 HB3 ASN 43 1HB ASN 43 -5.034 -8.093 -12.269 281 HD21 ASN 43 1HD2 ASN 43 -7.343 -6.036 -13.657 282 HD22 ASN 43 2HD2 ASN 43 -7.227 -6.615 -15.288 283 H ASP 44 H ASP 44 -5.392 -9.663 -9.965 284 HA ASP 44 HA ASP 44 -4.819 -12.165 -11.370 285 HB2 ASP 44 2HB ASP 44 -2.979 -10.674 -10.438 286 HB3 ASP 44 1HB ASP 44 -3.546 -11.124 -8.831 287 H SER 45 H SER 45 -5.517 -14.120 -10.604 288 HA SER 45 HA SER 45 -7.676 -14.197 -8.803 289 HB2 SER 45 2HB SER 45 -6.216 -16.727 -9.201 290 HB3 SER 45 1HB SER 45 -7.908 -16.334 -9.508 291 HG SER 45 HG SER 45 -7.241 -15.282 -11.433 292 H LEU 46 H LEU 46 -4.249 -14.419 -8.324 293 HA LEU 46 HA LEU 46 -4.580 -15.467 -5.618 294 HB2 LEU 46 2HB LEU 46 -2.691 -16.069 -7.289 295 HB3 LEU 46 1HB LEU 46 -1.988 -14.538 -6.801 296 HG LEU 46 HG LEU 46 -2.127 -15.393 -4.409 297 HD11 LEU 46 1HD1 LEU 46 -1.944 -18.038 -4.561 298 HD12 LEU 46 2HD1 LEU 46 -3.485 -17.216 -4.310 299 HD13 LEU 46 3HD1 LEU 46 -3.034 -17.776 -5.923 300 HD21 LEU 46 3HD2 LEU 46 -0.346 -16.748 -6.425 301 HD22 LEU 46 1HD2 LEU 46 -0.019 -15.253 -5.546 302 HD23 LEU 46 2HD2 LEU 46 -0.093 -16.790 -4.682 303 H LEU 47 H LEU 47 -4.269 -12.474 -7.262 304 HA LEU 47 HA LEU 47 -2.994 -10.961 -5.235 305 HB2 LEU 47 2HB LEU 47 -3.941 -10.508 -7.829 306 HB3 LEU 47 1HB LEU 47 -4.839 -9.397 -6.812 307 HG LEU 47 HG LEU 47 -1.835 -9.573 -6.701 308 HD11 LEU 47 1HD1 LEU 47 -1.904 -7.526 -8.168 309 HD12 LEU 47 2HD1 LEU 47 -2.261 -9.055 -8.971 310 HD13 LEU 47 3HD1 LEU 47 -3.573 -7.955 -8.548 311 HD21 LEU 47 3HD2 LEU 47 -3.946 -7.864 -5.554 312 HD22 LEU 47 1HD2 LEU 47 -2.360 -8.295 -4.915 313 HD23 LEU 47 2HD2 LEU 47 -2.505 -7.033 -6.138 314 H SER 48 H SER 48 -6.306 -11.884 -5.802 315 HA SER 48 HA SER 48 -7.529 -10.009 -4.077 316 HB2 SER 48 2HB SER 48 -9.162 -12.277 -4.181 317 HB3 SER 48 1HB SER 48 -9.239 -10.862 -5.236 318 HG SER 48 HG SER 48 -8.626 -12.122 -6.784 319 H GLY 49 H GLY 49 -5.686 -12.816 -3.469 320 HA2 GLY 49 1HA GLY 49 -6.638 -12.914 -0.683 321 HA3 GLY 49 2HA GLY 49 -5.668 -14.152 -1.474 322 H LEU 50 H LEU 50 -4.089 -11.820 -2.664 323 HA LEU 50 HA LEU 50 -1.968 -11.943 -0.757 324 HB2 LEU 50 2HB LEU 50 -2.321 -11.235 -3.501 325 HB3 LEU 50 1HB LEU 50 -1.488 -9.922 -2.694 326 HG LEU 50 HG LEU 50 0.201 -11.565 -1.876 327 HD11 LEU 50 1HD1 LEU 50 -0.360 -13.715 -1.942 328 HD12 LEU 50 2HD1 LEU 50 -1.689 -13.410 -3.060 329 HD13 LEU 50 3HD1 LEU 50 -0.054 -13.650 -3.679 330 HD21 LEU 50 3HD2 LEU 50 -0.234 -11.169 -4.829 331 HD22 LEU 50 1HD2 LEU 50 0.821 -10.261 -3.745 332 HD23 LEU 50 2HD2 LEU 50 1.222 -11.923 -4.178 333 H LEU 51 H LEU 51 -4.550 -9.748 -1.370 334 HA LEU 51 HA LEU 51 -3.317 -7.437 -0.221 335 HB2 LEU 51 2HB LEU 51 -5.833 -6.707 -0.121 336 HB3 LEU 51 1HB LEU 51 -4.983 -6.800 -1.652 337 HG LEU 51 HG LEU 51 -6.021 -9.312 -1.482 338 HD11 LEU 51 1HD1 LEU 51 -8.372 -9.066 -0.824 339 HD12 LEU 51 2HD1 LEU 51 -7.281 -8.804 0.535 340 HD13 LEU 51 3HD1 LEU 51 -8.041 -7.427 -0.263 341 HD21 LEU 51 3HD2 LEU 51 -6.785 -6.782 -2.820 342 HD22 LEU 51 1HD2 LEU 51 -6.310 -8.335 -3.512 343 HD23 LEU 51 2HD2 LEU 51 -7.945 -8.110 -2.885 344 H GLY 52 H GLY 52 -4.602 -10.250 1.113 345 HA2 GLY 52 1HA GLY 52 -4.748 -8.945 3.742 346 HA3 GLY 52 2HA GLY 52 -6.073 -9.973 3.218 347 H ALA 53 H ALA 53 -2.712 -9.887 4.195 348 HA ALA 53 HA ALA 53 -2.160 -12.631 3.866 349 HB1 ALA 53 1HB ALA 53 -0.319 -12.127 5.599 350 HB2 ALA 53 2HB ALA 53 -0.268 -11.280 4.053 351 HB3 ALA 53 3HB ALA 53 -0.878 -10.459 5.488 352 H GLY 54 H GLY 54 -3.924 -10.931 6.299 353 HA2 GLY 54 1HA GLY 54 -4.431 -13.471 7.635 354 HA3 GLY 54 2HA GLY 54 -3.750 -12.187 8.622 355 H LEU 55 H LEU 55 -6.396 -12.659 6.280 356 HA LEU 55 HA LEU 55 -8.614 -12.222 6.370 357 HB2 LEU 55 2HB LEU 55 -7.956 -12.430 9.284 358 HB3 LEU 55 1HB LEU 55 -9.572 -11.970 8.780 359 HG LEU 55 HG LEU 55 -9.068 -14.227 7.265 360 HD11 LEU 55 1HD1 LEU 55 -8.453 -15.352 9.849 361 HD12 LEU 55 2HD1 LEU 55 -7.686 -15.635 8.287 362 HD13 LEU 55 3HD1 LEU 55 -7.169 -14.280 9.292 363 HD21 LEU 55 3HD2 LEU 55 -11.178 -14.110 8.125 364 HD22 LEU 55 1HD2 LEU 55 -10.480 -15.290 9.235 365 HD23 LEU 55 2HD2 LEU 55 -10.622 -13.600 9.718 366 H LEU 56 H LEU 56 -6.980 -10.071 5.842 367 HA LEU 56 HA LEU 56 -7.608 -7.789 7.426 368 HB2 LEU 56 2HB LEU 56 -6.134 -8.356 4.934 369 HB3 LEU 56 1HB LEU 56 -6.789 -6.740 5.073 370 HG LEU 56 HG LEU 56 -5.314 -6.127 6.695 371 HD11 LEU 56 1HD1 LEU 56 -5.762 -7.357 8.550 372 HD12 LEU 56 2HD1 LEU 56 -5.711 -8.892 7.682 373 HD13 LEU 56 3HD1 LEU 56 -4.210 -8.077 8.121 374 HD21 LEU 56 3HD2 LEU 56 -3.496 -8.334 6.091 375 HD22 LEU 56 1HD2 LEU 56 -4.188 -7.556 4.669 376 HD23 LEU 56 2HD2 LEU 56 -3.295 -6.598 5.851 377 H ASN 57 H ASN 57 -8.507 -5.764 6.183 378 HA ASN 57 HA ASN 57 -11.061 -6.604 4.998 379 HB2 ASN 57 2HB ASN 57 -10.454 -4.757 7.217 380 HB3 ASN 57 1HB ASN 57 -11.629 -4.161 6.050 381 HD21 ASN 57 1HD2 ASN 57 -13.578 -4.432 6.872 382 HD22 ASN 57 2HD2 ASN 57 -14.167 -5.877 7.629 383 H GLY 58 H GLY 58 -12.069 -4.293 4.112 384 HA2 GLY 58 1HA GLY 58 -10.033 -3.465 2.123 385 HA3 GLY 58 2HA GLY 58 -11.721 -3.747 1.717 386 H LEU 59 H LEU 59 -11.918 -1.637 0.874 387 HA LEU 59 HA LEU 59 -11.377 0.703 2.377 388 HB2 LEU 59 2HB LEU 59 -12.145 0.152 -0.208 389 HB3 LEU 59 1HB LEU 59 -13.588 0.890 0.458 390 HG LEU 59 HG LEU 59 -11.853 2.383 -0.746 391 HD11 LEU 59 1HD1 LEU 59 -12.382 3.617 1.858 392 HD12 LEU 59 2HD1 LEU 59 -12.860 4.125 0.238 393 HD13 LEU 59 3HD1 LEU 59 -13.793 2.891 1.087 394 HD21 LEU 59 3HD2 LEU 59 -10.530 2.059 1.942 395 HD22 LEU 59 1HD2 LEU 59 -9.863 1.599 0.375 396 HD23 LEU 59 2HD2 LEU 59 -10.129 3.300 0.755 397 H SER 60 H SER 60 -12.560 1.790 3.849 398 HA SER 60 HA SER 60 -14.680 0.509 5.190 399 HB2 SER 60 2HB SER 60 -12.983 2.638 5.707 400 HB3 SER 60 1HB SER 60 -14.566 3.401 5.598 401 HG SER 60 HG SER 60 -15.043 2.565 7.457 402 H GLY 61 H GLY 61 -16.532 0.115 4.142 403 HA2 GLY 61 1HA GLY 61 -18.748 0.964 3.799 404 HA3 GLY 61 2HA GLY 61 -18.041 2.473 3.234 405 H ASN 62 H ASN 62 -16.123 1.330 1.472 406 HA ASN 62 HA ASN 62 -17.940 0.616 -0.704 407 HB2 ASN 62 2HB ASN 62 -16.393 2.528 -1.030 408 HB3 ASN 62 1HB ASN 62 -15.028 1.435 -0.824 409 HD21 ASN 62 1HD2 ASN 62 -14.108 1.301 -2.746 410 HD22 ASN 62 2HD2 ASN 62 -14.918 0.928 -4.232 411 H THR 63 H THR 63 -18.283 -1.536 -0.719 412 HA THR 63 HA THR 63 -16.256 -3.442 -0.041 413 HB THR 63 HB THR 63 -18.393 -4.672 -1.483 414 HG1 THR 63 1HG THR 63 -19.945 -3.704 0.312 415 HG21 THR 63 3HG2 THR 63 -18.887 -5.070 1.198 416 HG22 THR 63 1HG2 THR 63 -17.164 -4.696 1.171 417 HG23 THR 63 2HG2 THR 63 -17.790 -6.034 0.208 418 H GLY 64 H GLY 64 -14.720 -2.500 -1.683 419 HA2 GLY 64 1HA GLY 64 -14.705 -4.236 -3.994 420 HA3 GLY 64 2HA GLY 64 -14.900 -2.533 -4.390 421 H SER 65 H SER 65 -13.263 -1.151 -2.932 422 HA SER 65 HA SER 65 -10.676 -1.884 -3.885 423 HB2 SER 65 2HB SER 65 -10.685 0.260 -1.920 424 HB3 SER 65 1HB SER 65 -10.266 0.311 -3.635 425 HG SER 65 HG SER 65 -12.293 0.832 -4.137 426 H ALA 66 H ALA 66 -8.950 -2.661 -2.803 427 HA ALA 66 HA ALA 66 -9.186 -3.109 0.093 428 HB1 ALA 66 1HB ALA 66 -8.478 -5.032 -2.078 429 HB2 ALA 66 2HB ALA 66 -7.653 -5.177 -0.524 430 HB3 ALA 66 3HB ALA 66 -9.412 -5.292 -0.603 431 H CYS 67 H CYS 67 -7.391 -2.433 1.240 432 HA CYS 67 HA CYS 67 -5.162 -1.455 -0.410 433 HB2 CYS 67 2HB CYS 67 -5.686 -0.243 2.262 434 HB3 CYS 67 1HB CYS 67 -5.012 0.486 0.810 435 H ALA 68 H ALA 68 -3.174 -2.085 0.078 436 HA ALA 68 HA ALA 68 -2.884 -3.912 2.359 437 HB1 ALA 68 1HB ALA 68 -1.985 -5.282 0.856 438 HB2 ALA 68 2HB ALA 68 -1.963 -4.022 -0.379 439 HB3 ALA 68 3HB ALA 68 -0.618 -4.172 0.755 440 H LYS 69 H LYS 69 -1.136 -3.724 3.738 441 HA LYS 69 HA LYS 69 -0.270 -0.963 4.026 442 HB2 LYS 69 2HB LYS 69 0.665 -2.556 6.189 443 HB3 LYS 69 1HB LYS 69 -0.605 -1.343 6.198 444 HG2 LYS 69 2HG LYS 69 -1.179 -4.145 5.318 445 HG3 LYS 69 1HG LYS 69 -1.132 -3.721 7.028 446 HD2 LYS 69 2HD LYS 69 -3.035 -2.454 6.906 447 HD3 LYS 69 1HD LYS 69 -2.770 -2.019 5.213 448 HE2 LYS 69 2HE LYS 69 -3.769 -3.908 4.427 449 HE3 LYS 69 1HE LYS 69 -3.293 -4.873 5.822 450 HZ1 LYS 69 3HZ LYS 69 -4.976 -3.417 7.073 451 HZ2 LYS 69 1HZ LYS 69 -5.564 -4.644 6.063 452 HZ3 LYS 69 2HZ LYS 69 -5.582 -3.041 5.534 453 H ALA 70 H ALA 70 1.962 -0.534 4.773 454 HA ALA 70 HA ALA 70 3.760 -1.317 2.794 455 HB1 ALA 70 1HB ALA 70 5.333 -0.431 4.908 456 HB2 ALA 70 2HB ALA 70 4.687 0.531 3.578 457 HB3 ALA 70 3HB ALA 70 3.792 0.408 5.093 458 H SER 71 H SER 71 3.031 -2.857 5.809 459 HA SER 71 HA SER 71 5.531 -4.238 6.073 460 HB2 SER 71 2HB SER 71 3.653 -5.642 7.560 461 HB3 SER 71 1HB SER 71 4.633 -4.301 8.156 462 HG SER 71 HG SER 71 2.186 -4.219 8.306 463 H LEU 72 H LEU 72 2.529 -4.657 4.486 464 HA LEU 72 HA LEU 72 2.949 -7.476 3.952 465 HB2 LEU 72 2HB LEU 72 0.734 -5.730 4.149 466 HB3 LEU 72 1HB LEU 72 0.758 -6.380 2.518 467 HG LEU 72 HG LEU 72 1.242 -8.453 4.455 468 HD11 LEU 72 1HD1 LEU 72 -1.050 -8.467 5.399 469 HD12 LEU 72 2HD1 LEU 72 -0.073 -7.115 5.975 470 HD13 LEU 72 3HD1 LEU 72 -1.299 -6.852 4.734 471 HD21 LEU 72 3HD2 LEU 72 -0.814 -9.334 3.243 472 HD22 LEU 72 1HD2 LEU 72 -0.698 -7.874 2.258 473 HD23 LEU 72 2HD2 LEU 72 0.637 -9.028 2.287 474 H ILE 73 H ILE 73 3.599 -4.463 2.516 475 HA ILE 73 HA ILE 73 3.440 -5.210 -0.192 476 HB ILE 73 HB ILE 73 4.639 -2.936 1.296 477 HG12 ILE 73 2HG1 ILE 73 3.273 -2.507 -1.260 478 HG13 ILE 73 1HG1 ILE 73 2.317 -3.424 -0.100 479 HG21 ILE 73 1HG2 ILE 73 6.509 -3.202 -0.051 480 HG22 ILE 73 2HG2 ILE 73 5.564 -3.810 -1.410 481 HG23 ILE 73 3HG2 ILE 73 5.504 -2.097 -0.992 482 HD11 ILE 73 3HD1 ILE 73 2.010 -1.654 1.243 483 HD12 ILE 73 1HD1 ILE 73 3.627 -1.010 0.954 484 HD13 ILE 73 2HD1 ILE 73 2.346 -0.746 -0.231 485 H ASP 74 H ASP 74 6.045 -5.351 2.191 486 HA ASP 74 HA ASP 74 7.888 -6.534 0.292 487 HB2 ASP 74 2HB ASP 74 8.185 -5.152 2.706 488 HB3 ASP 74 1HB ASP 74 8.691 -6.803 3.060 489 H GLN 75 H GLN 75 5.243 -7.719 1.542 490 HA GLN 75 HA GLN 75 6.278 -10.218 2.591 491 HB2 GLN 75 2HB GLN 75 3.963 -8.782 3.076 492 HB3 GLN 75 1HB GLN 75 3.404 -10.121 2.084 493 HG2 GLN 75 2HG GLN 75 3.313 -10.534 4.534 494 HG3 GLN 75 1HG GLN 75 4.252 -11.722 3.628 495 HE21 GLN 75 1HE2 GLN 75 4.983 -8.486 4.847 496 HE22 GLN 75 2HE2 GLN 75 6.376 -8.950 5.732 497 H LEU 76 H LEU 76 4.220 -9.165 -0.133 498 HA LEU 76 HA LEU 76 4.989 -11.644 -1.494 499 HB2 LEU 76 2HB LEU 76 2.164 -10.618 -1.433 500 HB3 LEU 76 1HB LEU 76 2.735 -12.117 -2.141 501 HG LEU 76 HG LEU 76 3.461 -12.087 0.619 502 HD11 LEU 76 1HD1 LEU 76 0.877 -10.871 0.037 503 HD12 LEU 76 2HD1 LEU 76 0.777 -12.267 1.112 504 HD13 LEU 76 3HD1 LEU 76 1.812 -10.902 1.535 505 HD21 LEU 76 3HD2 LEU 76 1.290 -13.739 -0.623 506 HD22 LEU 76 1HD2 LEU 76 2.990 -13.997 -1.018 507 HD23 LEU 76 2HD2 LEU 76 2.434 -14.177 0.646 508 H GLY 77 H GLY 77 4.950 -8.348 -1.726 509 HA2 GLY 77 1HA GLY 77 5.574 -7.086 -3.576 510 HA3 GLY 77 2HA GLY 77 5.394 -8.515 -4.576 511 H LEU 78 H LEU 78 3.176 -6.600 -2.548 512 HA LEU 78 HA LEU 78 0.960 -6.958 -4.274 513 HB2 LEU 78 2HB LEU 78 1.560 -5.305 -1.869 514 HB3 LEU 78 1HB LEU 78 0.158 -4.878 -2.828 515 HG LEU 78 HG LEU 78 -0.413 -6.303 -0.915 516 HD11 LEU 78 1HD1 LEU 78 -0.899 -7.201 -3.706 517 HD12 LEU 78 2HD1 LEU 78 -1.467 -8.210 -2.375 518 HD13 LEU 78 3HD1 LEU 78 -2.023 -6.543 -2.517 519 HD21 LEU 78 3HD2 LEU 78 0.360 -8.851 -1.682 520 HD22 LEU 78 1HD2 LEU 78 1.810 -7.871 -1.902 521 HD23 LEU 78 2HD2 LEU 78 1.005 -7.915 -0.333 522 H LEU 79 H LEU 79 2.296 -6.248 -6.239 523 HA LEU 79 HA LEU 79 2.955 -3.507 -6.602 524 HB2 LEU 79 2HB LEU 79 3.413 -4.139 -8.907 525 HB3 LEU 79 1HB LEU 79 4.100 -5.295 -7.781 526 HG LEU 79 HG LEU 79 1.506 -6.223 -8.490 527 HD11 LEU 79 1HD1 LEU 79 1.246 -5.913 -10.681 528 HD12 LEU 79 2HD1 LEU 79 2.451 -4.634 -10.535 529 HD13 LEU 79 3HD1 LEU 79 2.943 -6.259 -11.015 530 HD21 LEU 79 3HD2 LEU 79 3.492 -7.544 -7.776 531 HD22 LEU 79 1HD2 LEU 79 2.702 -8.165 -9.225 532 HD23 LEU 79 2HD2 LEU 79 4.202 -7.250 -9.363 533 H ALA 80 H ALA 80 -0.051 -4.899 -6.516 534 HA ALA 80 HA ALA 80 -1.235 -3.568 -8.776 535 HB1 ALA 80 1HB ALA 80 -2.106 -5.708 -7.983 536 HB2 ALA 80 2HB ALA 80 -2.564 -4.957 -6.454 537 HB3 ALA 80 3HB ALA 80 -3.346 -4.454 -7.953 538 H LEU 81 H LEU 81 -0.791 -2.872 -5.389 539 HA LEU 81 HA LEU 81 -2.698 -0.649 -5.584 540 HB2 LEU 81 2HB LEU 81 -1.415 -1.753 -3.089 541 HB3 LEU 81 1HB LEU 81 -2.768 -0.638 -3.186 542 HG LEU 81 HG LEU 81 -2.858 -3.479 -4.192 543 HD11 LEU 81 1HD1 LEU 81 -3.114 -2.374 -1.507 544 HD12 LEU 81 2HD1 LEU 81 -4.503 -3.338 -2.014 545 HD13 LEU 81 3HD1 LEU 81 -2.886 -4.042 -2.037 546 HD21 LEU 81 3HD2 LEU 81 -4.832 -2.940 -5.047 547 HD22 LEU 81 1HD2 LEU 81 -5.376 -2.314 -3.491 548 HD23 LEU 81 2HD2 LEU 81 -4.532 -1.256 -4.622 549 H VAL 82 H VAL 82 0.634 -1.389 -5.313 550 HA VAL 82 HA VAL 82 1.234 1.437 -4.773 551 HB VAL 82 HB VAL 82 3.540 -0.351 -4.718 552 HG11 VAL 82 1HG1 VAL 82 2.332 1.681 -2.858 553 HG12 VAL 82 2HG1 VAL 82 3.786 0.766 -2.457 554 HG13 VAL 82 3HG1 VAL 82 3.777 1.835 -3.860 555 HG21 VAL 82 3HG2 VAL 82 1.133 -1.166 -3.277 556 HG22 VAL 82 1HG2 VAL 82 2.600 -2.074 -3.646 557 HG23 VAL 82 2HG2 VAL 82 2.556 -0.995 -2.250 558 H ASP 83 H ASP 83 2.371 2.598 -6.215 559 HA ASP 83 HA ASP 83 3.176 1.212 -8.682 560 HB2 ASP 83 2HB ASP 83 1.370 3.080 -8.742 561 HB3 ASP 83 1HB ASP 83 2.733 4.181 -8.567 562 H HIS 84 H HIS 84 5.094 2.100 -9.768 563 HA HIS 84 HA HIS 84 6.993 3.021 -7.729 564 HB2 HIS 84 2HB HIS 84 7.177 0.612 -8.818 565 HB3 HIS 84 1HB HIS 84 7.990 1.516 -10.095 566 HD1 HIS 84 1HD HIS 84 10.011 3.138 -9.138 567 HD2 HIS 84 2HD HIS 84 8.842 -0.090 -6.790 568 HE1 HIS 84 1HE HIS 84 11.839 2.836 -7.441 569 HE2 HIS 84 2HE HIS 84 11.209 0.747 -6.167 570 H THR 85 H THR 85 7.599 4.997 -8.038 571 HA THR 85 HA THR 85 8.001 5.971 -10.787 572 HB THR 85 HB THR 85 8.149 8.243 -9.509 573 HG1 THR 85 1HG THR 85 6.465 6.917 -7.674 574 HG21 THR 85 3HG2 THR 85 5.369 7.442 -9.269 575 HG22 THR 85 1HG2 THR 85 6.087 6.879 -10.779 576 HG23 THR 85 2HG2 THR 85 6.115 8.596 -10.374 577 H GLU 86 H GLU 86 9.850 7.917 -10.462 578 HA GLU 86 HA GLU 86 12.220 6.405 -10.192 579 HB2 GLU 86 2HB GLU 86 11.558 9.238 -10.764 580 HB3 GLU 86 1HB GLU 86 13.190 8.895 -10.201 581 HG2 GLU 86 2HG GLU 86 11.824 7.812 -12.651 582 HG3 GLU 86 1HG GLU 86 13.242 8.858 -12.569 583 H GLU 87 H GLU 87 10.442 8.392 -7.970 584 HA GLU 87 HA GLU 87 12.512 8.750 -6.073 585 HB2 GLU 87 2HB GLU 87 10.349 9.000 -4.534 586 HB3 GLU 87 1HB GLU 87 10.917 10.272 -5.612 587 HG2 GLU 87 2HG GLU 87 9.169 8.326 -6.863 588 HG3 GLU 87 1HG GLU 87 8.408 9.262 -5.576 589 H GLY 88 H GLY 88 9.992 6.330 -6.499 590 HA2 GLY 88 1HA GLY 88 11.141 4.121 -5.549 591 HA3 GLY 88 2HA GLY 88 10.772 4.965 -4.050 592 HA PRO 89 HA PRO 89 6.997 2.487 -5.050 593 HB2 PRO 89 2HB PRO 89 7.046 1.910 -2.185 594 HB3 PRO 89 1HB PRO 89 7.047 0.783 -3.544 595 HG2 PRO 89 2HG PRO 89 9.203 1.131 -1.949 596 HG3 PRO 89 1HG PRO 89 9.348 0.733 -3.671 597 HD2 PRO 89 2HD PRO 89 9.635 3.386 -2.309 598 HD3 PRO 89 1HD PRO 89 10.618 2.679 -3.610 599 H VAL 90 H VAL 90 5.205 3.667 -5.110 600 HA VAL 90 HA VAL 90 4.518 5.414 -2.847 601 HB VAL 90 HB VAL 90 3.787 7.113 -4.675 602 HG11 VAL 90 1HG1 VAL 90 5.856 7.029 -2.975 603 HG12 VAL 90 2HG1 VAL 90 6.737 7.077 -4.503 604 HG13 VAL 90 3HG1 VAL 90 5.589 8.355 -4.106 605 HG21 VAL 90 3HG2 VAL 90 4.298 5.510 -6.537 606 HG22 VAL 90 1HG2 VAL 90 5.039 7.102 -6.712 607 HG23 VAL 90 2HG2 VAL 90 6.012 5.730 -6.175 608 H CYS 91 H CYS 91 2.234 6.334 -3.190 609 HA CYS 91 HA CYS 91 0.471 4.161 -3.565 610 HB2 CYS 91 2HB CYS 91 0.264 6.953 -2.734 611 HB3 CYS 91 1HB CYS 91 -1.140 6.408 -3.645 612 H LYS 92 H LYS 92 -0.586 3.461 -5.284 613 HA LYS 92 HA LYS 92 0.261 4.284 -7.850 614 HB2 LYS 92 2HB LYS 92 -0.608 1.983 -6.925 615 HB3 LYS 92 1HB LYS 92 -2.176 2.608 -7.414 616 HG2 LYS 92 2HG LYS 92 -1.758 2.318 -9.594 617 HG3 LYS 92 1HG LYS 92 -0.068 2.819 -9.447 618 HD2 LYS 92 2HD LYS 92 0.402 0.623 -8.354 619 HD3 LYS 92 1HD LYS 92 -1.253 0.141 -8.738 620 HE2 LYS 92 2HE LYS 92 -0.638 -0.444 -10.794 621 HE3 LYS 92 1HE LYS 92 -0.013 1.176 -11.096 622 HZ1 LYS 92 3HZ LYS 92 1.517 -0.956 -11.156 623 HZ2 LYS 92 1HZ LYS 92 1.642 -0.621 -9.498 624 HZ3 LYS 92 2HZ LYS 92 2.102 0.553 -10.632 625 H ASN 93 H ASN 93 -2.978 4.190 -6.448 626 HA ASN 93 HA ASN 93 -3.758 6.329 -8.304 627 HB2 ASN 93 2HB ASN 93 -4.740 3.638 -8.070 628 HB3 ASN 93 1HB ASN 93 -6.032 4.778 -7.728 629 HD21 ASN 93 1HD2 ASN 93 -3.533 3.964 -10.058 630 HD22 ASN 93 2HD2 ASN 93 -4.355 4.578 -11.446 631 H ILE 94 H ILE 94 -5.018 4.595 -5.450 632 HA ILE 94 HA ILE 94 -6.111 7.157 -4.525 633 HB ILE 94 HB ILE 94 -6.987 4.420 -3.618 634 HG12 ILE 94 2HG1 ILE 94 -8.700 5.957 -5.484 635 HG13 ILE 94 1HG1 ILE 94 -7.260 5.226 -6.185 636 HG21 ILE 94 1HG2 ILE 94 -8.965 5.582 -2.850 637 HG22 ILE 94 2HG2 ILE 94 -7.519 6.316 -2.157 638 HG23 ILE 94 3HG2 ILE 94 -8.349 7.101 -3.500 639 HD11 ILE 94 3HD1 ILE 94 -8.947 3.643 -6.479 640 HD12 ILE 94 1HD1 ILE 94 -8.030 3.063 -5.089 641 HD13 ILE 94 2HD1 ILE 94 -9.575 3.878 -4.847 642 H VAL 95 H VAL 95 -5.048 8.069 -2.909 643 HA VAL 95 HA VAL 95 -3.281 6.561 -1.215 644 HB VAL 95 HB VAL 95 -2.512 8.743 -1.735 645 HG11 VAL 95 1HG1 VAL 95 -4.982 9.977 -0.546 646 HG12 VAL 95 2HG1 VAL 95 -3.706 10.763 -1.477 647 HG13 VAL 95 3HG1 VAL 95 -4.809 9.637 -2.269 648 HG21 VAL 95 3HG2 VAL 95 -2.642 9.899 0.605 649 HG22 VAL 95 1HG2 VAL 95 -3.430 8.395 1.085 650 HG23 VAL 95 2HG2 VAL 95 -1.797 8.361 0.421 651 H ALA 96 H ALA 96 -4.018 5.383 0.395 652 HA ALA 96 HA ALA 96 -6.050 6.416 2.190 653 HB1 ALA 96 1HB ALA 96 -6.546 3.694 1.050 654 HB2 ALA 96 2HB ALA 96 -7.674 4.804 1.827 655 HB3 ALA 96 3HB ALA 96 -7.113 5.123 0.185 656 H CYS 97 H CYS 97 -5.817 5.580 4.245 657 HA CYS 97 HA CYS 97 -3.531 3.770 4.565 658 HB2 CYS 97 2HB CYS 97 -4.461 6.139 6.050 659 HB3 CYS 97 1HB CYS 97 -3.894 4.804 7.052 660 H CYS 98 H CYS 98 -3.604 2.169 6.261 661 HA CYS 98 HA CYS 98 -6.275 1.172 6.861 662 HB2 CYS 98 2HB CYS 98 -5.543 0.536 4.468 663 HB3 CYS 98 1HB CYS 98 -4.376 -0.519 5.256 664 HA PRO 99 HA PRO 99 -3.811 -0.489 10.192 665 HB2 PRO 99 2HB PRO 99 -5.763 -1.642 11.599 666 HB3 PRO 99 1HB PRO 99 -5.687 0.118 11.436 667 HG2 PRO 99 2HG PRO 99 -7.392 -1.847 9.958 668 HG3 PRO 99 1HG PRO 99 -7.846 -0.285 10.664 669 HD2 PRO 99 2HD PRO 99 -7.261 -0.654 8.006 670 HD3 PRO 99 1HD PRO 99 -7.080 0.894 8.855 671 H GLU 100 H GLU 100 -2.917 -2.493 10.805 672 HA GLU 100 HA GLU 100 -3.540 -4.730 9.055 673 HB2 GLU 100 2HB GLU 100 -1.220 -3.836 10.468 674 HB3 GLU 100 1HB GLU 100 -1.611 -5.462 11.009 675 HG2 GLU 100 2HG GLU 100 -1.573 -4.883 8.088 676 HG3 GLU 100 1HG GLU 100 -0.045 -5.071 8.948 677 H GLY 101 H GLY 101 -3.908 -6.882 9.930 678 HA2 GLY 101 1HA GLY 101 -4.664 -8.341 11.637 679 HA3 GLY 101 2HA GLY 101 -5.057 -6.941 12.627 680 H THR 102 H THR 102 -6.668 -5.432 11.222 681 HA THR 102 HA THR 102 -8.669 -6.657 9.692 682 HB THR 102 HB THR 102 -9.016 -7.911 11.850 683 HG1 THR 102 1HG THR 102 -10.915 -8.037 10.931 684 HG21 THR 102 3HG2 THR 102 -9.525 -6.912 13.819 685 HG22 THR 102 1HG2 THR 102 -10.394 -5.585 13.046 686 HG23 THR 102 2HG2 THR 102 -8.630 -5.571 13.105 687 H THR 103 H THR 103 -10.874 -5.303 10.303 688 HA THR 103 HA THR 103 -11.937 -3.308 10.205 689 HB THR 103 HB THR 103 -9.458 -1.793 10.986 690 HG1 THR 103 1HG THR 103 -9.533 -3.428 12.506 691 HG21 THR 103 3HG2 THR 103 -12.418 -1.424 11.265 692 HG22 THR 103 1HG2 THR 103 -11.214 -0.318 10.608 693 HG23 THR 103 2HG2 THR 103 -11.306 -0.587 12.349 694 H ASN 104 H ASN 104 -12.225 -1.600 8.802 695 HA ASN 104 HA ASN 104 -11.033 -2.090 6.260 696 HB2 ASN 104 2HB ASN 104 -12.784 0.276 6.832 697 HB3 ASN 104 1HB ASN 104 -12.659 -0.681 5.361 698 HD21 ASN 104 1HD2 ASN 104 -14.748 0.092 7.573 699 HD22 ASN 104 2HD2 ASN 104 -15.641 -1.388 7.743 700 H CYS 105 H CYS 105 -10.492 -0.148 4.883 701 HA CYS 105 HA CYS 105 -8.592 1.577 6.332 702 HB2 CYS 105 2HB CYS 105 -8.457 1.415 3.380 703 HB3 CYS 105 1HB CYS 105 -7.159 1.381 4.570 704 H VAL 106 H VAL 106 -8.542 3.800 5.853 705 HA VAL 106 HA VAL 106 -11.084 4.785 4.778 706 HB VAL 106 HB VAL 106 -11.076 6.506 6.266 707 HG11 VAL 106 1HG1 VAL 106 -10.890 4.398 7.552 708 HG12 VAL 106 2HG1 VAL 106 -9.159 4.689 7.715 709 HG13 VAL 106 3HG1 VAL 106 -10.313 5.812 8.436 710 HG21 VAL 106 3HG2 VAL 106 -9.318 7.881 5.792 711 HG22 VAL 106 1HG2 VAL 106 -8.754 7.243 7.337 712 HG23 VAL 106 2HG2 VAL 106 -8.137 6.571 5.827 713 H ALA 107 H ALA 107 -11.166 6.228 3.129 714 HA ALA 107 HA ALA 107 -8.611 6.826 1.799 715 HB1 ALA 107 1HB ALA 107 -10.208 7.166 -0.228 716 HB2 ALA 107 2HB ALA 107 -9.772 5.531 0.270 717 HB3 ALA 107 3HB ALA 107 -11.336 6.207 0.729 718 H VAL 108 H VAL 108 -8.005 8.841 2.212 719 HA VAL 108 HA VAL 108 -9.864 10.769 3.193 720 HB VAL 108 HB VAL 108 -7.450 10.468 3.936 721 HG11 VAL 108 1HG1 VAL 108 -5.907 12.070 2.628 722 HG12 VAL 108 2HG1 VAL 108 -6.185 10.441 2.003 723 HG13 VAL 108 3HG1 VAL 108 -7.044 11.814 1.303 724 HG21 VAL 108 3HG2 VAL 108 -7.170 12.863 4.424 725 HG22 VAL 108 1HG2 VAL 108 -8.450 13.233 3.269 726 HG23 VAL 108 2HG2 VAL 108 -8.816 12.305 4.723 727 H ASP 109 H ASP 109 -9.165 9.822 0.198 728 HA ASP 109 HA ASP 109 -9.850 12.426 -0.989 729 HB2 ASP 109 2HB ASP 109 -7.833 12.134 -1.996 730 HB3 ASP 109 1HB ASP 109 -7.833 10.395 -1.733 731 H ASN 110 H ASN 110 -10.562 9.094 -0.683 732 HA ASN 110 HA ASN 110 -12.327 7.811 -1.281 733 HB2 ASN 110 2HB ASN 110 -13.308 10.441 -2.210 734 HB3 ASN 110 1HB ASN 110 -14.031 9.031 -2.977 735 HD21 ASN 110 1HD2 ASN 110 -13.400 10.576 0.113 736 HD22 ASN 110 2HD2 ASN 110 -14.722 9.844 0.963 737 H ALA 111 H ALA 111 -11.561 9.907 -3.995 738 HA ALA 111 HA ALA 111 -10.107 8.029 -5.468 739 HB1 ALA 111 1HB ALA 111 -12.996 7.766 -5.743 740 HB2 ALA 111 2HB ALA 111 -12.182 8.041 -7.284 741 HB3 ALA 111 3HB ALA 111 -11.706 6.683 -6.265 742 H GLY 112 H GLY 112 -8.789 9.575 -6.242 743 HA2 GLY 112 1HA GLY 112 -9.189 10.874 -8.564 744 HA3 GLY 112 2HA GLY 112 -9.860 12.006 -7.398 745 H ALA 113 H ALA 113 -7.735 10.915 -5.443 746 HA ALA 113 HA ALA 113 -5.534 12.554 -6.526 747 HB1 ALA 113 1HB ALA 113 -6.401 13.920 -4.875 748 HB2 ALA 113 2HB ALA 113 -6.797 12.566 -3.816 749 HB3 ALA 113 3HB ALA 113 -5.117 13.063 -4.023 750 H GLY 114 H GLY 114 -3.609 11.661 -6.575 751 HA2 GLY 114 1HA GLY 114 -2.559 9.921 -4.634 752 HA3 GLY 114 2HA GLY 114 -3.120 8.981 -6.014 753 H THR 115 H THR 115 -0.815 8.423 -6.200 754 HA THR 115 HA THR 115 1.218 8.573 -7.173 755 HB THR 115 HB THR 115 0.329 10.775 -8.983 756 HG1 THR 115 1HG THR 115 -0.759 8.130 -8.980 757 HG21 THR 115 3HG2 THR 115 2.463 9.768 -9.429 758 HG22 THR 115 1HG2 THR 115 1.338 9.216 -10.670 759 HG23 THR 115 2HG2 THR 115 1.774 8.147 -9.336 760 H LYS 116 H LYS 116 1.027 10.019 -4.851 761 HA LYS 116 HA LYS 116 2.461 11.263 -3.603 762 HB2 LYS 116 2HB LYS 116 3.877 12.165 -6.106 763 HB3 LYS 116 1HB LYS 116 4.509 12.081 -4.468 764 HG2 LYS 116 2HG LYS 116 4.740 9.771 -4.540 765 HG3 LYS 116 1HG LYS 116 3.620 9.605 -5.893 766 HD2 LYS 116 2HD LYS 116 6.412 10.755 -5.974 767 HD3 LYS 116 1HD LYS 116 5.868 9.231 -6.676 768 HE2 LYS 116 2HE LYS 116 4.884 10.246 -8.460 769 HE3 LYS 116 1HE LYS 116 4.424 11.672 -7.532 770 HZ1 LYS 116 3HZ LYS 116 6.711 11.255 -9.177 771 HZ2 LYS 116 1HZ LYS 116 7.173 11.725 -7.613 772 HZ3 LYS 116 2HZ LYS 116 6.113 12.697 -8.519 773 H ALA 117 H ALA 117 0.089 12.368 -5.260 774 HA ALA 117 HA ALA 117 0.653 15.135 -5.630 775 HB1 ALA 117 1HB ALA 117 -1.695 15.388 -6.086 776 HB2 ALA 117 2HB ALA 117 -1.114 13.916 -6.864 777 HB3 ALA 117 3HB ALA 117 -2.045 13.815 -5.368 778 H GLU 118 H GLU 118 1.254 16.282 -3.925 779 HA GLU 118 HA GLU 118 -0.760 16.938 -1.979 780 HB2 GLU 118 2HB GLU 118 0.327 15.059 -0.830 781 HB3 GLU 118 1HB GLU 118 1.902 15.802 -1.065 782 HG2 GLU 118 2HG GLU 118 0.094 17.607 0.276 783 HG3 GLU 118 1HG GLU 118 0.217 16.072 1.132 Start of MODEL 12 1 H1 SER 1 1H SER 1 17.330 -19.181 -1.573 2 H2 SER 1 2H SER 1 16.460 -18.080 -2.520 3 H3 SER 1 3H SER 1 18.126 -18.289 -2.772 4 HA SER 1 HA SER 1 17.897 -20.240 -3.863 5 HB2 SER 1 2HB SER 1 15.121 -20.726 -2.821 6 HB3 SER 1 1HB SER 1 16.326 -21.894 -3.363 7 HG SER 1 HG SER 1 16.672 -22.092 -1.295 8 H LEU 2 H LEU 2 17.409 -17.733 -4.800 9 HA LEU 2 HA LEU 2 15.583 -18.188 -6.974 10 HB2 LEU 2 2HB LEU 2 14.658 -16.838 -4.643 11 HB3 LEU 2 1HB LEU 2 14.847 -15.636 -5.905 12 HG LEU 2 HG LEU 2 13.471 -18.018 -6.858 13 HD11 LEU 2 1HD1 LEU 2 11.403 -16.847 -5.457 14 HD12 LEU 2 2HD1 LEU 2 12.159 -18.398 -5.094 15 HD13 LEU 2 3HD1 LEU 2 12.706 -16.938 -4.270 16 HD21 LEU 2 3HD2 LEU 2 13.061 -15.048 -6.856 17 HD22 LEU 2 1HD2 LEU 2 13.358 -16.130 -8.216 18 HD23 LEU 2 2HD2 LEU 2 11.789 -16.137 -7.410 19 HA PRO 3 HA PRO 3 18.584 -15.538 -8.993 20 HB2 PRO 3 2HB PRO 3 16.208 -14.557 -10.494 21 HB3 PRO 3 1HB PRO 3 17.746 -15.173 -11.106 22 HG2 PRO 3 2HG PRO 3 15.545 -16.663 -11.219 23 HG3 PRO 3 1HG PRO 3 17.117 -17.392 -10.835 24 HD2 PRO 3 2HD PRO 3 14.832 -16.741 -9.028 25 HD3 PRO 3 1HD PRO 3 15.957 -18.112 -8.976 26 H ALA 4 H ALA 4 15.374 -14.091 -8.532 27 HA ALA 4 HA ALA 4 14.642 -12.176 -7.574 28 HB1 ALA 4 1HB ALA 4 16.567 -11.543 -5.661 29 HB2 ALA 4 2HB ALA 4 15.108 -12.509 -5.434 30 HB3 ALA 4 3HB ALA 4 16.635 -13.295 -5.828 31 H SER 5 H SER 5 16.535 -11.927 -9.856 32 HA SER 5 HA SER 5 17.981 -9.496 -9.441 33 HB2 SER 5 2HB SER 5 17.381 -9.857 -12.194 34 HB3 SER 5 1HB SER 5 18.898 -10.220 -11.366 35 HG SER 5 HG SER 5 18.317 -12.163 -12.117 36 H ALA 6 H ALA 6 14.932 -10.391 -10.980 37 HA ALA 6 HA ALA 6 13.942 -7.662 -10.518 38 HB1 ALA 6 1HB ALA 6 13.465 -9.320 -13.001 39 HB2 ALA 6 2HB ALA 6 12.717 -7.763 -12.647 40 HB3 ALA 6 3HB ALA 6 14.460 -7.866 -12.899 41 H ALA 7 H ALA 7 13.506 -9.422 -8.638 42 HA ALA 7 HA ALA 7 10.722 -10.255 -9.000 43 HB1 ALA 7 1HB ALA 7 12.034 -12.155 -7.319 44 HB2 ALA 7 2HB ALA 7 11.182 -12.422 -8.839 45 HB3 ALA 7 3HB ALA 7 12.904 -12.045 -8.850 46 H LYS 8 H LYS 8 9.462 -9.668 -7.356 47 HA LYS 8 HA LYS 8 8.751 -8.842 -5.368 48 HB2 LYS 8 2HB LYS 8 10.582 -10.824 -4.691 49 HB3 LYS 8 1HB LYS 8 11.094 -9.434 -3.741 50 HG2 LYS 8 2HG LYS 8 9.562 -10.039 -2.260 51 HG3 LYS 8 1HG LYS 8 8.350 -9.483 -3.415 52 HD2 LYS 8 2HD LYS 8 7.721 -11.579 -3.954 53 HD3 LYS 8 1HD LYS 8 9.376 -12.195 -3.903 54 HE2 LYS 8 2HE LYS 8 9.179 -12.880 -1.775 55 HE3 LYS 8 1HE LYS 8 8.311 -11.425 -1.289 56 HZ1 LYS 8 3HZ LYS 8 6.815 -13.189 -1.020 57 HZ2 LYS 8 1HZ LYS 8 7.211 -13.886 -2.513 58 HZ3 LYS 8 2HZ LYS 8 6.335 -12.436 -2.462 59 H ASN 9 H ASN 9 9.772 -7.030 -7.020 60 HA ASN 9 HA ASN 9 11.823 -5.418 -5.817 61 HB2 ASN 9 2HB ASN 9 10.943 -3.764 -7.650 62 HB3 ASN 9 1HB ASN 9 11.830 -5.207 -8.128 63 HD21 ASN 9 1HD2 ASN 9 8.679 -3.727 -7.921 64 HD22 ASN 9 2HD2 ASN 9 7.902 -4.773 -9.057 65 H ALA 10 H ALA 10 10.287 -5.601 -3.797 66 HA ALA 10 HA ALA 10 8.617 -3.177 -3.733 67 HB1 ALA 10 1HB ALA 10 7.034 -4.716 -3.233 68 HB2 ALA 10 2HB ALA 10 8.202 -5.883 -2.617 69 HB3 ALA 10 3HB ALA 10 7.702 -4.522 -1.613 70 H LYS 11 H LYS 11 10.023 -1.693 -2.990 71 HA LYS 11 HA LYS 11 11.634 -2.328 -0.631 72 HB2 LYS 11 2HB LYS 11 11.739 -0.108 -2.660 73 HB3 LYS 11 1HB LYS 11 12.619 -0.005 -1.144 74 HG2 LYS 11 2HG LYS 11 13.675 -2.229 -1.778 75 HG3 LYS 11 1HG LYS 11 13.002 -1.965 -3.387 76 HD2 LYS 11 2HD LYS 11 14.173 0.384 -3.117 77 HD3 LYS 11 1HD LYS 11 15.175 -0.502 -1.966 78 HE2 LYS 11 2HE LYS 11 14.919 -2.116 -4.272 79 HE3 LYS 11 1HE LYS 11 15.296 -0.487 -4.823 80 HZ1 LYS 11 3HZ LYS 11 17.054 -0.692 -2.874 81 HZ2 LYS 11 1HZ LYS 11 17.388 -1.224 -4.451 82 HZ3 LYS 11 2HZ LYS 11 16.918 -2.338 -3.261 83 H LEU 12 H LEU 12 9.700 0.446 -1.771 84 HA LEU 12 HA LEU 12 8.035 1.646 -0.818 85 HB2 LEU 12 2HB LEU 12 7.880 -0.817 0.538 86 HB3 LEU 12 1HB LEU 12 7.761 0.429 1.763 87 HG LEU 12 HG LEU 12 5.641 -0.553 0.424 88 HD11 LEU 12 1HD1 LEU 12 4.955 2.110 0.875 89 HD12 LEU 12 2HD1 LEU 12 4.777 0.755 1.990 90 HD13 LEU 12 3HD1 LEU 12 6.233 1.749 2.035 91 HD21 LEU 12 3HD2 LEU 12 4.923 0.826 -1.327 92 HD22 LEU 12 1HD2 LEU 12 6.179 2.023 -1.012 93 HD23 LEU 12 2HD2 LEU 12 6.606 0.458 -1.705 94 H ALA 13 H ALA 13 10.463 0.688 1.608 95 HA ALA 13 HA ALA 13 10.205 3.005 3.198 96 HB1 ALA 13 1HB ALA 13 12.714 1.361 2.947 97 HB2 ALA 13 2HB ALA 13 12.143 2.278 4.341 98 HB3 ALA 13 3HB ALA 13 11.296 0.814 3.844 99 H THR 14 H THR 14 12.053 2.323 0.315 100 HA THR 14 HA THR 14 13.725 4.644 0.510 101 HB THR 14 HB THR 14 13.456 3.569 -2.171 102 HG1 THR 14 1HG THR 14 14.469 1.623 -0.440 103 HG21 THR 14 3HG2 THR 14 15.405 4.791 -0.923 104 HG22 THR 14 1HG2 THR 14 15.773 3.524 -2.097 105 HG23 THR 14 2HG2 THR 14 15.813 3.165 -0.370 106 H SER 15 H SER 15 10.535 4.048 -0.541 107 HA SER 15 HA SER 15 10.376 6.220 -2.430 108 HB2 SER 15 2HB SER 15 7.940 5.042 -1.183 109 HB3 SER 15 1HB SER 15 8.255 5.454 -2.868 110 HG SER 15 HG SER 15 8.213 3.216 -2.622 111 H ALA 16 H ALA 16 11.307 7.770 -0.895 112 HA ALA 16 HA ALA 16 10.214 8.587 1.496 113 HB1 ALA 16 1HB ALA 16 11.355 10.665 1.194 114 HB2 ALA 16 2HB ALA 16 12.353 9.391 0.492 115 HB3 ALA 16 3HB ALA 16 11.400 10.443 -0.555 116 H ALA 17 H ALA 17 9.239 9.491 -1.782 117 HA ALA 17 HA ALA 17 7.511 11.589 -1.097 118 HB1 ALA 17 1HB ALA 17 6.383 10.688 -3.358 119 HB2 ALA 17 2HB ALA 17 7.862 11.649 -3.323 120 HB3 ALA 17 3HB ALA 17 7.954 9.892 -3.464 121 H PHE 18 H PHE 18 7.043 8.131 -1.068 122 HA PHE 18 HA PHE 18 4.198 8.169 -0.996 123 HB2 PHE 18 2HB PHE 18 5.437 6.178 -1.701 124 HB3 PHE 18 1HB PHE 18 6.163 6.047 -0.104 125 HD1 PHE 18 1HD PHE 18 2.887 5.992 -1.851 126 HD2 PHE 18 2HD PHE 18 5.145 4.785 1.542 127 HE1 PHE 18 1HE PHE 18 1.019 4.561 -1.126 128 HE2 PHE 18 2HE PHE 18 3.284 3.351 2.276 129 HZ PHE 18 HZ PHE 18 1.217 3.237 0.940 130 H ALA 19 H ALA 19 6.734 7.976 1.452 131 HA ALA 19 HA ALA 19 4.868 7.842 3.631 132 HB1 ALA 19 1HB ALA 19 7.704 8.616 4.017 133 HB2 ALA 19 2HB ALA 19 6.676 7.569 4.993 134 HB3 ALA 19 3HB ALA 19 7.326 6.987 3.461 135 H LYS 20 H LYS 20 6.668 10.348 1.984 136 HA LYS 20 HA LYS 20 6.267 12.431 3.833 137 HB2 LYS 20 2HB LYS 20 7.848 12.765 2.076 138 HB3 LYS 20 1HB LYS 20 6.659 12.386 0.841 139 HG2 LYS 20 2HG LYS 20 5.506 14.534 2.012 140 HG3 LYS 20 1HG LYS 20 7.218 14.909 2.219 141 HD2 LYS 20 2HD LYS 20 6.820 13.920 -0.424 142 HD3 LYS 20 1HD LYS 20 5.627 15.183 -0.108 143 HE2 LYS 20 2HE LYS 20 7.597 16.544 0.802 144 HE3 LYS 20 1HE LYS 20 8.621 15.358 -0.006 145 HZ1 LYS 20 3HZ LYS 20 8.071 17.417 -1.298 146 HZ2 LYS 20 1HZ LYS 20 6.477 16.843 -1.416 147 HZ3 LYS 20 2HZ LYS 20 7.761 15.954 -2.090 148 H GLN 21 H GLN 21 4.322 11.085 1.264 149 HA GLN 21 HA GLN 21 2.201 12.959 1.420 150 HB2 GLN 21 2HB GLN 21 2.894 10.735 -0.155 151 HB3 GLN 21 1HB GLN 21 1.338 10.353 0.570 152 HG2 GLN 21 2HG GLN 21 0.807 12.835 -0.205 153 HG3 GLN 21 1HG GLN 21 2.082 12.473 -1.364 154 HE21 GLN 21 1HE2 GLN 21 1.742 10.089 -2.244 155 HE22 GLN 21 2HE2 GLN 21 0.164 9.824 -2.896 156 H ALA 22 H ALA 22 3.038 10.053 3.137 157 HA ALA 22 HA ALA 22 0.503 9.676 4.406 158 HB1 ALA 22 1HB ALA 22 1.614 7.992 5.726 159 HB2 ALA 22 2HB ALA 22 2.151 7.854 4.051 160 HB3 ALA 22 3HB ALA 22 3.197 8.611 5.251 161 H GLU 23 H GLU 23 2.940 11.935 4.790 162 HA GLU 23 HA GLU 23 2.627 12.345 7.633 163 HB2 GLU 23 2HB GLU 23 4.551 13.056 5.741 164 HB3 GLU 23 1HB GLU 23 3.775 14.576 6.156 165 HG2 GLU 23 2HG GLU 23 4.839 14.675 8.094 166 HG3 GLU 23 1HG GLU 23 4.326 13.047 8.525 167 H GLY 24 H GLY 24 0.758 12.975 4.974 168 HA2 GLY 24 1HA GLY 24 -0.275 15.532 5.971 169 HA3 GLY 24 2HA GLY 24 -0.655 14.802 4.417 170 H THR 25 H THR 25 -0.902 12.247 6.280 171 HA THR 25 HA THR 25 -3.558 12.858 7.376 172 HB THR 25 HB THR 25 -3.046 10.239 5.978 173 HG1 THR 25 1HG THR 25 -3.199 12.648 4.817 174 HG21 THR 25 3HG2 THR 25 -5.291 11.573 7.289 175 HG22 THR 25 1HG2 THR 25 -5.057 9.866 6.911 176 HG23 THR 25 2HG2 THR 25 -5.691 10.964 5.682 177 H THR 26 H THR 26 -4.179 11.425 9.155 178 HA THR 26 HA THR 26 -1.860 10.643 10.681 179 HB THR 26 HB THR 26 -4.190 9.883 12.068 180 HG1 THR 26 1HG THR 26 -5.670 11.340 11.583 181 HG21 THR 26 3HG2 THR 26 -2.635 12.466 12.273 182 HG22 THR 26 1HG2 THR 26 -2.117 10.929 12.967 183 HG23 THR 26 2HG2 THR 26 -3.595 11.704 13.544 184 H CYS 27 H CYS 27 -1.032 8.810 9.696 185 HA CYS 27 HA CYS 27 -2.473 6.386 10.458 186 HB2 CYS 27 2HB CYS 27 -0.939 5.936 8.029 187 HB3 CYS 27 1HB CYS 27 -2.602 5.497 8.393 188 H ASN 28 H ASN 28 -0.964 4.541 10.738 189 HA ASN 28 HA ASN 28 1.654 5.557 11.633 190 HB2 ASN 28 2HB ASN 28 -0.216 4.650 13.289 191 HB3 ASN 28 1HB ASN 28 0.430 3.087 12.806 192 HD21 ASN 28 1HD2 ASN 28 0.508 4.025 15.411 193 HD22 ASN 28 2HD2 ASN 28 2.159 4.288 15.866 194 H VAL 29 H VAL 29 3.170 3.491 12.015 195 HA VAL 29 HA VAL 29 3.760 2.413 9.496 196 HB VAL 29 HB VAL 29 5.486 1.202 10.480 197 HG11 VAL 29 1HG1 VAL 29 6.452 3.099 11.090 198 HG12 VAL 29 2HG1 VAL 29 4.910 3.795 11.573 199 HG13 VAL 29 3HG1 VAL 29 5.837 2.831 12.720 200 HG21 VAL 29 3HG2 VAL 29 5.471 0.069 12.452 201 HG22 VAL 29 1HG2 VAL 29 4.495 1.286 13.277 202 HG23 VAL 29 2HG2 VAL 29 3.730 0.143 12.168 203 H GLY 30 H GLY 30 3.285 0.489 8.519 204 HA2 GLY 30 1HA GLY 30 2.168 -1.520 8.175 205 HA3 GLY 30 2HA GLY 30 1.707 -1.518 9.870 206 H SER 31 H SER 31 0.721 1.394 9.218 207 HA SER 31 HA SER 31 -1.913 0.490 8.300 208 HB2 SER 31 2HB SER 31 -1.801 3.199 9.378 209 HB3 SER 31 1HB SER 31 -2.839 1.849 9.830 210 HG SER 31 HG SER 31 -1.019 1.017 11.034 211 H ILE 32 H ILE 32 0.779 1.979 7.089 212 HA ILE 32 HA ILE 32 -0.570 3.927 5.426 213 HB ILE 32 HB ILE 32 2.142 2.917 4.702 214 HG12 ILE 32 2HG1 ILE 32 1.842 3.227 7.273 215 HG13 ILE 32 1HG1 ILE 32 3.265 3.890 6.480 216 HG21 ILE 32 1HG2 ILE 32 1.034 4.672 3.389 217 HG22 ILE 32 2HG2 ILE 32 0.964 5.696 4.824 218 HG23 ILE 32 3HG2 ILE 32 2.524 5.246 4.136 219 HD11 ILE 32 3HD1 ILE 32 2.407 5.490 8.049 220 HD12 ILE 32 1HD1 ILE 32 2.143 6.093 6.412 221 HD13 ILE 32 2HD1 ILE 32 0.801 5.396 7.322 222 H ALA 33 H ALA 33 -1.895 3.189 3.894 223 HA ALA 33 HA ALA 33 -1.073 0.754 2.469 224 HB1 ALA 33 1HB ALA 33 -3.052 -0.239 2.829 225 HB2 ALA 33 2HB ALA 33 -3.200 0.910 4.157 226 HB3 ALA 33 3HB ALA 33 -3.958 1.257 2.604 227 H CYS 34 H CYS 34 -1.420 0.667 0.287 228 HA CYS 34 HA CYS 34 -2.422 3.123 -0.973 229 HB2 CYS 34 2HB CYS 34 -0.033 2.224 -1.466 230 HB3 CYS 34 1HB CYS 34 -0.861 1.004 -2.428 231 H CYS 35 H CYS 35 -4.148 3.051 -2.233 232 HA CYS 35 HA CYS 35 -5.474 0.444 -2.569 233 HB2 CYS 35 2HB CYS 35 -6.783 3.170 -2.471 234 HB3 CYS 35 1HB CYS 35 -7.594 1.608 -2.489 235 H ASN 36 H ASN 36 -6.469 -0.014 -4.517 236 HA ASN 36 HA ASN 36 -6.207 1.963 -6.676 237 HB2 ASN 36 2HB ASN 36 -4.361 0.177 -6.734 238 HB3 ASN 36 1HB ASN 36 -5.634 -0.972 -7.123 239 HD21 ASN 36 1HD2 ASN 36 -3.898 -1.015 -8.964 240 HD22 ASN 36 2HD2 ASN 36 -4.316 -0.068 -10.358 241 H SER 37 H SER 37 -7.802 1.741 -8.309 242 HA SER 37 HA SER 37 -10.362 1.129 -7.617 243 HB2 SER 37 2HB SER 37 -9.422 0.616 -10.422 244 HB3 SER 37 1HB SER 37 -10.907 1.399 -9.870 245 HG SER 37 HG SER 37 -8.809 2.635 -10.662 246 HA PRO 38 HA PRO 38 -10.691 -3.097 -6.703 247 HB2 PRO 38 2HB PRO 38 -13.213 -3.513 -7.903 248 HB3 PRO 38 1HB PRO 38 -12.896 -3.051 -6.229 249 HG2 PRO 38 2HG PRO 38 -13.610 -1.344 -8.568 250 HG3 PRO 38 1HG PRO 38 -14.055 -1.160 -6.861 251 HD2 PRO 38 2HD PRO 38 -12.195 0.404 -7.968 252 HD3 PRO 38 1HD PRO 38 -11.998 -0.206 -6.307 253 H ALA 39 H ALA 39 -11.704 -2.337 -10.050 254 HA ALA 39 HA ALA 39 -11.390 -5.032 -10.925 255 HB1 ALA 39 1HB ALA 39 -12.452 -4.324 -12.755 256 HB2 ALA 39 2HB ALA 39 -12.615 -2.774 -11.928 257 HB3 ALA 39 3HB ALA 39 -11.275 -3.043 -13.042 258 H GLU 40 H GLU 40 -9.164 -2.623 -10.272 259 HA GLU 40 HA GLU 40 -7.169 -3.732 -12.122 260 HB2 GLU 40 2HB GLU 40 -7.712 -1.072 -11.166 261 HB3 GLU 40 1HB GLU 40 -6.084 -1.534 -10.694 262 HG2 GLU 40 2HG GLU 40 -6.465 -2.315 -13.388 263 HG3 GLU 40 1HG GLU 40 -7.020 -0.651 -13.214 264 H THR 41 H THR 41 -7.839 -2.935 -8.779 265 HA THR 41 HA THR 41 -5.574 -4.005 -7.541 266 HB THR 41 HB THR 41 -8.417 -3.509 -6.717 267 HG1 THR 41 1HG THR 41 -7.505 -1.799 -5.895 268 HG21 THR 41 3HG2 THR 41 -6.486 -5.255 -5.274 269 HG22 THR 41 1HG2 THR 41 -8.246 -5.345 -5.362 270 HG23 THR 41 2HG2 THR 41 -7.475 -4.136 -4.334 271 H ASN 42 H ASN 42 -8.601 -5.498 -8.566 272 HA ASN 42 HA ASN 42 -7.780 -8.101 -7.549 273 HB2 ASN 42 2HB ASN 42 -10.284 -6.821 -8.413 274 HB3 ASN 42 1HB ASN 42 -10.131 -8.512 -8.853 275 HD21 ASN 42 1HD2 ASN 42 -8.531 -7.251 -6.074 276 HD22 ASN 42 2HD2 ASN 42 -9.543 -7.998 -4.887 277 H ASN 43 H ASN 43 -6.993 -6.429 -10.178 278 HA ASN 43 HA ASN 43 -7.261 -8.518 -12.156 279 HB2 ASN 43 2HB ASN 43 -6.843 -5.796 -12.320 280 HB3 ASN 43 1HB ASN 43 -5.248 -6.452 -12.689 281 HD21 ASN 43 1HD2 ASN 43 -8.586 -6.325 -13.653 282 HD22 ASN 43 2HD2 ASN 43 -8.356 -6.918 -15.267 283 H ASP 44 H ASP 44 -5.355 -7.984 -9.524 284 HA ASP 44 HA ASP 44 -3.016 -9.379 -10.569 285 HB2 ASP 44 2HB ASP 44 -2.544 -7.434 -9.193 286 HB3 ASP 44 1HB ASP 44 -3.553 -8.066 -7.892 287 H SER 45 H SER 45 -2.334 -11.363 -9.787 288 HA SER 45 HA SER 45 -4.468 -13.039 -8.775 289 HB2 SER 45 2HB SER 45 -1.729 -14.139 -9.103 290 HB3 SER 45 1HB SER 45 -3.282 -14.806 -9.608 291 HG SER 45 HG SER 45 -3.064 -12.732 -11.081 292 H LEU 46 H LEU 46 -1.744 -11.338 -7.564 293 HA LEU 46 HA LEU 46 -1.424 -12.976 -5.201 294 HB2 LEU 46 2HB LEU 46 -0.034 -10.757 -6.473 295 HB3 LEU 46 1HB LEU 46 -0.163 -10.542 -4.738 296 HG LEU 46 HG LEU 46 0.925 -12.723 -4.389 297 HD11 LEU 46 1HD1 LEU 46 0.553 -14.124 -6.138 298 HD12 LEU 46 2HD1 LEU 46 0.695 -12.843 -7.343 299 HD13 LEU 46 3HD1 LEU 46 2.144 -13.520 -6.600 300 HD21 LEU 46 3HD2 LEU 46 2.905 -11.564 -6.165 301 HD22 LEU 46 1HD2 LEU 46 2.095 -10.347 -5.178 302 HD23 LEU 46 2HD2 LEU 46 2.908 -11.710 -4.407 303 H LEU 47 H LEU 47 -2.503 -9.644 -5.863 304 HA LEU 47 HA LEU 47 -3.309 -8.913 -3.320 305 HB2 LEU 47 2HB LEU 47 -3.431 -7.785 -5.827 306 HB3 LEU 47 1HB LEU 47 -5.127 -7.974 -5.411 307 HG LEU 47 HG LEU 47 -3.177 -6.617 -3.558 308 HD11 LEU 47 1HD1 LEU 47 -3.269 -4.684 -4.679 309 HD12 LEU 47 2HD1 LEU 47 -3.650 -5.703 -6.068 310 HD13 LEU 47 3HD1 LEU 47 -4.946 -4.925 -5.159 311 HD21 LEU 47 3HD2 LEU 47 -5.718 -7.473 -3.123 312 HD22 LEU 47 1HD2 LEU 47 -4.959 -6.120 -2.284 313 HD23 LEU 47 2HD2 LEU 47 -6.000 -5.824 -3.677 314 H SER 48 H SER 48 -5.060 -10.816 -5.696 315 HA SER 48 HA SER 48 -7.598 -10.708 -4.545 316 HB2 SER 48 2HB SER 48 -6.769 -11.668 -6.821 317 HB3 SER 48 1HB SER 48 -6.601 -13.182 -5.924 318 HG SER 48 HG SER 48 -9.002 -11.813 -5.595 319 H GLY 49 H GLY 49 -4.774 -12.541 -3.593 320 HA2 GLY 49 1HA GLY 49 -6.361 -13.879 -1.492 321 HA3 GLY 49 2HA GLY 49 -4.747 -14.356 -1.999 322 H LEU 50 H LEU 50 -3.978 -11.478 -2.092 323 HA LEU 50 HA LEU 50 -2.874 -11.259 0.504 324 HB2 LEU 50 2HB LEU 50 -1.672 -10.345 -1.338 325 HB3 LEU 50 1HB LEU 50 -3.039 -9.370 -1.841 326 HG LEU 50 HG LEU 50 -2.423 -8.539 0.772 327 HD11 LEU 50 1HD1 LEU 50 -0.095 -9.563 -0.573 328 HD12 LEU 50 2HD1 LEU 50 0.049 -7.826 -0.299 329 HD13 LEU 50 3HD1 LEU 50 -0.256 -8.909 1.058 330 HD21 LEU 50 3HD2 LEU 50 -1.702 -6.474 -0.474 331 HD22 LEU 50 1HD2 LEU 50 -1.987 -7.374 -1.965 332 HD23 LEU 50 2HD2 LEU 50 -3.319 -7.069 -0.847 333 H LEU 51 H LEU 51 -5.847 -10.256 -0.884 334 HA LEU 51 HA LEU 51 -6.702 -8.065 0.501 335 HB2 LEU 51 2HB LEU 51 -7.952 -10.370 -0.742 336 HB3 LEU 51 1HB LEU 51 -8.870 -9.817 0.643 337 HG LEU 51 HG LEU 51 -8.283 -7.493 -0.792 338 HD11 LEU 51 1HD1 LEU 51 -8.750 -7.858 -3.019 339 HD12 LEU 51 2HD1 LEU 51 -7.749 -9.257 -2.629 340 HD13 LEU 51 3HD1 LEU 51 -9.501 -9.424 -2.715 341 HD21 LEU 51 3HD2 LEU 51 -10.796 -9.159 -0.749 342 HD22 LEU 51 1HD2 LEU 51 -10.308 -8.008 0.494 343 HD23 LEU 51 2HD2 LEU 51 -10.686 -7.440 -1.135 344 H GLY 52 H GLY 52 -6.362 -11.332 1.748 345 HA2 GLY 52 1HA GLY 52 -6.819 -10.244 4.438 346 HA3 GLY 52 2HA GLY 52 -7.628 -11.724 3.944 347 H ALA 53 H ALA 53 -4.408 -10.266 4.386 348 HA ALA 53 HA ALA 53 -3.038 -12.749 4.424 349 HB1 ALA 53 1HB ALA 53 -2.135 -10.263 4.310 350 HB2 ALA 53 2HB ALA 53 -2.020 -10.470 6.057 351 HB3 ALA 53 3HB ALA 53 -1.150 -11.562 4.980 352 H GLY 54 H GLY 54 -4.818 -10.904 6.759 353 HA2 GLY 54 1HA GLY 54 -4.746 -13.232 8.560 354 HA3 GLY 54 2HA GLY 54 -4.602 -11.598 9.206 355 H LEU 55 H LEU 55 -6.425 -10.571 9.742 356 HA LEU 55 HA LEU 55 -8.951 -11.498 8.540 357 HB2 LEU 55 2HB LEU 55 -8.548 -10.225 11.251 358 HB3 LEU 55 1HB LEU 55 -10.077 -10.758 10.582 359 HG LEU 55 HG LEU 55 -8.158 -12.923 10.624 360 HD11 LEU 55 1HD1 LEU 55 -8.939 -12.317 13.380 361 HD12 LEU 55 2HD1 LEU 55 -7.430 -12.978 12.743 362 HD13 LEU 55 3HD1 LEU 55 -7.718 -11.237 12.710 363 HD21 LEU 55 3HD2 LEU 55 -9.986 -14.060 11.743 364 HD22 LEU 55 1HD2 LEU 55 -10.809 -12.520 11.999 365 HD23 LEU 55 2HD2 LEU 55 -10.591 -13.142 10.364 366 H LEU 56 H LEU 56 -7.547 -9.763 7.096 367 HA LEU 56 HA LEU 56 -7.957 -7.034 7.875 368 HB2 LEU 56 2HB LEU 56 -6.692 -8.433 5.577 369 HB3 LEU 56 1HB LEU 56 -7.146 -6.751 5.377 370 HG LEU 56 HG LEU 56 -5.584 -7.424 7.806 371 HD11 LEU 56 1HD1 LEU 56 -4.129 -7.073 5.221 372 HD12 LEU 56 2HD1 LEU 56 -3.546 -7.717 6.756 373 HD13 LEU 56 3HD1 LEU 56 -4.630 -8.679 5.754 374 HD21 LEU 56 3HD2 LEU 56 -5.204 -5.201 5.824 375 HD22 LEU 56 1HD2 LEU 56 -6.412 -5.128 7.108 376 HD23 LEU 56 2HD2 LEU 56 -4.700 -5.263 7.513 377 H ASN 57 H ASN 57 -8.725 -5.553 5.961 378 HA ASN 57 HA ASN 57 -11.275 -6.533 4.911 379 HB2 ASN 57 2HB ASN 57 -10.871 -4.424 6.964 380 HB3 ASN 57 1HB ASN 57 -12.041 -4.079 5.694 381 HD21 ASN 57 1HD2 ASN 57 -14.050 -4.804 5.974 382 HD22 ASN 57 2HD2 ASN 57 -14.524 -5.966 7.164 383 H GLY 58 H GLY 58 -12.272 -4.412 3.743 384 HA2 GLY 58 1HA GLY 58 -10.094 -3.456 1.997 385 HA3 GLY 58 2HA GLY 58 -11.732 -3.768 1.442 386 H LEU 59 H LEU 59 -12.417 -1.814 0.780 387 HA LEU 59 HA LEU 59 -11.741 0.651 1.976 388 HB2 LEU 59 2HB LEU 59 -13.178 -0.244 -0.282 389 HB3 LEU 59 1HB LEU 59 -14.296 0.741 0.637 390 HG LEU 59 HG LEU 59 -13.109 2.004 -1.117 391 HD11 LEU 59 1HD1 LEU 59 -13.894 2.974 1.122 392 HD12 LEU 59 2HD1 LEU 59 -12.181 3.022 1.543 393 HD13 LEU 59 3HD1 LEU 59 -12.773 3.926 0.147 394 HD21 LEU 59 3HD2 LEU 59 -11.005 0.884 -1.182 395 HD22 LEU 59 1HD2 LEU 59 -10.714 2.562 -0.721 396 HD23 LEU 59 2HD2 LEU 59 -10.673 1.291 0.504 397 H SER 60 H SER 60 -12.973 2.040 3.276 398 HA SER 60 HA SER 60 -14.239 0.972 5.480 399 HB2 SER 60 2HB SER 60 -15.232 3.538 5.337 400 HB3 SER 60 1HB SER 60 -13.661 3.094 6.005 401 HG SER 60 HG SER 60 -14.124 4.642 3.939 402 H GLY 61 H GLY 61 -15.862 -0.521 4.876 403 HA2 GLY 61 1HA GLY 61 -18.204 -0.851 4.941 404 HA3 GLY 61 2HA GLY 61 -18.427 0.746 4.244 405 H ASN 62 H ASN 62 -16.010 -0.728 2.544 406 HA ASN 62 HA ASN 62 -17.909 -1.803 0.565 407 HB2 ASN 62 2HB ASN 62 -16.840 0.428 -0.012 408 HB3 ASN 62 1HB ASN 62 -15.302 -0.426 -0.085 409 HD21 ASN 62 1HD2 ASN 62 -17.243 0.945 -2.043 410 HD22 ASN 62 2HD2 ASN 62 -17.297 -0.173 -3.360 411 H THR 63 H THR 63 -17.654 -3.953 0.997 412 HA THR 63 HA THR 63 -15.039 -5.122 1.293 413 HB THR 63 HB THR 63 -17.117 -7.057 0.800 414 HG1 THR 63 1HG THR 63 -18.095 -6.144 3.001 415 HG21 THR 63 3HG2 THR 63 -16.559 -7.611 3.210 416 HG22 THR 63 1HG2 THR 63 -15.419 -6.262 3.161 417 HG23 THR 63 2HG2 THR 63 -15.205 -7.639 2.082 418 H GLY 64 H GLY 64 -14.325 -4.247 -0.822 419 HA2 GLY 64 1HA GLY 64 -14.331 -6.312 -2.798 420 HA3 GLY 64 2HA GLY 64 -15.280 -4.919 -3.312 421 H SER 65 H SER 65 -13.909 -2.804 -2.379 422 HA SER 65 HA SER 65 -11.494 -2.813 -3.959 423 HB2 SER 65 2HB SER 65 -11.985 -0.496 -2.209 424 HB3 SER 65 1HB SER 65 -11.727 -0.552 -3.951 425 HG SER 65 HG SER 65 -13.980 -1.492 -3.932 426 H ALA 66 H ALA 66 -9.648 -3.600 -3.143 427 HA ALA 66 HA ALA 66 -9.287 -3.603 -0.227 428 HB1 ALA 66 1HB ALA 66 -8.717 -5.543 -2.324 429 HB2 ALA 66 2HB ALA 66 -7.355 -5.278 -1.238 430 HB3 ALA 66 3HB ALA 66 -8.916 -5.780 -0.588 431 H CYS 67 H CYS 67 -7.197 -3.178 0.631 432 HA CYS 67 HA CYS 67 -5.359 -1.691 -1.110 433 HB2 CYS 67 2HB CYS 67 -6.037 -0.814 1.696 434 HB3 CYS 67 1HB CYS 67 -5.099 0.058 0.491 435 H ALA 68 H ALA 68 -3.200 -2.009 -0.653 436 HA ALA 68 HA ALA 68 -2.642 -3.886 1.536 437 HB1 ALA 68 1HB ALA 68 -0.999 -3.346 -0.931 438 HB2 ALA 68 2HB ALA 68 -0.574 -4.469 0.362 439 HB3 ALA 68 3HB ALA 68 -2.001 -4.768 -0.634 440 H LYS 69 H LYS 69 -1.606 -3.158 3.220 441 HA LYS 69 HA LYS 69 -0.423 -0.534 3.269 442 HB2 LYS 69 2HB LYS 69 -0.168 -2.578 5.461 443 HB3 LYS 69 1HB LYS 69 -0.227 -0.824 5.594 444 HG2 LYS 69 2HG LYS 69 -2.421 -0.864 5.885 445 HG3 LYS 69 1HG LYS 69 -2.650 -1.784 4.397 446 HD2 LYS 69 2HD LYS 69 -1.833 -3.038 7.008 447 HD3 LYS 69 1HD LYS 69 -3.515 -2.857 6.505 448 HE2 LYS 69 2HE LYS 69 -3.226 -4.888 5.587 449 HE3 LYS 69 1HE LYS 69 -2.427 -3.993 4.295 450 HZ1 LYS 69 3HZ LYS 69 -0.497 -4.386 6.206 451 HZ2 LYS 69 1HZ LYS 69 -0.649 -5.214 4.738 452 HZ3 LYS 69 2HZ LYS 69 -1.332 -5.857 6.150 453 H ALA 70 H ALA 70 1.805 -0.265 4.195 454 HA ALA 70 HA ALA 70 3.755 -1.281 2.552 455 HB1 ALA 70 1HB ALA 70 5.336 -0.648 4.487 456 HB2 ALA 70 2HB ALA 70 4.350 0.609 3.742 457 HB3 ALA 70 3HB ALA 70 3.867 -0.087 5.286 458 H SER 71 H SER 71 2.656 -2.577 5.643 459 HA SER 71 HA SER 71 4.633 -4.515 6.018 460 HB2 SER 71 2HB SER 71 2.491 -5.673 7.169 461 HB3 SER 71 1HB SER 71 3.348 -4.315 7.903 462 HG SER 71 HG SER 71 0.917 -4.235 7.595 463 H LEU 72 H LEU 72 1.684 -4.520 4.107 464 HA LEU 72 HA LEU 72 1.915 -7.334 3.494 465 HB2 LEU 72 2HB LEU 72 -0.161 -5.418 3.409 466 HB3 LEU 72 1HB LEU 72 0.070 -5.993 1.765 467 HG LEU 72 HG LEU 72 -0.461 -8.206 2.333 468 HD11 LEU 72 1HD1 LEU 72 -0.168 -7.411 5.224 469 HD12 LEU 72 2HD1 LEU 72 -0.670 -9.000 4.640 470 HD13 LEU 72 3HD1 LEU 72 0.954 -8.405 4.285 471 HD21 LEU 72 3HD2 LEU 72 -2.303 -6.910 4.268 472 HD22 LEU 72 1HD2 LEU 72 -2.308 -6.337 2.599 473 HD23 LEU 72 2HD2 LEU 72 -2.646 -8.034 2.951 474 H ILE 73 H ILE 73 2.855 -4.315 2.128 475 HA ILE 73 HA ILE 73 3.405 -5.173 -0.496 476 HB ILE 73 HB ILE 73 4.369 -2.930 1.227 477 HG12 ILE 73 2HG1 ILE 73 3.558 -2.455 -1.544 478 HG13 ILE 73 1HG1 ILE 73 2.327 -3.265 -0.582 479 HG21 ILE 73 1HG2 ILE 73 5.767 -3.944 -1.203 480 HG22 ILE 73 2HG2 ILE 73 5.679 -2.209 -0.914 481 HG23 ILE 73 3HG2 ILE 73 6.435 -3.263 0.279 482 HD11 ILE 73 3HD1 ILE 73 2.094 -1.468 0.854 483 HD12 ILE 73 1HD1 ILE 73 3.680 -0.809 0.446 484 HD13 ILE 73 2HD1 ILE 73 2.350 -0.692 -0.706 485 H ASP 74 H ASP 74 5.255 -5.241 2.510 486 HA ASP 74 HA ASP 74 7.479 -6.612 1.287 487 HB2 ASP 74 2HB ASP 74 7.534 -4.980 3.317 488 HB3 ASP 74 1HB ASP 74 7.085 -6.404 4.251 489 H GLN 75 H GLN 75 4.462 -7.580 2.190 490 HA GLN 75 HA GLN 75 5.189 -10.092 3.405 491 HB2 GLN 75 2HB GLN 75 2.853 -8.546 3.288 492 HB3 GLN 75 1HB GLN 75 2.480 -10.012 2.391 493 HG2 GLN 75 2HG GLN 75 1.847 -10.422 4.617 494 HG3 GLN 75 1HG GLN 75 3.356 -11.300 4.372 495 HE21 GLN 75 1HE2 GLN 75 5.350 -10.020 4.968 496 HE22 GLN 75 2HE2 GLN 75 5.254 -9.077 6.412 497 H LEU 76 H LEU 76 3.697 -9.084 0.343 498 HA LEU 76 HA LEU 76 4.362 -11.750 -0.708 499 HB2 LEU 76 2HB LEU 76 2.039 -9.973 -1.021 500 HB3 LEU 76 1HB LEU 76 2.590 -10.730 -2.503 501 HG LEU 76 HG LEU 76 2.302 -12.941 -1.515 502 HD11 LEU 76 1HD1 LEU 76 1.951 -13.358 0.665 503 HD12 LEU 76 2HD1 LEU 76 2.583 -11.727 0.905 504 HD13 LEU 76 3HD1 LEU 76 0.840 -12.000 0.846 505 HD21 LEU 76 3HD2 LEU 76 0.424 -11.968 -2.679 506 HD22 LEU 76 1HD2 LEU 76 -0.145 -12.913 -1.301 507 HD23 LEU 76 2HD2 LEU 76 -0.096 -11.151 -1.205 508 H GLY 77 H GLY 77 4.937 -8.381 -1.030 509 HA2 GLY 77 1HA GLY 77 6.536 -7.326 -2.374 510 HA3 GLY 77 2HA GLY 77 6.803 -8.857 -3.203 511 H LEU 78 H LEU 78 3.896 -6.917 -2.710 512 HA LEU 78 HA LEU 78 2.968 -7.502 -5.338 513 HB2 LEU 78 2HB LEU 78 1.915 -6.541 -2.873 514 HB3 LEU 78 1HB LEU 78 1.439 -5.448 -4.160 515 HG LEU 78 HG LEU 78 0.938 -7.894 -5.264 516 HD11 LEU 78 1HD1 LEU 78 0.746 -8.086 -2.324 517 HD12 LEU 78 2HD1 LEU 78 -0.572 -8.782 -3.265 518 HD13 LEU 78 3HD1 LEU 78 1.083 -9.333 -3.524 519 HD21 LEU 78 3HD2 LEU 78 -1.468 -7.246 -4.248 520 HD22 LEU 78 1HD2 LEU 78 -0.612 -5.722 -4.026 521 HD23 LEU 78 2HD2 LEU 78 -0.740 -6.434 -5.633 522 H LEU 79 H LEU 79 2.652 -6.154 -7.048 523 HA LEU 79 HA LEU 79 3.590 -3.391 -6.790 524 HB2 LEU 79 2HB LEU 79 4.449 -3.554 -9.133 525 HB3 LEU 79 1HB LEU 79 5.339 -4.508 -7.965 526 HG LEU 79 HG LEU 79 3.291 -6.138 -9.130 527 HD11 LEU 79 1HD1 LEU 79 5.144 -4.834 -11.117 528 HD12 LEU 79 2HD1 LEU 79 4.022 -6.154 -11.443 529 HD13 LEU 79 3HD1 LEU 79 3.407 -4.560 -11.006 530 HD21 LEU 79 3HD2 LEU 79 5.157 -7.184 -8.183 531 HD22 LEU 79 1HD2 LEU 79 5.397 -7.371 -9.918 532 HD23 LEU 79 2HD2 LEU 79 6.290 -6.137 -9.035 533 H ALA 80 H ALA 80 0.931 -4.982 -6.945 534 HA ALA 80 HA ALA 80 -0.318 -3.999 -9.344 535 HB1 ALA 80 1HB ALA 80 -2.418 -4.866 -8.245 536 HB2 ALA 80 2HB ALA 80 -1.146 -6.060 -8.500 537 HB3 ALA 80 3HB ALA 80 -1.405 -5.377 -6.896 538 H LEU 81 H LEU 81 0.115 -2.874 -6.104 539 HA LEU 81 HA LEU 81 -1.788 -0.683 -6.582 540 HB2 LEU 81 2HB LEU 81 -0.605 -1.612 -3.964 541 HB3 LEU 81 1HB LEU 81 -1.799 -0.344 -4.163 542 HG LEU 81 HG LEU 81 -2.452 -3.081 -5.146 543 HD11 LEU 81 1HD1 LEU 81 -1.566 -3.516 -2.950 544 HD12 LEU 81 2HD1 LEU 81 -2.528 -2.205 -2.266 545 HD13 LEU 81 3HD1 LEU 81 -3.324 -3.643 -2.912 546 HD21 LEU 81 3HD2 LEU 81 -4.022 -1.332 -5.612 547 HD22 LEU 81 1HD2 LEU 81 -4.697 -2.371 -4.357 548 HD23 LEU 81 2HD2 LEU 81 -4.006 -0.807 -3.928 549 H VAL 82 H VAL 82 1.320 -1.257 -7.060 550 HA VAL 82 HA VAL 82 2.161 1.350 -6.008 551 HB VAL 82 HB VAL 82 3.322 -1.174 -5.505 552 HG11 VAL 82 1HG1 VAL 82 4.765 0.276 -7.615 553 HG12 VAL 82 2HG1 VAL 82 5.748 -0.206 -6.236 554 HG13 VAL 82 3HG1 VAL 82 4.847 -1.422 -7.143 555 HG21 VAL 82 3HG2 VAL 82 4.634 1.469 -4.966 556 HG22 VAL 82 1HG2 VAL 82 3.166 0.961 -4.122 557 HG23 VAL 82 2HG2 VAL 82 4.646 0.006 -3.977 558 H ASP 83 H ASP 83 3.083 2.758 -7.330 559 HA ASP 83 HA ASP 83 3.626 1.906 -10.095 560 HB2 ASP 83 2HB ASP 83 1.644 3.566 -9.588 561 HB3 ASP 83 1HB ASP 83 2.932 4.751 -9.413 562 H HIS 84 H HIS 84 5.529 2.787 -11.041 563 HA HIS 84 HA HIS 84 7.406 3.618 -8.945 564 HB2 HIS 84 2HB HIS 84 7.928 1.468 -10.071 565 HB3 HIS 84 1HB HIS 84 8.074 2.335 -11.599 566 HD1 HIS 84 1HD HIS 84 9.827 1.813 -8.330 567 HD2 HIS 84 2HD HIS 84 10.404 3.846 -11.903 568 HE1 HIS 84 1HE HIS 84 12.176 2.682 -8.234 569 HE2 HIS 84 2HE HIS 84 12.561 3.800 -10.466 570 H THR 85 H THR 85 7.722 5.685 -8.908 571 HA THR 85 HA THR 85 8.019 7.130 -11.458 572 HB THR 85 HB THR 85 7.824 9.195 -10.056 573 HG1 THR 85 1HG THR 85 6.615 7.918 -7.964 574 HG21 THR 85 3HG2 THR 85 5.415 7.470 -9.590 575 HG22 THR 85 1HG2 THR 85 5.883 7.957 -11.219 576 HG23 THR 85 2HG2 THR 85 5.491 9.183 -10.014 577 H GLU 86 H GLU 86 9.526 9.245 -10.698 578 HA GLU 86 HA GLU 86 12.146 8.279 -10.726 579 HB2 GLU 86 2HB GLU 86 12.778 10.653 -10.332 580 HB3 GLU 86 1HB GLU 86 11.613 10.440 -11.631 581 HG2 GLU 86 2HG GLU 86 10.646 11.060 -8.876 582 HG3 GLU 86 1HG GLU 86 11.317 12.344 -9.876 583 H GLU 87 H GLU 87 10.032 8.942 -8.064 584 HA GLU 87 HA GLU 87 12.148 9.152 -6.118 585 HB2 GLU 87 2HB GLU 87 9.360 9.696 -6.175 586 HB3 GLU 87 1HB GLU 87 9.641 8.523 -4.896 587 HG2 GLU 87 2HG GLU 87 10.074 10.314 -3.642 588 HG3 GLU 87 1HG GLU 87 11.648 10.294 -4.437 589 H GLY 88 H GLY 88 10.021 6.653 -7.342 590 HA2 GLY 88 1HA GLY 88 11.289 4.406 -6.933 591 HA3 GLY 88 2HA GLY 88 10.943 4.811 -5.256 592 HA PRO 89 HA PRO 89 7.276 2.367 -6.699 593 HB2 PRO 89 2HB PRO 89 7.567 1.044 -4.112 594 HB3 PRO 89 1HB PRO 89 7.545 0.335 -5.728 595 HG2 PRO 89 2HG PRO 89 9.777 0.415 -4.193 596 HG3 PRO 89 1HG PRO 89 9.826 0.476 -5.964 597 HD2 PRO 89 2HD PRO 89 10.070 2.711 -3.980 598 HD3 PRO 89 1HD PRO 89 10.982 2.440 -5.481 599 H VAL 90 H VAL 90 5.882 4.082 -6.438 600 HA VAL 90 HA VAL 90 5.166 4.850 -3.679 601 HB VAL 90 HB VAL 90 4.167 6.887 -5.112 602 HG11 VAL 90 1HG1 VAL 90 6.330 8.087 -4.605 603 HG12 VAL 90 2HG1 VAL 90 5.583 7.245 -3.249 604 HG13 VAL 90 3HG1 VAL 90 6.971 6.530 -4.069 605 HG21 VAL 90 3HG2 VAL 90 5.851 7.513 -6.837 606 HG22 VAL 90 1HG2 VAL 90 6.540 5.896 -6.691 607 HG23 VAL 90 2HG2 VAL 90 4.882 6.102 -7.258 608 H CYS 91 H CYS 91 2.820 6.108 -4.021 609 HA CYS 91 HA CYS 91 1.024 3.935 -4.290 610 HB2 CYS 91 2HB CYS 91 0.948 6.515 -3.170 611 HB3 CYS 91 1HB CYS 91 -0.318 6.490 -4.391 612 H LYS 92 H LYS 92 -0.045 3.212 -5.965 613 HA LYS 92 HA LYS 92 0.446 4.268 -8.565 614 HB2 LYS 92 2HB LYS 92 0.235 1.883 -8.245 615 HB3 LYS 92 1HB LYS 92 -1.383 2.076 -7.584 616 HG2 LYS 92 2HG LYS 92 -2.073 1.593 -9.652 617 HG3 LYS 92 1HG LYS 92 -1.628 3.261 -10.032 618 HD2 LYS 92 2HD LYS 92 0.636 2.473 -10.643 619 HD3 LYS 92 1HD LYS 92 0.100 0.816 -10.355 620 HE2 LYS 92 2HE LYS 92 -0.200 0.975 -12.624 621 HE3 LYS 92 1HE LYS 92 -1.794 1.452 -12.043 622 HZ1 LYS 92 3HZ LYS 92 -0.560 2.862 -13.828 623 HZ2 LYS 92 1HZ LYS 92 0.245 3.525 -12.484 624 HZ3 LYS 92 2HZ LYS 92 -1.448 3.630 -12.605 625 H ASN 93 H ASN 93 -2.248 4.467 -6.302 626 HA ASN 93 HA ASN 93 -3.669 6.202 -8.178 627 HB2 ASN 93 2HB ASN 93 -4.407 3.452 -7.584 628 HB3 ASN 93 1HB ASN 93 -5.701 4.572 -7.180 629 HD21 ASN 93 1HD2 ASN 93 -3.315 4.806 -9.783 630 HD22 ASN 93 2HD2 ASN 93 -4.467 4.732 -11.070 631 H ILE 94 H ILE 94 -4.703 4.480 -5.245 632 HA ILE 94 HA ILE 94 -5.587 7.080 -4.177 633 HB ILE 94 HB ILE 94 -6.713 4.333 -3.604 634 HG12 ILE 94 2HG1 ILE 94 -8.339 6.264 -5.124 635 HG13 ILE 94 1HG1 ILE 94 -6.932 5.647 -5.981 636 HG21 ILE 94 1HG2 ILE 94 -7.021 6.742 -2.229 637 HG22 ILE 94 2HG2 ILE 94 -8.508 6.520 -3.152 638 HG23 ILE 94 3HG2 ILE 94 -7.964 5.264 -2.042 639 HD11 ILE 94 3HD1 ILE 94 -9.315 4.450 -6.001 640 HD12 ILE 94 1HD1 ILE 94 -7.788 3.578 -6.166 641 HD13 ILE 94 2HD1 ILE 94 -8.597 3.653 -4.601 642 H VAL 95 H VAL 95 -4.964 7.689 -2.145 643 HA VAL 95 HA VAL 95 -3.246 5.831 -0.656 644 HB VAL 95 HB VAL 95 -2.318 7.705 0.528 645 HG11 VAL 95 1HG1 VAL 95 -2.232 7.475 -2.325 646 HG12 VAL 95 2HG1 VAL 95 -2.024 9.164 -1.857 647 HG13 VAL 95 3HG1 VAL 95 -0.949 7.929 -1.201 648 HG21 VAL 95 3HG2 VAL 95 -3.078 9.893 0.490 649 HG22 VAL 95 1HG2 VAL 95 -3.978 9.662 -1.009 650 HG23 VAL 95 2HG2 VAL 95 -4.580 8.967 0.497 651 H ALA 96 H ALA 96 -3.667 5.232 1.441 652 HA ALA 96 HA ALA 96 -5.889 6.386 2.891 653 HB1 ALA 96 1HB ALA 96 -7.378 4.657 2.807 654 HB2 ALA 96 2HB ALA 96 -6.688 4.539 1.188 655 HB3 ALA 96 3HB ALA 96 -6.135 3.453 2.464 656 H CYS 97 H CYS 97 -6.183 5.348 5.043 657 HA CYS 97 HA CYS 97 -3.704 4.051 5.942 658 HB2 CYS 97 2HB CYS 97 -5.561 5.315 7.908 659 HB3 CYS 97 1HB CYS 97 -3.815 5.115 7.986 660 H CYS 98 H CYS 98 -3.879 1.977 6.386 661 HA CYS 98 HA CYS 98 -6.522 0.896 7.125 662 HB2 CYS 98 2HB CYS 98 -5.872 0.372 4.767 663 HB3 CYS 98 1HB CYS 98 -4.454 -0.466 5.390 664 HA PRO 99 HA PRO 99 -4.042 -0.643 10.506 665 HB2 PRO 99 2HB PRO 99 -6.043 -1.478 12.062 666 HB3 PRO 99 1HB PRO 99 -5.785 0.245 11.756 667 HG2 PRO 99 2HG PRO 99 -7.785 -1.613 10.532 668 HG3 PRO 99 1HG PRO 99 -7.994 0.064 11.067 669 HD2 PRO 99 2HD PRO 99 -7.552 -0.724 8.443 670 HD3 PRO 99 1HD PRO 99 -7.241 0.903 9.081 671 H GLU 100 H GLU 100 -2.945 -2.534 10.518 672 HA GLU 100 HA GLU 100 -4.008 -4.933 9.399 673 HB2 GLU 100 2HB GLU 100 -1.522 -4.166 9.674 674 HB3 GLU 100 1HB GLU 100 -1.659 -4.924 11.256 675 HG2 GLU 100 2HG GLU 100 -1.125 -6.840 10.275 676 HG3 GLU 100 1HG GLU 100 -2.718 -6.802 9.512 677 H GLY 101 H GLY 101 -5.715 -5.822 10.393 678 HA2 GLY 101 1HA GLY 101 -5.399 -7.422 12.611 679 HA3 GLY 101 2HA GLY 101 -6.063 -5.907 13.210 680 H THR 102 H THR 102 -8.069 -5.164 12.330 681 HA THR 102 HA THR 102 -9.639 -6.851 10.624 682 HB THR 102 HB THR 102 -11.012 -6.417 13.225 683 HG1 THR 102 1HG THR 102 -8.852 -8.184 12.832 684 HG21 THR 102 3HG2 THR 102 -11.384 -7.865 10.807 685 HG22 THR 102 1HG2 THR 102 -12.498 -7.696 12.165 686 HG23 THR 102 2HG2 THR 102 -11.323 -9.016 12.143 687 H THR 103 H THR 103 -11.754 -5.873 10.173 688 HA THR 103 HA THR 103 -13.216 -4.163 9.819 689 HB THR 103 HB THR 103 -11.534 -2.446 11.665 690 HG1 THR 103 1HG THR 103 -13.705 -4.223 12.172 691 HG21 THR 103 3HG2 THR 103 -14.419 -1.987 11.490 692 HG22 THR 103 1HG2 THR 103 -13.565 -1.683 9.977 693 HG23 THR 103 2HG2 THR 103 -13.085 -0.831 11.449 694 H ASN 104 H ASN 104 -13.344 -2.259 8.504 695 HA ASN 104 HA ASN 104 -11.444 -2.583 6.421 696 HB2 ASN 104 2HB ASN 104 -12.891 -0.655 5.398 697 HB3 ASN 104 1HB ASN 104 -13.552 -2.276 5.569 698 HD21 ASN 104 1HD2 ASN 104 -13.197 0.615 7.635 699 HD22 ASN 104 2HD2 ASN 104 -14.844 0.612 8.182 700 H CYS 105 H CYS 105 -10.817 -0.567 5.139 701 HA CYS 105 HA CYS 105 -9.333 1.206 6.962 702 HB2 CYS 105 2HB CYS 105 -8.415 1.019 4.180 703 HB3 CYS 105 1HB CYS 105 -7.502 0.883 5.675 704 H VAL 106 H VAL 106 -9.318 3.405 6.505 705 HA VAL 106 HA VAL 106 -11.485 4.246 4.735 706 HB VAL 106 HB VAL 106 -12.113 5.504 6.464 707 HG11 VAL 106 1HG1 VAL 106 -9.580 5.491 7.998 708 HG12 VAL 106 2HG1 VAL 106 -11.242 5.257 8.541 709 HG13 VAL 106 3HG1 VAL 106 -10.384 3.941 7.740 710 HG21 VAL 106 3HG2 VAL 106 -11.419 7.535 5.892 711 HG22 VAL 106 1HG2 VAL 106 -10.131 7.326 7.081 712 HG23 VAL 106 2HG2 VAL 106 -9.838 6.935 5.387 713 H ALA 107 H ALA 107 -11.090 5.273 2.914 714 HA ALA 107 HA ALA 107 -8.352 6.075 2.286 715 HB1 ALA 107 1HB ALA 107 -10.315 6.460 0.178 716 HB2 ALA 107 2HB ALA 107 -8.826 5.516 0.171 717 HB3 ALA 107 3HB ALA 107 -10.314 4.809 0.800 718 H VAL 108 H VAL 108 -7.750 8.154 1.979 719 HA VAL 108 HA VAL 108 -9.767 10.177 2.615 720 HB VAL 108 HB VAL 108 -7.564 11.628 2.817 721 HG11 VAL 108 1HG1 VAL 108 -8.405 11.691 4.865 722 HG12 VAL 108 2HG1 VAL 108 -9.212 10.142 4.623 723 HG13 VAL 108 3HG1 VAL 108 -7.561 10.187 5.230 724 HG21 VAL 108 3HG2 VAL 108 -5.828 10.239 2.271 725 HG22 VAL 108 1HG2 VAL 108 -5.896 9.962 4.011 726 HG23 VAL 108 2HG2 VAL 108 -6.631 8.802 2.902 727 H ASP 109 H ASP 109 -8.449 8.867 0.008 728 HA ASP 109 HA ASP 109 -7.983 11.320 -1.476 729 HB2 ASP 109 2HB ASP 109 -6.485 9.473 -1.993 730 HB3 ASP 109 1HB ASP 109 -7.855 8.438 -2.399 731 H ASN 110 H ASN 110 -10.161 12.033 -1.063 732 HA ASN 110 HA ASN 110 -11.782 11.315 -3.390 733 HB2 ASN 110 2HB ASN 110 -13.809 11.178 -2.223 734 HB3 ASN 110 1HB ASN 110 -12.688 10.326 -1.170 735 HD21 ASN 110 1HD2 ASN 110 -12.086 11.247 0.779 736 HD22 ASN 110 2HD2 ASN 110 -12.954 12.569 1.476 737 H ALA 111 H ALA 111 -10.373 13.577 -1.327 738 HA ALA 111 HA ALA 111 -11.802 15.818 -2.549 739 HB1 ALA 111 1HB ALA 111 -9.944 15.622 -0.192 740 HB2 ALA 111 2HB ALA 111 -10.434 17.166 -0.892 741 HB3 ALA 111 3HB ALA 111 -11.645 16.083 -0.208 742 H GLY 112 H GLY 112 -9.239 13.886 -3.184 743 HA2 GLY 112 1HA GLY 112 -7.961 14.264 -5.173 744 HA3 GLY 112 2HA GLY 112 -7.959 15.982 -4.797 745 H ALA 113 H ALA 113 -6.493 12.888 -4.147 746 HA ALA 113 HA ALA 113 -4.431 14.126 -2.481 747 HB1 ALA 113 1HB ALA 113 -5.537 11.669 -2.346 748 HB2 ALA 113 2HB ALA 113 -4.126 11.316 -3.347 749 HB3 ALA 113 3HB ALA 113 -3.917 12.045 -1.753 750 H GLY 114 H GLY 114 -2.282 12.435 -3.399 751 HA2 GLY 114 1HA GLY 114 -1.893 13.371 -6.160 752 HA3 GLY 114 2HA GLY 114 -0.692 13.763 -4.936 753 H THR 115 H THR 115 -0.059 12.345 -7.233 754 HA THR 115 HA THR 115 0.027 9.544 -6.811 755 HB THR 115 HB THR 115 2.201 10.079 -8.394 756 HG1 THR 115 1HG THR 115 1.979 11.998 -9.341 757 HG21 THR 115 3HG2 THR 115 -0.619 10.142 -9.457 758 HG22 THR 115 1HG2 THR 115 0.122 8.671 -8.827 759 HG23 THR 115 2HG2 THR 115 0.825 9.482 -10.225 760 H LYS 116 H LYS 116 2.661 11.915 -6.693 761 HA LYS 116 HA LYS 116 3.599 10.934 -4.151 762 HB2 LYS 116 2HB LYS 116 5.853 10.368 -4.933 763 HB3 LYS 116 1HB LYS 116 4.648 9.329 -5.673 764 HG2 LYS 116 2HG LYS 116 5.427 9.852 -7.668 765 HG3 LYS 116 1HG LYS 116 5.017 11.544 -7.386 766 HD2 LYS 116 2HD LYS 116 7.468 10.681 -6.035 767 HD3 LYS 116 1HD LYS 116 7.546 10.562 -7.794 768 HE2 LYS 116 2HE LYS 116 6.500 12.970 -7.687 769 HE3 LYS 116 1HE LYS 116 7.183 12.971 -6.066 770 HZ1 LYS 116 3HZ LYS 116 8.621 12.700 -8.643 771 HZ2 LYS 116 1HZ LYS 116 9.348 12.338 -7.148 772 HZ3 LYS 116 2HZ LYS 116 8.798 13.906 -7.466 773 H ALA 117 H ALA 117 2.849 13.397 -5.994 774 HA ALA 117 HA ALA 117 5.162 15.057 -5.258 775 HB1 ALA 117 1HB ALA 117 3.257 15.606 -7.520 776 HB2 ALA 117 2HB ALA 117 4.808 16.377 -7.195 777 HB3 ALA 117 3HB ALA 117 4.753 14.694 -7.716 778 H GLU 118 H GLU 118 4.363 15.673 -3.256 779 HA GLU 118 HA GLU 118 2.415 17.831 -3.410 780 HB2 GLU 118 2HB GLU 118 2.028 15.304 -1.946 781 HB3 GLU 118 1HB GLU 118 1.792 16.746 -0.968 782 HG2 GLU 118 2HG GLU 118 0.423 16.264 -3.603 783 HG3 GLU 118 1HG GLU 118 -0.269 15.837 -2.040 Start of MODEL 13 1 H1 SER 1 1H SER 1 14.017 -11.506 20.527 2 H2 SER 1 2H SER 1 15.162 -10.278 20.337 3 H3 SER 1 3H SER 1 14.510 -11.055 18.970 4 HA SER 1 HA SER 1 12.673 -9.835 18.956 5 HB2 SER 1 2HB SER 1 12.418 -9.209 21.811 6 HB3 SER 1 1HB SER 1 11.241 -9.919 20.704 7 HG SER 1 HG SER 1 12.039 -11.317 22.461 8 H LEU 2 H LEU 2 15.457 -8.844 19.035 9 HA LEU 2 HA LEU 2 14.877 -6.076 19.834 10 HB2 LEU 2 2HB LEU 2 16.985 -7.837 20.752 11 HB3 LEU 2 1HB LEU 2 17.645 -6.394 20.007 12 HG LEU 2 HG LEU 2 15.478 -5.994 21.996 13 HD11 LEU 2 1HD1 LEU 2 17.564 -7.698 22.643 14 HD12 LEU 2 2HD1 LEU 2 18.065 -6.134 23.286 15 HD13 LEU 2 3HD1 LEU 2 16.519 -6.834 23.769 16 HD21 LEU 2 3HD2 LEU 2 16.209 -3.948 21.434 17 HD22 LEU 2 1HD2 LEU 2 17.514 -4.295 22.569 18 HD23 LEU 2 2HD2 LEU 2 17.758 -4.549 20.841 19 HA PRO 3 HA PRO 3 16.107 -5.517 15.545 20 HB2 PRO 3 2HB PRO 3 15.222 -2.778 15.865 21 HB3 PRO 3 1HB PRO 3 14.479 -4.066 14.914 22 HG2 PRO 3 2HG PRO 3 13.350 -2.993 17.159 23 HG3 PRO 3 1HG PRO 3 13.036 -4.640 16.591 24 HD2 PRO 3 2HD PRO 3 14.858 -3.703 18.770 25 HD3 PRO 3 1HD PRO 3 13.799 -5.131 18.716 26 H ALA 4 H ALA 4 17.943 -4.659 14.668 27 HA ALA 4 HA ALA 4 19.366 -2.547 16.063 28 HB1 ALA 4 1HB ALA 4 21.288 -3.737 16.619 29 HB2 ALA 4 2HB ALA 4 19.994 -4.851 17.054 30 HB3 ALA 4 3HB ALA 4 20.885 -5.080 15.548 31 H SER 5 H SER 5 21.293 -4.633 14.183 32 HA SER 5 HA SER 5 21.646 -2.704 12.116 33 HB2 SER 5 2HB SER 5 22.671 -5.292 11.406 34 HB3 SER 5 1HB SER 5 23.566 -3.855 11.909 35 HG SER 5 HG SER 5 23.852 -5.706 13.305 36 H ALA 6 H ALA 6 19.570 -5.366 12.626 37 HA ALA 6 HA ALA 6 18.500 -5.086 9.905 38 HB1 ALA 6 1HB ALA 6 18.343 -7.358 9.563 39 HB2 ALA 6 2HB ALA 6 19.846 -7.269 10.480 40 HB3 ALA 6 3HB ALA 6 18.346 -7.729 11.286 41 H ALA 7 H ALA 7 16.229 -6.155 9.849 42 HA ALA 7 HA ALA 7 14.052 -6.052 10.468 43 HB1 ALA 7 1HB ALA 7 13.719 -6.167 13.099 44 HB2 ALA 7 2HB ALA 7 14.189 -7.576 12.147 45 HB3 ALA 7 3HB ALA 7 15.413 -6.660 13.030 46 H LYS 8 H LYS 8 14.988 -3.696 9.756 47 HA LYS 8 HA LYS 8 13.585 -1.844 11.528 48 HB2 LYS 8 2HB LYS 8 15.403 -0.128 11.041 49 HB3 LYS 8 1HB LYS 8 15.809 -1.395 12.189 50 HG2 LYS 8 2HG LYS 8 17.133 -2.540 10.574 51 HG3 LYS 8 1HG LYS 8 16.565 -1.483 9.279 52 HD2 LYS 8 2HD LYS 8 17.857 -0.178 11.604 53 HD3 LYS 8 1HD LYS 8 18.902 -1.124 10.541 54 HE2 LYS 8 2HE LYS 8 18.831 0.428 8.939 55 HE3 LYS 8 1HE LYS 8 17.077 0.568 9.052 56 HZ1 LYS 8 3HZ LYS 8 19.123 2.007 10.645 57 HZ2 LYS 8 1HZ LYS 8 17.489 1.958 11.101 58 HZ3 LYS 8 2HZ LYS 8 17.942 2.666 9.629 59 H ASN 9 H ASN 9 12.717 -3.074 9.187 60 HA ASN 9 HA ASN 9 13.079 -1.348 6.922 61 HB2 ASN 9 2HB ASN 9 11.086 -2.844 6.082 62 HB3 ASN 9 1HB ASN 9 12.696 -3.533 6.255 63 HD21 ASN 9 1HD2 ASN 9 9.453 -3.589 7.323 64 HD22 ASN 9 2HD2 ASN 9 9.610 -4.901 8.437 65 H ALA 10 H ALA 10 12.423 0.590 8.180 66 HA ALA 10 HA ALA 10 9.583 0.895 8.674 67 HB1 ALA 10 1HB ALA 10 10.217 2.462 10.111 68 HB2 ALA 10 2HB ALA 10 11.891 2.070 9.717 69 HB3 ALA 10 3HB ALA 10 11.059 3.355 8.843 70 H LYS 11 H LYS 11 11.920 1.791 6.226 71 HA LYS 11 HA LYS 11 9.952 3.538 4.930 72 HB2 LYS 11 2HB LYS 11 12.893 3.403 4.955 73 HB3 LYS 11 1HB LYS 11 12.192 3.716 3.377 74 HG2 LYS 11 2HG LYS 11 10.967 5.631 4.328 75 HG3 LYS 11 1HG LYS 11 11.747 5.331 5.882 76 HD2 LYS 11 2HD LYS 11 13.719 5.452 3.798 77 HD3 LYS 11 1HD LYS 11 12.703 6.894 3.753 78 HE2 LYS 11 2HE LYS 11 13.094 6.959 6.308 79 HE3 LYS 11 1HE LYS 11 14.441 5.873 5.969 80 HZ1 LYS 11 3HZ LYS 11 14.406 8.137 4.221 81 HZ2 LYS 11 1HZ LYS 11 15.659 7.543 5.201 82 HZ3 LYS 11 2HZ LYS 11 14.501 8.595 5.855 83 H LEU 12 H LEU 12 9.352 3.235 2.780 84 HA LEU 12 HA LEU 12 9.231 0.486 1.944 85 HB2 LEU 12 2HB LEU 12 8.113 3.077 0.985 86 HB3 LEU 12 1HB LEU 12 8.165 1.735 -0.138 87 HG LEU 12 HG LEU 12 6.887 0.407 1.640 88 HD11 LEU 12 1HD1 LEU 12 5.836 1.496 3.384 89 HD12 LEU 12 2HD1 LEU 12 7.417 2.278 3.358 90 HD13 LEU 12 3HD1 LEU 12 6.021 3.085 2.641 91 HD21 LEU 12 3HD2 LEU 12 5.887 1.208 -0.439 92 HD22 LEU 12 1HD2 LEU 12 4.743 1.325 0.900 93 HD23 LEU 12 2HD2 LEU 12 5.565 2.773 0.312 94 H ALA 13 H ALA 13 11.718 0.597 1.941 95 HA ALA 13 HA ALA 13 13.639 0.293 0.771 96 HB1 ALA 13 1HB ALA 13 12.027 -0.618 -0.988 97 HB2 ALA 13 2HB ALA 13 12.223 0.938 -1.796 98 HB3 ALA 13 3HB ALA 13 13.623 -0.103 -1.537 99 H THR 14 H THR 14 11.753 3.113 0.314 100 HA THR 14 HA THR 14 13.926 4.876 0.649 101 HB THR 14 HB THR 14 14.619 4.850 -1.549 102 HG1 THR 14 1HG THR 14 12.722 6.474 -2.544 103 HG21 THR 14 3HG2 THR 14 12.595 4.755 -3.367 104 HG22 THR 14 1HG2 THR 14 11.946 3.750 -2.073 105 HG23 THR 14 2HG2 THR 14 13.500 3.350 -2.805 106 H SER 15 H SER 15 10.663 4.377 -0.584 107 HA SER 15 HA SER 15 8.685 5.441 -0.281 108 HB2 SER 15 2HB SER 15 10.179 6.425 2.148 109 HB3 SER 15 1HB SER 15 8.517 6.923 1.818 110 HG SER 15 HG SER 15 7.820 4.923 2.175 111 H ALA 16 H ALA 16 10.903 8.022 0.789 112 HA ALA 16 HA ALA 16 11.060 10.208 0.197 113 HB1 ALA 16 1HB ALA 16 11.750 10.572 -1.963 114 HB2 ALA 16 2HB ALA 16 11.949 8.824 -1.841 115 HB3 ALA 16 3HB ALA 16 10.533 9.496 -2.651 116 H ALA 17 H ALA 17 8.985 9.680 -2.562 117 HA ALA 17 HA ALA 17 7.195 11.742 -1.874 118 HB1 ALA 17 1HB ALA 17 5.757 10.376 -3.660 119 HB2 ALA 17 2HB ALA 17 7.120 11.398 -4.116 120 HB3 ALA 17 3HB ALA 17 7.336 9.652 -3.969 121 H PHE 18 H PHE 18 7.189 8.286 -1.282 122 HA PHE 18 HA PHE 18 4.521 8.095 -0.313 123 HB2 PHE 18 2HB PHE 18 6.044 6.173 -1.026 124 HB3 PHE 18 1HB PHE 18 6.831 6.339 0.539 125 HD1 PHE 18 1HD PHE 18 5.562 5.860 2.617 126 HD2 PHE 18 2HD PHE 18 3.933 5.126 -1.243 127 HE1 PHE 18 1HE PHE 18 3.855 4.407 3.622 128 HE2 PHE 18 2HE PHE 18 2.224 3.668 -0.245 129 HZ PHE 18 HZ PHE 18 2.182 3.309 2.192 130 H ALA 19 H ALA 19 7.591 8.952 1.117 131 HA ALA 19 HA ALA 19 6.739 8.907 3.823 132 HB1 ALA 19 1HB ALA 19 8.875 10.761 2.888 133 HB2 ALA 19 2HB ALA 19 8.794 9.783 4.352 134 HB3 ALA 19 3HB ALA 19 9.134 9.020 2.799 135 H LYS 20 H LYS 20 6.774 11.395 1.311 136 HA LYS 20 HA LYS 20 5.790 13.510 2.912 137 HB2 LYS 20 2HB LYS 20 5.299 13.052 -0.041 138 HB3 LYS 20 1HB LYS 20 5.139 14.576 0.820 139 HG2 LYS 20 2HG LYS 20 7.411 14.880 0.990 140 HG3 LYS 20 1HG LYS 20 7.759 13.156 0.836 141 HD2 LYS 20 2HD LYS 20 7.500 13.177 -1.467 142 HD3 LYS 20 1HD LYS 20 6.530 14.650 -1.445 143 HE2 LYS 20 2HE LYS 20 8.784 15.661 -0.463 144 HE3 LYS 20 1HE LYS 20 9.480 14.303 -1.351 145 HZ1 LYS 20 3HZ LYS 20 9.472 15.965 -2.915 146 HZ2 LYS 20 1HZ LYS 20 7.998 16.630 -2.383 147 HZ3 LYS 20 2HZ LYS 20 8.017 15.181 -3.262 148 H GLN 21 H GLN 21 4.260 10.945 1.091 149 HA GLN 21 HA GLN 21 1.579 11.630 1.449 150 HB2 GLN 21 2HB GLN 21 3.067 9.450 0.444 151 HB3 GLN 21 1HB GLN 21 1.963 8.784 1.638 152 HG2 GLN 21 2HG GLN 21 0.095 9.891 0.470 153 HG3 GLN 21 1HG GLN 21 1.230 10.449 -0.759 154 HE21 GLN 21 1HE2 GLN 21 -0.725 7.907 0.312 155 HE22 GLN 21 2HE2 GLN 21 -0.268 6.728 -0.858 156 H ALA 22 H ALA 22 3.829 9.855 3.514 157 HA ALA 22 HA ALA 22 1.899 9.190 5.513 158 HB1 ALA 22 1HB ALA 22 4.909 9.240 5.676 159 HB2 ALA 22 2HB ALA 22 3.822 8.502 6.853 160 HB3 ALA 22 3HB ALA 22 3.912 7.860 5.213 161 H GLU 23 H GLU 23 3.615 12.010 4.767 162 HA GLU 23 HA GLU 23 3.481 13.072 7.468 163 HB2 GLU 23 2HB GLU 23 5.487 13.685 6.441 164 HB3 GLU 23 1HB GLU 23 4.716 13.987 4.891 165 HG2 GLU 23 2HG GLU 23 4.454 16.133 5.356 166 HG3 GLU 23 1HG GLU 23 3.699 15.773 6.910 167 H GLY 24 H GLY 24 2.016 13.580 4.290 168 HA2 GLY 24 1HA GLY 24 0.501 15.873 5.115 169 HA3 GLY 24 2HA GLY 24 0.316 14.987 3.608 170 H THR 25 H THR 25 -0.056 12.439 5.096 171 HA THR 25 HA THR 25 -2.828 12.892 5.982 172 HB THR 25 HB THR 25 -2.290 10.139 5.279 173 HG1 THR 25 1HG THR 25 -0.777 10.982 3.800 174 HG21 THR 25 3HG2 THR 25 -4.251 12.277 4.629 175 HG22 THR 25 1HG2 THR 25 -4.518 10.632 5.199 176 HG23 THR 25 2HG2 THR 25 -4.129 10.923 3.505 177 H THR 26 H THR 26 -3.569 11.767 7.820 178 HA THR 26 HA THR 26 -1.405 11.054 9.636 179 HB THR 26 HB THR 26 -4.281 11.023 10.447 180 HG1 THR 26 1HG THR 26 -2.730 13.326 9.820 181 HG21 THR 26 3HG2 THR 26 -2.781 10.476 12.189 182 HG22 THR 26 1HG2 THR 26 -3.218 12.163 12.468 183 HG23 THR 26 2HG2 THR 26 -1.664 11.762 11.735 184 H CYS 27 H CYS 27 -0.800 9.061 8.839 185 HA CYS 27 HA CYS 27 -2.160 6.943 10.199 186 HB2 CYS 27 2HB CYS 27 -1.647 5.713 7.709 187 HB3 CYS 27 1HB CYS 27 -3.210 5.972 8.466 188 H ASN 28 H ASN 28 -0.670 5.541 10.968 189 HA ASN 28 HA ASN 28 2.110 6.046 10.122 190 HB2 ASN 28 2HB ASN 28 2.523 5.052 12.535 191 HB3 ASN 28 1HB ASN 28 2.107 6.749 12.321 192 HD21 ASN 28 1HD2 ASN 28 1.299 3.853 13.835 193 HD22 ASN 28 2HD2 ASN 28 -0.240 4.331 14.473 194 H VAL 29 H VAL 29 3.510 4.034 11.118 195 HA VAL 29 HA VAL 29 2.934 1.816 9.515 196 HB VAL 29 HB VAL 29 4.642 2.043 11.986 197 HG11 VAL 29 1HG1 VAL 29 3.601 -0.332 11.049 198 HG12 VAL 29 2HG1 VAL 29 5.181 -0.248 10.268 199 HG13 VAL 29 3HG1 VAL 29 5.060 -0.154 12.025 200 HG21 VAL 29 3HG2 VAL 29 5.290 1.872 9.046 201 HG22 VAL 29 1HG2 VAL 29 5.479 3.280 10.091 202 HG23 VAL 29 2HG2 VAL 29 6.485 1.852 10.341 203 H GLY 30 H GLY 30 1.369 0.391 9.663 204 HA2 GLY 30 1HA GLY 30 0.224 -1.310 10.988 205 HA3 GLY 30 2HA GLY 30 0.197 -0.148 12.313 206 H SER 31 H SER 31 -0.400 2.047 10.345 207 HA SER 31 HA SER 31 -3.184 1.328 9.705 208 HB2 SER 31 2HB SER 31 -3.217 4.067 10.224 209 HB3 SER 31 1HB SER 31 -3.830 2.797 11.282 210 HG SER 31 HG SER 31 -2.375 3.489 12.618 211 H ILE 32 H ILE 32 -0.342 2.032 8.354 212 HA ILE 32 HA ILE 32 -1.345 3.980 6.422 213 HB ILE 32 HB ILE 32 0.996 4.040 7.627 214 HG12 ILE 32 2HG1 ILE 32 0.823 4.649 4.682 215 HG13 ILE 32 1HG1 ILE 32 0.033 5.620 5.922 216 HG21 ILE 32 1HG2 ILE 32 1.434 2.092 5.410 217 HG22 ILE 32 2HG2 ILE 32 2.720 3.204 5.879 218 HG23 ILE 32 3HG2 ILE 32 2.054 2.075 7.060 219 HD11 ILE 32 3HD1 ILE 32 2.509 5.606 6.909 220 HD12 ILE 32 1HD1 ILE 32 2.883 5.420 5.196 221 HD13 ILE 32 2HD1 ILE 32 1.940 6.805 5.747 222 H ALA 33 H ALA 33 -1.870 3.487 4.378 223 HA ALA 33 HA ALA 33 -1.039 0.962 3.222 224 HB1 ALA 33 1HB ALA 33 -2.969 0.273 4.496 225 HB2 ALA 33 2HB ALA 33 -3.937 1.570 3.791 226 HB3 ALA 33 3HB ALA 33 -3.358 0.251 2.776 227 H CYS 34 H CYS 34 -1.982 0.688 1.004 228 HA CYS 34 HA CYS 34 -2.728 3.252 -0.258 229 HB2 CYS 34 2HB CYS 34 -1.215 0.987 -1.588 230 HB3 CYS 34 1HB CYS 34 -1.622 2.542 -2.305 231 H CYS 35 H CYS 35 -4.468 3.163 -1.653 232 HA CYS 35 HA CYS 35 -5.806 0.549 -1.846 233 HB2 CYS 35 2HB CYS 35 -6.814 3.233 -1.125 234 HB3 CYS 35 1HB CYS 35 -7.820 2.339 -2.260 235 H ASN 36 H ASN 36 -6.689 -0.017 -3.846 236 HA ASN 36 HA ASN 36 -6.123 1.848 -6.048 237 HB2 ASN 36 2HB ASN 36 -4.480 -0.205 -5.695 238 HB3 ASN 36 1HB ASN 36 -5.762 -1.073 -6.536 239 HD21 ASN 36 1HD2 ASN 36 -3.804 -1.290 -8.002 240 HD22 ASN 36 2HD2 ASN 36 -3.675 -0.101 -9.258 241 H SER 37 H SER 37 -7.326 1.466 -7.972 242 HA SER 37 HA SER 37 -10.038 1.049 -7.687 243 HB2 SER 37 2HB SER 37 -8.883 0.361 -10.312 244 HB3 SER 37 1HB SER 37 -10.099 1.568 -9.899 245 HG SER 37 HG SER 37 -7.422 1.872 -10.266 246 HA PRO 38 HA PRO 38 -10.650 -3.245 -7.115 247 HB2 PRO 38 2HB PRO 38 -12.942 -3.580 -8.661 248 HB3 PRO 38 1HB PRO 38 -12.906 -3.048 -6.978 249 HG2 PRO 38 2HG PRO 38 -13.156 -1.435 -9.475 250 HG3 PRO 38 1HG PRO 38 -13.918 -1.192 -7.892 251 HD2 PRO 38 2HD PRO 38 -11.833 0.298 -8.703 252 HD3 PRO 38 1HD PRO 38 -12.040 -0.169 -7.003 253 H ALA 39 H ALA 39 -10.944 -2.100 -10.467 254 HA ALA 39 HA ALA 39 -10.649 -4.637 -11.679 255 HB1 ALA 39 1HB ALA 39 -11.617 -2.832 -12.918 256 HB2 ALA 39 2HB ALA 39 -10.150 -1.867 -12.750 257 HB3 ALA 39 3HB ALA 39 -10.134 -3.330 -13.732 258 H GLU 40 H GLU 40 -8.376 -2.611 -10.154 259 HA GLU 40 HA GLU 40 -6.128 -3.894 -11.536 260 HB2 GLU 40 2HB GLU 40 -6.031 -1.584 -9.595 261 HB3 GLU 40 1HB GLU 40 -4.726 -2.157 -10.622 262 HG2 GLU 40 2HG GLU 40 -6.007 -1.486 -12.602 263 HG3 GLU 40 1HG GLU 40 -7.286 -0.879 -11.549 264 H THR 41 H THR 41 -7.447 -3.254 -8.307 265 HA THR 41 HA THR 41 -5.483 -4.757 -6.920 266 HB THR 41 HB THR 41 -7.413 -3.020 -6.136 267 HG1 THR 41 1HG THR 41 -5.869 -4.921 -4.743 268 HG21 THR 41 3HG2 THR 41 -8.389 -5.715 -5.193 269 HG22 THR 41 1HG2 THR 41 -9.210 -4.690 -6.370 270 HG23 THR 41 2HG2 THR 41 -9.016 -4.140 -4.704 271 H ASN 42 H ASN 42 -8.366 -5.619 -8.633 272 HA ASN 42 HA ASN 42 -8.240 -8.370 -7.603 273 HB2 ASN 42 2HB ASN 42 -10.410 -6.631 -8.514 274 HB3 ASN 42 1HB ASN 42 -10.453 -8.224 -9.259 275 HD21 ASN 42 1HD2 ASN 42 -9.875 -6.783 -6.083 276 HD22 ASN 42 2HD2 ASN 42 -10.832 -7.915 -5.197 277 H ASN 43 H ASN 43 -6.600 -6.882 -9.726 278 HA ASN 43 HA ASN 43 -7.262 -7.865 -12.274 279 HB2 ASN 43 2HB ASN 43 -5.582 -5.998 -11.513 280 HB3 ASN 43 1HB ASN 43 -4.415 -7.317 -11.538 281 HD21 ASN 43 1HD2 ASN 43 -6.681 -5.465 -13.474 282 HD22 ASN 43 2HD2 ASN 43 -5.932 -5.804 -15.000 283 H ASP 44 H ASP 44 -5.591 -9.374 -9.628 284 HA ASP 44 HA ASP 44 -5.094 -11.710 -11.350 285 HB2 ASP 44 2HB ASP 44 -2.996 -10.561 -10.546 286 HB3 ASP 44 1HB ASP 44 -3.472 -10.986 -8.903 287 H SER 45 H SER 45 -5.421 -13.752 -10.416 288 HA SER 45 HA SER 45 -7.682 -13.934 -8.747 289 HB2 SER 45 2HB SER 45 -6.328 -16.429 -8.802 290 HB3 SER 45 1HB SER 45 -7.710 -15.928 -9.779 291 HG SER 45 HG SER 45 -4.984 -15.982 -10.414 292 H LEU 46 H LEU 46 -4.223 -14.210 -8.146 293 HA LEU 46 HA LEU 46 -4.724 -14.992 -5.379 294 HB2 LEU 46 2HB LEU 46 -2.828 -15.854 -7.008 295 HB3 LEU 46 1HB LEU 46 -1.991 -14.428 -6.422 296 HG LEU 46 HG LEU 46 -2.817 -15.523 -4.076 297 HD11 LEU 46 1HD1 LEU 46 -3.374 -17.659 -4.281 298 HD12 LEU 46 2HD1 LEU 46 -3.118 -17.586 -6.024 299 HD13 LEU 46 3HD1 LEU 46 -1.779 -17.999 -4.950 300 HD21 LEU 46 3HD2 LEU 46 -0.322 -15.680 -5.679 301 HD22 LEU 46 1HD2 LEU 46 -0.631 -14.874 -4.144 302 HD23 LEU 46 2HD2 LEU 46 -0.430 -16.626 -4.193 303 H LEU 47 H LEU 47 -4.260 -12.214 -7.239 304 HA LEU 47 HA LEU 47 -2.821 -10.552 -5.499 305 HB2 LEU 47 2HB LEU 47 -3.923 -10.281 -7.978 306 HB3 LEU 47 1HB LEU 47 -4.969 -9.250 -7.021 307 HG LEU 47 HG LEU 47 -3.070 -7.918 -6.307 308 HD11 LEU 47 1HD1 LEU 47 -1.584 -10.204 -7.013 309 HD12 LEU 47 2HD1 LEU 47 -1.056 -8.906 -8.084 310 HD13 LEU 47 3HD1 LEU 47 -0.984 -8.688 -6.335 311 HD21 LEU 47 3HD2 LEU 47 -3.540 -6.765 -8.151 312 HD22 LEU 47 1HD2 LEU 47 -2.260 -7.663 -8.969 313 HD23 LEU 47 2HD2 LEU 47 -3.926 -8.240 -9.035 314 H SER 48 H SER 48 -6.261 -11.273 -5.720 315 HA SER 48 HA SER 48 -7.124 -9.293 -3.910 316 HB2 SER 48 2HB SER 48 -8.958 -11.444 -3.865 317 HB3 SER 48 1HB SER 48 -9.053 -9.962 -4.824 318 HG SER 48 HG SER 48 -8.717 -11.163 -6.500 319 H GLY 49 H GLY 49 -5.921 -12.546 -3.503 320 HA2 GLY 49 1HA GLY 49 -6.633 -12.657 -0.693 321 HA3 GLY 49 2HA GLY 49 -5.710 -13.857 -1.587 322 H LEU 50 H LEU 50 -3.877 -11.853 -2.657 323 HA LEU 50 HA LEU 50 -1.894 -11.898 -0.633 324 HB2 LEU 50 2HB LEU 50 -2.079 -11.317 -3.410 325 HB3 LEU 50 1HB LEU 50 -1.283 -9.960 -2.636 326 HG LEU 50 HG LEU 50 0.553 -11.219 -1.996 327 HD11 LEU 50 1HD1 LEU 50 -1.304 -13.193 -1.385 328 HD12 LEU 50 2HD1 LEU 50 -0.264 -13.924 -2.608 329 HD13 LEU 50 3HD1 LEU 50 0.441 -13.266 -1.133 330 HD21 LEU 50 3HD2 LEU 50 1.159 -11.286 -4.139 331 HD22 LEU 50 1HD2 LEU 50 0.640 -12.970 -4.127 332 HD23 LEU 50 2HD2 LEU 50 -0.469 -11.711 -4.669 333 H LEU 51 H LEU 51 -4.382 -9.707 -1.432 334 HA LEU 51 HA LEU 51 -3.396 -7.256 -0.578 335 HB2 LEU 51 2HB LEU 51 -6.014 -8.453 -1.044 336 HB3 LEU 51 1HB LEU 51 -6.042 -7.262 0.239 337 HG LEU 51 HG LEU 51 -6.354 -5.747 -1.363 338 HD11 LEU 51 1HD1 LEU 51 -3.619 -6.028 -1.042 339 HD12 LEU 51 2HD1 LEU 51 -3.853 -5.933 -2.787 340 HD13 LEU 51 3HD1 LEU 51 -4.468 -4.650 -1.742 341 HD21 LEU 51 3HD2 LEU 51 -5.642 -6.414 -3.829 342 HD22 LEU 51 1HD2 LEU 51 -5.712 -8.034 -3.130 343 HD23 LEU 51 2HD2 LEU 51 -7.137 -6.992 -3.090 344 H GLY 52 H GLY 52 -4.505 -10.001 1.263 345 HA2 GLY 52 1HA GLY 52 -3.735 -8.580 3.716 346 HA3 GLY 52 2HA GLY 52 -5.284 -9.411 3.645 347 H ALA 53 H ALA 53 -1.891 -9.732 4.052 348 HA ALA 53 HA ALA 53 -1.780 -12.583 3.878 349 HB1 ALA 53 1HB ALA 53 0.162 -10.849 5.387 350 HB2 ALA 53 2HB ALA 53 0.459 -12.400 4.602 351 HB3 ALA 53 3HB ALA 53 0.167 -10.956 3.629 352 H GLY 54 H GLY 54 -3.921 -12.313 5.319 353 HA2 GLY 54 1HA GLY 54 -3.658 -13.760 7.610 354 HA3 GLY 54 2HA GLY 54 -3.485 -12.095 8.152 355 H LEU 55 H LEU 55 -5.311 -11.159 8.793 356 HA LEU 55 HA LEU 55 -7.839 -12.157 7.651 357 HB2 LEU 55 2HB LEU 55 -6.963 -11.792 10.436 358 HB3 LEU 55 1HB LEU 55 -8.535 -11.099 10.089 359 HG LEU 55 HG LEU 55 -9.193 -13.364 9.155 360 HD11 LEU 55 1HD1 LEU 55 -6.483 -13.899 9.477 361 HD12 LEU 55 2HD1 LEU 55 -7.271 -14.790 10.778 362 HD13 LEU 55 3HD1 LEU 55 -7.755 -15.063 9.105 363 HD21 LEU 55 3HD2 LEU 55 -10.215 -13.010 11.149 364 HD22 LEU 55 1HD2 LEU 55 -9.152 -14.332 11.635 365 HD23 LEU 55 2HD2 LEU 55 -8.705 -12.664 11.991 366 H LEU 56 H LEU 56 -6.811 -10.192 6.248 367 HA LEU 56 HA LEU 56 -7.500 -7.599 7.363 368 HB2 LEU 56 2HB LEU 56 -5.953 -8.578 5.036 369 HB3 LEU 56 1HB LEU 56 -6.714 -7.008 4.872 370 HG LEU 56 HG LEU 56 -4.709 -6.326 5.697 371 HD11 LEU 56 1HD1 LEU 56 -4.966 -6.647 8.420 372 HD12 LEU 56 2HD1 LEU 56 -5.617 -5.318 7.461 373 HD13 LEU 56 3HD1 LEU 56 -6.632 -6.708 7.845 374 HD21 LEU 56 3HD2 LEU 56 -3.137 -7.619 6.791 375 HD22 LEU 56 1HD2 LEU 56 -4.356 -8.637 7.559 376 HD23 LEU 56 2HD2 LEU 56 -4.013 -8.817 5.838 377 H ASN 57 H ASN 57 -8.644 -6.026 5.934 378 HA ASN 57 HA ASN 57 -10.821 -7.260 4.417 379 HB2 ASN 57 2HB ASN 57 -11.422 -6.644 6.818 380 HB3 ASN 57 1HB ASN 57 -11.192 -4.967 6.347 381 HD21 ASN 57 1HD2 ASN 57 -13.410 -4.892 7.132 382 HD22 ASN 57 2HD2 ASN 57 -14.684 -5.217 6.016 383 H GLY 58 H GLY 58 -12.132 -5.147 3.482 384 HA2 GLY 58 1HA GLY 58 -10.032 -3.803 1.908 385 HA3 GLY 58 2HA GLY 58 -11.681 -4.076 1.374 386 H LEU 59 H LEU 59 -11.885 -1.876 0.814 387 HA LEU 59 HA LEU 59 -11.435 0.251 2.633 388 HB2 LEU 59 2HB LEU 59 -11.690 0.232 0.042 389 HB3 LEU 59 1HB LEU 59 -13.405 0.376 0.375 390 HG LEU 59 HG LEU 59 -13.121 2.511 1.395 391 HD11 LEU 59 1HD1 LEU 59 -10.254 1.725 1.470 392 HD12 LEU 59 2HD1 LEU 59 -10.667 3.436 1.356 393 HD13 LEU 59 3HD1 LEU 59 -11.256 2.475 2.712 394 HD21 LEU 59 3HD2 LEU 59 -13.226 2.862 -0.891 395 HD22 LEU 59 1HD2 LEU 59 -11.738 3.704 -0.458 396 HD23 LEU 59 2HD2 LEU 59 -11.662 2.099 -1.185 397 H SER 60 H SER 60 -12.828 1.393 3.927 398 HA SER 60 HA SER 60 -14.860 0.008 5.247 399 HB2 SER 60 2HB SER 60 -14.128 2.934 5.146 400 HB3 SER 60 1HB SER 60 -15.426 2.326 6.170 401 HG SER 60 HG SER 60 -13.755 2.159 7.498 402 H GLY 61 H GLY 61 -16.431 -0.769 3.901 403 HA2 GLY 61 1HA GLY 61 -18.717 -0.456 3.330 404 HA3 GLY 61 2HA GLY 61 -18.379 1.242 3.029 405 H ASN 62 H ASN 62 -15.858 0.020 1.546 406 HA ASN 62 HA ASN 62 -17.303 -0.098 -1.004 407 HB2 ASN 62 2HB ASN 62 -15.360 1.555 -0.506 408 HB3 ASN 62 1HB ASN 62 -14.326 0.155 -0.782 409 HD21 ASN 62 1HD2 ASN 62 -16.264 2.570 -2.188 410 HD22 ASN 62 2HD2 ASN 62 -16.023 2.125 -3.848 411 H THR 63 H THR 63 -17.931 -2.237 -1.012 412 HA THR 63 HA THR 63 -16.094 -4.395 -0.683 413 HB THR 63 HB THR 63 -18.678 -4.703 -2.153 414 HG1 THR 63 1HG THR 63 -19.725 -3.805 -0.542 415 HG21 THR 63 3HG2 THR 63 -18.787 -6.762 -0.837 416 HG22 THR 63 1HG2 THR 63 -17.313 -6.300 0.015 417 HG23 THR 63 2HG2 THR 63 -17.260 -6.654 -1.709 418 H GLY 64 H GLY 64 -14.518 -3.397 -2.234 419 HA2 GLY 64 1HA GLY 64 -14.428 -4.891 -4.619 420 HA3 GLY 64 2HA GLY 64 -14.947 -3.253 -4.997 421 H SER 65 H SER 65 -13.528 -1.721 -3.316 422 HA SER 65 HA SER 65 -10.804 -2.079 -4.262 423 HB2 SER 65 2HB SER 65 -12.434 0.186 -3.275 424 HB3 SER 65 1HB SER 65 -10.720 0.246 -2.878 425 HG SER 65 HG SER 65 -10.236 0.087 -5.073 426 H ALA 66 H ALA 66 -9.142 -2.710 -3.005 427 HA ALA 66 HA ALA 66 -9.637 -2.983 -0.115 428 HB1 ALA 66 1HB ALA 66 -9.119 -5.142 -0.280 429 HB2 ALA 66 2HB ALA 66 -8.927 -4.960 -2.023 430 HB3 ALA 66 3HB ALA 66 -7.542 -4.728 -0.953 431 H CYS 67 H CYS 67 -7.572 -2.970 1.192 432 HA CYS 67 HA CYS 67 -5.599 -1.143 0.013 433 HB2 CYS 67 2HB CYS 67 -7.418 -0.667 2.207 434 HB3 CYS 67 1HB CYS 67 -5.752 -0.570 2.761 435 H ALA 68 H ALA 68 -3.571 -1.824 0.253 436 HA ALA 68 HA ALA 68 -3.051 -3.922 2.254 437 HB1 ALA 68 1HB ALA 68 -1.635 -4.975 0.846 438 HB2 ALA 68 2HB ALA 68 -2.612 -4.165 -0.377 439 HB3 ALA 68 3HB ALA 68 -1.064 -3.473 0.116 440 H LYS 69 H LYS 69 -1.129 -3.811 3.469 441 HA LYS 69 HA LYS 69 -0.425 -1.047 4.072 442 HB2 LYS 69 2HB LYS 69 -0.379 -3.626 5.570 443 HB3 LYS 69 1HB LYS 69 0.763 -2.377 6.043 444 HG2 LYS 69 2HG LYS 69 -1.235 -2.259 7.399 445 HG3 LYS 69 1HG LYS 69 -1.093 -0.818 6.392 446 HD2 LYS 69 2HD LYS 69 -3.358 -1.436 6.259 447 HD3 LYS 69 1HD LYS 69 -2.649 -2.014 4.747 448 HE2 LYS 69 2HE LYS 69 -2.752 -4.226 5.404 449 HE3 LYS 69 1HE LYS 69 -2.777 -3.821 7.125 450 HZ1 LYS 69 3HZ LYS 69 -5.001 -3.488 7.109 451 HZ2 LYS 69 1HZ LYS 69 -4.935 -4.560 5.801 452 HZ3 LYS 69 2HZ LYS 69 -5.033 -2.894 5.522 453 H ALA 70 H ALA 70 1.902 -0.692 4.804 454 HA ALA 70 HA ALA 70 3.605 -1.144 2.624 455 HB1 ALA 70 1HB ALA 70 3.718 0.683 4.421 456 HB2 ALA 70 2HB ALA 70 4.651 -0.494 5.348 457 HB3 ALA 70 3HB ALA 70 5.231 0.044 3.773 458 H SER 71 H SER 71 3.185 -2.884 5.643 459 HA SER 71 HA SER 71 5.421 -4.576 5.461 460 HB2 SER 71 2HB SER 71 3.174 -5.946 6.609 461 HB3 SER 71 1HB SER 71 4.568 -5.243 7.431 462 HG SER 71 HG SER 71 2.121 -4.427 7.629 463 H LEU 72 H LEU 72 2.064 -4.983 4.371 464 HA LEU 72 HA LEU 72 2.316 -7.460 3.131 465 HB2 LEU 72 2HB LEU 72 0.394 -5.343 3.247 466 HB3 LEU 72 1HB LEU 72 0.547 -5.878 1.586 467 HG LEU 72 HG LEU 72 -1.134 -7.244 2.321 468 HD11 LEU 72 1HD1 LEU 72 1.340 -8.784 3.089 469 HD12 LEU 72 2HD1 LEU 72 -0.236 -9.478 2.713 470 HD13 LEU 72 3HD1 LEU 72 0.678 -8.634 1.461 471 HD21 LEU 72 3HD2 LEU 72 0.015 -6.696 4.930 472 HD22 LEU 72 1HD2 LEU 72 -1.652 -7.054 4.482 473 HD23 LEU 72 2HD2 LEU 72 -0.512 -8.368 4.768 474 H ILE 73 H ILE 73 2.947 -4.211 1.920 475 HA ILE 73 HA ILE 73 3.419 -4.863 -0.758 476 HB ILE 73 HB ILE 73 4.407 -2.602 0.963 477 HG12 ILE 73 2HG1 ILE 73 2.685 -2.270 -1.438 478 HG13 ILE 73 1HG1 ILE 73 1.960 -3.043 -0.033 479 HG21 ILE 73 1HG2 ILE 73 5.135 -1.511 -1.155 480 HG22 ILE 73 2HG2 ILE 73 6.120 -2.900 -0.696 481 HG23 ILE 73 3HG2 ILE 73 4.917 -3.057 -1.977 482 HD11 ILE 73 3HD1 ILE 73 3.270 -0.788 0.962 483 HD12 ILE 73 1HD1 ILE 73 2.480 -0.266 -0.529 484 HD13 ILE 73 2HD1 ILE 73 1.535 -1.025 0.754 485 H ASP 74 H ASP 74 5.652 -4.581 1.979 486 HA ASP 74 HA ASP 74 7.988 -5.285 0.543 487 HB2 ASP 74 2HB ASP 74 8.497 -4.209 2.524 488 HB3 ASP 74 1HB ASP 74 7.247 -5.053 3.430 489 H GLN 75 H GLN 75 5.462 -7.140 2.005 490 HA GLN 75 HA GLN 75 6.876 -9.470 2.646 491 HB2 GLN 75 2HB GLN 75 4.198 -8.546 2.757 492 HB3 GLN 75 1HB GLN 75 4.183 -10.126 1.988 493 HG2 GLN 75 2HG GLN 75 3.967 -10.687 4.200 494 HG3 GLN 75 1HG GLN 75 5.716 -10.800 3.985 495 HE21 GLN 75 1HE2 GLN 75 6.938 -8.794 4.497 496 HE22 GLN 75 2HE2 GLN 75 6.408 -7.844 5.833 497 H LEU 76 H LEU 76 4.873 -8.769 -0.244 498 HA LEU 76 HA LEU 76 6.221 -11.015 -1.566 499 HB2 LEU 76 2HB LEU 76 3.243 -10.736 -1.782 500 HB3 LEU 76 1HB LEU 76 4.245 -12.121 -2.168 501 HG LEU 76 HG LEU 76 4.593 -11.630 0.589 502 HD11 LEU 76 1HD1 LEU 76 2.686 -10.850 1.386 503 HD12 LEU 76 2HD1 LEU 76 2.077 -10.660 -0.257 504 HD13 LEU 76 3HD1 LEU 76 1.806 -12.169 0.612 505 HD21 LEU 76 3HD2 LEU 76 2.939 -13.735 -0.805 506 HD22 LEU 76 1HD2 LEU 76 4.686 -13.801 -0.569 507 HD23 LEU 76 2HD2 LEU 76 3.608 -13.831 0.827 508 H GLY 77 H GLY 77 6.248 -8.031 -1.908 509 HA2 GLY 77 1HA GLY 77 6.406 -6.604 -3.718 510 HA3 GLY 77 2HA GLY 77 6.225 -8.019 -4.748 511 H LEU 78 H LEU 78 4.141 -6.369 -2.408 512 HA LEU 78 HA LEU 78 1.791 -7.013 -3.891 513 HB2 LEU 78 2HB LEU 78 2.444 -5.712 -1.327 514 HB3 LEU 78 1HB LEU 78 0.962 -5.163 -2.079 515 HG LEU 78 HG LEU 78 1.212 -7.313 -0.397 516 HD11 LEU 78 1HD1 LEU 78 -0.807 -6.111 -0.788 517 HD12 LEU 78 2HD1 LEU 78 -0.880 -6.677 -2.458 518 HD13 LEU 78 3HD1 LEU 78 -1.097 -7.817 -1.129 519 HD21 LEU 78 3HD2 LEU 78 2.134 -8.312 -2.776 520 HD22 LEU 78 1HD2 LEU 78 1.427 -9.264 -1.471 521 HD23 LEU 78 2HD2 LEU 78 0.422 -8.734 -2.819 522 H LEU 79 H LEU 79 2.609 -5.900 -5.912 523 HA LEU 79 HA LEU 79 2.315 -3.007 -5.915 524 HB2 LEU 79 2HB LEU 79 2.478 -3.788 -8.560 525 HB3 LEU 79 1HB LEU 79 3.807 -3.252 -7.553 526 HG LEU 79 HG LEU 79 3.553 -5.974 -6.991 527 HD11 LEU 79 1HD1 LEU 79 3.787 -5.876 -9.930 528 HD12 LEU 79 2HD1 LEU 79 3.147 -7.140 -8.881 529 HD13 LEU 79 3HD1 LEU 79 2.161 -5.726 -9.262 530 HD21 LEU 79 3HD2 LEU 79 5.646 -6.019 -8.538 531 HD22 LEU 79 1HD2 LEU 79 5.430 -4.268 -8.564 532 HD23 LEU 79 2HD2 LEU 79 5.683 -5.104 -7.031 533 H ALA 80 H ALA 80 0.043 -4.947 -5.388 534 HA ALA 80 HA ALA 80 -1.778 -4.838 -7.543 535 HB1 ALA 80 1HB ALA 80 -1.777 -6.190 -5.248 536 HB2 ALA 80 2HB ALA 80 -2.836 -4.863 -4.772 537 HB3 ALA 80 3HB ALA 80 -3.256 -5.873 -6.153 538 H LEU 81 H LEU 81 -0.880 -2.601 -5.073 539 HA LEU 81 HA LEU 81 -2.736 -0.620 -6.199 540 HB2 LEU 81 2HB LEU 81 -2.295 0.097 -3.528 541 HB3 LEU 81 1HB LEU 81 -3.796 -0.447 -4.259 542 HG LEU 81 HG LEU 81 -2.333 -2.777 -3.732 543 HD11 LEU 81 1HD1 LEU 81 -1.883 -0.665 -1.706 544 HD12 LEU 81 2HD1 LEU 81 -2.298 -2.276 -1.115 545 HD13 LEU 81 3HD1 LEU 81 -0.885 -2.052 -2.146 546 HD21 LEU 81 3HD2 LEU 81 -4.836 -2.028 -3.604 547 HD22 LEU 81 1HD2 LEU 81 -4.238 -3.380 -2.639 548 HD23 LEU 81 2HD2 LEU 81 -4.451 -1.792 -1.898 549 H VAL 82 H VAL 82 0.244 -1.384 -6.306 550 HA VAL 82 HA VAL 82 1.342 1.175 -5.358 551 HB VAL 82 HB VAL 82 2.627 -1.554 -5.454 552 HG11 VAL 82 1HG1 VAL 82 3.904 0.972 -5.797 553 HG12 VAL 82 2HG1 VAL 82 4.362 0.314 -4.225 554 HG13 VAL 82 3HG1 VAL 82 4.635 -0.631 -5.690 555 HG21 VAL 82 3HG2 VAL 82 2.741 -1.429 -3.116 556 HG22 VAL 82 1HG2 VAL 82 2.418 0.306 -3.109 557 HG23 VAL 82 2HG2 VAL 82 1.133 -0.829 -3.519 558 H ASP 83 H ASP 83 2.472 2.368 -6.713 559 HA ASP 83 HA ASP 83 3.085 1.297 -9.391 560 HB2 ASP 83 2HB ASP 83 1.264 3.101 -9.241 561 HB3 ASP 83 1HB ASP 83 2.535 4.215 -8.761 562 H HIS 84 H HIS 84 5.147 2.025 -10.273 563 HA HIS 84 HA HIS 84 6.945 2.813 -8.087 564 HB2 HIS 84 2HB HIS 84 7.194 0.494 -9.246 565 HB3 HIS 84 1HB HIS 84 7.958 1.420 -10.537 566 HD1 HIS 84 1HD HIS 84 10.037 2.981 -9.697 567 HD2 HIS 84 2HD HIS 84 8.872 -0.146 -7.204 568 HE1 HIS 84 1HE HIS 84 11.900 2.708 -8.037 569 HE2 HIS 84 2HE HIS 84 11.243 0.737 -6.607 570 H THR 85 H THR 85 7.569 4.800 -8.187 571 HA THR 85 HA THR 85 8.153 6.014 -10.801 572 HB THR 85 HB THR 85 8.217 8.155 -9.349 573 HG1 THR 85 1HG THR 85 7.379 8.036 -7.354 574 HG21 THR 85 3HG2 THR 85 6.099 8.593 -10.022 575 HG22 THR 85 1HG2 THR 85 5.448 7.130 -9.284 576 HG23 THR 85 2HG2 THR 85 6.265 7.041 -10.847 577 H GLU 86 H GLU 86 9.954 7.924 -10.160 578 HA GLU 86 HA GLU 86 12.343 6.422 -9.805 579 HB2 GLU 86 2HB GLU 86 11.815 8.733 -11.062 580 HB3 GLU 86 1HB GLU 86 12.413 9.382 -9.541 581 HG2 GLU 86 2HG GLU 86 14.389 9.259 -10.606 582 HG3 GLU 86 1HG GLU 86 14.338 7.595 -10.026 583 H GLU 87 H GLU 87 10.289 8.302 -7.737 584 HA GLU 87 HA GLU 87 12.060 8.575 -5.541 585 HB2 GLU 87 2HB GLU 87 9.076 8.348 -5.259 586 HB3 GLU 87 1HB GLU 87 10.200 9.286 -4.286 587 HG2 GLU 87 2HG GLU 87 9.271 10.955 -5.504 588 HG3 GLU 87 1HG GLU 87 10.606 10.529 -6.577 589 H GLY 88 H GLY 88 10.152 5.942 -6.722 590 HA2 GLY 88 1HA GLY 88 11.125 3.768 -5.872 591 HA3 GLY 88 2HA GLY 88 10.757 4.411 -4.279 592 HA PRO 89 HA PRO 89 7.029 1.968 -5.487 593 HB2 PRO 89 2HB PRO 89 7.124 0.981 -2.755 594 HB3 PRO 89 1HB PRO 89 7.220 0.069 -4.263 595 HG2 PRO 89 2HG PRO 89 9.319 0.357 -2.552 596 HG3 PRO 89 1HG PRO 89 9.505 0.121 -4.300 597 HD2 PRO 89 2HD PRO 89 9.685 2.644 -2.698 598 HD3 PRO 89 1HD PRO 89 10.674 2.107 -4.074 599 H VAL 90 H VAL 90 5.245 3.145 -5.381 600 HA VAL 90 HA VAL 90 4.523 4.479 -2.868 601 HB VAL 90 HB VAL 90 3.717 6.400 -4.474 602 HG11 VAL 90 1HG1 VAL 90 5.216 7.000 -2.809 603 HG12 VAL 90 2HG1 VAL 90 6.463 5.898 -3.398 604 HG13 VAL 90 3HG1 VAL 90 6.113 7.383 -4.281 605 HG21 VAL 90 3HG2 VAL 90 5.135 6.762 -6.393 606 HG22 VAL 90 1HG2 VAL 90 6.073 5.313 -6.023 607 HG23 VAL 90 2HG2 VAL 90 4.389 5.169 -6.531 608 H CYS 91 H CYS 91 2.147 5.256 -2.965 609 HA CYS 91 HA CYS 91 0.521 3.121 -3.892 610 HB2 CYS 91 2HB CYS 91 -0.508 5.866 -3.196 611 HB3 CYS 91 1HB CYS 91 -1.344 4.324 -3.050 612 H LYS 92 H LYS 92 -0.781 2.921 -5.630 613 HA LYS 92 HA LYS 92 0.049 4.320 -7.979 614 HB2 LYS 92 2HB LYS 92 -0.637 1.849 -7.721 615 HB3 LYS 92 1HB LYS 92 -2.291 2.439 -7.806 616 HG2 LYS 92 2HG LYS 92 -2.198 2.718 -10.012 617 HG3 LYS 92 1HG LYS 92 -0.597 3.456 -9.947 618 HD2 LYS 92 2HD LYS 92 0.493 1.432 -10.121 619 HD3 LYS 92 1HD LYS 92 -0.869 0.523 -9.465 620 HE2 LYS 92 2HE LYS 92 -1.073 -0.072 -11.648 621 HE3 LYS 92 1HE LYS 92 -2.031 1.411 -11.686 622 HZ1 LYS 92 3HZ LYS 92 -0.668 2.107 -13.269 623 HZ2 LYS 92 1HZ LYS 92 0.388 0.801 -13.045 624 HZ3 LYS 92 2HZ LYS 92 0.571 2.207 -12.112 625 H ASN 93 H ASN 93 -2.994 4.128 -6.152 626 HA ASN 93 HA ASN 93 -3.989 6.388 -7.750 627 HB2 ASN 93 2HB ASN 93 -5.058 3.681 -7.584 628 HB3 ASN 93 1HB ASN 93 -6.257 4.900 -7.180 629 HD21 ASN 93 1HD2 ASN 93 -5.083 3.113 -9.601 630 HD22 ASN 93 2HD2 ASN 93 -5.464 4.119 -10.951 631 H ILE 94 H ILE 94 -5.618 4.469 -5.263 632 HA ILE 94 HA ILE 94 -6.600 6.958 -4.155 633 HB ILE 94 HB ILE 94 -7.338 4.111 -3.456 634 HG12 ILE 94 2HG1 ILE 94 -9.235 5.807 -4.943 635 HG13 ILE 94 1HG1 ILE 94 -7.790 5.359 -5.844 636 HG21 ILE 94 1HG2 ILE 94 -7.943 6.526 -2.137 637 HG22 ILE 94 2HG2 ILE 94 -9.410 6.015 -2.973 638 HG23 ILE 94 3HG2 ILE 94 -8.616 4.923 -1.836 639 HD11 ILE 94 3HD1 ILE 94 -8.863 3.073 -4.488 640 HD12 ILE 94 1HD1 ILE 94 -10.106 3.855 -5.465 641 HD13 ILE 94 2HD1 ILE 94 -8.595 3.337 -6.211 642 H VAL 95 H VAL 95 -6.053 7.837 -2.271 643 HA VAL 95 HA VAL 95 -4.062 6.498 -0.602 644 HB VAL 95 HB VAL 95 -5.124 9.321 -0.350 645 HG11 VAL 95 1HG1 VAL 95 -3.841 7.987 1.552 646 HG12 VAL 95 2HG1 VAL 95 -2.439 8.510 0.618 647 HG13 VAL 95 3HG1 VAL 95 -3.568 9.704 1.260 648 HG21 VAL 95 3HG2 VAL 95 -3.153 8.152 -2.182 649 HG22 VAL 95 1HG2 VAL 95 -4.058 9.661 -2.293 650 HG23 VAL 95 2HG2 VAL 95 -2.595 9.582 -1.312 651 H ALA 96 H ALA 96 -4.607 5.503 1.235 652 HA ALA 96 HA ALA 96 -6.856 6.409 2.816 653 HB1 ALA 96 1HB ALA 96 -8.012 4.268 2.799 654 HB2 ALA 96 2HB ALA 96 -7.908 4.919 1.164 655 HB3 ALA 96 3HB ALA 96 -6.829 3.619 1.665 656 H CYS 97 H CYS 97 -6.830 5.543 4.949 657 HA CYS 97 HA CYS 97 -4.271 4.277 5.638 658 HB2 CYS 97 2HB CYS 97 -6.073 5.590 7.656 659 HB3 CYS 97 1HB CYS 97 -4.341 5.294 7.753 660 H CYS 98 H CYS 98 -4.256 2.268 6.366 661 HA CYS 98 HA CYS 98 -6.809 1.015 7.115 662 HB2 CYS 98 2HB CYS 98 -6.188 0.614 4.717 663 HB3 CYS 98 1HB CYS 98 -4.742 -0.208 5.284 664 HA PRO 99 HA PRO 99 -4.244 -0.456 10.453 665 HB2 PRO 99 2HB PRO 99 -6.486 -2.191 11.140 666 HB3 PRO 99 1HB PRO 99 -5.814 -0.829 12.037 667 HG2 PRO 99 2HG PRO 99 -8.242 -0.750 10.842 668 HG3 PRO 99 1HG PRO 99 -7.225 0.687 11.047 669 HD2 PRO 99 2HD PRO 99 -7.660 -1.002 8.618 670 HD3 PRO 99 1HD PRO 99 -7.502 0.761 8.751 671 H GLU 100 H GLU 100 -2.852 -2.138 10.641 672 HA GLU 100 HA GLU 100 -3.302 -4.519 9.031 673 HB2 GLU 100 2HB GLU 100 -1.032 -3.429 9.282 674 HB3 GLU 100 1HB GLU 100 -1.022 -4.000 10.944 675 HG2 GLU 100 2HG GLU 100 -0.620 -6.140 10.353 676 HG3 GLU 100 1HG GLU 100 -1.587 -6.027 8.885 677 H GLY 101 H GLY 101 -4.792 -5.838 9.854 678 HA2 GLY 101 1HA GLY 101 -4.372 -7.526 11.958 679 HA3 GLY 101 2HA GLY 101 -5.215 -6.147 12.665 680 H THR 102 H THR 102 -7.266 -5.545 11.758 681 HA THR 102 HA THR 102 -8.606 -7.350 9.944 682 HB THR 102 HB THR 102 -10.240 -6.976 12.358 683 HG1 THR 102 1HG THR 102 -7.776 -8.314 12.459 684 HG21 THR 102 3HG2 THR 102 -11.230 -8.376 10.834 685 HG22 THR 102 1HG2 THR 102 -10.398 -9.565 11.838 686 HG23 THR 102 2HG2 THR 102 -9.691 -9.057 10.303 687 H THR 103 H THR 103 -11.108 -6.610 10.095 688 HA THR 103 HA THR 103 -12.626 -5.059 9.574 689 HB THR 103 HB THR 103 -12.772 -3.020 10.810 690 HG1 THR 103 1HG THR 103 -10.008 -3.261 10.961 691 HG21 THR 103 3HG2 THR 103 -11.964 -3.978 13.167 692 HG22 THR 103 1HG2 THR 103 -11.860 -5.459 12.217 693 HG23 THR 103 2HG2 THR 103 -13.391 -4.589 12.331 694 H ASN 104 H ASN 104 -12.742 -2.531 8.861 695 HA ASN 104 HA ASN 104 -11.361 -2.788 6.310 696 HB2 ASN 104 2HB ASN 104 -13.152 -0.770 5.927 697 HB3 ASN 104 1HB ASN 104 -13.486 -2.472 5.636 698 HD21 ASN 104 1HD2 ASN 104 -14.205 0.286 7.490 699 HD22 ASN 104 2HD2 ASN 104 -15.396 -0.430 8.525 700 H CYS 105 H CYS 105 -11.054 -0.579 5.169 701 HA CYS 105 HA CYS 105 -9.397 1.044 6.983 702 HB2 CYS 105 2HB CYS 105 -8.915 1.169 4.071 703 HB3 CYS 105 1HB CYS 105 -7.767 1.074 5.403 704 H VAL 106 H VAL 106 -9.497 3.272 6.886 705 HA VAL 106 HA VAL 106 -11.868 4.368 5.618 706 HB VAL 106 HB VAL 106 -11.772 6.121 7.087 707 HG11 VAL 106 1HG1 VAL 106 -10.357 5.171 9.195 708 HG12 VAL 106 2HG1 VAL 106 -11.987 4.651 8.767 709 HG13 VAL 106 3HG1 VAL 106 -10.591 3.704 8.248 710 HG21 VAL 106 3HG2 VAL 106 -9.645 6.942 8.161 711 HG22 VAL 106 1HG2 VAL 106 -8.771 5.873 7.065 712 HG23 VAL 106 2HG2 VAL 106 -9.756 7.185 6.418 713 H ALA 107 H ALA 107 -11.888 5.930 4.031 714 HA ALA 107 HA ALA 107 -9.354 6.212 2.579 715 HB1 ALA 107 1HB ALA 107 -11.911 5.462 1.719 716 HB2 ALA 107 2HB ALA 107 -11.622 7.068 1.054 717 HB3 ALA 107 3HB ALA 107 -10.485 5.762 0.728 718 H VAL 108 H VAL 108 -8.388 8.113 2.538 719 HA VAL 108 HA VAL 108 -9.902 10.486 3.371 720 HB VAL 108 HB VAL 108 -7.002 10.809 3.019 721 HG11 VAL 108 1HG1 VAL 108 -8.887 11.381 5.298 722 HG12 VAL 108 2HG1 VAL 108 -7.214 11.932 5.180 723 HG13 VAL 108 3HG1 VAL 108 -8.417 12.509 4.027 724 HG21 VAL 108 3HG2 VAL 108 -6.181 9.352 4.557 725 HG22 VAL 108 1HG2 VAL 108 -7.671 9.340 5.502 726 HG23 VAL 108 2HG2 VAL 108 -7.558 8.387 4.022 727 H ASP 109 H ASP 109 -9.724 9.089 0.698 728 HA ASP 109 HA ASP 109 -8.485 10.954 -1.094 729 HB2 ASP 109 2HB ASP 109 -8.807 8.503 -1.569 730 HB3 ASP 109 1HB ASP 109 -10.531 8.816 -1.739 731 H ASN 110 H ASN 110 -9.630 12.779 -0.005 732 HA ASN 110 HA ASN 110 -12.123 13.382 -1.442 733 HB2 ASN 110 2HB ASN 110 -11.581 13.787 1.506 734 HB3 ASN 110 1HB ASN 110 -12.862 14.635 0.653 735 HD21 ASN 110 1HD2 ASN 110 -12.103 11.977 2.453 736 HD22 ASN 110 2HD2 ASN 110 -13.491 11.005 2.108 737 H ALA 111 H ALA 111 -9.207 14.075 -1.700 738 HA ALA 111 HA ALA 111 -9.351 16.970 -1.189 739 HB1 ALA 111 1HB ALA 111 -6.696 16.491 -1.508 740 HB2 ALA 111 2HB ALA 111 -7.530 16.551 0.044 741 HB3 ALA 111 3HB ALA 111 -7.232 14.998 -0.737 742 H GLY 112 H GLY 112 -7.966 18.288 -2.687 743 HA2 GLY 112 1HA GLY 112 -8.070 17.161 -5.428 744 HA3 GLY 112 2HA GLY 112 -8.530 18.820 -5.064 745 H ALA 113 H ALA 113 -5.814 16.928 -3.862 746 HA ALA 113 HA ALA 113 -4.008 19.062 -4.754 747 HB1 ALA 113 1HB ALA 113 -3.011 17.011 -2.881 748 HB2 ALA 113 2HB ALA 113 -2.803 18.763 -2.865 749 HB3 ALA 113 3HB ALA 113 -4.300 18.048 -2.269 750 H GLY 114 H GLY 114 -1.614 17.780 -4.697 751 HA2 GLY 114 1HA GLY 114 -1.720 16.108 -7.062 752 HA3 GLY 114 2HA GLY 114 -0.267 16.642 -6.218 753 H THR 115 H THR 115 -0.615 14.017 -7.147 754 HA THR 115 HA THR 115 -1.609 12.177 -5.311 755 HB THR 115 HB THR 115 0.572 10.881 -6.382 756 HG1 THR 115 1HG THR 115 -0.345 12.567 -8.471 757 HG21 THR 115 3HG2 THR 115 -1.291 10.579 -8.350 758 HG22 THR 115 1HG2 THR 115 -2.285 11.167 -7.018 759 HG23 THR 115 2HG2 THR 115 -1.310 9.711 -6.815 760 H LYS 116 H LYS 116 1.770 13.185 -5.731 761 HA LYS 116 HA LYS 116 2.209 13.546 -2.942 762 HB2 LYS 116 2HB LYS 116 4.028 11.781 -2.793 763 HB3 LYS 116 1HB LYS 116 2.376 11.181 -2.771 764 HG2 LYS 116 2HG LYS 116 2.696 10.862 -5.312 765 HG3 LYS 116 1HG LYS 116 4.418 10.999 -4.951 766 HD2 LYS 116 2HD LYS 116 4.446 8.859 -4.334 767 HD3 LYS 116 1HD LYS 116 3.289 9.223 -3.052 768 HE2 LYS 116 2HE LYS 116 2.302 7.517 -4.345 769 HE3 LYS 116 1HE LYS 116 1.476 9.006 -4.803 770 HZ1 LYS 116 3HZ LYS 116 2.937 7.211 -6.427 771 HZ2 LYS 116 1HZ LYS 116 3.637 8.753 -6.519 772 HZ3 LYS 116 2HZ LYS 116 2.001 8.539 -6.894 773 H ALA 117 H ALA 117 2.530 14.851 -5.565 774 HA ALA 117 HA ALA 117 5.447 15.011 -5.832 775 HB1 ALA 117 1HB ALA 117 4.411 16.389 -7.964 776 HB2 ALA 117 2HB ALA 117 4.914 14.696 -7.980 777 HB3 ALA 117 3HB ALA 117 3.221 15.109 -7.713 778 H GLU 118 H GLU 118 5.496 16.381 -3.909 779 HA GLU 118 HA GLU 118 5.472 19.153 -4.735 780 HB2 GLU 118 2HB GLU 118 3.314 18.259 -3.269 781 HB3 GLU 118 1HB GLU 118 4.392 18.879 -2.025 782 HG2 GLU 118 2HG GLU 118 4.356 21.041 -2.908 783 HG3 GLU 118 1HG GLU 118 3.716 20.492 -4.455 Start of MODEL 14 1 H1 SER 1 1H SER 1 30.731 -2.220 2.992 2 H2 SER 1 2H SER 1 29.526 -2.268 1.801 3 H3 SER 1 3H SER 1 29.213 -2.876 3.350 4 HA SER 1 HA SER 1 30.072 -0.145 3.343 5 HB2 SER 1 2HB SER 1 27.347 0.041 2.649 6 HB3 SER 1 1HB SER 1 28.726 0.580 1.692 7 HG SER 1 HG SER 1 27.188 -1.011 0.713 8 H LEU 2 H LEU 2 28.705 1.049 4.875 9 HA LEU 2 HA LEU 2 27.080 -0.678 6.623 10 HB2 LEU 2 2HB LEU 2 28.747 1.585 7.697 11 HB3 LEU 2 1HB LEU 2 27.974 0.289 8.585 12 HG LEU 2 HG LEU 2 30.077 -0.526 6.676 13 HD11 LEU 2 1HD1 LEU 2 31.662 0.829 7.433 14 HD12 LEU 2 2HD1 LEU 2 30.556 1.551 8.602 15 HD13 LEU 2 3HD1 LEU 2 31.464 0.100 9.027 16 HD21 LEU 2 3HD2 LEU 2 30.520 -1.613 9.185 17 HD22 LEU 2 1HD2 LEU 2 28.767 -1.483 9.075 18 HD23 LEU 2 2HD2 LEU 2 29.664 -2.374 7.848 19 HA PRO 3 HA PRO 3 24.076 2.576 6.051 20 HB2 PRO 3 2HB PRO 3 22.568 2.167 8.290 21 HB3 PRO 3 1HB PRO 3 22.463 1.155 6.845 22 HG2 PRO 3 2HG PRO 3 23.929 0.658 9.403 23 HG3 PRO 3 1HG PRO 3 22.979 -0.467 8.415 24 HD2 PRO 3 2HD PRO 3 25.683 -0.408 8.346 25 HD3 PRO 3 1HD PRO 3 24.702 -0.819 6.928 26 H ALA 4 H ALA 4 25.640 4.247 6.344 27 HA ALA 4 HA ALA 4 26.603 5.279 8.715 28 HB1 ALA 4 1HB ALA 4 27.412 6.049 6.584 29 HB2 ALA 4 2HB ALA 4 25.843 6.744 6.190 30 HB3 ALA 4 3HB ALA 4 26.806 7.431 7.495 31 H SER 5 H SER 5 23.632 6.162 7.012 32 HA SER 5 HA SER 5 22.361 6.771 9.551 33 HB2 SER 5 2HB SER 5 21.611 8.844 7.697 34 HB3 SER 5 1HB SER 5 22.287 9.003 9.316 35 HG SER 5 HG SER 5 24.107 9.542 8.439 36 H ALA 6 H ALA 6 22.082 6.638 6.023 37 HA ALA 6 HA ALA 6 19.800 4.899 6.224 38 HB1 ALA 6 1HB ALA 6 18.825 7.206 6.398 39 HB2 ALA 6 2HB ALA 6 19.432 7.511 4.767 40 HB3 ALA 6 3HB ALA 6 18.233 6.246 5.042 41 H ALA 7 H ALA 7 19.029 4.318 3.965 42 HA ALA 7 HA ALA 7 20.729 4.840 1.731 43 HB1 ALA 7 1HB ALA 7 21.323 2.535 3.404 44 HB2 ALA 7 2HB ALA 7 20.978 2.078 1.733 45 HB3 ALA 7 3HB ALA 7 22.258 3.243 2.086 46 H LYS 8 H LYS 8 18.838 2.034 2.805 47 HA LYS 8 HA LYS 8 16.501 2.803 1.357 48 HB2 LYS 8 2HB LYS 8 16.503 0.728 -0.103 49 HB3 LYS 8 1HB LYS 8 17.615 1.996 -0.597 50 HG2 LYS 8 2HG LYS 8 19.480 0.783 0.041 51 HG3 LYS 8 1HG LYS 8 18.560 -0.252 1.133 52 HD2 LYS 8 2HD LYS 8 17.632 -0.443 -1.611 53 HD3 LYS 8 1HD LYS 8 19.335 -0.869 -1.450 54 HE2 LYS 8 2HE LYS 8 18.408 -2.231 0.624 55 HE3 LYS 8 1HE LYS 8 16.923 -2.190 -0.324 56 HZ1 LYS 8 3HZ LYS 8 19.530 -3.123 -1.395 57 HZ2 LYS 8 1HZ LYS 8 18.005 -3.267 -2.126 58 HZ3 LYS 8 2HZ LYS 8 18.368 -4.159 -0.727 59 H ASN 9 H ASN 9 16.822 2.398 3.942 60 HA ASN 9 HA ASN 9 16.556 -0.411 4.618 61 HB2 ASN 9 2HB ASN 9 17.513 1.986 5.949 62 HB3 ASN 9 1HB ASN 9 16.433 1.048 6.977 63 HD21 ASN 9 1HD2 ASN 9 17.468 -0.258 8.231 64 HD22 ASN 9 2HD2 ASN 9 18.918 -1.122 7.863 65 H ALA 10 H ALA 10 14.620 -1.261 4.602 66 HA ALA 10 HA ALA 10 12.497 -1.742 5.187 67 HB1 ALA 10 1HB ALA 10 13.216 -1.297 7.453 68 HB2 ALA 10 2HB ALA 10 12.908 0.429 7.239 69 HB3 ALA 10 3HB ALA 10 11.565 -0.717 7.221 70 H LYS 11 H LYS 11 10.319 -0.324 5.934 71 HA LYS 11 HA LYS 11 8.542 0.727 5.023 72 HB2 LYS 11 2HB LYS 11 10.462 2.878 4.160 73 HB3 LYS 11 1HB LYS 11 8.785 3.041 4.648 74 HG2 LYS 11 2HG LYS 11 9.478 2.321 6.946 75 HG3 LYS 11 1HG LYS 11 11.150 2.445 6.399 76 HD2 LYS 11 2HD LYS 11 11.134 4.694 6.478 77 HD3 LYS 11 1HD LYS 11 9.497 4.798 5.821 78 HE2 LYS 11 2HE LYS 11 8.653 5.123 7.860 79 HE3 LYS 11 1HE LYS 11 9.412 3.644 8.442 80 HZ1 LYS 11 3HZ LYS 11 11.442 5.517 8.276 81 HZ2 LYS 11 1HZ LYS 11 10.709 4.921 9.686 82 HZ3 LYS 11 2HZ LYS 11 10.126 6.343 8.964 83 H LEU 12 H LEU 12 8.916 2.664 2.705 84 HA LEU 12 HA LEU 12 8.832 0.627 0.609 85 HB2 LEU 12 2HB LEU 12 8.092 3.554 0.494 86 HB3 LEU 12 1HB LEU 12 7.831 2.382 -0.780 87 HG LEU 12 HG LEU 12 6.385 1.150 1.032 88 HD11 LEU 12 1HD1 LEU 12 5.343 2.563 2.637 89 HD12 LEU 12 2HD1 LEU 12 7.085 2.745 2.837 90 HD13 LEU 12 3HD1 LEU 12 6.158 3.993 2.002 91 HD21 LEU 12 3HD2 LEU 12 5.344 3.691 -0.198 92 HD22 LEU 12 1HD2 LEU 12 5.614 2.199 -1.105 93 HD23 LEU 12 2HD2 LEU 12 4.434 2.236 0.209 94 H ALA 13 H ALA 13 11.293 0.833 1.460 95 HA ALA 13 HA ALA 13 13.451 1.335 1.028 96 HB1 ALA 13 1HB ALA 13 12.277 0.695 -1.380 97 HB2 ALA 13 2HB ALA 13 13.124 2.200 -1.730 98 HB3 ALA 13 3HB ALA 13 14.005 0.826 -1.068 99 H THR 14 H THR 14 12.887 3.177 2.456 100 HA THR 14 HA THR 14 13.462 5.281 3.098 101 HB THR 14 HB THR 14 14.099 5.870 0.199 102 HG1 THR 14 1HG THR 14 15.594 4.778 2.340 103 HG21 THR 14 3HG2 THR 14 13.776 7.921 1.430 104 HG22 THR 14 1HG2 THR 14 15.508 7.677 1.199 105 HG23 THR 14 2HG2 THR 14 14.767 7.324 2.760 106 H SER 15 H SER 15 11.498 5.004 0.155 107 HA SER 15 HA SER 15 9.481 5.913 -0.435 108 HB2 SER 15 2HB SER 15 8.752 6.598 2.353 109 HB3 SER 15 1HB SER 15 7.884 5.630 1.161 110 HG SER 15 HG SER 15 10.178 4.417 1.902 111 H ALA 16 H ALA 16 11.333 7.703 -0.906 112 HA ALA 16 HA ALA 16 11.343 10.117 0.491 113 HB1 ALA 16 1HB ALA 16 12.758 9.159 -1.567 114 HB2 ALA 16 2HB ALA 16 11.683 10.250 -2.446 115 HB3 ALA 16 3HB ALA 16 12.710 10.870 -1.152 116 H ALA 17 H ALA 17 9.605 9.381 -2.527 117 HA ALA 17 HA ALA 17 8.050 11.767 -2.401 118 HB1 ALA 17 1HB ALA 17 7.461 9.333 -4.067 119 HB2 ALA 17 2HB ALA 17 6.995 11.007 -4.377 120 HB3 ALA 17 3HB ALA 17 8.688 10.528 -4.489 121 H PHE 18 H PHE 18 7.775 8.708 -0.924 122 HA PHE 18 HA PHE 18 4.899 8.699 -0.704 123 HB2 PHE 18 2HB PHE 18 6.201 6.593 -0.750 124 HB3 PHE 18 1HB PHE 18 6.950 7.038 0.778 125 HD1 PHE 18 2HD PHE 18 3.689 6.269 -0.810 126 HD2 PHE 18 1HD PHE 18 5.930 6.521 2.796 127 HE1 PHE 18 2HE PHE 18 1.849 5.175 0.409 128 HE2 PHE 18 1HE PHE 18 4.102 5.431 4.020 129 HZ PHE 18 HZ PHE 18 2.054 4.756 2.825 130 H ALA 19 H ALA 19 7.639 9.604 1.314 131 HA ALA 19 HA ALA 19 6.169 10.158 3.658 132 HB1 ALA 19 1HB ALA 19 8.199 10.514 4.459 133 HB2 ALA 19 2HB ALA 19 8.853 10.346 2.828 134 HB3 ALA 19 3HB ALA 19 8.383 11.934 3.432 135 H LYS 20 H LYS 20 6.774 11.980 0.740 136 HA LYS 20 HA LYS 20 5.821 14.489 1.676 137 HB2 LYS 20 2HB LYS 20 5.903 13.385 -1.139 138 HB3 LYS 20 1HB LYS 20 5.686 15.079 -0.711 139 HG2 LYS 20 2HG LYS 20 7.898 15.239 0.129 140 HG3 LYS 20 1HG LYS 20 8.116 13.492 0.077 141 HD2 LYS 20 2HD LYS 20 8.296 13.459 -2.252 142 HD3 LYS 20 1HD LYS 20 7.561 15.057 -2.422 143 HE2 LYS 20 2HE LYS 20 9.504 16.154 -1.856 144 HE3 LYS 20 1HE LYS 20 10.113 14.806 -0.900 145 HZ1 LYS 20 3HZ LYS 20 11.437 14.890 -2.813 146 HZ2 LYS 20 1HZ LYS 20 10.115 15.100 -3.848 147 HZ3 LYS 20 2HZ LYS 20 10.376 13.602 -3.094 148 H GLN 21 H GLN 21 4.361 11.566 0.735 149 HA GLN 21 HA GLN 21 1.722 12.652 0.235 150 HB2 GLN 21 2HB GLN 21 3.083 10.323 -0.454 151 HB3 GLN 21 1HB GLN 21 1.926 9.785 0.751 152 HG2 GLN 21 2HG GLN 21 0.154 10.949 -0.624 153 HG3 GLN 21 1HG GLN 21 1.385 11.120 -1.876 154 HE21 GLN 21 1HE2 GLN 21 0.415 8.508 0.329 155 HE22 GLN 21 2HE2 GLN 21 0.225 7.312 -0.893 156 H ALA 22 H ALA 22 3.420 10.809 2.723 157 HA ALA 22 HA ALA 22 1.142 10.139 4.253 158 HB1 ALA 22 1HB ALA 22 2.791 8.672 4.721 159 HB2 ALA 22 2HB ALA 22 4.067 9.871 4.518 160 HB3 ALA 22 3HB ALA 22 3.136 9.821 6.015 161 H GLU 23 H GLU 23 2.996 13.033 4.123 162 HA GLU 23 HA GLU 23 2.617 13.818 6.836 163 HB2 GLU 23 2HB GLU 23 3.952 14.843 4.527 164 HB3 GLU 23 1HB GLU 23 2.975 16.122 5.240 165 HG2 GLU 23 2HG GLU 23 4.156 15.005 7.436 166 HG3 GLU 23 1HG GLU 23 5.417 14.854 6.212 167 H GLY 24 H GLY 24 0.609 13.901 4.058 168 HA2 GLY 24 1HA GLY 24 -1.109 15.956 5.263 169 HA3 GLY 24 2HA GLY 24 -1.193 15.398 3.600 170 H THR 25 H THR 25 -0.836 12.747 5.612 171 HA THR 25 HA THR 25 -3.752 12.317 5.572 172 HB THR 25 HB THR 25 -2.465 9.808 5.451 173 HG1 THR 25 1HG THR 25 -1.304 11.788 3.816 174 HG21 THR 25 3HG2 THR 25 -3.750 9.524 3.475 175 HG22 THR 25 1HG2 THR 25 -3.817 11.265 3.191 176 HG23 THR 25 2HG2 THR 25 -4.699 10.555 4.548 177 H THR 26 H THR 26 -4.668 11.629 7.414 178 HA THR 26 HA THR 26 -3.084 11.201 9.763 179 HB THR 26 HB THR 26 -5.870 10.332 9.943 180 HG1 THR 26 1HG THR 26 -6.363 12.808 9.720 181 HG21 THR 26 3HG2 THR 26 -4.701 10.869 11.939 182 HG22 THR 26 1HG2 THR 26 -5.851 12.185 11.684 183 HG23 THR 26 2HG2 THR 26 -4.147 12.410 11.285 184 H CYS 27 H CYS 27 -1.851 9.397 9.568 185 HA CYS 27 HA CYS 27 -3.210 6.841 9.718 186 HB2 CYS 27 2HB CYS 27 -2.348 7.616 7.237 187 HB3 CYS 27 1HB CYS 27 -0.934 6.762 7.842 188 H ASN 28 H ASN 28 -1.367 5.074 9.987 189 HA ASN 28 HA ASN 28 0.565 6.218 11.897 190 HB2 ASN 28 2HB ASN 28 -1.358 5.216 13.070 191 HB3 ASN 28 1HB ASN 28 -1.075 3.694 12.234 192 HD21 ASN 28 1HD2 ASN 28 -0.675 2.467 13.993 193 HD22 ASN 28 2HD2 ASN 28 0.695 2.677 15.032 194 H VAL 29 H VAL 29 2.448 4.838 12.317 195 HA VAL 29 HA VAL 29 3.554 3.781 9.938 196 HB VAL 29 HB VAL 29 5.033 4.741 11.572 197 HG11 VAL 29 1HG1 VAL 29 3.487 3.807 13.503 198 HG12 VAL 29 2HG1 VAL 29 4.712 2.539 13.530 199 HG13 VAL 29 3HG1 VAL 29 5.179 4.219 13.778 200 HG21 VAL 29 3HG2 VAL 29 6.697 3.358 11.037 201 HG22 VAL 29 1HG2 VAL 29 6.017 2.046 12.000 202 HG23 VAL 29 2HG2 VAL 29 5.467 2.302 10.342 203 H GLY 30 H GLY 30 3.264 1.864 9.047 204 HA2 GLY 30 1HA GLY 30 3.107 -0.516 9.081 205 HA3 GLY 30 2HA GLY 30 2.505 -0.418 10.731 206 H SER 31 H SER 31 0.592 1.583 10.351 207 HA SER 31 HA SER 31 -1.493 0.055 9.023 208 HB2 SER 31 2HB SER 31 -2.175 2.630 10.294 209 HB3 SER 31 1HB SER 31 -2.921 1.045 10.486 210 HG SER 31 HG SER 31 -1.440 0.496 11.987 211 H ILE 32 H ILE 32 0.676 2.337 8.075 212 HA ILE 32 HA ILE 32 -1.091 3.931 6.454 213 HB ILE 32 HB ILE 32 1.150 4.712 7.425 214 HG12 ILE 32 2HG1 ILE 32 1.210 5.353 4.545 215 HG13 ILE 32 1HG1 ILE 32 -0.347 5.579 5.339 216 HG21 ILE 32 1HG2 ILE 32 2.287 2.614 6.340 217 HG22 ILE 32 2HG2 ILE 32 2.422 3.686 4.944 218 HG23 ILE 32 3HG2 ILE 32 3.151 4.147 6.483 219 HD11 ILE 32 3HD1 ILE 32 2.182 6.726 6.468 220 HD12 ILE 32 1HD1 ILE 32 1.228 7.576 5.253 221 HD13 ILE 32 2HD1 ILE 32 0.512 7.177 6.813 222 H ALA 33 H ALA 33 -1.491 3.700 4.278 223 HA ALA 33 HA ALA 33 -0.494 1.255 3.034 224 HB1 ALA 33 1HB ALA 33 -3.030 1.526 4.355 225 HB2 ALA 33 2HB ALA 33 -3.240 1.125 2.648 226 HB3 ALA 33 3HB ALA 33 -2.253 0.091 3.681 227 H CYS 34 H CYS 34 -1.537 0.887 0.898 228 HA CYS 34 HA CYS 34 -2.158 3.416 -0.473 229 HB2 CYS 34 2HB CYS 34 0.093 2.428 -1.053 230 HB3 CYS 34 1HB CYS 34 -0.753 1.021 -1.688 231 H CYS 35 H CYS 35 -3.997 3.416 -1.640 232 HA CYS 35 HA CYS 35 -5.397 0.849 -1.967 233 HB2 CYS 35 2HB CYS 35 -6.327 2.805 -0.397 234 HB3 CYS 35 1HB CYS 35 -6.948 3.393 -1.934 235 H ASN 36 H ASN 36 -6.828 0.756 -3.860 236 HA ASN 36 HA ASN 36 -6.156 2.575 -6.022 237 HB2 ASN 36 2HB ASN 36 -4.486 0.508 -5.761 238 HB3 ASN 36 1HB ASN 36 -5.768 -0.308 -6.649 239 HD21 ASN 36 1HD2 ASN 36 -3.507 -0.266 -7.895 240 HD22 ASN 36 2HD2 ASN 36 -3.491 0.889 -9.187 241 H SER 37 H SER 37 -7.444 2.259 -7.900 242 HA SER 37 HA SER 37 -10.122 1.693 -7.538 243 HB2 SER 37 2HB SER 37 -9.206 1.135 -10.255 244 HB3 SER 37 1HB SER 37 -10.258 2.422 -9.664 245 HG SER 37 HG SER 37 -7.490 2.400 -10.053 246 HA PRO 38 HA PRO 38 -10.547 -2.580 -6.858 247 HB2 PRO 38 2HB PRO 38 -12.815 -2.392 -8.790 248 HB3 PRO 38 1HB PRO 38 -12.776 -3.089 -7.165 249 HG2 PRO 38 2HG PRO 38 -13.868 -0.700 -7.600 250 HG3 PRO 38 1HG PRO 38 -12.923 -1.022 -6.134 251 HD2 PRO 38 2HD PRO 38 -12.198 0.552 -8.553 252 HD3 PRO 38 1HD PRO 38 -11.701 0.778 -6.865 253 H ALA 39 H ALA 39 -11.025 -1.679 -10.285 254 HA ALA 39 HA ALA 39 -10.755 -4.273 -11.309 255 HB1 ALA 39 1HB ALA 39 -10.367 -1.591 -12.571 256 HB2 ALA 39 2HB ALA 39 -10.273 -3.107 -13.470 257 HB3 ALA 39 3HB ALA 39 -11.771 -2.658 -12.659 258 H GLU 40 H GLU 40 -8.343 -2.422 -9.908 259 HA GLU 40 HA GLU 40 -6.283 -3.788 -11.503 260 HB2 GLU 40 2HB GLU 40 -5.868 -1.513 -11.818 261 HB3 GLU 40 1HB GLU 40 -6.325 -1.098 -10.174 262 HG2 GLU 40 2HG GLU 40 -4.297 -1.571 -9.339 263 HG3 GLU 40 1HG GLU 40 -3.950 -2.825 -10.527 264 H THR 41 H THR 41 -7.211 -2.738 -8.261 265 HA THR 41 HA THR 41 -5.411 -4.219 -6.731 266 HB THR 41 HB THR 41 -8.315 -3.924 -6.019 267 HG1 THR 41 1HG THR 41 -7.586 -1.738 -5.280 268 HG21 THR 41 3HG2 THR 41 -7.603 -3.881 -3.814 269 HG22 THR 41 1HG2 THR 41 -5.979 -3.330 -4.234 270 HG23 THR 41 2HG2 THR 41 -6.451 -5.001 -4.543 271 H ASN 42 H ASN 42 -8.469 -5.049 -8.193 272 HA ASN 42 HA ASN 42 -8.530 -7.729 -7.090 273 HB2 ASN 42 2HB ASN 42 -10.759 -7.542 -7.433 274 HB3 ASN 42 1HB ASN 42 -10.424 -5.850 -7.665 275 HD21 ASN 42 1HD2 ASN 42 -9.521 -5.583 -10.085 276 HD22 ASN 42 2HD2 ASN 42 -10.639 -6.172 -11.256 277 H ASN 43 H ASN 43 -6.684 -6.586 -9.317 278 HA ASN 43 HA ASN 43 -7.282 -7.626 -11.805 279 HB2 ASN 43 2HB ASN 43 -5.198 -6.219 -10.833 280 HB3 ASN 43 1HB ASN 43 -4.431 -7.793 -11.007 281 HD21 ASN 43 1HD2 ASN 43 -4.640 -5.014 -12.471 282 HD22 ASN 43 2HD2 ASN 43 -4.637 -5.483 -14.134 283 H ASP 44 H ASP 44 -5.884 -9.301 -9.041 284 HA ASP 44 HA ASP 44 -5.993 -11.775 -10.626 285 HB2 ASP 44 2HB ASP 44 -3.704 -11.323 -9.929 286 HB3 ASP 44 1HB ASP 44 -4.225 -11.163 -8.247 287 H SER 45 H SER 45 -6.880 -13.598 -9.717 288 HA SER 45 HA SER 45 -9.070 -13.238 -7.990 289 HB2 SER 45 2HB SER 45 -8.183 -15.985 -8.057 290 HB3 SER 45 1HB SER 45 -9.613 -15.260 -8.790 291 HG SER 45 HG SER 45 -7.032 -15.613 -9.886 292 H LEU 46 H LEU 46 -5.783 -14.449 -7.429 293 HA LEU 46 HA LEU 46 -6.392 -15.080 -4.665 294 HB2 LEU 46 2HB LEU 46 -4.313 -15.744 -6.550 295 HB3 LEU 46 1HB LEU 46 -3.605 -15.159 -5.054 296 HG LEU 46 HG LEU 46 -5.233 -16.845 -3.921 297 HD11 LEU 46 1HD1 LEU 46 -5.463 -17.534 -6.773 298 HD12 LEU 46 2HD1 LEU 46 -5.182 -18.891 -5.682 299 HD13 LEU 46 3HD1 LEU 46 -6.569 -17.832 -5.434 300 HD21 LEU 46 3HD2 LEU 46 -3.516 -18.483 -3.887 301 HD22 LEU 46 1HD2 LEU 46 -2.892 -17.961 -5.451 302 HD23 LEU 46 2HD2 LEU 46 -2.718 -16.919 -4.041 303 H LEU 47 H LEU 47 -4.841 -12.562 -6.515 304 HA LEU 47 HA LEU 47 -3.651 -11.051 -4.521 305 HB2 LEU 47 2HB LEU 47 -4.441 -10.649 -7.209 306 HB3 LEU 47 1HB LEU 47 -5.068 -9.291 -6.295 307 HG LEU 47 HG LEU 47 -2.904 -8.735 -7.210 308 HD11 LEU 47 1HD1 LEU 47 -3.507 -8.704 -4.420 309 HD12 LEU 47 2HD1 LEU 47 -1.768 -8.893 -4.646 310 HD13 LEU 47 3HD1 LEU 47 -2.610 -7.530 -5.383 311 HD21 LEU 47 3HD2 LEU 47 -0.908 -9.958 -6.722 312 HD22 LEU 47 1HD2 LEU 47 -1.780 -11.047 -5.640 313 HD23 LEU 47 2HD2 LEU 47 -2.099 -11.083 -7.377 314 H SER 48 H SER 48 -7.023 -11.436 -5.316 315 HA SER 48 HA SER 48 -8.054 -9.307 -3.784 316 HB2 SER 48 2HB SER 48 -9.091 -11.058 -5.579 317 HB3 SER 48 1HB SER 48 -9.737 -11.716 -4.073 318 HG SER 48 HG SER 48 -9.915 -8.964 -4.681 319 H GLY 49 H GLY 49 -6.593 -12.203 -2.811 320 HA2 GLY 49 1HA GLY 49 -7.671 -11.810 -0.083 321 HA3 GLY 49 2HA GLY 49 -7.059 -13.346 -0.683 322 H LEU 50 H LEU 50 -5.049 -11.289 -2.053 323 HA LEU 50 HA LEU 50 -2.962 -11.859 -0.136 324 HB2 LEU 50 2HB LEU 50 -3.139 -11.564 -2.926 325 HB3 LEU 50 1HB LEU 50 -2.133 -10.238 -2.380 326 HG LEU 50 HG LEU 50 -0.684 -11.906 -1.208 327 HD11 LEU 50 1HD1 LEU 50 -1.279 -14.237 -2.610 328 HD12 LEU 50 2HD1 LEU 50 -1.492 -13.947 -0.885 329 HD13 LEU 50 3HD1 LEU 50 -2.827 -13.657 -1.998 330 HD21 LEU 50 3HD2 LEU 50 0.582 -11.820 -3.028 331 HD22 LEU 50 1HD2 LEU 50 -0.466 -12.966 -3.865 332 HD23 LEU 50 2HD2 LEU 50 -0.820 -11.237 -3.922 333 H LEU 51 H LEU 51 -4.969 -9.230 -0.989 334 HA LEU 51 HA LEU 51 -3.302 -7.061 -0.283 335 HB2 LEU 51 2HB LEU 51 -5.820 -6.131 0.202 336 HB3 LEU 51 1HB LEU 51 -5.035 -6.141 -1.366 337 HG LEU 51 HG LEU 51 -6.150 -8.639 -1.286 338 HD11 LEU 51 1HD1 LEU 51 -8.469 -7.064 -0.444 339 HD12 LEU 51 2HD1 LEU 51 -8.049 -8.745 -0.109 340 HD13 LEU 51 3HD1 LEU 51 -7.326 -7.452 0.845 341 HD21 LEU 51 3HD2 LEU 51 -7.179 -6.035 -2.383 342 HD22 LEU 51 1HD2 LEU 51 -6.257 -7.286 -3.220 343 HD23 LEU 51 2HD2 LEU 51 -7.929 -7.589 -2.747 344 H GLY 52 H GLY 52 -5.043 -9.342 1.598 345 HA2 GLY 52 1HA GLY 52 -4.356 -7.838 4.030 346 HA3 GLY 52 2HA GLY 52 -5.936 -8.597 3.855 347 H ALA 53 H ALA 53 -2.576 -9.084 4.442 348 HA ALA 53 HA ALA 53 -2.349 -11.831 4.023 349 HB1 ALA 53 1HB ALA 53 -0.268 -11.062 4.309 350 HB2 ALA 53 2HB ALA 53 -0.789 -9.745 5.364 351 HB3 ALA 53 3HB ALA 53 -0.555 -11.366 6.022 352 H GLY 54 H GLY 54 -3.623 -10.050 6.739 353 HA2 GLY 54 1HA GLY 54 -3.776 -12.484 8.360 354 HA3 GLY 54 2HA GLY 54 -4.113 -10.849 8.904 355 H LEU 55 H LEU 55 -5.434 -12.184 5.962 356 HA LEU 55 HA LEU 55 -7.562 -12.470 5.243 357 HB2 LEU 55 2HB LEU 55 -8.315 -13.095 8.101 358 HB3 LEU 55 1HB LEU 55 -9.130 -13.616 6.639 359 HG LEU 55 HG LEU 55 -6.395 -14.526 7.536 360 HD11 LEU 55 1HD1 LEU 55 -8.021 -16.722 7.406 361 HD12 LEU 55 2HD1 LEU 55 -7.573 -15.862 8.879 362 HD13 LEU 55 3HD1 LEU 55 -9.092 -15.488 8.067 363 HD21 LEU 55 3HD2 LEU 55 -6.780 -16.249 5.705 364 HD22 LEU 55 1HD2 LEU 55 -8.059 -15.185 5.116 365 HD23 LEU 55 2HD2 LEU 55 -6.392 -14.612 5.178 366 H LEU 56 H LEU 56 -6.998 -9.982 5.358 367 HA LEU 56 HA LEU 56 -8.628 -8.471 7.182 368 HB2 LEU 56 2HB LEU 56 -6.318 -7.892 6.033 369 HB3 LEU 56 1HB LEU 56 -7.369 -7.209 4.805 370 HG LEU 56 HG LEU 56 -8.458 -6.156 7.059 371 HD11 LEU 56 1HD1 LEU 56 -5.503 -6.467 7.509 372 HD12 LEU 56 2HD1 LEU 56 -6.498 -5.269 8.339 373 HD13 LEU 56 3HD1 LEU 56 -6.822 -6.988 8.559 374 HD21 LEU 56 3HD2 LEU 56 -8.157 -4.501 5.583 375 HD22 LEU 56 1HD2 LEU 56 -6.589 -4.271 6.356 376 HD23 LEU 56 2HD2 LEU 56 -6.718 -5.256 4.901 377 H ASN 57 H ASN 57 -9.332 -6.346 5.477 378 HA ASN 57 HA ASN 57 -11.515 -7.484 3.900 379 HB2 ASN 57 2HB ASN 57 -12.003 -6.681 6.385 380 HB3 ASN 57 1HB ASN 57 -12.027 -5.097 5.619 381 HD21 ASN 57 1HD2 ASN 57 -14.154 -6.625 6.887 382 HD22 ASN 57 2HD2 ASN 57 -15.391 -6.802 5.699 383 H GLY 58 H GLY 58 -12.709 -5.287 3.038 384 HA2 GLY 58 1HA GLY 58 -10.591 -4.108 1.378 385 HA3 GLY 58 2HA GLY 58 -12.303 -4.158 0.977 386 H LEU 59 H LEU 59 -12.523 -1.957 0.598 387 HA LEU 59 HA LEU 59 -11.724 0.029 2.449 388 HB2 LEU 59 2HB LEU 59 -12.767 0.043 -0.090 389 HB3 LEU 59 1HB LEU 59 -14.127 0.611 0.859 390 HG LEU 59 HG LEU 59 -11.754 2.022 1.653 391 HD11 LEU 59 1HD1 LEU 59 -11.395 1.277 -0.892 392 HD12 LEU 59 2HD1 LEU 59 -12.349 2.740 -1.138 393 HD13 LEU 59 3HD1 LEU 59 -10.834 2.813 -0.238 394 HD21 LEU 59 3HD2 LEU 59 -14.503 2.480 1.179 395 HD22 LEU 59 1HD2 LEU 59 -13.325 3.561 1.929 396 HD23 LEU 59 2HD2 LEU 59 -13.599 3.627 0.188 397 H SER 60 H SER 60 -13.126 1.258 3.858 398 HA SER 60 HA SER 60 -14.625 -0.369 5.565 399 HB2 SER 60 2HB SER 60 -13.424 1.917 5.958 400 HB3 SER 60 1HB SER 60 -14.983 2.607 5.531 401 HG SER 60 HG SER 60 -14.990 0.523 7.381 402 H GLY 61 H GLY 61 -16.367 -1.403 4.782 403 HA2 GLY 61 1HA GLY 61 -18.709 -1.459 4.493 404 HA3 GLY 61 2HA GLY 61 -18.670 0.240 4.038 405 H ASN 62 H ASN 62 -16.205 -1.198 2.436 406 HA ASN 62 HA ASN 62 -17.846 -1.775 0.058 407 HB2 ASN 62 2HB ASN 62 -17.034 0.457 -0.230 408 HB3 ASN 62 1HB ASN 62 -15.430 0.007 0.318 409 HD21 ASN 62 1HD2 ASN 62 -15.203 1.326 -1.746 410 HD22 ASN 62 2HD2 ASN 62 -14.986 0.403 -3.192 411 H THR 63 H THR 63 -17.556 -3.951 0.099 412 HA THR 63 HA THR 63 -14.911 -5.093 0.433 413 HB THR 63 HB THR 63 -16.965 -6.958 -0.438 414 HG1 THR 63 1HG THR 63 -17.448 -5.574 2.008 415 HG21 THR 63 3HG2 THR 63 -14.697 -6.948 1.156 416 HG22 THR 63 1HG2 THR 63 -15.822 -8.292 0.944 417 HG23 THR 63 2HG2 THR 63 -16.022 -7.180 2.298 418 H GLY 64 H GLY 64 -14.223 -3.865 -1.521 419 HA2 GLY 64 1HA GLY 64 -13.989 -5.699 -3.710 420 HA3 GLY 64 2HA GLY 64 -14.978 -4.303 -4.124 421 H SER 65 H SER 65 -13.824 -2.228 -2.964 422 HA SER 65 HA SER 65 -11.204 -2.060 -4.212 423 HB2 SER 65 2HB SER 65 -12.300 0.246 -2.695 424 HB3 SER 65 1HB SER 65 -11.542 0.192 -4.289 425 HG SER 65 HG SER 65 -13.625 -0.983 -4.857 426 H ALA 66 H ALA 66 -10.203 -3.548 -2.725 427 HA ALA 66 HA ALA 66 -9.912 -2.721 0.037 428 HB1 ALA 66 1HB ALA 66 -9.665 -5.150 -1.403 429 HB2 ALA 66 2HB ALA 66 -8.117 -4.815 -0.629 430 HB3 ALA 66 3HB ALA 66 -9.589 -4.896 0.341 431 H CYS 67 H CYS 67 -7.659 -2.595 0.966 432 HA CYS 67 HA CYS 67 -5.787 -1.460 -0.998 433 HB2 CYS 67 2HB CYS 67 -5.857 -0.159 1.667 434 HB3 CYS 67 1HB CYS 67 -5.527 0.532 0.086 435 H ALA 68 H ALA 68 -3.573 -1.498 -0.360 436 HA ALA 68 HA ALA 68 -3.027 -3.547 1.682 437 HB1 ALA 68 1HB ALA 68 -2.352 -3.520 -1.079 438 HB2 ALA 68 2HB ALA 68 -0.867 -3.410 -0.137 439 HB3 ALA 68 3HB ALA 68 -1.988 -4.742 0.136 440 H LYS 69 H LYS 69 -1.417 -3.182 3.099 441 HA LYS 69 HA LYS 69 -0.585 -0.414 3.362 442 HB2 LYS 69 2HB LYS 69 0.454 -1.614 5.547 443 HB3 LYS 69 1HB LYS 69 -1.195 -1.010 5.469 444 HG2 LYS 69 2HG LYS 69 -0.668 -3.803 4.602 445 HG3 LYS 69 1HG LYS 69 -0.652 -3.437 6.329 446 HD2 LYS 69 2HD LYS 69 -2.884 -3.168 6.410 447 HD3 LYS 69 1HD LYS 69 -2.932 -2.289 4.874 448 HE2 LYS 69 2HE LYS 69 -3.527 -4.113 3.753 449 HE3 LYS 69 1HE LYS 69 -2.262 -5.083 4.507 450 HZ1 LYS 69 3HZ LYS 69 -3.749 -6.040 5.805 451 HZ2 LYS 69 1HZ LYS 69 -4.979 -5.221 4.970 452 HZ3 LYS 69 2HZ LYS 69 -4.311 -4.541 6.372 453 H ALA 70 H ALA 70 1.693 -0.009 4.115 454 HA ALA 70 HA ALA 70 3.492 -0.904 2.144 455 HB1 ALA 70 1HB ALA 70 3.586 0.886 4.437 456 HB2 ALA 70 2HB ALA 70 5.115 0.057 4.142 457 HB3 ALA 70 3HB ALA 70 4.370 1.017 2.863 458 H SER 71 H SER 71 2.660 -2.163 5.247 459 HA SER 71 HA SER 71 4.944 -3.806 5.652 460 HB2 SER 71 2HB SER 71 2.853 -5.032 6.974 461 HB3 SER 71 1HB SER 71 3.853 -3.735 7.640 462 HG SER 71 HG SER 71 1.877 -2.887 7.809 463 H LEU 72 H LEU 72 1.919 -4.084 3.955 464 HA LEU 72 HA LEU 72 2.081 -6.889 3.439 465 HB2 LEU 72 2HB LEU 72 0.170 -4.860 3.117 466 HB3 LEU 72 1HB LEU 72 0.519 -5.440 1.498 467 HG LEU 72 HG LEU 72 -1.304 -6.722 2.244 468 HD11 LEU 72 1HD1 LEU 72 -0.262 -8.472 1.345 469 HD12 LEU 72 2HD1 LEU 72 1.289 -7.982 2.027 470 HD13 LEU 72 3HD1 LEU 72 0.170 -8.943 2.990 471 HD21 LEU 72 3HD2 LEU 72 -1.196 -6.155 4.616 472 HD22 LEU 72 1HD2 LEU 72 -1.342 -7.901 4.401 473 HD23 LEU 72 2HD2 LEU 72 0.223 -7.188 4.802 474 H ILE 73 H ILE 73 3.151 -3.977 1.848 475 HA ILE 73 HA ILE 73 3.859 -5.176 -0.610 476 HB ILE 73 HB ILE 73 4.665 -2.629 0.760 477 HG12 ILE 73 2HG1 ILE 73 3.664 -2.565 -1.982 478 HG13 ILE 73 1HG1 ILE 73 2.554 -3.357 -0.869 479 HG21 ILE 73 1HG2 ILE 73 5.647 -2.434 -1.828 480 HG22 ILE 73 2HG2 ILE 73 6.600 -2.557 -0.348 481 HG23 ILE 73 3HG2 ILE 73 6.203 -4.012 -1.267 482 HD11 ILE 73 3HD1 ILE 73 2.176 -1.443 0.322 483 HD12 ILE 73 1HD1 ILE 73 3.723 -0.725 -0.125 484 HD13 ILE 73 2HD1 ILE 73 2.411 -0.794 -1.300 485 H ASP 74 H ASP 74 5.471 -4.737 2.457 486 HA ASP 74 HA ASP 74 8.009 -5.767 1.637 487 HB2 ASP 74 2HB ASP 74 8.043 -4.325 3.502 488 HB3 ASP 74 1HB ASP 74 6.731 -5.178 4.300 489 H GLN 75 H GLN 75 5.063 -7.143 2.884 490 HA GLN 75 HA GLN 75 6.267 -9.671 3.586 491 HB2 GLN 75 2HB GLN 75 3.908 -8.314 4.268 492 HB3 GLN 75 1HB GLN 75 3.390 -9.758 3.406 493 HG2 GLN 75 2HG GLN 75 3.499 -10.667 5.460 494 HG3 GLN 75 1HG GLN 75 5.205 -10.839 5.053 495 HE21 GLN 75 1HE2 GLN 75 5.715 -7.985 5.240 496 HE22 GLN 75 2HE2 GLN 75 5.722 -7.604 6.926 497 H LEU 76 H LEU 76 3.918 -8.569 1.136 498 HA LEU 76 HA LEU 76 4.200 -11.187 -0.171 499 HB2 LEU 76 2HB LEU 76 1.984 -9.264 0.147 500 HB3 LEU 76 1HB LEU 76 2.081 -10.056 -1.412 501 HG LEU 76 HG LEU 76 0.574 -11.309 -0.053 502 HD11 LEU 76 1HD1 LEU 76 2.230 -12.550 -1.470 503 HD12 LEU 76 2HD1 LEU 76 3.164 -12.832 -0.001 504 HD13 LEU 76 3HD1 LEU 76 1.530 -13.477 -0.142 505 HD21 LEU 76 3HD2 LEU 76 1.063 -10.666 2.157 506 HD22 LEU 76 1HD2 LEU 76 1.464 -12.383 2.091 507 HD23 LEU 76 2HD2 LEU 76 2.747 -11.176 2.022 508 H GLY 77 H GLY 77 4.059 -7.704 -0.878 509 HA2 GLY 77 1HA GLY 77 5.273 -6.558 -2.516 510 HA3 GLY 77 2HA GLY 77 5.908 -8.099 -3.071 511 H LEU 78 H LEU 78 2.609 -6.840 -2.776 512 HA LEU 78 HA LEU 78 1.862 -7.960 -5.309 513 HB2 LEU 78 2HB LEU 78 -0.155 -6.217 -4.517 514 HB3 LEU 78 1HB LEU 78 -0.097 -7.948 -4.245 515 HG LEU 78 HG LEU 78 1.348 -7.147 -2.131 516 HD11 LEU 78 1HD1 LEU 78 -0.705 -4.992 -2.189 517 HD12 LEU 78 2HD1 LEU 78 0.806 -5.087 -1.284 518 HD13 LEU 78 3HD1 LEU 78 0.833 -4.734 -3.012 519 HD21 LEU 78 3HD2 LEU 78 -1.188 -6.897 -1.134 520 HD22 LEU 78 1HD2 LEU 78 -1.448 -7.812 -2.622 521 HD23 LEU 78 2HD2 LEU 78 -0.335 -8.418 -1.396 522 H LEU 79 H LEU 79 2.602 -7.035 -7.094 523 HA LEU 79 HA LEU 79 3.357 -4.324 -7.308 524 HB2 LEU 79 2HB LEU 79 3.038 -5.113 -9.901 525 HB3 LEU 79 1HB LEU 79 4.484 -5.341 -8.940 526 HG LEU 79 HG LEU 79 3.206 -7.586 -8.256 527 HD11 LEU 79 1HD1 LEU 79 2.336 -7.195 -11.107 528 HD12 LEU 79 2HD1 LEU 79 1.948 -8.528 -10.017 529 HD13 LEU 79 3HD1 LEU 79 1.269 -6.925 -9.729 530 HD21 LEU 79 3HD2 LEU 79 5.145 -6.850 -10.331 531 HD22 LEU 79 1HD2 LEU 79 5.239 -8.081 -9.072 532 HD23 LEU 79 2HD2 LEU 79 4.367 -8.415 -10.567 533 H ALA 80 H ALA 80 0.311 -5.828 -7.578 534 HA ALA 80 HA ALA 80 -0.916 -4.064 -9.434 535 HB1 ALA 80 1HB ALA 80 -1.690 -6.395 -8.389 536 HB2 ALA 80 2HB ALA 80 -2.589 -5.311 -7.328 537 HB3 ALA 80 3HB ALA 80 -2.833 -5.240 -9.074 538 H LEU 81 H LEU 81 -0.051 -3.722 -6.113 539 HA LEU 81 HA LEU 81 -1.712 -1.297 -5.959 540 HB2 LEU 81 2HB LEU 81 -1.669 -3.582 -4.216 541 HB3 LEU 81 1HB LEU 81 -1.188 -2.144 -3.333 542 HG LEU 81 HG LEU 81 -3.732 -2.416 -4.932 543 HD11 LEU 81 1HD1 LEU 81 -3.898 -2.056 -2.038 544 HD12 LEU 81 2HD1 LEU 81 -4.805 -3.129 -3.107 545 HD13 LEU 81 3HD1 LEU 81 -3.204 -3.598 -2.534 546 HD21 LEU 81 3HD2 LEU 81 -3.993 -0.227 -4.697 547 HD22 LEU 81 1HD2 LEU 81 -3.663 -0.319 -2.968 548 HD23 LEU 81 2HD2 LEU 81 -2.333 -0.141 -4.113 549 H VAL 82 H VAL 82 1.053 -1.685 -6.818 550 HA VAL 82 HA VAL 82 2.143 0.402 -5.108 551 HB VAL 82 HB VAL 82 3.061 -1.957 -4.490 552 HG11 VAL 82 1HG1 VAL 82 4.262 -3.098 -5.966 553 HG12 VAL 82 2HG1 VAL 82 3.747 -1.938 -7.191 554 HG13 VAL 82 3HG1 VAL 82 5.263 -1.690 -6.326 555 HG21 VAL 82 3HG2 VAL 82 5.353 -0.182 -4.985 556 HG22 VAL 82 1HG2 VAL 82 3.992 0.559 -4.141 557 HG23 VAL 82 2HG2 VAL 82 4.760 -0.885 -3.480 558 H ASP 83 H ASP 83 3.455 1.844 -6.151 559 HA ASP 83 HA ASP 83 3.819 1.406 -9.038 560 HB2 ASP 83 2HB ASP 83 2.070 3.171 -8.280 561 HB3 ASP 83 1HB ASP 83 3.478 4.151 -7.860 562 H HIS 84 H HIS 84 5.553 3.056 -9.881 563 HA HIS 84 HA HIS 84 7.744 3.180 -7.953 564 HB2 HIS 84 2HB HIS 84 7.528 1.235 -10.055 565 HB3 HIS 84 1HB HIS 84 8.908 2.285 -10.363 566 HD1 HIS 84 1HD HIS 84 10.723 2.422 -8.412 567 HD2 HIS 84 2HD HIS 84 7.917 -0.637 -8.088 568 HE1 HIS 84 1HE HIS 84 11.625 0.849 -6.673 569 HE2 HIS 84 2HE HIS 84 9.984 -1.072 -6.591 570 H THR 85 H THR 85 7.206 5.441 -8.137 571 HA THR 85 HA THR 85 7.926 6.816 -10.554 572 HB THR 85 HB THR 85 6.301 7.615 -8.698 573 HG1 THR 85 1HG THR 85 7.767 8.917 -10.497 574 HG21 THR 85 3HG2 THR 85 8.414 9.208 -7.498 575 HG22 THR 85 1HG2 THR 85 8.584 7.490 -7.162 576 HG23 THR 85 2HG2 THR 85 7.092 8.324 -6.735 577 H GLU 86 H GLU 86 9.681 8.620 -10.277 578 HA GLU 86 HA GLU 86 12.134 7.381 -10.277 579 HB2 GLU 86 2HB GLU 86 11.576 10.292 -9.691 580 HB3 GLU 86 1HB GLU 86 13.114 9.627 -10.225 581 HG2 GLU 86 2HG GLU 86 12.326 10.317 -12.229 582 HG3 GLU 86 1HG GLU 86 11.601 8.712 -12.204 583 H GLU 87 H GLU 87 10.549 8.947 -7.542 584 HA GLU 87 HA GLU 87 12.931 8.645 -5.914 585 HB2 GLU 87 2HB GLU 87 10.433 10.193 -5.745 586 HB3 GLU 87 1HB GLU 87 11.034 9.597 -4.202 587 HG2 GLU 87 2HG GLU 87 13.203 10.634 -4.665 588 HG3 GLU 87 1HG GLU 87 12.567 11.253 -6.186 589 H GLY 88 H GLY 88 12.037 6.193 -6.692 590 HA2 GLY 88 1HA GLY 88 12.194 4.178 -5.536 591 HA3 GLY 88 2HA GLY 88 11.769 5.020 -4.054 592 HA PRO 89 HA PRO 89 8.103 2.388 -5.434 593 HB2 PRO 89 2HB PRO 89 8.345 1.498 -2.624 594 HB3 PRO 89 1HB PRO 89 8.118 0.545 -4.090 595 HG2 PRO 89 2HG PRO 89 10.458 0.561 -2.792 596 HG3 PRO 89 1HG PRO 89 10.378 0.480 -4.563 597 HD2 PRO 89 2HD PRO 89 10.986 2.821 -2.800 598 HD3 PRO 89 1HD PRO 89 11.738 2.336 -4.335 599 H VAL 90 H VAL 90 6.049 3.082 -5.027 600 HA VAL 90 HA VAL 90 5.523 4.817 -2.741 601 HB VAL 90 HB VAL 90 4.532 6.496 -4.505 602 HG11 VAL 90 1HG1 VAL 90 7.398 6.266 -3.642 603 HG12 VAL 90 2HG1 VAL 90 6.822 7.638 -4.585 604 HG13 VAL 90 3HG1 VAL 90 6.125 7.305 -2.999 605 HG21 VAL 90 3HG2 VAL 90 5.993 4.660 -6.161 606 HG22 VAL 90 1HG2 VAL 90 4.989 6.030 -6.630 607 HG23 VAL 90 2HG2 VAL 90 6.699 6.271 -6.281 608 H CYS 91 H CYS 91 3.192 5.653 -2.873 609 HA CYS 91 HA CYS 91 1.393 3.536 -3.402 610 HB2 CYS 91 2HB CYS 91 1.078 5.444 -1.743 611 HB3 CYS 91 1HB CYS 91 0.665 6.455 -3.124 612 H LYS 92 H LYS 92 -0.077 3.273 -5.046 613 HA LYS 92 HA LYS 92 0.838 4.187 -7.605 614 HB2 LYS 92 2HB LYS 92 -0.092 1.865 -6.936 615 HB3 LYS 92 1HB LYS 92 -1.671 2.614 -7.127 616 HG2 LYS 92 2HG LYS 92 -1.569 2.499 -9.348 617 HG3 LYS 92 1HG LYS 92 0.086 3.115 -9.389 618 HD2 LYS 92 2HD LYS 92 0.843 0.831 -8.678 619 HD3 LYS 92 1HD LYS 92 -0.813 0.278 -8.917 620 HE2 LYS 92 2HE LYS 92 -0.292 -0.090 -11.042 621 HE3 LYS 92 1HE LYS 92 -0.171 1.657 -11.247 622 HZ1 LYS 92 3HZ LYS 92 1.818 0.217 -11.905 623 HZ2 LYS 92 1HZ LYS 92 2.116 0.091 -10.240 624 HZ3 LYS 92 2HZ LYS 92 2.117 1.614 -10.986 625 H ASN 93 H ASN 93 -2.086 4.641 -5.632 626 HA ASN 93 HA ASN 93 -2.822 6.895 -7.341 627 HB2 ASN 93 2HB ASN 93 -4.210 4.316 -7.254 628 HB3 ASN 93 1HB ASN 93 -5.271 5.686 -6.957 629 HD21 ASN 93 1HD2 ASN 93 -4.434 3.699 -9.258 630 HD22 ASN 93 2HD2 ASN 93 -4.461 4.733 -10.651 631 H ILE 94 H ILE 94 -4.687 5.078 -4.934 632 HA ILE 94 HA ILE 94 -5.323 7.638 -3.667 633 HB ILE 94 HB ILE 94 -6.699 5.039 -3.055 634 HG12 ILE 94 2HG1 ILE 94 -7.829 6.822 -5.163 635 HG13 ILE 94 1HG1 ILE 94 -6.525 5.731 -5.622 636 HG21 ILE 94 1HG2 ILE 94 -7.733 7.864 -3.120 637 HG22 ILE 94 2HG2 ILE 94 -8.568 6.434 -2.513 638 HG23 ILE 94 3HG2 ILE 94 -7.140 7.040 -1.676 639 HD11 ILE 94 3HD1 ILE 94 -9.014 5.005 -5.853 640 HD12 ILE 94 1HD1 ILE 94 -7.798 3.857 -5.288 641 HD13 ILE 94 2HD1 ILE 94 -8.865 4.655 -4.129 642 H VAL 95 H VAL 95 -4.621 8.136 -1.680 643 HA VAL 95 HA VAL 95 -3.056 6.211 -0.202 644 HB VAL 95 HB VAL 95 -2.256 8.500 -0.309 645 HG11 VAL 95 1HG1 VAL 95 -3.757 10.046 1.361 646 HG12 VAL 95 2HG1 VAL 95 -3.803 10.107 -0.400 647 HG13 VAL 95 3HG1 VAL 95 -4.994 9.149 0.478 648 HG21 VAL 95 3HG2 VAL 95 -3.139 7.724 2.466 649 HG22 VAL 95 1HG2 VAL 95 -1.646 7.239 1.654 650 HG23 VAL 95 2HG2 VAL 95 -1.905 8.929 2.091 651 H ALA 96 H ALA 96 -3.610 5.241 1.748 652 HA ALA 96 HA ALA 96 -6.213 5.831 2.911 653 HB1 ALA 96 1HB ALA 96 -6.418 4.132 0.971 654 HB2 ALA 96 2HB ALA 96 -5.702 2.992 2.110 655 HB3 ALA 96 3HB ALA 96 -7.228 3.789 2.500 656 H CYS 97 H CYS 97 -6.633 4.588 4.875 657 HA CYS 97 HA CYS 97 -4.154 3.816 6.254 658 HB2 CYS 97 2HB CYS 97 -6.174 5.581 7.015 659 HB3 CYS 97 1HB CYS 97 -6.490 4.131 7.959 660 H CYS 98 H CYS 98 -3.870 1.732 6.703 661 HA CYS 98 HA CYS 98 -6.199 -0.070 6.646 662 HB2 CYS 98 2HB CYS 98 -3.628 -0.307 5.098 663 HB3 CYS 98 1HB CYS 98 -4.633 -1.707 5.447 664 HA PRO 99 HA PRO 99 -3.880 -1.765 10.112 665 HB2 PRO 99 2HB PRO 99 -5.833 -3.208 11.173 666 HB3 PRO 99 1HB PRO 99 -5.952 -1.440 11.191 667 HG2 PRO 99 2HG PRO 99 -7.251 -3.398 9.326 668 HG3 PRO 99 1HG PRO 99 -7.965 -1.997 10.154 669 HD2 PRO 99 2HD PRO 99 -7.040 -1.959 7.546 670 HD3 PRO 99 1HD PRO 99 -7.186 -0.522 8.577 671 H GLU 100 H GLU 100 -3.525 -4.112 10.844 672 HA GLU 100 HA GLU 100 -4.076 -6.049 8.705 673 HB2 GLU 100 2HB GLU 100 -1.537 -5.344 9.822 674 HB3 GLU 100 1HB GLU 100 -1.914 -6.995 10.300 675 HG2 GLU 100 2HG GLU 100 -1.469 -5.859 7.581 676 HG3 GLU 100 1HG GLU 100 -0.794 -7.309 8.319 677 H GLY 101 H GLY 101 -4.382 -8.251 9.488 678 HA2 GLY 101 1HA GLY 101 -4.888 -9.760 11.266 679 HA3 GLY 101 2HA GLY 101 -5.212 -8.383 12.306 680 H THR 102 H THR 102 -6.973 -6.921 10.711 681 HA THR 102 HA THR 102 -9.082 -8.421 9.624 682 HB THR 102 HB THR 102 -9.197 -9.243 11.982 683 HG1 THR 102 1HG THR 102 -11.146 -9.543 11.167 684 HG21 THR 102 3HG2 THR 102 -9.942 -6.380 12.523 685 HG22 THR 102 1HG2 THR 102 -8.631 -7.308 13.249 686 HG23 THR 102 2HG2 THR 102 -10.308 -7.706 13.629 687 H THR 103 H THR 103 -11.212 -7.171 9.710 688 HA THR 103 HA THR 103 -12.476 -5.353 9.307 689 HB THR 103 HB THR 103 -10.501 -3.472 10.560 690 HG1 THR 103 1HG THR 103 -10.933 -5.676 11.738 691 HG21 THR 103 3HG2 THR 103 -12.743 -2.773 11.671 692 HG22 THR 103 1HG2 THR 103 -13.489 -3.760 10.414 693 HG23 THR 103 2HG2 THR 103 -12.482 -2.383 9.972 694 H ASN 104 H ASN 104 -11.947 -2.763 8.640 695 HA ASN 104 HA ASN 104 -11.134 -3.371 5.893 696 HB2 ASN 104 2HB ASN 104 -12.726 -1.427 5.391 697 HB3 ASN 104 1HB ASN 104 -13.444 -2.938 5.932 698 HD21 ASN 104 1HD2 ASN 104 -11.829 -0.562 7.995 699 HD22 ASN 104 2HD2 ASN 104 -13.248 -0.113 8.877 700 H CYS 105 H CYS 105 -10.898 -1.157 4.661 701 HA CYS 105 HA CYS 105 -8.796 0.354 6.070 702 HB2 CYS 105 2HB CYS 105 -9.249 -0.317 3.162 703 HB3 CYS 105 1HB CYS 105 -8.091 0.902 3.678 704 H VAL 106 H VAL 106 -8.870 2.575 6.046 705 HA VAL 106 HA VAL 106 -11.270 3.837 4.922 706 HB VAL 106 HB VAL 106 -9.301 4.900 6.953 707 HG11 VAL 106 1HG1 VAL 106 -11.618 6.412 7.070 708 HG12 VAL 106 2HG1 VAL 106 -10.066 6.903 6.387 709 HG13 VAL 106 3HG1 VAL 106 -11.313 6.214 5.342 710 HG21 VAL 106 3HG2 VAL 106 -11.715 3.293 7.187 711 HG22 VAL 106 1HG2 VAL 106 -10.458 3.630 8.377 712 HG23 VAL 106 2HG2 VAL 106 -11.779 4.774 8.144 713 H ALA 107 H ALA 107 -10.940 4.628 2.939 714 HA ALA 107 HA ALA 107 -8.375 5.523 2.020 715 HB1 ALA 107 1HB ALA 107 -9.301 5.581 -0.036 716 HB2 ALA 107 2HB ALA 107 -10.596 4.660 0.732 717 HB3 ALA 107 3HB ALA 107 -10.755 6.404 0.531 718 H VAL 108 H VAL 108 -7.510 7.470 2.414 719 HA VAL 108 HA VAL 108 -9.226 9.365 3.825 720 HB VAL 108 HB VAL 108 -6.386 10.036 3.787 721 HG11 VAL 108 1HG1 VAL 108 -6.877 9.926 6.316 722 HG12 VAL 108 2HG1 VAL 108 -7.683 11.164 5.352 723 HG13 VAL 108 3HG1 VAL 108 -8.556 9.705 5.827 724 HG21 VAL 108 3HG2 VAL 108 -6.354 7.501 3.675 725 HG22 VAL 108 1HG2 VAL 108 -5.530 8.234 5.050 726 HG23 VAL 108 2HG2 VAL 108 -7.128 7.518 5.259 727 H ASP 109 H ASP 109 -8.797 9.030 0.798 728 HA ASP 109 HA ASP 109 -8.403 11.904 0.325 729 HB2 ASP 109 2HB ASP 109 -6.767 10.412 -0.886 730 HB3 ASP 109 1HB ASP 109 -8.134 9.754 -1.781 731 H ASN 110 H ASN 110 -10.311 12.755 0.426 732 HA ASN 110 HA ASN 110 -12.298 11.803 -1.515 733 HB2 ASN 110 2HB ASN 110 -13.616 13.285 0.553 734 HB3 ASN 110 1HB ASN 110 -13.878 11.617 0.067 735 HD21 ASN 110 1HD2 ASN 110 -13.060 9.978 1.293 736 HD22 ASN 110 2HD2 ASN 110 -12.289 10.219 2.820 737 H ALA 111 H ALA 111 -10.138 13.644 -1.786 738 HA ALA 111 HA ALA 111 -11.633 16.135 -2.269 739 HB1 ALA 111 1HB ALA 111 -9.716 17.444 -1.620 740 HB2 ALA 111 2HB ALA 111 -10.161 16.360 -0.300 741 HB3 ALA 111 3HB ALA 111 -8.776 15.981 -1.324 742 H GLY 112 H GLY 112 -8.907 14.075 -3.162 743 HA2 GLY 112 1HA GLY 112 -8.415 13.514 -5.403 744 HA3 GLY 112 2HA GLY 112 -9.235 14.975 -5.932 745 H ALA 113 H ALA 113 -6.288 13.682 -4.523 746 HA ALA 113 HA ALA 113 -4.899 16.212 -4.827 747 HB1 ALA 113 1HB ALA 113 -3.956 13.484 -3.959 748 HB2 ALA 113 2HB ALA 113 -2.938 14.922 -4.002 749 HB3 ALA 113 3HB ALA 113 -4.330 14.860 -2.922 750 H GLY 114 H GLY 114 -2.370 14.981 -5.620 751 HA2 GLY 114 1HA GLY 114 -2.917 14.621 -8.484 752 HA3 GLY 114 2HA GLY 114 -1.369 15.083 -7.785 753 H THR 115 H THR 115 0.117 13.536 -7.834 754 HA THR 115 HA THR 115 -0.740 10.731 -7.741 755 HB THR 115 HB THR 115 1.800 10.415 -8.304 756 HG1 THR 115 1HG THR 115 1.470 12.953 -9.511 757 HG21 THR 115 3HG2 THR 115 1.316 10.736 -10.736 758 HG22 THR 115 1HG2 THR 115 -0.209 11.496 -10.283 759 HG23 THR 115 2HG2 THR 115 0.087 9.806 -9.882 760 H LYS 116 H LYS 116 1.297 13.157 -6.295 761 HA LYS 116 HA LYS 116 1.119 11.927 -3.705 762 HB2 LYS 116 2HB LYS 116 3.667 11.919 -5.271 763 HB3 LYS 116 1HB LYS 116 3.764 12.284 -3.554 764 HG2 LYS 116 2HG LYS 116 3.104 10.184 -2.926 765 HG3 LYS 116 1HG LYS 116 2.208 9.916 -4.425 766 HD2 LYS 116 2HD LYS 116 5.144 10.220 -4.667 767 HD3 LYS 116 1HD LYS 116 4.567 8.742 -3.887 768 HE2 LYS 116 2HE LYS 116 4.095 9.725 -6.683 769 HE3 LYS 116 1HE LYS 116 4.693 8.158 -6.145 770 HZ1 LYS 116 3HZ LYS 116 1.915 9.054 -5.579 771 HZ2 LYS 116 1HZ LYS 116 2.545 7.478 -5.535 772 HZ3 LYS 116 2HZ LYS 116 2.328 8.259 -7.020 773 H ALA 117 H ALA 117 3.655 14.086 -4.833 774 HA ALA 117 HA ALA 117 2.173 16.362 -3.688 775 HB1 ALA 117 1HB ALA 117 4.062 17.201 -2.705 776 HB2 ALA 117 2HB ALA 117 4.420 15.477 -2.593 777 HB3 ALA 117 3HB ALA 117 5.146 16.447 -3.876 778 H GLU 118 H GLU 118 1.256 16.607 -5.817 779 HA GLU 118 HA GLU 118 3.160 17.598 -7.831 780 HB2 GLU 118 2HB GLU 118 0.929 15.754 -8.009 781 HB3 GLU 118 1HB GLU 118 0.714 17.112 -9.107 782 HG2 GLU 118 2HG GLU 118 2.968 16.668 -10.027 783 HG3 GLU 118 1HG GLU 118 3.073 15.247 -8.990 Start of MODEL 15 1 H1 SER 1 1H SER 1 18.147 -11.461 12.457 2 H2 SER 1 2H SER 1 16.896 -10.761 13.354 3 H3 SER 1 3H SER 1 16.836 -10.746 11.657 4 HA SER 1 HA SER 1 16.240 -12.898 11.476 5 HB2 SER 1 2HB SER 1 16.704 -14.203 13.896 6 HB3 SER 1 1HB SER 1 17.698 -14.311 12.443 7 HG SER 1 HG SER 1 19.193 -13.174 13.393 8 H LEU 2 H LEU 2 15.860 -13.100 14.942 9 HA LEU 2 HA LEU 2 13.043 -13.285 14.766 10 HB2 LEU 2 2HB LEU 2 15.081 -13.524 16.807 11 HB3 LEU 2 1HB LEU 2 13.677 -12.666 17.418 12 HG LEU 2 HG LEU 2 12.365 -14.692 16.348 13 HD11 LEU 2 1HD1 LEU 2 13.584 -16.765 16.417 14 HD12 LEU 2 2HD1 LEU 2 14.411 -15.653 15.327 15 HD13 LEU 2 3HD1 LEU 2 15.044 -15.933 16.948 16 HD21 LEU 2 3HD2 LEU 2 12.333 -14.131 18.710 17 HD22 LEU 2 1HD2 LEU 2 12.536 -15.870 18.501 18 HD23 LEU 2 2HD2 LEU 2 13.921 -14.866 18.925 19 HA PRO 3 HA PRO 3 11.939 -9.019 14.870 20 HB2 PRO 3 2HB PRO 3 9.388 -9.198 15.730 21 HB3 PRO 3 1HB PRO 3 9.884 -9.751 14.125 22 HG2 PRO 3 2HG PRO 3 9.402 -11.344 16.615 23 HG3 PRO 3 1HG PRO 3 8.924 -11.701 14.947 24 HD2 PRO 3 2HD PRO 3 11.102 -12.816 16.154 25 HD3 PRO 3 1HD PRO 3 10.989 -12.550 14.403 26 H ALA 4 H ALA 4 13.576 -9.152 16.862 27 HA ALA 4 HA ALA 4 12.358 -8.768 19.447 28 HB1 ALA 4 1HB ALA 4 15.197 -8.169 18.625 29 HB2 ALA 4 2HB ALA 4 14.588 -8.448 20.255 30 HB3 ALA 4 3HB ALA 4 14.628 -9.772 19.090 31 H SER 5 H SER 5 14.273 -6.687 17.285 32 HA SER 5 HA SER 5 13.075 -4.326 18.523 33 HB2 SER 5 2HB SER 5 14.939 -3.768 16.379 34 HB3 SER 5 1HB SER 5 15.045 -3.346 18.089 35 HG SER 5 HG SER 5 16.673 -4.707 17.956 36 H ALA 6 H ALA 6 12.352 -6.411 16.149 37 HA ALA 6 HA ALA 6 10.747 -6.463 14.559 38 HB1 ALA 6 1HB ALA 6 10.006 -3.647 14.494 39 HB2 ALA 6 2HB ALA 6 9.016 -5.079 14.778 40 HB3 ALA 6 3HB ALA 6 9.928 -4.361 16.106 41 H ALA 7 H ALA 7 12.747 -3.542 14.386 42 HA ALA 7 HA ALA 7 13.878 -2.548 12.689 43 HB1 ALA 7 1HB ALA 7 14.155 -4.386 10.651 44 HB2 ALA 7 2HB ALA 7 15.268 -4.150 11.997 45 HB3 ALA 7 3HB ALA 7 14.020 -5.390 12.093 46 H LYS 8 H LYS 8 11.286 -1.944 12.741 47 HA LYS 8 HA LYS 8 10.563 -1.755 9.900 48 HB2 LYS 8 2HB LYS 8 8.908 -2.634 12.212 49 HB3 LYS 8 1HB LYS 8 8.131 -1.589 11.032 50 HG2 LYS 8 2HG LYS 8 8.091 -3.185 9.441 51 HG3 LYS 8 1HG LYS 8 9.638 -3.875 9.937 52 HD2 LYS 8 2HD LYS 8 8.155 -4.532 12.076 53 HD3 LYS 8 1HD LYS 8 6.889 -4.506 10.846 54 HE2 LYS 8 2HE LYS 8 8.867 -5.871 9.573 55 HE3 LYS 8 1HE LYS 8 9.115 -6.383 11.239 56 HZ1 LYS 8 3HZ LYS 8 7.130 -7.205 9.403 57 HZ2 LYS 8 1HZ LYS 8 6.382 -6.514 10.764 58 HZ3 LYS 8 2HZ LYS 8 7.459 -7.810 10.951 59 H ASN 9 H ASN 9 10.818 0.213 9.309 60 HA ASN 9 HA ASN 9 10.107 2.371 11.170 61 HB2 ASN 9 2HB ASN 9 11.843 3.024 8.861 62 HB3 ASN 9 1HB ASN 9 11.929 3.582 10.531 63 HD21 ASN 9 1HD2 ASN 9 13.209 1.506 8.197 64 HD22 ASN 9 2HD2 ASN 9 14.299 0.635 9.228 65 H ALA 10 H ALA 10 10.021 4.447 9.457 66 HA ALA 10 HA ALA 10 7.572 3.803 8.001 67 HB1 ALA 10 1HB ALA 10 7.033 6.173 8.147 68 HB2 ALA 10 2HB ALA 10 7.418 5.525 9.742 69 HB3 ALA 10 3HB ALA 10 8.607 6.498 8.876 70 H LYS 11 H LYS 11 10.502 3.617 7.073 71 HA LYS 11 HA LYS 11 10.188 5.210 4.632 72 HB2 LYS 11 2HB LYS 11 12.763 3.918 5.517 73 HB3 LYS 11 1HB LYS 11 12.540 5.234 4.375 74 HG2 LYS 11 2HG LYS 11 11.662 6.550 6.415 75 HG3 LYS 11 1HG LYS 11 12.467 5.298 7.362 76 HD2 LYS 11 2HD LYS 11 14.035 6.523 5.171 77 HD3 LYS 11 1HD LYS 11 13.689 7.545 6.566 78 HE2 LYS 11 2HE LYS 11 14.897 6.218 8.009 79 HE3 LYS 11 1HE LYS 11 14.724 4.781 7.004 80 HZ1 LYS 11 3HZ LYS 11 16.244 5.802 5.394 81 HZ2 LYS 11 1HZ LYS 11 16.973 5.580 6.909 82 HZ3 LYS 11 2HZ LYS 11 16.463 7.124 6.436 83 H LEU 12 H LEU 12 9.083 3.857 3.273 84 HA LEU 12 HA LEU 12 9.661 1.051 3.153 85 HB2 LEU 12 2HB LEU 12 8.442 1.717 0.737 86 HB3 LEU 12 1HB LEU 12 7.675 1.035 2.153 87 HG LEU 12 HG LEU 12 7.932 4.017 1.789 88 HD11 LEU 12 1HD1 LEU 12 5.382 2.669 1.139 89 HD12 LEU 12 2HD1 LEU 12 6.101 4.133 0.460 90 HD13 LEU 12 3HD1 LEU 12 6.673 2.547 -0.059 91 HD21 LEU 12 3HD2 LEU 12 5.774 2.517 3.230 92 HD22 LEU 12 1HD2 LEU 12 7.311 2.864 4.019 93 HD23 LEU 12 2HD2 LEU 12 6.298 4.189 3.442 94 H ALA 13 H ALA 13 11.816 0.924 2.873 95 HA ALA 13 HA ALA 13 13.789 0.697 1.778 96 HB1 ALA 13 1HB ALA 13 12.086 0.448 -0.296 97 HB2 ALA 13 2HB ALA 13 12.958 1.902 -0.781 98 HB3 ALA 13 3HB ALA 13 13.842 0.411 -0.458 99 H THR 14 H THR 14 12.007 3.645 1.105 100 HA THR 14 HA THR 14 14.130 5.303 2.098 101 HB THR 14 HB THR 14 13.313 6.059 -0.677 102 HG1 THR 14 1HG THR 14 15.644 4.533 -0.430 103 HG21 THR 14 3HG2 THR 14 15.958 6.328 0.756 104 HG22 THR 14 1HG2 THR 14 14.665 7.525 0.852 105 HG23 THR 14 2HG2 THR 14 15.430 7.173 -0.699 106 H SER 15 H SER 15 11.054 5.015 0.388 107 HA SER 15 HA SER 15 9.065 6.098 0.583 108 HB2 SER 15 2HB SER 15 10.389 6.850 3.159 109 HB3 SER 15 1HB SER 15 8.960 7.767 2.672 110 HG SER 15 HG SER 15 8.339 5.997 3.917 111 H ALA 16 H ALA 16 11.374 8.559 1.737 112 HA ALA 16 HA ALA 16 11.732 10.713 1.107 113 HB1 ALA 16 1HB ALA 16 11.893 9.114 -1.406 114 HB2 ALA 16 2HB ALA 16 12.069 10.869 -1.478 115 HB3 ALA 16 3HB ALA 16 13.172 9.910 -0.488 116 H ALA 17 H ALA 17 10.052 10.178 -1.900 117 HA ALA 17 HA ALA 17 8.459 12.488 -1.661 118 HB1 ALA 17 1HB ALA 17 7.940 10.140 -3.474 119 HB2 ALA 17 2HB ALA 17 7.466 11.820 -3.718 120 HB3 ALA 17 3HB ALA 17 9.170 11.367 -3.787 121 H PHE 18 H PHE 18 7.891 9.129 -0.817 122 HA PHE 18 HA PHE 18 5.095 9.337 -0.430 123 HB2 PHE 18 2HB PHE 18 6.426 7.192 -0.622 124 HB3 PHE 18 1HB PHE 18 6.945 7.453 1.041 125 HD1 PHE 18 2HD PHE 18 3.665 7.761 -0.724 126 HD2 PHE 18 1HD PHE 18 5.870 6.035 2.483 127 HE1 PHE 18 2HE PHE 18 1.614 6.685 0.106 128 HE2 PHE 18 1HE PHE 18 3.824 4.954 3.317 129 HZ PHE 18 HZ PHE 18 1.690 5.279 2.124 130 H ALA 19 H ALA 19 7.843 10.232 1.493 131 HA ALA 19 HA ALA 19 6.417 10.526 3.956 132 HB1 ALA 19 1HB ALA 19 8.960 10.267 3.581 133 HB2 ALA 19 2HB ALA 19 8.935 12.010 3.325 134 HB3 ALA 19 3HB ALA 19 8.389 11.336 4.861 135 H LYS 20 H LYS 20 6.788 12.413 1.098 136 HA LYS 20 HA LYS 20 6.077 14.951 2.220 137 HB2 LYS 20 2HB LYS 20 6.353 13.791 -0.507 138 HB3 LYS 20 1HB LYS 20 5.280 15.174 -0.353 139 HG2 LYS 20 2HG LYS 20 6.970 16.609 -0.108 140 HG3 LYS 20 1HG LYS 20 7.862 15.531 0.964 141 HD2 LYS 20 2HD LYS 20 9.164 15.841 -1.019 142 HD3 LYS 20 1HD LYS 20 8.520 14.199 -1.045 143 HE2 LYS 20 2HE LYS 20 8.344 15.233 -3.243 144 HE3 LYS 20 1HE LYS 20 6.745 14.916 -2.571 145 HZ1 LYS 20 3HZ LYS 20 7.186 17.170 -3.681 146 HZ2 LYS 20 1HZ LYS 20 8.014 17.565 -2.252 147 HZ3 LYS 20 2HZ LYS 20 6.369 17.157 -2.204 148 H GLN 21 H GLN 21 4.504 12.120 1.173 149 HA GLN 21 HA GLN 21 1.833 13.222 1.097 150 HB2 GLN 21 2HB GLN 21 3.104 11.061 -0.077 151 HB3 GLN 21 1HB GLN 21 2.108 10.314 1.163 152 HG2 GLN 21 2HG GLN 21 0.603 12.304 -0.239 153 HG3 GLN 21 1HG GLN 21 1.346 11.184 -1.379 154 HE21 GLN 21 1HE2 GLN 21 0.299 9.367 -1.770 155 HE22 GLN 21 2HE2 GLN 21 -0.940 8.675 -0.782 156 H ALA 22 H ALA 22 3.870 11.295 3.206 157 HA ALA 22 HA ALA 22 1.850 10.306 4.903 158 HB1 ALA 22 1HB ALA 22 4.316 10.521 6.318 159 HB2 ALA 22 2HB ALA 22 3.545 9.085 5.646 160 HB3 ALA 22 3HB ALA 22 4.650 10.038 4.655 161 H GLU 23 H GLU 23 3.223 13.424 4.681 162 HA GLU 23 HA GLU 23 2.156 14.079 7.339 163 HB2 GLU 23 2HB GLU 23 4.375 15.205 5.720 164 HB3 GLU 23 1HB GLU 23 3.438 16.340 6.690 165 HG2 GLU 23 2HG GLU 23 4.358 13.844 7.983 166 HG3 GLU 23 1HG GLU 23 5.565 15.089 7.648 167 H GLY 24 H GLY 24 0.913 13.764 4.552 168 HA2 GLY 24 1HA GLY 24 -0.613 16.291 4.659 169 HA3 GLY 24 2HA GLY 24 -0.410 15.327 3.202 170 H THR 25 H THR 25 -0.713 12.827 4.749 171 HA THR 25 HA THR 25 -3.644 12.875 4.921 172 HB THR 25 HB THR 25 -2.981 10.230 4.985 173 HG1 THR 25 1HG THR 25 -1.352 10.649 2.928 174 HG21 THR 25 3HG2 THR 25 -4.383 10.335 3.258 175 HG22 THR 25 1HG2 THR 25 -3.082 10.958 2.240 176 HG23 THR 25 2HG2 THR 25 -4.117 12.074 3.133 177 H THR 26 H THR 26 -4.692 12.137 6.746 178 HA THR 26 HA THR 26 -3.054 11.941 9.140 179 HB THR 26 HB THR 26 -5.900 11.646 9.600 180 HG1 THR 26 1HG THR 26 -5.047 13.965 8.142 181 HG21 THR 26 3HG2 THR 26 -5.405 13.874 10.816 182 HG22 THR 26 1HG2 THR 26 -3.726 13.569 10.367 183 HG23 THR 26 2HG2 THR 26 -4.590 12.415 11.382 184 H CYS 27 H CYS 27 -2.170 9.939 9.177 185 HA CYS 27 HA CYS 27 -3.946 7.707 9.734 186 HB2 CYS 27 2HB CYS 27 -1.832 7.567 7.559 187 HB3 CYS 27 1HB CYS 27 -2.752 6.200 8.168 188 H ASN 28 H ASN 28 -2.307 5.698 10.148 189 HA ASN 28 HA ASN 28 -0.342 6.729 12.067 190 HB2 ASN 28 2HB ASN 28 -2.238 4.898 12.505 191 HB3 ASN 28 1HB ASN 28 -0.992 3.821 11.893 192 HD21 ASN 28 1HD2 ASN 28 -2.252 4.294 14.575 193 HD22 ASN 28 2HD2 ASN 28 -0.903 4.478 15.655 194 H VAL 29 H VAL 29 1.753 5.584 12.219 195 HA VAL 29 HA VAL 29 3.053 5.549 9.717 196 HB VAL 29 HB VAL 29 4.931 4.375 11.141 197 HG11 VAL 29 1HG1 VAL 29 4.011 7.144 10.933 198 HG12 VAL 29 2HG1 VAL 29 5.088 6.838 12.295 199 HG13 VAL 29 3HG1 VAL 29 5.611 6.454 10.654 200 HG21 VAL 29 3HG2 VAL 29 4.491 5.405 13.569 201 HG22 VAL 29 1HG2 VAL 29 2.832 4.999 13.131 202 HG23 VAL 29 2HG2 VAL 29 4.073 3.746 13.145 203 H GLY 30 H GLY 30 2.241 2.875 11.934 204 HA2 GLY 30 1HA GLY 30 3.156 0.869 10.081 205 HA3 GLY 30 2HA GLY 30 2.294 0.585 11.586 206 H SER 31 H SER 31 0.188 2.493 10.737 207 HA SER 31 HA SER 31 -1.331 0.520 9.212 208 HB2 SER 31 2HB SER 31 -2.748 2.778 10.487 209 HB3 SER 31 1HB SER 31 -3.134 1.055 10.478 210 HG SER 31 HG SER 31 -1.667 0.721 12.106 211 H ILE 32 H ILE 32 0.369 2.057 7.683 212 HA ILE 32 HA ILE 32 -1.521 3.826 6.284 213 HB ILE 32 HB ILE 32 0.794 4.712 7.127 214 HG12 ILE 32 2HG1 ILE 32 0.208 5.331 4.255 215 HG13 ILE 32 1HG1 ILE 32 -0.985 5.709 5.490 216 HG21 ILE 32 1HG2 ILE 32 2.225 3.020 6.201 217 HG22 ILE 32 2HG2 ILE 32 1.594 3.312 4.581 218 HG23 ILE 32 3HG2 ILE 32 2.558 4.550 5.389 219 HD11 ILE 32 3HD1 ILE 32 0.347 7.311 6.471 220 HD12 ILE 32 1HD1 ILE 32 1.833 6.630 5.809 221 HD13 ILE 32 2HD1 ILE 32 0.720 7.508 4.760 222 H ALA 33 H ALA 33 -1.921 3.460 4.078 223 HA ALA 33 HA ALA 33 -0.718 1.073 2.905 224 HB1 ALA 33 1HB ALA 33 -3.422 1.199 4.053 225 HB2 ALA 33 2HB ALA 33 -3.309 0.464 2.453 226 HB3 ALA 33 3HB ALA 33 -2.359 -0.182 3.792 227 H CYS 34 H CYS 34 -1.143 0.759 0.719 228 HA CYS 34 HA CYS 34 -2.231 3.085 -0.708 229 HB2 CYS 34 2HB CYS 34 -0.280 0.968 -1.633 230 HB3 CYS 34 1HB CYS 34 -0.895 2.277 -2.637 231 H CYS 35 H CYS 35 -3.952 2.814 -2.017 232 HA CYS 35 HA CYS 35 -4.937 0.068 -2.422 233 HB2 CYS 35 2HB CYS 35 -6.919 2.266 -2.327 234 HB3 CYS 35 1HB CYS 35 -7.039 0.616 -1.724 235 H ASN 36 H ASN 36 -6.524 -0.077 -4.267 236 HA ASN 36 HA ASN 36 -6.131 1.902 -6.363 237 HB2 ASN 36 2HB ASN 36 -4.285 -0.027 -6.332 238 HB3 ASN 36 1HB ASN 36 -5.554 -0.899 -7.190 239 HD21 ASN 36 1HD2 ASN 36 -5.898 -0.471 -9.288 240 HD22 ASN 36 2HD2 ASN 36 -5.059 0.732 -10.199 241 H SER 37 H SER 37 -7.456 1.473 -8.254 242 HA SER 37 HA SER 37 -10.100 1.031 -7.737 243 HB2 SER 37 2HB SER 37 -9.549 0.253 -10.440 244 HB3 SER 37 1HB SER 37 -10.205 1.777 -9.839 245 HG SER 37 HG SER 37 -8.360 2.503 -10.621 246 HA PRO 38 HA PRO 38 -10.672 -3.247 -6.814 247 HB2 PRO 38 2HB PRO 38 -13.279 -2.846 -8.146 248 HB3 PRO 38 1HB PRO 38 -12.915 -3.432 -6.521 249 HG2 PRO 38 2HG PRO 38 -13.856 -0.924 -7.089 250 HG3 PRO 38 1HG PRO 38 -12.934 -1.342 -5.639 251 HD2 PRO 38 2HD PRO 38 -12.136 0.262 -7.943 252 HD3 PRO 38 1HD PRO 38 -11.367 0.118 -6.352 253 H ALA 39 H ALA 39 -11.849 -2.104 -9.989 254 HA ALA 39 HA ALA 39 -12.165 -4.630 -11.142 255 HB1 ALA 39 1HB ALA 39 -11.426 -2.596 -13.081 256 HB2 ALA 39 2HB ALA 39 -12.943 -3.475 -12.883 257 HB3 ALA 39 3HB ALA 39 -12.630 -2.029 -11.923 258 H GLU 40 H GLU 40 -9.288 -2.899 -10.533 259 HA GLU 40 HA GLU 40 -7.804 -4.474 -12.521 260 HB2 GLU 40 2HB GLU 40 -6.981 -2.021 -10.954 261 HB3 GLU 40 1HB GLU 40 -5.944 -2.887 -12.082 262 HG2 GLU 40 2HG GLU 40 -8.564 -1.977 -13.100 263 HG3 GLU 40 1HG GLU 40 -7.356 -0.739 -12.768 264 H THR 41 H THR 41 -7.694 -3.426 -9.151 265 HA THR 41 HA THR 41 -5.619 -5.050 -8.239 266 HB THR 41 HB THR 41 -8.082 -4.083 -6.773 267 HG1 THR 41 1HG THR 41 -5.575 -2.923 -7.390 268 HG21 THR 41 3HG2 THR 41 -5.493 -4.443 -5.391 269 HG22 THR 41 1HG2 THR 41 -6.389 -5.909 -5.800 270 HG23 THR 41 2HG2 THR 41 -7.141 -4.665 -4.799 271 H ASN 42 H ASN 42 -9.020 -5.735 -8.752 272 HA ASN 42 HA ASN 42 -8.736 -8.354 -7.449 273 HB2 ASN 42 2HB ASN 42 -10.886 -6.393 -7.705 274 HB3 ASN 42 1HB ASN 42 -11.393 -8.040 -8.049 275 HD21 ASN 42 1HD2 ASN 42 -9.974 -5.931 -5.659 276 HD22 ASN 42 2HD2 ASN 42 -10.337 -6.922 -4.292 277 H ASN 43 H ASN 43 -8.045 -7.401 -10.302 278 HA ASN 43 HA ASN 43 -9.832 -8.737 -12.064 279 HB2 ASN 43 2HB ASN 43 -7.972 -6.880 -12.485 280 HB3 ASN 43 1HB ASN 43 -6.992 -8.294 -12.860 281 HD21 ASN 43 1HD2 ASN 43 -9.703 -6.347 -13.783 282 HD22 ASN 43 2HD2 ASN 43 -9.904 -7.024 -15.366 283 H ASP 44 H ASP 44 -7.225 -9.794 -10.102 284 HA ASP 44 HA ASP 44 -7.065 -12.341 -11.554 285 HB2 ASP 44 2HB ASP 44 -4.890 -11.348 -11.179 286 HB3 ASP 44 1HB ASP 44 -5.241 -11.131 -9.468 287 H SER 45 H SER 45 -7.177 -14.330 -10.357 288 HA SER 45 HA SER 45 -9.287 -14.240 -8.398 289 HB2 SER 45 2HB SER 45 -7.895 -16.794 -9.024 290 HB3 SER 45 1HB SER 45 -9.622 -16.451 -8.888 291 HG SER 45 HG SER 45 -9.356 -15.258 -10.914 292 H LEU 46 H LEU 46 -5.821 -14.719 -8.381 293 HA LEU 46 HA LEU 46 -5.865 -15.666 -5.624 294 HB2 LEU 46 2HB LEU 46 -4.287 -16.646 -7.262 295 HB3 LEU 46 1HB LEU 46 -3.509 -15.082 -7.419 296 HG LEU 46 HG LEU 46 -3.198 -15.323 -4.816 297 HD11 LEU 46 1HD1 LEU 46 -4.564 -17.466 -4.857 298 HD12 LEU 46 2HD1 LEU 46 -3.159 -18.216 -5.615 299 HD13 LEU 46 3HD1 LEU 46 -3.023 -17.516 -3.999 300 HD21 LEU 46 3HD2 LEU 46 -1.066 -15.478 -5.415 301 HD22 LEU 46 1HD2 LEU 46 -1.296 -17.120 -6.023 302 HD23 LEU 46 2HD2 LEU 46 -1.620 -15.738 -7.072 303 H LEU 47 H LEU 47 -4.922 -12.854 -7.501 304 HA LEU 47 HA LEU 47 -3.662 -11.278 -5.645 305 HB2 LEU 47 2HB LEU 47 -4.799 -10.911 -8.162 306 HB3 LEU 47 1HB LEU 47 -5.608 -9.730 -7.145 307 HG LEU 47 HG LEU 47 -2.604 -9.986 -7.304 308 HD11 LEU 47 1HD1 LEU 47 -3.252 -9.418 -9.500 309 HD12 LEU 47 2HD1 LEU 47 -4.494 -8.305 -8.926 310 HD13 LEU 47 3HD1 LEU 47 -2.788 -7.905 -8.720 311 HD21 LEU 47 3HD2 LEU 47 -4.214 -8.668 -5.500 312 HD22 LEU 47 1HD2 LEU 47 -2.512 -8.332 -5.819 313 HD23 LEU 47 2HD2 LEU 47 -3.766 -7.408 -6.652 314 H SER 48 H SER 48 -7.115 -11.883 -5.938 315 HA SER 48 HA SER 48 -7.979 -9.813 -4.248 316 HB2 SER 48 2HB SER 48 -9.852 -11.916 -4.092 317 HB3 SER 48 1HB SER 48 -9.899 -10.509 -5.157 318 HG SER 48 HG SER 48 -8.955 -11.673 -6.768 319 H GLY 49 H GLY 49 -6.762 -13.017 -3.576 320 HA2 GLY 49 1HA GLY 49 -7.456 -12.774 -0.735 321 HA3 GLY 49 2HA GLY 49 -6.770 -14.192 -1.515 322 H LEU 50 H LEU 50 -4.797 -12.466 -2.910 323 HA LEU 50 HA LEU 50 -2.644 -12.666 -1.110 324 HB2 LEU 50 2HB LEU 50 -3.053 -12.047 -3.837 325 HB3 LEU 50 1HB LEU 50 -2.132 -10.721 -3.157 326 HG LEU 50 HG LEU 50 -0.385 -12.236 -2.445 327 HD11 LEU 50 1HD1 LEU 50 -2.377 -14.170 -2.495 328 HD12 LEU 50 2HD1 LEU 50 -1.284 -14.618 -3.807 329 HD13 LEU 50 3HD1 LEU 50 -0.661 -14.421 -2.170 330 HD21 LEU 50 3HD2 LEU 50 -0.275 -13.363 -4.979 331 HD22 LEU 50 1HD2 LEU 50 -1.233 -11.895 -5.188 332 HD23 LEU 50 2HD2 LEU 50 0.385 -11.804 -4.486 333 H LEU 51 H LEU 51 -4.797 -10.046 -1.951 334 HA LEU 51 HA LEU 51 -3.444 -7.916 -0.741 335 HB2 LEU 51 2HB LEU 51 -6.429 -8.335 -0.929 336 HB3 LEU 51 1HB LEU 51 -5.615 -6.805 -0.666 337 HG LEU 51 HG LEU 51 -4.969 -8.357 -3.127 338 HD11 LEU 51 1HD1 LEU 51 -6.853 -7.633 -4.302 339 HD12 LEU 51 2HD1 LEU 51 -7.505 -8.238 -2.779 340 HD13 LEU 51 3HD1 LEU 51 -7.323 -6.501 -3.035 341 HD21 LEU 51 3HD2 LEU 51 -3.671 -6.412 -2.758 342 HD22 LEU 51 1HD2 LEU 51 -4.847 -6.006 -4.009 343 HD23 LEU 51 2HD2 LEU 51 -5.096 -5.455 -2.353 344 H GLY 52 H GLY 52 -5.676 -10.305 0.584 345 HA2 GLY 52 1HA GLY 52 -5.503 -9.170 3.248 346 HA3 GLY 52 2HA GLY 52 -6.433 -10.588 2.767 347 H ALA 53 H ALA 53 -3.062 -9.487 3.059 348 HA ALA 53 HA ALA 53 -1.995 -12.116 3.085 349 HB1 ALA 53 1HB ALA 53 -0.020 -10.697 4.206 350 HB2 ALA 53 2HB ALA 53 -0.350 -10.683 2.473 351 HB3 ALA 53 3HB ALA 53 -0.956 -9.382 3.497 352 H GLY 54 H GLY 54 -3.340 -10.046 5.456 353 HA2 GLY 54 1HA GLY 54 -2.690 -12.033 7.548 354 HA3 GLY 54 2HA GLY 54 -2.743 -10.304 7.880 355 H LEU 55 H LEU 55 -4.960 -11.735 5.671 356 HA LEU 55 HA LEU 55 -7.203 -11.986 5.635 357 HB2 LEU 55 2HB LEU 55 -6.392 -13.061 8.153 358 HB3 LEU 55 1HB LEU 55 -7.898 -12.194 8.387 359 HG LEU 55 HG LEU 55 -7.637 -14.183 6.157 360 HD11 LEU 55 1HD1 LEU 55 -7.055 -14.970 8.671 361 HD12 LEU 55 2HD1 LEU 55 -8.810 -15.143 8.676 362 HD13 LEU 55 3HD1 LEU 55 -7.844 -15.994 7.471 363 HD21 LEU 55 3HD2 LEU 55 -10.091 -14.425 6.702 364 HD22 LEU 55 1HD2 LEU 55 -9.900 -13.037 7.776 365 HD23 LEU 55 2HD2 LEU 55 -9.599 -12.862 6.048 366 H LEU 56 H LEU 56 -6.103 -9.445 5.715 367 HA LEU 56 HA LEU 56 -7.693 -7.778 7.430 368 HB2 LEU 56 2HB LEU 56 -6.699 -5.919 6.100 369 HB3 LEU 56 1HB LEU 56 -5.523 -6.961 6.872 370 HG LEU 56 HG LEU 56 -5.994 -7.945 4.241 371 HD11 LEU 56 1HD1 LEU 56 -6.109 -6.177 2.906 372 HD12 LEU 56 2HD1 LEU 56 -6.475 -5.216 4.337 373 HD13 LEU 56 3HD1 LEU 56 -4.811 -5.355 3.771 374 HD21 LEU 56 3HD2 LEU 56 -3.891 -8.430 4.796 375 HD22 LEU 56 1HD2 LEU 56 -3.496 -6.788 4.288 376 HD23 LEU 56 2HD2 LEU 56 -3.818 -7.135 5.988 377 H ASN 57 H ASN 57 -8.700 -5.806 6.054 378 HA ASN 57 HA ASN 57 -10.617 -7.090 4.237 379 HB2 ASN 57 2HB ASN 57 -11.253 -6.215 6.682 380 HB3 ASN 57 1HB ASN 57 -11.438 -4.704 5.802 381 HD21 ASN 57 1HD2 ASN 57 -13.489 -6.102 7.115 382 HD22 ASN 57 2HD2 ASN 57 -14.643 -6.590 5.922 383 H GLY 58 H GLY 58 -11.960 -5.040 3.254 384 HA2 GLY 58 1HA GLY 58 -9.857 -3.709 1.681 385 HA3 GLY 58 2HA GLY 58 -11.520 -3.955 1.167 386 H LEU 59 H LEU 59 -11.999 -1.864 0.676 387 HA LEU 59 HA LEU 59 -11.399 0.365 2.291 388 HB2 LEU 59 2HB LEU 59 -12.675 -0.135 -0.192 389 HB3 LEU 59 1HB LEU 59 -13.796 0.794 0.785 390 HG LEU 59 HG LEU 59 -12.248 2.093 -0.752 391 HD11 LEU 59 1HD1 LEU 59 -11.608 3.592 1.418 392 HD12 LEU 59 2HD1 LEU 59 -13.184 3.585 0.631 393 HD13 LEU 59 3HD1 LEU 59 -12.908 2.589 2.060 394 HD21 LEU 59 3HD2 LEU 59 -9.996 2.507 -0.028 395 HD22 LEU 59 1HD2 LEU 59 -10.224 1.485 1.393 396 HD23 LEU 59 2HD2 LEU 59 -10.222 0.766 -0.218 397 H SER 60 H SER 60 -12.731 1.561 3.678 398 HA SER 60 HA SER 60 -14.200 0.114 5.531 399 HB2 SER 60 2HB SER 60 -15.079 2.703 5.858 400 HB3 SER 60 1HB SER 60 -13.593 2.046 6.536 401 HG SER 60 HG SER 60 -13.970 3.795 4.415 402 H GLY 61 H GLY 61 -15.803 -1.126 4.519 403 HA2 GLY 61 1HA GLY 61 -18.146 -1.354 4.355 404 HA3 GLY 61 2HA GLY 61 -18.271 0.358 3.983 405 H ASN 62 H ASN 62 -15.824 -0.512 2.074 406 HA ASN 62 HA ASN 62 -17.673 -1.136 -0.133 407 HB2 ASN 62 2HB ASN 62 -16.772 1.204 -0.135 408 HB3 ASN 62 1HB ASN 62 -15.166 0.524 -0.372 409 HD21 ASN 62 1HD2 ASN 62 -14.586 0.833 -2.415 410 HD22 ASN 62 2HD2 ASN 62 -15.594 0.595 -3.797 411 H THR 63 H THR 63 -17.373 -3.187 -0.604 412 HA THR 63 HA THR 63 -14.889 -4.556 -0.383 413 HB THR 63 HB THR 63 -16.916 -5.740 -2.152 414 HG1 THR 63 1HG THR 63 -18.467 -5.953 -0.518 415 HG21 THR 63 3HG2 THR 63 -15.821 -6.708 0.484 416 HG22 THR 63 1HG2 THR 63 -14.977 -6.915 -1.051 417 HG23 THR 63 2HG2 THR 63 -16.553 -7.668 -0.802 418 H GLY 64 H GLY 64 -13.294 -4.795 -1.842 419 HA2 GLY 64 1HA GLY 64 -12.910 -5.360 -4.274 420 HA3 GLY 64 2HA GLY 64 -13.794 -3.876 -4.603 421 H SER 65 H SER 65 -12.836 -2.019 -3.083 422 HA SER 65 HA SER 65 -10.138 -1.646 -3.991 423 HB2 SER 65 2HB SER 65 -11.155 0.302 -2.058 424 HB3 SER 65 1HB SER 65 -10.591 0.544 -3.713 425 HG SER 65 HG SER 65 -12.580 0.335 -4.445 426 H ALA 66 H ALA 66 -8.915 -3.181 -2.903 427 HA ALA 66 HA ALA 66 -8.861 -3.130 0.008 428 HB1 ALA 66 1HB ALA 66 -8.612 -5.210 -1.614 429 HB2 ALA 66 2HB ALA 66 -6.912 -4.745 -1.554 430 HB3 ALA 66 3HB ALA 66 -7.772 -5.137 -0.065 431 H CYS 67 H CYS 67 -6.748 -2.907 1.119 432 HA CYS 67 HA CYS 67 -4.982 -1.040 -0.310 433 HB2 CYS 67 2HB CYS 67 -5.881 -0.812 2.570 434 HB3 CYS 67 1HB CYS 67 -4.755 0.266 1.752 435 H ALA 68 H ALA 68 -2.878 -1.470 -0.205 436 HA ALA 68 HA ALA 68 -2.022 -3.613 1.616 437 HB1 ALA 68 1HB ALA 68 -0.995 -4.499 -0.127 438 HB2 ALA 68 2HB ALA 68 -1.538 -3.161 -1.139 439 HB3 ALA 68 3HB ALA 68 -0.002 -3.048 -0.281 440 H LYS 69 H LYS 69 -0.727 -3.163 3.210 441 HA LYS 69 HA LYS 69 0.187 -0.452 3.621 442 HB2 LYS 69 2HB LYS 69 0.323 -2.974 5.290 443 HB3 LYS 69 1HB LYS 69 1.044 -1.455 5.800 444 HG2 LYS 69 2HG LYS 69 -1.031 -1.585 6.886 445 HG3 LYS 69 1HG LYS 69 -1.251 -0.429 5.574 446 HD2 LYS 69 2HD LYS 69 -3.126 -2.080 5.882 447 HD3 LYS 69 1HD LYS 69 -2.437 -2.021 4.260 448 HE2 LYS 69 2HE LYS 69 -2.785 -4.320 4.888 449 HE3 LYS 69 1HE LYS 69 -1.050 -3.996 4.833 450 HZ1 LYS 69 3HZ LYS 69 -1.472 -5.226 6.785 451 HZ2 LYS 69 1HZ LYS 69 -2.772 -4.225 7.230 452 HZ3 LYS 69 2HZ LYS 69 -1.186 -3.632 7.279 453 H ALA 70 H ALA 70 2.471 -0.108 4.399 454 HA ALA 70 HA ALA 70 4.375 -1.016 2.543 455 HB1 ALA 70 1HB ALA 70 4.820 0.114 5.308 456 HB2 ALA 70 2HB ALA 70 6.052 -0.050 4.056 457 HB3 ALA 70 3HB ALA 70 4.684 1.038 3.811 458 H SER 71 H SER 71 3.304 -2.255 5.610 459 HA SER 71 HA SER 71 5.323 -4.199 6.020 460 HB2 SER 71 2HB SER 71 2.890 -5.069 7.186 461 HB3 SER 71 1HB SER 71 4.218 -4.218 7.983 462 HG SER 71 HG SER 71 2.583 -2.845 8.266 463 H LEU 72 H LEU 72 2.559 -4.010 3.975 464 HA LEU 72 HA LEU 72 2.401 -6.875 3.540 465 HB2 LEU 72 2HB LEU 72 0.601 -4.735 3.281 466 HB3 LEU 72 1HB LEU 72 0.895 -5.307 1.648 467 HG LEU 72 HG LEU 72 0.290 -7.597 2.371 468 HD11 LEU 72 1HD1 LEU 72 -0.520 -8.090 4.493 469 HD12 LEU 72 2HD1 LEU 72 0.864 -7.044 4.814 470 HD13 LEU 72 3HD1 LEU 72 -0.774 -6.392 4.899 471 HD21 LEU 72 3HD2 LEU 72 -2.036 -7.256 2.318 472 HD22 LEU 72 1HD2 LEU 72 -1.899 -5.659 3.058 473 HD23 LEU 72 2HD2 LEU 72 -1.335 -5.917 1.406 474 H ILE 73 H ILE 73 3.812 -4.055 2.113 475 HA ILE 73 HA ILE 73 4.348 -5.017 -0.459 476 HB ILE 73 HB ILE 73 5.479 -2.903 1.279 477 HG12 ILE 73 2HG1 ILE 73 5.345 -2.027 -1.347 478 HG13 ILE 73 1HG1 ILE 73 4.041 -3.205 -1.245 479 HG21 ILE 73 1HG2 ILE 73 7.060 -4.145 -0.954 480 HG22 ILE 73 2HG2 ILE 73 7.266 -2.454 -0.499 481 HG23 ILE 73 3HG2 ILE 73 7.588 -3.730 0.677 482 HD11 ILE 73 3HD1 ILE 73 2.973 -1.995 0.496 483 HD12 ILE 73 1HD1 ILE 73 4.374 -0.945 0.710 484 HD13 ILE 73 2HD1 ILE 73 3.403 -0.831 -0.757 485 H ASP 74 H ASP 74 6.014 -5.474 2.608 486 HA ASP 74 HA ASP 74 8.021 -7.206 1.402 487 HB2 ASP 74 2HB ASP 74 8.683 -5.638 3.181 488 HB3 ASP 74 1HB ASP 74 7.559 -6.413 4.291 489 H GLN 75 H GLN 75 4.885 -7.561 2.371 490 HA GLN 75 HA GLN 75 5.200 -10.111 3.720 491 HB2 GLN 75 2HB GLN 75 3.277 -8.102 3.811 492 HB3 GLN 75 1HB GLN 75 2.479 -9.418 2.964 493 HG2 GLN 75 2HG GLN 75 2.338 -9.247 5.548 494 HG3 GLN 75 1HG GLN 75 2.551 -10.816 4.773 495 HE21 GLN 75 1HE2 GLN 75 4.618 -8.126 5.821 496 HE22 GLN 75 2HE2 GLN 75 5.778 -9.119 6.634 497 H LEU 76 H LEU 76 3.569 -8.920 0.774 498 HA LEU 76 HA LEU 76 3.813 -11.646 -0.316 499 HB2 LEU 76 2HB LEU 76 1.444 -10.024 0.121 500 HB3 LEU 76 1HB LEU 76 1.586 -10.538 -1.550 501 HG LEU 76 HG LEU 76 0.260 -12.173 -0.464 502 HD11 LEU 76 1HD1 LEU 76 1.952 -14.160 -0.323 503 HD12 LEU 76 2HD1 LEU 76 1.605 -13.387 -1.868 504 HD13 LEU 76 3HD1 LEU 76 3.079 -12.979 -0.987 505 HD21 LEU 76 3HD2 LEU 76 0.417 -12.061 1.783 506 HD22 LEU 76 1HD2 LEU 76 1.564 -13.381 1.554 507 HD23 LEU 76 2HD2 LEU 76 2.149 -11.729 1.755 508 H GLY 77 H GLY 77 4.554 -8.412 -0.703 509 HA2 GLY 77 1HA GLY 77 5.578 -7.266 -2.411 510 HA3 GLY 77 2HA GLY 77 5.778 -8.809 -3.223 511 H LEU 78 H LEU 78 2.898 -6.971 -2.289 512 HA LEU 78 HA LEU 78 1.552 -7.598 -4.710 513 HB2 LEU 78 2HB LEU 78 0.925 -5.600 -2.549 514 HB3 LEU 78 1HB LEU 78 -0.142 -5.963 -3.891 515 HG LEU 78 HG LEU 78 0.773 -8.063 -1.938 516 HD11 LEU 78 1HD1 LEU 78 -0.552 -7.179 -0.399 517 HD12 LEU 78 2HD1 LEU 78 -1.029 -5.886 -1.500 518 HD13 LEU 78 3HD1 LEU 78 -1.917 -7.409 -1.489 519 HD21 LEU 78 3HD2 LEU 78 -0.469 -9.482 -3.132 520 HD22 LEU 78 1HD2 LEU 78 -1.815 -8.345 -3.225 521 HD23 LEU 78 2HD2 LEU 78 -0.492 -8.243 -4.386 522 H LEU 79 H LEU 79 1.563 -6.559 -6.608 523 HA LEU 79 HA LEU 79 2.725 -3.860 -6.700 524 HB2 LEU 79 2HB LEU 79 2.869 -4.460 -9.234 525 HB3 LEU 79 1HB LEU 79 4.053 -5.105 -8.114 526 HG LEU 79 HG LEU 79 2.472 -7.173 -8.018 527 HD11 LEU 79 1HD1 LEU 79 0.600 -6.239 -9.229 528 HD12 LEU 79 2HD1 LEU 79 1.629 -5.905 -10.623 529 HD13 LEU 79 3HD1 LEU 79 1.298 -7.572 -10.151 530 HD21 LEU 79 3HD2 LEU 79 4.131 -6.551 -10.454 531 HD22 LEU 79 1HD2 LEU 79 4.732 -7.180 -8.921 532 HD23 LEU 79 2HD2 LEU 79 3.652 -8.160 -9.911 533 H ALA 80 H ALA 80 -0.184 -5.142 -6.458 534 HA ALA 80 HA ALA 80 -1.552 -4.173 -8.767 535 HB1 ALA 80 1HB ALA 80 -3.520 -4.980 -7.768 536 HB2 ALA 80 2HB ALA 80 -2.251 -6.094 -7.261 537 HB3 ALA 80 3HB ALA 80 -2.843 -4.866 -6.144 538 H LEU 81 H LEU 81 -0.760 -2.798 -5.659 539 HA LEU 81 HA LEU 81 -2.363 -0.426 -6.355 540 HB2 LEU 81 2HB LEU 81 -2.027 -0.945 -3.482 541 HB3 LEU 81 1HB LEU 81 -3.420 -0.347 -4.361 542 HG LEU 81 HG LEU 81 -3.125 -3.061 -5.076 543 HD11 LEU 81 1HD1 LEU 81 -3.176 -4.203 -2.973 544 HD12 LEU 81 2HD1 LEU 81 -1.706 -3.233 -3.060 545 HD13 LEU 81 3HD1 LEU 81 -3.072 -2.676 -2.095 546 HD21 LEU 81 3HD2 LEU 81 -5.149 -2.553 -3.078 547 HD22 LEU 81 1HD2 LEU 81 -5.103 -1.277 -4.296 548 HD23 LEU 81 2HD2 LEU 81 -5.326 -2.957 -4.785 549 H VAL 82 H VAL 82 0.637 -1.481 -6.065 550 HA VAL 82 HA VAL 82 1.611 0.940 -4.708 551 HB VAL 82 HB VAL 82 3.276 -1.519 -5.222 552 HG11 VAL 82 1HG1 VAL 82 4.913 -0.252 -4.405 553 HG12 VAL 82 2HG1 VAL 82 3.784 1.085 -4.166 554 HG13 VAL 82 3HG1 VAL 82 4.026 -0.109 -2.885 555 HG21 VAL 82 3HG2 VAL 82 1.668 -0.890 -2.743 556 HG22 VAL 82 1HG2 VAL 82 1.384 -2.225 -3.861 557 HG23 VAL 82 2HG2 VAL 82 2.856 -2.184 -2.891 558 H ASP 83 H ASP 83 2.957 2.289 -5.769 559 HA ASP 83 HA ASP 83 3.495 1.620 -8.586 560 HB2 ASP 83 2HB ASP 83 1.900 3.619 -7.786 561 HB3 ASP 83 1HB ASP 83 3.439 4.465 -7.719 562 H HIS 84 H HIS 84 5.478 2.457 -9.475 563 HA HIS 84 HA HIS 84 7.469 3.075 -7.404 564 HB2 HIS 84 2HB HIS 84 7.530 0.942 -9.478 565 HB3 HIS 84 1HB HIS 84 9.041 1.791 -9.153 566 HD1 HIS 84 1HD HIS 84 6.322 0.073 -7.109 567 HD2 HIS 84 2HD HIS 84 10.432 0.673 -7.125 568 HE1 HIS 84 1HE HIS 84 7.187 -1.171 -5.108 569 HE2 HIS 84 2HE HIS 84 9.699 -0.988 -5.269 570 H THR 85 H THR 85 8.255 4.990 -7.696 571 HA THR 85 HA THR 85 8.295 6.115 -10.417 572 HB THR 85 HB THR 85 8.549 8.299 -8.869 573 HG1 THR 85 1HG THR 85 6.962 6.484 -7.344 574 HG21 THR 85 3HG2 THR 85 6.431 8.836 -9.552 575 HG22 THR 85 1HG2 THR 85 5.770 7.264 -9.093 576 HG23 THR 85 2HG2 THR 85 6.703 7.429 -10.580 577 H GLU 86 H GLU 86 9.952 8.233 -10.036 578 HA GLU 86 HA GLU 86 12.506 6.969 -10.117 579 HB2 GLU 86 2HB GLU 86 11.895 9.928 -10.101 580 HB3 GLU 86 1HB GLU 86 13.369 9.155 -10.671 581 HG2 GLU 86 2HG GLU 86 12.041 8.010 -12.418 582 HG3 GLU 86 1HG GLU 86 10.627 8.916 -11.886 583 H GLU 87 H GLU 87 10.655 8.488 -7.647 584 HA GLU 87 HA GLU 87 12.960 8.913 -5.926 585 HB2 GLU 87 2HB GLU 87 10.071 9.119 -5.113 586 HB3 GLU 87 1HB GLU 87 11.463 9.897 -4.377 587 HG2 GLU 87 2HG GLU 87 10.927 11.700 -5.558 588 HG3 GLU 87 1HG GLU 87 11.497 10.828 -6.980 589 H GLY 88 H GLY 88 10.830 6.373 -6.679 590 HA2 GLY 88 1HA GLY 88 11.791 4.236 -5.755 591 HA3 GLY 88 2HA GLY 88 11.575 4.982 -4.181 592 HA PRO 89 HA PRO 89 7.786 2.511 -4.874 593 HB2 PRO 89 2HB PRO 89 7.971 1.739 -2.105 594 HB3 PRO 89 1HB PRO 89 8.181 0.731 -3.538 595 HG2 PRO 89 2HG PRO 89 10.203 1.369 -1.799 596 HG3 PRO 89 1HG PRO 89 10.453 0.935 -3.500 597 HD2 PRO 89 2HD PRO 89 10.395 3.638 -2.216 598 HD3 PRO 89 1HD PRO 89 11.462 3.016 -3.495 599 H VAL 90 H VAL 90 5.819 3.372 -4.631 600 HA VAL 90 HA VAL 90 5.152 4.945 -2.269 601 HB VAL 90 HB VAL 90 4.264 6.789 -3.827 602 HG11 VAL 90 1HG1 VAL 90 5.971 7.523 -2.470 603 HG12 VAL 90 2HG1 VAL 90 7.115 6.330 -3.085 604 HG13 VAL 90 3HG1 VAL 90 6.699 7.737 -4.064 605 HG21 VAL 90 3HG2 VAL 90 5.497 7.064 -5.934 606 HG22 VAL 90 1HG2 VAL 90 6.286 5.509 -5.663 607 HG23 VAL 90 2HG2 VAL 90 4.542 5.580 -5.923 608 H CYS 91 H CYS 91 2.826 5.963 -2.752 609 HA CYS 91 HA CYS 91 1.085 3.759 -3.242 610 HB2 CYS 91 2HB CYS 91 0.763 6.607 -2.431 611 HB3 CYS 91 1HB CYS 91 -0.633 5.803 -3.138 612 H LYS 92 H LYS 92 -0.054 3.258 -5.024 613 HA LYS 92 HA LYS 92 0.753 4.418 -7.511 614 HB2 LYS 92 2HB LYS 92 0.243 1.993 -7.150 615 HB3 LYS 92 1HB LYS 92 -1.456 2.423 -7.020 616 HG2 LYS 92 2HG LYS 92 -1.701 2.563 -9.225 617 HG3 LYS 92 1HG LYS 92 -0.204 3.477 -9.422 618 HD2 LYS 92 2HD LYS 92 1.088 1.416 -9.279 619 HD3 LYS 92 1HD LYS 92 -0.399 0.492 -9.055 620 HE2 LYS 92 2HE LYS 92 -0.171 0.211 -11.295 621 HE3 LYS 92 1HE LYS 92 -1.034 1.750 -11.320 622 HZ1 LYS 92 3HZ LYS 92 1.538 1.165 -12.299 623 HZ2 LYS 92 1HZ LYS 92 1.685 2.319 -11.063 624 HZ3 LYS 92 2HZ LYS 92 0.677 2.626 -12.392 625 H ASN 93 H ASN 93 -2.296 4.304 -5.713 626 HA ASN 93 HA ASN 93 -3.305 6.508 -7.372 627 HB2 ASN 93 2HB ASN 93 -4.257 3.768 -7.356 628 HB3 ASN 93 1HB ASN 93 -5.529 4.882 -6.872 629 HD21 ASN 93 1HD2 ASN 93 -4.189 3.342 -9.391 630 HD22 ASN 93 2HD2 ASN 93 -4.691 4.377 -10.687 631 H ILE 94 H ILE 94 -4.670 4.374 -4.904 632 HA ILE 94 HA ILE 94 -5.788 6.729 -3.568 633 HB ILE 94 HB ILE 94 -6.536 3.802 -3.515 634 HG12 ILE 94 2HG1 ILE 94 -8.651 5.602 -4.210 635 HG13 ILE 94 1HG1 ILE 94 -7.239 5.960 -5.198 636 HG21 ILE 94 1HG2 ILE 94 -8.035 5.982 -2.105 637 HG22 ILE 94 2HG2 ILE 94 -8.286 4.240 -2.010 638 HG23 ILE 94 3HG2 ILE 94 -6.844 4.963 -1.296 639 HD11 ILE 94 3HD1 ILE 94 -9.097 3.771 -5.373 640 HD12 ILE 94 1HD1 ILE 94 -7.872 4.308 -6.522 641 HD13 ILE 94 2HD1 ILE 94 -7.436 3.191 -5.227 642 H VAL 95 H VAL 95 -5.367 7.186 -1.455 643 HA VAL 95 HA VAL 95 -3.388 5.482 -0.101 644 HB VAL 95 HB VAL 95 -2.459 7.670 -0.610 645 HG11 VAL 95 1HG1 VAL 95 -4.429 9.001 -0.846 646 HG12 VAL 95 2HG1 VAL 95 -4.852 8.768 0.851 647 HG13 VAL 95 3HG1 VAL 95 -3.430 9.716 0.420 648 HG21 VAL 95 3HG2 VAL 95 -1.473 7.032 1.340 649 HG22 VAL 95 1HG2 VAL 95 -2.256 8.515 1.890 650 HG23 VAL 95 2HG2 VAL 95 -3.001 6.949 2.217 651 H ALA 96 H ALA 96 -3.764 4.848 2.009 652 HA ALA 96 HA ALA 96 -6.165 5.784 3.369 653 HB1 ALA 96 1HB ALA 96 -5.850 2.997 2.298 654 HB2 ALA 96 2HB ALA 96 -6.908 3.363 3.660 655 HB3 ALA 96 3HB ALA 96 -7.200 4.112 2.092 656 H CYS 97 H CYS 97 -6.425 4.733 5.518 657 HA CYS 97 HA CYS 97 -3.853 3.809 6.612 658 HB2 CYS 97 2HB CYS 97 -5.832 4.552 8.610 659 HB3 CYS 97 1HB CYS 97 -4.168 5.095 8.427 660 H CYS 98 H CYS 98 -3.778 1.697 7.092 661 HA CYS 98 HA CYS 98 -6.289 0.267 7.590 662 HB2 CYS 98 2HB CYS 98 -5.972 0.145 5.195 663 HB3 CYS 98 1HB CYS 98 -4.308 -0.380 5.398 664 HA PRO 99 HA PRO 99 -3.612 -1.975 10.400 665 HB2 PRO 99 2HB PRO 99 -5.420 -3.676 11.375 666 HB3 PRO 99 1HB PRO 99 -5.564 -1.940 11.684 667 HG2 PRO 99 2HG PRO 99 -6.995 -3.615 9.657 668 HG3 PRO 99 1HG PRO 99 -7.652 -2.390 10.757 669 HD2 PRO 99 2HD PRO 99 -7.019 -1.912 8.131 670 HD3 PRO 99 1HD PRO 99 -7.031 -0.658 9.389 671 H GLU 100 H GLU 100 -3.345 -4.510 10.922 672 HA GLU 100 HA GLU 100 -2.533 -5.658 8.409 673 HB2 GLU 100 2HB GLU 100 -1.359 -5.749 10.766 674 HB3 GLU 100 1HB GLU 100 -2.347 -7.190 10.962 675 HG2 GLU 100 2HG GLU 100 -0.038 -7.600 10.089 676 HG3 GLU 100 1HG GLU 100 -1.337 -8.246 9.080 677 H GLY 101 H GLY 101 -5.145 -6.233 10.698 678 HA2 GLY 101 1HA GLY 101 -6.606 -7.736 8.819 679 HA3 GLY 101 2HA GLY 101 -5.791 -8.843 9.908 680 H THR 102 H THR 102 -7.700 -5.842 10.120 681 HA THR 102 HA THR 102 -9.672 -7.213 11.724 682 HB THR 102 HB THR 102 -9.118 -4.734 13.089 683 HG1 THR 102 1HG THR 102 -7.041 -6.305 13.824 684 HG21 THR 102 3HG2 THR 102 -10.097 -6.047 14.611 685 HG22 THR 102 1HG2 THR 102 -8.548 -6.871 14.793 686 HG23 THR 102 2HG2 THR 102 -9.753 -7.498 13.668 687 H THR 103 H THR 103 -11.425 -6.727 10.610 688 HA THR 103 HA THR 103 -12.983 -5.629 9.378 689 HB THR 103 HB THR 103 -12.703 -2.945 10.337 690 HG1 THR 103 1HG THR 103 -11.465 -3.819 12.030 691 HG21 THR 103 3HG2 THR 103 -14.793 -3.989 11.720 692 HG22 THR 103 1HG2 THR 103 -14.648 -5.152 10.400 693 HG23 THR 103 2HG2 THR 103 -14.884 -3.439 10.046 694 H ASN 104 H ASN 104 -13.378 -3.301 8.285 695 HA ASN 104 HA ASN 104 -11.534 -3.350 6.105 696 HB2 ASN 104 2HB ASN 104 -13.048 -1.210 5.530 697 HB3 ASN 104 1HB ASN 104 -13.565 -2.861 5.223 698 HD21 ASN 104 1HD2 ASN 104 -13.500 -0.703 8.065 699 HD22 ASN 104 2HD2 ASN 104 -15.165 -0.960 8.491 700 H CYS 105 H CYS 105 -10.674 -1.269 5.199 701 HA CYS 105 HA CYS 105 -9.372 0.191 7.411 702 HB2 CYS 105 2HB CYS 105 -8.271 0.057 4.624 703 HB3 CYS 105 1HB CYS 105 -7.417 0.232 6.152 704 H VAL 106 H VAL 106 -9.199 2.422 7.277 705 HA VAL 106 HA VAL 106 -11.274 3.669 5.697 706 HB VAL 106 HB VAL 106 -11.268 4.377 7.944 707 HG11 VAL 106 1HG1 VAL 106 -8.307 4.595 7.617 708 HG12 VAL 106 2HG1 VAL 106 -9.133 5.531 8.862 709 HG13 VAL 106 3HG1 VAL 106 -9.242 3.770 8.865 710 HG21 VAL 106 3HG2 VAL 106 -10.796 6.203 5.868 711 HG22 VAL 106 1HG2 VAL 106 -11.629 6.490 7.393 712 HG23 VAL 106 2HG2 VAL 106 -9.896 6.792 7.265 713 H ALA 107 H ALA 107 -10.902 4.533 3.772 714 HA ALA 107 HA ALA 107 -8.187 5.364 3.062 715 HB1 ALA 107 1HB ALA 107 -8.689 4.813 0.957 716 HB2 ALA 107 2HB ALA 107 -10.130 4.044 1.619 717 HB3 ALA 107 3HB ALA 107 -10.214 5.695 1.002 718 H VAL 108 H VAL 108 -7.620 7.446 3.066 719 HA VAL 108 HA VAL 108 -9.654 9.425 3.692 720 HB VAL 108 HB VAL 108 -7.157 10.716 3.453 721 HG11 VAL 108 1HG1 VAL 108 -9.225 10.265 5.390 722 HG12 VAL 108 2HG1 VAL 108 -7.642 10.200 6.166 723 HG13 VAL 108 3HG1 VAL 108 -8.113 11.624 5.238 724 HG21 VAL 108 3HG2 VAL 108 -5.545 9.329 4.104 725 HG22 VAL 108 1HG2 VAL 108 -6.508 8.759 5.467 726 HG23 VAL 108 2HG2 VAL 108 -6.682 7.999 3.887 727 H ASP 109 H ASP 109 -8.891 8.142 0.967 728 HA ASP 109 HA ASP 109 -8.189 10.378 -0.675 729 HB2 ASP 109 2HB ASP 109 -7.630 8.103 -1.401 730 HB3 ASP 109 1HB ASP 109 -9.343 7.695 -1.469 731 H ASN 110 H ASN 110 -9.449 11.615 -1.921 732 HA ASN 110 HA ASN 110 -12.049 11.496 -2.632 733 HB2 ASN 110 2HB ASN 110 -13.436 12.397 -0.974 734 HB3 ASN 110 1HB ASN 110 -12.401 11.307 -0.059 735 HD21 ASN 110 1HD2 ASN 110 -10.714 12.199 1.209 736 HD22 ASN 110 2HD2 ASN 110 -10.798 13.838 1.765 737 H ALA 111 H ALA 111 -9.269 13.168 -1.776 738 HA ALA 111 HA ALA 111 -10.044 15.818 -2.431 739 HB1 ALA 111 1HB ALA 111 -7.244 15.394 -2.858 740 HB2 ALA 111 2HB ALA 111 -8.050 16.273 -1.559 741 HB3 ALA 111 3HB ALA 111 -7.759 14.542 -1.402 742 H GLY 112 H GLY 112 -8.414 13.245 -4.262 743 HA2 GLY 112 1HA GLY 112 -9.035 13.000 -6.614 744 HA3 GLY 112 2HA GLY 112 -9.070 14.753 -6.713 745 H ALA 113 H ALA 113 -7.291 12.031 -7.349 746 HA ALA 113 HA ALA 113 -5.236 11.648 -8.203 747 HB1 ALA 113 1HB ALA 113 -5.727 14.465 -8.841 748 HB2 ALA 113 2HB ALA 113 -4.020 14.018 -8.803 749 HB3 ALA 113 3HB ALA 113 -5.135 13.151 -9.859 750 H GLY 114 H GLY 114 -5.229 11.332 -5.605 751 HA2 GLY 114 1HA GLY 114 -2.993 12.947 -4.540 752 HA3 GLY 114 2HA GLY 114 -4.207 12.144 -3.556 753 H THR 115 H THR 115 -1.751 11.305 -6.013 754 HA THR 115 HA THR 115 -1.262 8.778 -4.674 755 HB THR 115 HB THR 115 -1.047 8.343 -6.917 756 HG1 THR 115 1HG THR 115 0.936 7.668 -6.344 757 HG21 THR 115 3HG2 THR 115 -0.783 9.862 -8.576 758 HG22 THR 115 1HG2 THR 115 0.531 10.702 -7.747 759 HG23 THR 115 2HG2 THR 115 -1.143 11.008 -7.284 760 H LYS 116 H LYS 116 0.410 11.796 -5.394 761 HA LYS 116 HA LYS 116 2.009 11.539 -2.989 762 HB2 LYS 116 2HB LYS 116 3.164 11.554 -5.771 763 HB3 LYS 116 1HB LYS 116 4.063 12.244 -4.427 764 HG2 LYS 116 2HG LYS 116 3.731 10.005 -3.272 765 HG3 LYS 116 1HG LYS 116 3.214 9.402 -4.847 766 HD2 LYS 116 2HD LYS 116 5.808 10.876 -4.575 767 HD3 LYS 116 1HD LYS 116 5.716 9.166 -4.131 768 HE2 LYS 116 2HE LYS 116 5.720 8.543 -6.273 769 HE3 LYS 116 1HE LYS 116 4.432 9.678 -6.676 770 HZ1 LYS 116 3HZ LYS 116 7.068 9.830 -7.448 771 HZ2 LYS 116 1HZ LYS 116 6.915 11.021 -6.260 772 HZ3 LYS 116 2HZ LYS 116 5.897 11.042 -7.614 773 H ALA 117 H ALA 117 2.671 13.543 -2.209 774 HA ALA 117 HA ALA 117 1.449 15.873 -3.380 775 HB1 ALA 117 1HB ALA 117 3.240 15.507 -0.978 776 HB2 ALA 117 2HB ALA 117 2.603 17.067 -1.489 777 HB3 ALA 117 3HB ALA 117 1.498 15.784 -0.993 778 H GLU 118 H GLU 118 2.348 17.106 -4.882 779 HA GLU 118 HA GLU 118 4.694 16.482 -6.211 780 HB2 GLU 118 2HB GLU 118 2.804 17.902 -7.079 781 HB3 GLU 118 1HB GLU 118 3.421 19.228 -6.102 782 HG2 GLU 118 2HG GLU 118 4.893 19.774 -7.658 783 HG3 GLU 118 1HG GLU 118 5.529 18.133 -7.706 Start of MODEL 16 1 H1 SER 1 1H SER 1 10.088 -18.733 11.811 2 H2 SER 1 2H SER 1 10.137 -19.186 10.179 3 H3 SER 1 3H SER 1 9.827 -17.577 10.599 4 HA SER 1 HA SER 1 12.311 -18.779 11.525 5 HB2 SER 1 2HB SER 1 12.584 -17.527 8.902 6 HB3 SER 1 1HB SER 1 13.225 -19.065 9.484 7 HG SER 1 HG SER 1 11.662 -20.058 8.485 8 H LEU 2 H LEU 2 14.006 -17.034 11.531 9 HA LEU 2 HA LEU 2 12.761 -14.372 11.805 10 HB2 LEU 2 2HB LEU 2 14.129 -16.015 13.790 11 HB3 LEU 2 1HB LEU 2 14.843 -14.419 13.638 12 HG LEU 2 HG LEU 2 12.181 -13.817 13.770 13 HD11 LEU 2 1HD1 LEU 2 12.234 -15.590 16.062 14 HD12 LEU 2 2HD1 LEU 2 10.968 -15.331 14.861 15 HD13 LEU 2 3HD1 LEU 2 12.270 -16.476 14.538 16 HD21 LEU 2 3HD2 LEU 2 14.519 -13.545 15.381 17 HD22 LEU 2 1HD2 LEU 2 13.091 -12.515 15.314 18 HD23 LEU 2 2HD2 LEU 2 13.138 -13.883 16.422 19 HA PRO 3 HA PRO 3 16.103 -12.958 9.246 20 HB2 PRO 3 2HB PRO 3 16.226 -10.362 10.111 21 HB3 PRO 3 1HB PRO 3 15.026 -10.968 8.965 22 HG2 PRO 3 2HG PRO 3 14.762 -10.474 11.901 23 HG3 PRO 3 1HG PRO 3 13.600 -10.160 10.600 24 HD2 PRO 3 2HD PRO 3 13.399 -12.297 12.243 25 HD3 PRO 3 1HD PRO 3 12.878 -12.343 10.546 26 H ALA 4 H ALA 4 16.159 -12.804 12.689 27 HA ALA 4 HA ALA 4 17.813 -12.996 14.226 28 HB1 ALA 4 1HB ALA 4 19.871 -13.743 12.242 29 HB2 ALA 4 2HB ALA 4 19.427 -14.512 13.764 30 HB3 ALA 4 3HB ALA 4 18.437 -14.764 12.327 31 H SER 5 H SER 5 17.427 -10.452 13.004 32 HA SER 5 HA SER 5 18.287 -8.366 13.132 33 HB2 SER 5 2HB SER 5 20.713 -9.679 14.359 34 HB3 SER 5 1HB SER 5 20.331 -7.956 14.396 35 HG SER 5 HG SER 5 19.699 -9.019 16.326 36 H ALA 6 H ALA 6 19.323 -10.563 11.012 37 HA ALA 6 HA ALA 6 21.610 -9.275 9.885 38 HB1 ALA 6 1HB ALA 6 20.782 -10.617 7.788 39 HB2 ALA 6 2HB ALA 6 21.455 -11.472 9.176 40 HB3 ALA 6 3HB ALA 6 19.706 -11.387 8.955 41 H ALA 7 H ALA 7 18.313 -9.565 8.564 42 HA ALA 7 HA ALA 7 18.524 -7.027 7.225 43 HB1 ALA 7 1HB ALA 7 16.088 -8.754 7.677 44 HB2 ALA 7 2HB ALA 7 16.231 -7.419 6.534 45 HB3 ALA 7 3HB ALA 7 17.180 -8.887 6.298 46 H LYS 8 H LYS 8 18.043 -5.094 8.101 47 HA LYS 8 HA LYS 8 16.449 -5.015 10.558 48 HB2 LYS 8 2HB LYS 8 19.310 -4.463 10.312 49 HB3 LYS 8 1HB LYS 8 18.412 -3.161 11.080 50 HG2 LYS 8 2HG LYS 8 18.127 -6.011 11.971 51 HG3 LYS 8 1HG LYS 8 19.410 -4.963 12.582 52 HD2 LYS 8 2HD LYS 8 16.456 -4.372 12.734 53 HD3 LYS 8 1HD LYS 8 17.431 -5.013 14.057 54 HE2 LYS 8 2HE LYS 8 18.545 -2.606 12.831 55 HE3 LYS 8 1HE LYS 8 16.958 -2.356 13.557 56 HZ1 LYS 8 3HZ LYS 8 18.646 -3.890 15.261 57 HZ2 LYS 8 1HZ LYS 8 17.833 -2.435 15.574 58 HZ3 LYS 8 2HZ LYS 8 19.375 -2.415 14.859 59 H ASN 9 H ASN 9 15.568 -4.301 8.065 60 HA ASN 9 HA ASN 9 15.223 -1.420 8.435 61 HB2 ASN 9 2HB ASN 9 16.286 -0.907 6.537 62 HB3 ASN 9 1HB ASN 9 16.674 -2.604 6.291 63 HD21 ASN 9 1HD2 ASN 9 15.591 -3.756 4.778 64 HD22 ASN 9 2HD2 ASN 9 14.439 -3.067 3.692 65 H ALA 10 H ALA 10 13.157 -0.744 8.188 66 HA ALA 10 HA ALA 10 11.232 -2.543 6.920 67 HB1 ALA 10 1HB ALA 10 9.668 -2.308 8.787 68 HB2 ALA 10 2HB ALA 10 11.164 -3.089 9.295 69 HB3 ALA 10 3HB ALA 10 10.878 -1.395 9.686 70 H LYS 11 H LYS 11 12.161 -0.357 5.675 71 HA LYS 11 HA LYS 11 9.944 1.561 5.914 72 HB2 LYS 11 2HB LYS 11 12.731 2.077 4.847 73 HB3 LYS 11 1HB LYS 11 11.438 3.257 4.978 74 HG2 LYS 11 2HG LYS 11 11.576 2.492 7.535 75 HG3 LYS 11 1HG LYS 11 13.244 2.185 7.044 76 HD2 LYS 11 2HD LYS 11 13.686 4.357 7.177 77 HD3 LYS 11 1HD LYS 11 12.440 4.689 5.970 78 HE2 LYS 11 2HE LYS 11 10.891 5.266 7.524 79 HE3 LYS 11 1HE LYS 11 11.519 4.148 8.731 80 HZ1 LYS 11 3HZ LYS 11 13.526 5.873 8.608 81 HZ2 LYS 11 1HZ LYS 11 12.218 6.057 9.669 82 HZ3 LYS 11 2HZ LYS 11 12.253 6.921 8.210 83 H LEU 12 H LEU 12 9.730 2.764 3.694 84 HA LEU 12 HA LEU 12 9.362 0.798 1.599 85 HB2 LEU 12 2HB LEU 12 8.909 3.776 1.813 86 HB3 LEU 12 1HB LEU 12 8.763 2.942 0.283 87 HG LEU 12 HG LEU 12 6.651 3.465 1.716 88 HD11 LEU 12 1HD1 LEU 12 6.654 2.251 -0.384 89 HD12 LEU 12 2HD1 LEU 12 7.049 0.759 0.474 90 HD13 LEU 12 3HD1 LEU 12 5.505 1.563 0.769 91 HD21 LEU 12 3HD2 LEU 12 7.945 1.747 3.501 92 HD22 LEU 12 1HD2 LEU 12 6.296 2.374 3.599 93 HD23 LEU 12 2HD2 LEU 12 6.606 0.826 2.813 94 H ALA 13 H ALA 13 11.841 0.449 1.967 95 HA ALA 13 HA ALA 13 14.010 0.611 1.314 96 HB1 ALA 13 1HB ALA 13 13.511 0.773 -0.972 97 HB2 ALA 13 2HB ALA 13 12.818 2.387 -0.800 98 HB3 ALA 13 3HB ALA 13 14.560 2.155 -0.651 99 H THR 14 H THR 14 12.479 3.790 1.173 100 HA THR 14 HA THR 14 14.044 4.708 3.441 101 HB THR 14 HB THR 14 14.173 6.935 1.812 102 HG1 THR 14 1HG THR 14 13.913 6.076 -0.130 103 HG21 THR 14 3HG2 THR 14 16.663 5.785 1.511 104 HG22 THR 14 1HG2 THR 14 16.034 4.983 2.949 105 HG23 THR 14 2HG2 THR 14 16.142 6.741 2.899 106 H SER 15 H SER 15 11.552 5.232 1.032 107 HA SER 15 HA SER 15 9.448 6.018 1.120 108 HB2 SER 15 2HB SER 15 8.998 6.397 3.936 109 HB3 SER 15 1HB SER 15 8.302 5.194 2.856 110 HG SER 15 HG SER 15 10.804 4.988 4.176 111 H ALA 16 H ALA 16 11.653 7.923 1.024 112 HA ALA 16 HA ALA 16 11.015 10.152 2.677 113 HB1 ALA 16 1HB ALA 16 12.272 10.491 -0.018 114 HB2 ALA 16 2HB ALA 16 12.616 11.332 1.494 115 HB3 ALA 16 3HB ALA 16 13.154 9.669 1.268 116 H ALA 17 H ALA 17 10.003 9.101 -0.528 117 HA ALA 17 HA ALA 17 8.250 11.399 -0.843 118 HB1 ALA 17 1HB ALA 17 7.649 9.502 -2.810 119 HB2 ALA 17 2HB ALA 17 8.650 10.943 -2.983 120 HB3 ALA 17 3HB ALA 17 9.396 9.396 -2.570 121 H PHE 18 H PHE 18 8.075 8.022 0.042 122 HA PHE 18 HA PHE 18 5.264 7.743 -0.224 123 HB2 PHE 18 2HB PHE 18 6.747 5.806 -0.243 124 HB3 PHE 18 1HB PHE 18 7.238 6.139 1.414 125 HD1 PHE 18 1HD PHE 18 4.396 5.136 -0.712 126 HD2 PHE 18 2HD PHE 18 5.941 5.396 3.242 127 HE1 PHE 18 1HE PHE 18 2.530 3.760 0.111 128 HE2 PHE 18 2HE PHE 18 4.082 4.019 4.066 129 HZ PHE 18 HZ PHE 18 2.371 3.199 2.498 130 H ALA 19 H ALA 19 7.376 8.462 2.520 131 HA ALA 19 HA ALA 19 5.413 8.323 4.533 132 HB1 ALA 19 1HB ALA 19 7.684 8.194 5.174 133 HB2 ALA 19 2HB ALA 19 8.056 9.753 4.439 134 HB3 ALA 19 3HB ALA 19 7.044 9.677 5.883 135 H LYS 20 H LYS 20 5.418 10.452 2.045 136 HA LYS 20 HA LYS 20 4.659 12.859 3.402 137 HB2 LYS 20 2HB LYS 20 5.000 11.960 0.658 138 HB3 LYS 20 1HB LYS 20 3.542 12.925 0.843 139 HG2 LYS 20 2HG LYS 20 4.923 14.650 0.501 140 HG3 LYS 20 1HG LYS 20 5.338 14.431 2.202 141 HD2 LYS 20 2HD LYS 20 6.994 12.633 1.024 142 HD3 LYS 20 1HD LYS 20 6.916 13.885 -0.219 143 HE2 LYS 20 2HE LYS 20 8.587 14.805 0.988 144 HE3 LYS 20 1HE LYS 20 7.261 15.414 1.973 145 HZ1 LYS 20 3HZ LYS 20 9.279 14.114 3.013 146 HZ2 LYS 20 1HZ LYS 20 8.330 12.773 2.612 147 HZ3 LYS 20 2HZ LYS 20 7.707 13.960 3.646 148 H GLN 21 H GLN 21 3.283 9.897 3.040 149 HA GLN 21 HA GLN 21 0.516 10.705 2.887 150 HB2 GLN 21 2HB GLN 21 1.886 8.365 2.358 151 HB3 GLN 21 1HB GLN 21 1.060 8.008 3.873 152 HG2 GLN 21 2HG GLN 21 -0.889 7.812 2.853 153 HG3 GLN 21 1HG GLN 21 -0.669 9.362 2.038 154 HE21 GLN 21 1HE2 GLN 21 0.333 5.962 1.843 155 HE22 GLN 21 2HE2 GLN 21 0.389 5.912 0.123 156 H ALA 22 H ALA 22 2.879 10.624 5.250 157 HA ALA 22 HA ALA 22 0.876 10.496 7.398 158 HB1 ALA 22 1HB ALA 22 3.460 9.373 7.181 159 HB2 ALA 22 2HB ALA 22 3.545 10.632 8.413 160 HB3 ALA 22 3HB ALA 22 2.369 9.327 8.565 161 H GLU 23 H GLU 23 2.160 12.650 5.417 162 HA GLU 23 HA GLU 23 2.480 14.694 7.489 163 HB2 GLU 23 2HB GLU 23 3.618 14.811 4.697 164 HB3 GLU 23 1HB GLU 23 3.933 15.930 6.015 165 HG2 GLU 23 2HG GLU 23 5.292 14.427 7.139 166 HG3 GLU 23 1HG GLU 23 4.648 13.037 6.266 167 H GLY 24 H GLY 24 1.956 14.884 3.982 168 HA2 GLY 24 1HA GLY 24 0.064 16.999 4.212 169 HA3 GLY 24 2HA GLY 24 0.443 16.100 2.746 170 H THR 25 H THR 25 -0.246 13.535 3.522 171 HA THR 25 HA THR 25 -3.133 13.666 3.604 172 HB THR 25 HB THR 25 -1.936 11.012 3.858 173 HG1 THR 25 1HG THR 25 -1.096 12.786 1.797 174 HG21 THR 25 3HG2 THR 25 -3.991 10.776 2.956 175 HG22 THR 25 1HG2 THR 25 -3.182 11.140 1.431 176 HG23 THR 25 2HG2 THR 25 -4.006 12.421 2.319 177 H THR 26 H THR 26 -4.367 13.297 5.402 178 HA THR 26 HA THR 26 -3.002 13.075 7.929 179 HB THR 26 HB THR 26 -5.906 12.856 8.041 180 HG1 THR 26 1HG THR 26 -4.815 15.188 6.780 181 HG21 THR 26 3HG2 THR 26 -3.865 14.846 9.039 182 HG22 THR 26 1HG2 THR 26 -4.644 13.557 9.954 183 HG23 THR 26 2HG2 THR 26 -5.589 14.941 9.406 184 H CYS 27 H CYS 27 -2.152 11.057 8.069 185 HA CYS 27 HA CYS 27 -4.046 8.906 8.622 186 HB2 CYS 27 2HB CYS 27 -1.789 8.749 6.620 187 HB3 CYS 27 1HB CYS 27 -2.449 7.310 7.391 188 H ASN 28 H ASN 28 -2.479 6.918 9.366 189 HA ASN 28 HA ASN 28 -0.693 8.120 11.374 190 HB2 ASN 28 2HB ASN 28 -2.655 6.998 12.338 191 HB3 ASN 28 1HB ASN 28 -2.238 5.513 11.489 192 HD21 ASN 28 1HD2 ASN 28 -1.657 4.117 12.993 193 HD22 ASN 28 2HD2 ASN 28 -0.490 4.401 14.243 194 H VAL 29 H VAL 29 1.316 7.082 11.794 195 HA VAL 29 HA VAL 29 2.585 6.086 9.462 196 HB VAL 29 HB VAL 29 3.680 5.921 12.273 197 HG11 VAL 29 1HG1 VAL 29 5.695 6.552 10.462 198 HG12 VAL 29 2HG1 VAL 29 5.418 4.994 11.242 199 HG13 VAL 29 3HG1 VAL 29 4.728 5.317 9.651 200 HG21 VAL 29 3HG2 VAL 29 4.785 8.157 11.072 201 HG22 VAL 29 1HG2 VAL 29 3.072 8.253 10.658 202 HG23 VAL 29 2HG2 VAL 29 3.568 8.146 12.349 203 H GLY 30 H GLY 30 1.704 4.544 12.541 204 HA2 GLY 30 1HA GLY 30 2.444 1.926 11.602 205 HA3 GLY 30 2HA GLY 30 1.603 2.302 13.100 206 H SER 31 H SER 31 0.258 3.629 10.258 207 HA SER 31 HA SER 31 -1.455 1.378 9.670 208 HB2 SER 31 2HB SER 31 -2.882 3.939 10.318 209 HB3 SER 31 1HB SER 31 -3.502 2.285 10.318 210 HG SER 31 HG SER 31 -1.869 2.061 12.149 211 H ILE 32 H ILE 32 0.532 2.717 8.203 212 HA ILE 32 HA ILE 32 -0.931 4.413 6.331 213 HB ILE 32 HB ILE 32 1.506 4.802 7.379 214 HG12 ILE 32 2HG1 ILE 32 1.496 5.718 4.616 215 HG13 ILE 32 1HG1 ILE 32 -0.056 5.960 5.413 216 HG21 ILE 32 1HG2 ILE 32 1.964 3.055 5.021 217 HG22 ILE 32 2HG2 ILE 32 3.087 4.374 5.354 218 HG23 ILE 32 3HG2 ILE 32 2.813 3.123 6.565 219 HD11 ILE 32 3HD1 ILE 32 2.570 7.227 5.952 220 HD12 ILE 32 1HD1 ILE 32 0.951 7.920 5.977 221 HD13 ILE 32 2HD1 ILE 32 1.508 6.935 7.328 222 H ALA 33 H ALA 33 -1.312 3.831 4.205 223 HA ALA 33 HA ALA 33 -0.316 1.277 3.240 224 HB1 ALA 33 1HB ALA 33 -2.283 0.124 3.204 225 HB2 ALA 33 2HB ALA 33 -2.509 1.068 4.679 226 HB3 ALA 33 3HB ALA 33 -3.270 1.587 3.174 227 H CYS 34 H CYS 34 -1.535 0.765 1.087 228 HA CYS 34 HA CYS 34 -2.048 3.222 -0.448 229 HB2 CYS 34 2HB CYS 34 -0.276 0.901 -1.207 230 HB3 CYS 34 1HB CYS 34 -0.939 2.006 -2.401 231 H CYS 35 H CYS 35 -3.612 3.008 -2.085 232 HA CYS 35 HA CYS 35 -5.084 0.470 -2.174 233 HB2 CYS 35 2HB CYS 35 -5.995 3.052 -1.110 234 HB3 CYS 35 1HB CYS 35 -7.083 2.360 -2.303 235 H ASN 36 H ASN 36 -6.661 0.420 -3.986 236 HA ASN 36 HA ASN 36 -6.322 2.370 -6.105 237 HB2 ASN 36 2HB ASN 36 -4.443 0.614 -6.339 238 HB3 ASN 36 1HB ASN 36 -5.721 -0.503 -6.803 239 HD21 ASN 36 1HD2 ASN 36 -4.160 -0.438 -8.725 240 HD22 ASN 36 2HD2 ASN 36 -4.589 0.667 -9.994 241 H SER 37 H SER 37 -7.788 1.979 -7.905 242 HA SER 37 HA SER 37 -10.394 1.448 -7.150 243 HB2 SER 37 2HB SER 37 -9.389 1.095 -9.975 244 HB3 SER 37 1HB SER 37 -10.945 1.730 -9.437 245 HG SER 37 HG SER 37 -10.089 3.634 -9.378 246 HA PRO 38 HA PRO 38 -10.924 -2.866 -6.795 247 HB2 PRO 38 2HB PRO 38 -13.415 -2.564 -8.394 248 HB3 PRO 38 1HB PRO 38 -13.185 -3.234 -6.777 249 HG2 PRO 38 2HG PRO 38 -14.281 -0.832 -7.122 250 HG3 PRO 38 1HG PRO 38 -13.173 -1.149 -5.771 251 HD2 PRO 38 2HD PRO 38 -12.680 0.297 -8.337 252 HD3 PRO 38 1HD PRO 38 -12.074 0.651 -6.706 253 H ALA 39 H ALA 39 -11.406 -1.492 -10.002 254 HA ALA 39 HA ALA 39 -11.533 -3.944 -11.396 255 HB1 ALA 39 1HB ALA 39 -12.415 -1.863 -12.303 256 HB2 ALA 39 2HB ALA 39 -10.780 -1.210 -12.426 257 HB3 ALA 39 3HB ALA 39 -11.256 -2.598 -13.409 258 H GLU 40 H GLU 40 -8.893 -2.329 -10.008 259 HA GLU 40 HA GLU 40 -6.995 -3.767 -11.741 260 HB2 GLU 40 2HB GLU 40 -6.073 -1.748 -9.752 261 HB3 GLU 40 1HB GLU 40 -5.400 -2.157 -11.323 262 HG2 GLU 40 2HG GLU 40 -7.888 -1.091 -11.910 263 HG3 GLU 40 1HG GLU 40 -7.280 -0.091 -10.590 264 H THR 41 H THR 41 -7.653 -2.912 -8.381 265 HA THR 41 HA THR 41 -5.836 -4.560 -7.106 266 HB THR 41 HB THR 41 -8.606 -4.057 -6.043 267 HG1 THR 41 1HG THR 41 -8.235 -1.992 -6.242 268 HG21 THR 41 3HG2 THR 41 -6.419 -5.252 -4.911 269 HG22 THR 41 1HG2 THR 41 -7.736 -4.489 -4.024 270 HG23 THR 41 2HG2 THR 41 -6.262 -3.583 -4.360 271 H ASN 42 H ASN 42 -8.985 -5.303 -8.464 272 HA ASN 42 HA ASN 42 -8.838 -8.028 -7.384 273 HB2 ASN 42 2HB ASN 42 -10.974 -6.122 -7.861 274 HB3 ASN 42 1HB ASN 42 -11.322 -7.704 -8.545 275 HD21 ASN 42 1HD2 ASN 42 -10.836 -5.871 -5.673 276 HD22 ASN 42 2HD2 ASN 42 -11.332 -7.100 -4.546 277 H ASN 43 H ASN 43 -7.606 -6.769 -9.930 278 HA ASN 43 HA ASN 43 -8.963 -7.814 -12.175 279 HB2 ASN 43 2HB ASN 43 -6.974 -6.077 -11.974 280 HB3 ASN 43 1HB ASN 43 -5.991 -7.513 -12.243 281 HD21 ASN 43 1HD2 ASN 43 -8.334 -5.345 -13.607 282 HD22 ASN 43 2HD2 ASN 43 -8.175 -5.877 -15.247 283 H ASP 44 H ASP 44 -6.811 -9.267 -9.893 284 HA ASP 44 HA ASP 44 -6.815 -11.742 -11.490 285 HB2 ASP 44 2HB ASP 44 -4.559 -10.568 -11.049 286 HB3 ASP 44 1HB ASP 44 -4.756 -11.109 -9.383 287 H SER 45 H SER 45 -7.234 -13.678 -10.425 288 HA SER 45 HA SER 45 -8.992 -13.516 -8.197 289 HB2 SER 45 2HB SER 45 -8.109 -16.198 -8.605 290 HB3 SER 45 1HB SER 45 -9.644 -15.467 -9.084 291 HG SER 45 HG SER 45 -7.642 -16.254 -10.648 292 H LEU 46 H LEU 46 -5.593 -14.078 -8.559 293 HA LEU 46 HA LEU 46 -5.312 -15.043 -5.823 294 HB2 LEU 46 2HB LEU 46 -3.940 -16.020 -7.616 295 HB3 LEU 46 1HB LEU 46 -3.234 -14.449 -7.933 296 HG LEU 46 HG LEU 46 -2.514 -14.580 -5.416 297 HD11 LEU 46 1HD1 LEU 46 -3.364 -16.479 -4.519 298 HD12 LEU 46 2HD1 LEU 46 -3.386 -17.333 -6.061 299 HD13 LEU 46 3HD1 LEU 46 -1.874 -17.158 -5.171 300 HD21 LEU 46 3HD2 LEU 46 -0.501 -14.741 -6.338 301 HD22 LEU 46 1HD2 LEU 46 -0.783 -16.417 -6.804 302 HD23 LEU 46 2HD2 LEU 46 -1.291 -15.107 -7.872 303 H LEU 47 H LEU 47 -5.133 -12.141 -7.652 304 HA LEU 47 HA LEU 47 -3.405 -10.588 -6.085 305 HB2 LEU 47 2HB LEU 47 -5.132 -10.192 -8.285 306 HB3 LEU 47 1HB LEU 47 -5.590 -9.005 -7.079 307 HG LEU 47 HG LEU 47 -2.829 -9.367 -8.253 308 HD11 LEU 47 1HD1 LEU 47 -5.149 -7.762 -8.990 309 HD12 LEU 47 2HD1 LEU 47 -3.672 -6.816 -8.793 310 HD13 LEU 47 3HD1 LEU 47 -3.710 -8.171 -9.923 311 HD21 LEU 47 3HD2 LEU 47 -3.794 -7.953 -5.883 312 HD22 LEU 47 1HD2 LEU 47 -2.157 -8.422 -6.338 313 HD23 LEU 47 2HD2 LEU 47 -2.867 -6.945 -6.991 314 H SER 48 H SER 48 -6.915 -11.064 -5.877 315 HA SER 48 HA SER 48 -7.318 -9.266 -3.744 316 HB2 SER 48 2HB SER 48 -9.355 -11.133 -3.561 317 HB3 SER 48 1HB SER 48 -9.366 -9.689 -4.579 318 HG SER 48 HG SER 48 -9.434 -11.003 -6.201 319 H GLY 49 H GLY 49 -6.461 -12.670 -3.874 320 HA2 GLY 49 1HA GLY 49 -6.721 -13.127 -1.047 321 HA3 GLY 49 2HA GLY 49 -5.917 -14.181 -2.204 322 H LEU 50 H LEU 50 -4.312 -11.801 -3.118 323 HA LEU 50 HA LEU 50 -2.095 -12.155 -1.339 324 HB2 LEU 50 2HB LEU 50 -2.531 -11.183 -3.980 325 HB3 LEU 50 1HB LEU 50 -1.717 -9.919 -3.080 326 HG LEU 50 HG LEU 50 -0.004 -11.681 -2.426 327 HD11 LEU 50 1HD1 LEU 50 -0.824 -13.751 -2.889 328 HD12 LEU 50 2HD1 LEU 50 -1.709 -13.208 -4.311 329 HD13 LEU 50 3HD1 LEU 50 0.035 -13.447 -4.398 330 HD21 LEU 50 3HD2 LEU 50 -0.211 -9.991 -4.610 331 HD22 LEU 50 1HD2 LEU 50 1.252 -10.780 -4.028 332 HD23 LEU 50 2HD2 LEU 50 0.296 -11.530 -5.305 333 H LEU 51 H LEU 51 -4.651 -9.888 -1.758 334 HA LEU 51 HA LEU 51 -3.551 -7.688 -0.365 335 HB2 LEU 51 2HB LEU 51 -6.153 -8.492 -1.429 336 HB3 LEU 51 1HB LEU 51 -6.277 -7.528 0.029 337 HG LEU 51 HG LEU 51 -6.352 -5.886 -1.569 338 HD11 LEU 51 1HD1 LEU 51 -3.432 -5.811 -1.734 339 HD12 LEU 51 2HD1 LEU 51 -4.567 -4.616 -1.102 340 HD13 LEU 51 3HD1 LEU 51 -4.067 -5.975 -0.098 341 HD21 LEU 51 3HD2 LEU 51 -4.346 -6.334 -3.456 342 HD22 LEU 51 1HD2 LEU 51 -5.112 -7.901 -3.202 343 HD23 LEU 51 2HD2 LEU 51 -6.087 -6.510 -3.682 344 H GLY 52 H GLY 52 -5.465 -10.472 0.631 345 HA2 GLY 52 1HA GLY 52 -5.459 -9.564 3.400 346 HA3 GLY 52 2HA GLY 52 -6.306 -10.967 2.769 347 H ALA 53 H ALA 53 -3.018 -9.742 3.395 348 HA ALA 53 HA ALA 53 -1.855 -12.350 3.352 349 HB1 ALA 53 1HB ALA 53 -0.811 -9.879 3.147 350 HB2 ALA 53 2HB ALA 53 -0.472 -10.207 4.845 351 HB3 ALA 53 3HB ALA 53 0.139 -11.295 3.600 352 H GLY 54 H GLY 54 -3.630 -10.576 5.614 353 HA2 GLY 54 1HA GLY 54 -3.146 -12.635 7.644 354 HA3 GLY 54 2HA GLY 54 -2.958 -10.942 8.093 355 H LEU 55 H LEU 55 -5.325 -12.596 6.044 356 HA LEU 55 HA LEU 55 -7.595 -12.502 5.966 357 HB2 LEU 55 2HB LEU 55 -6.913 -12.884 8.809 358 HB3 LEU 55 1HB LEU 55 -8.541 -12.313 8.507 359 HG LEU 55 HG LEU 55 -7.380 -14.779 7.220 360 HD11 LEU 55 1HD1 LEU 55 -7.530 -14.910 9.714 361 HD12 LEU 55 2HD1 LEU 55 -9.268 -14.660 9.559 362 HD13 LEU 55 3HD1 LEU 55 -8.516 -16.090 8.850 363 HD21 LEU 55 3HD2 LEU 55 -9.407 -15.110 6.249 364 HD22 LEU 55 1HD2 LEU 55 -10.287 -14.327 7.560 365 HD23 LEU 55 2HD2 LEU 55 -9.460 -13.351 6.348 366 H LEU 56 H LEU 56 -6.647 -10.161 5.300 367 HA LEU 56 HA LEU 56 -7.702 -8.057 6.997 368 HB2 LEU 56 2HB LEU 56 -6.242 -7.935 4.365 369 HB3 LEU 56 1HB LEU 56 -6.751 -6.537 5.289 370 HG LEU 56 HG LEU 56 -5.008 -8.566 6.598 371 HD11 LEU 56 1HD1 LEU 56 -3.693 -8.302 4.723 372 HD12 LEU 56 2HD1 LEU 56 -4.225 -6.644 4.450 373 HD13 LEU 56 3HD1 LEU 56 -3.102 -7.004 5.762 374 HD21 LEU 56 3HD2 LEU 56 -5.425 -7.020 8.176 375 HD22 LEU 56 1HD2 LEU 56 -4.174 -6.101 7.341 376 HD23 LEU 56 2HD2 LEU 56 -5.876 -5.788 6.999 377 H ASN 57 H ASN 57 -8.816 -6.225 5.855 378 HA ASN 57 HA ASN 57 -10.836 -7.243 3.970 379 HB2 ASN 57 2HB ASN 57 -11.037 -5.565 6.381 380 HB3 ASN 57 1HB ASN 57 -11.864 -4.895 4.982 381 HD21 ASN 57 1HD2 ASN 57 -12.432 -6.526 7.644 382 HD22 ASN 57 2HD2 ASN 57 -13.720 -7.567 7.142 383 H GLY 58 H GLY 58 -11.791 -5.058 2.868 384 HA2 GLY 58 1HA GLY 58 -9.433 -3.852 1.584 385 HA3 GLY 58 2HA GLY 58 -11.053 -3.917 0.900 386 H LEU 59 H LEU 59 -11.579 -1.837 0.613 387 HA LEU 59 HA LEU 59 -11.135 0.225 2.514 388 HB2 LEU 59 2HB LEU 59 -12.045 0.110 -0.071 389 HB3 LEU 59 1HB LEU 59 -13.523 0.444 0.806 390 HG LEU 59 HG LEU 59 -11.200 2.169 1.434 391 HD11 LEU 59 1HD1 LEU 59 -12.741 2.460 -1.133 392 HD12 LEU 59 2HD1 LEU 59 -11.502 3.552 -0.514 393 HD13 LEU 59 3HD1 LEU 59 -11.067 1.917 -1.012 394 HD21 LEU 59 3HD2 LEU 59 -13.415 2.427 2.491 395 HD22 LEU 59 1HD2 LEU 59 -12.916 3.858 1.589 396 HD23 LEU 59 2HD2 LEU 59 -14.106 2.751 0.902 397 H SER 60 H SER 60 -12.778 1.216 3.867 398 HA SER 60 HA SER 60 -14.012 -0.543 5.579 399 HB2 SER 60 2HB SER 60 -14.283 1.342 6.769 400 HB3 SER 60 1HB SER 60 -13.683 2.243 5.383 401 HG SER 60 HG SER 60 -16.124 1.867 4.750 402 H GLY 61 H GLY 61 -15.458 -2.043 4.973 403 HA2 GLY 61 1HA GLY 61 -17.428 -2.977 4.244 404 HA3 GLY 61 2HA GLY 61 -18.125 -1.367 4.344 405 H ASN 62 H ASN 62 -15.405 -2.258 2.318 406 HA ASN 62 HA ASN 62 -17.085 -1.798 -0.054 407 HB2 ASN 62 2HB ASN 62 -15.700 0.171 0.488 408 HB3 ASN 62 1HB ASN 62 -14.262 -0.834 0.431 409 HD21 ASN 62 1HD2 ASN 62 -15.946 1.376 -1.178 410 HD22 ASN 62 2HD2 ASN 62 -15.454 1.019 -2.790 411 H THR 63 H THR 63 -17.260 -3.858 -0.774 412 HA THR 63 HA THR 63 -14.988 -5.634 -0.838 413 HB THR 63 HB THR 63 -17.190 -6.534 -2.461 414 HG1 THR 63 1HG THR 63 -18.857 -5.940 -1.298 415 HG21 THR 63 3HG2 THR 63 -15.469 -7.898 -1.221 416 HG22 THR 63 1HG2 THR 63 -17.139 -8.421 -0.996 417 HG23 THR 63 2HG2 THR 63 -16.329 -7.495 0.268 418 H GLY 64 H GLY 64 -13.642 -4.200 -2.160 419 HA2 GLY 64 1HA GLY 64 -13.471 -5.081 -4.815 420 HA3 GLY 64 2HA GLY 64 -14.268 -3.513 -4.817 421 H SER 65 H SER 65 -13.045 -1.996 -3.097 422 HA SER 65 HA SER 65 -10.315 -1.825 -4.083 423 HB2 SER 65 2HB SER 65 -12.162 0.019 -2.603 424 HB3 SER 65 1HB SER 65 -10.422 0.304 -2.538 425 HG SER 65 HG SER 65 -10.383 0.551 -4.741 426 H ALA 66 H ALA 66 -8.566 -2.424 -2.920 427 HA ALA 66 HA ALA 66 -8.916 -2.886 -0.040 428 HB1 ALA 66 1HB ALA 66 -8.929 -5.087 -0.556 429 HB2 ALA 66 2HB ALA 66 -8.140 -4.835 -2.111 430 HB3 ALA 66 3HB ALA 66 -7.182 -4.855 -0.634 431 H CYS 67 H CYS 67 -6.918 -2.837 1.174 432 HA CYS 67 HA CYS 67 -4.937 -1.091 -0.138 433 HB2 CYS 67 2HB CYS 67 -6.490 -0.764 2.311 434 HB3 CYS 67 1HB CYS 67 -4.764 -0.547 2.568 435 H ALA 68 H ALA 68 -2.855 -1.571 0.064 436 HA ALA 68 HA ALA 68 -2.142 -3.908 1.701 437 HB1 ALA 68 1HB ALA 68 -0.239 -4.207 0.251 438 HB2 ALA 68 2HB ALA 68 -1.691 -4.053 -0.735 439 HB3 ALA 68 3HB ALA 68 -0.586 -2.690 -0.577 440 H LYS 69 H LYS 69 -0.346 -3.823 3.061 441 HA LYS 69 HA LYS 69 0.414 -1.110 3.891 442 HB2 LYS 69 2HB LYS 69 0.080 -3.718 5.294 443 HB3 LYS 69 1HB LYS 69 1.327 -2.638 5.896 444 HG2 LYS 69 2HG LYS 69 -0.583 -2.182 7.175 445 HG3 LYS 69 1HG LYS 69 -0.454 -0.853 6.023 446 HD2 LYS 69 2HD LYS 69 -2.769 -1.693 6.282 447 HD3 LYS 69 1HD LYS 69 -2.167 -1.831 4.631 448 HE2 LYS 69 2HE LYS 69 -2.032 -4.131 4.735 449 HE3 LYS 69 1HE LYS 69 -1.861 -4.144 6.489 450 HZ1 LYS 69 3HZ LYS 69 -4.371 -3.411 5.084 451 HZ2 LYS 69 1HZ LYS 69 -4.161 -3.666 6.747 452 HZ3 LYS 69 2HZ LYS 69 -4.030 -4.962 5.664 453 H ALA 70 H ALA 70 2.722 -0.970 4.778 454 HA ALA 70 HA ALA 70 4.554 -1.635 2.772 455 HB1 ALA 70 1HB ALA 70 4.777 -0.574 5.534 456 HB2 ALA 70 2HB ALA 70 6.240 -1.170 4.747 457 HB3 ALA 70 3HB ALA 70 5.303 0.127 4.004 458 H SER 71 H SER 71 3.708 -3.258 5.776 459 HA SER 71 HA SER 71 5.702 -5.233 5.760 460 HB2 SER 71 2HB SER 71 3.429 -6.411 6.864 461 HB3 SER 71 1HB SER 71 4.657 -5.493 7.738 462 HG SER 71 HG SER 71 2.455 -4.724 8.011 463 H LEU 72 H LEU 72 2.785 -4.840 3.939 464 HA LEU 72 HA LEU 72 2.609 -7.591 3.078 465 HB2 LEU 72 2HB LEU 72 1.012 -5.160 2.859 466 HB3 LEU 72 1HB LEU 72 1.033 -6.100 1.380 467 HG LEU 72 HG LEU 72 0.298 -8.091 2.711 468 HD11 LEU 72 1HD1 LEU 72 -0.648 -7.714 4.920 469 HD12 LEU 72 2HD1 LEU 72 1.073 -7.336 4.898 470 HD13 LEU 72 3HD1 LEU 72 -0.117 -6.034 4.877 471 HD21 LEU 72 3HD2 LEU 72 -1.969 -7.510 2.665 472 HD22 LEU 72 1HD2 LEU 72 -1.633 -5.810 2.999 473 HD23 LEU 72 2HD2 LEU 72 -1.218 -6.501 1.431 474 H ILE 73 H ILE 73 4.059 -4.642 2.015 475 HA ILE 73 HA ILE 73 4.308 -5.197 -0.728 476 HB ILE 73 HB ILE 73 5.507 -3.273 1.163 477 HG12 ILE 73 2HG1 ILE 73 5.170 -2.160 -1.392 478 HG13 ILE 73 1HG1 ILE 73 3.857 -3.316 -1.208 479 HG21 ILE 73 1HG2 ILE 73 6.980 -2.798 -1.166 480 HG22 ILE 73 2HG2 ILE 73 7.597 -3.303 0.405 481 HG23 ILE 73 3HG2 ILE 73 7.194 -4.512 -0.814 482 HD11 ILE 73 3HD1 ILE 73 4.498 -1.038 0.656 483 HD12 ILE 73 1HD1 ILE 73 3.158 -1.111 -0.488 484 HD13 ILE 73 2HD1 ILE 73 3.204 -2.209 0.889 485 H ASP 74 H ASP 74 6.283 -6.028 2.054 486 HA ASP 74 HA ASP 74 8.087 -7.578 0.342 487 HB2 ASP 74 2HB ASP 74 8.722 -5.972 2.411 488 HB3 ASP 74 1HB ASP 74 8.530 -7.496 3.273 489 H GLN 75 H GLN 75 5.217 -8.070 1.653 490 HA GLN 75 HA GLN 75 5.752 -10.690 2.837 491 HB2 GLN 75 2HB GLN 75 3.935 -8.734 3.484 492 HB3 GLN 75 1HB GLN 75 2.952 -9.865 2.566 493 HG2 GLN 75 2HG GLN 75 3.041 -10.187 5.068 494 HG3 GLN 75 1HG GLN 75 3.348 -11.603 4.066 495 HE21 GLN 75 1HE2 GLN 75 5.399 -8.892 5.054 496 HE22 GLN 75 2HE2 GLN 75 6.630 -9.874 5.766 497 H LEU 76 H LEU 76 3.680 -9.265 0.334 498 HA LEU 76 HA LEU 76 3.600 -11.914 -0.948 499 HB2 LEU 76 2HB LEU 76 1.426 -10.123 -0.132 500 HB3 LEU 76 1HB LEU 76 1.294 -10.701 -1.781 501 HG LEU 76 HG LEU 76 0.048 -12.247 -0.570 502 HD11 LEU 76 1HD1 LEU 76 2.586 -13.766 -0.313 503 HD12 LEU 76 2HD1 LEU 76 1.053 -14.228 -1.049 504 HD13 LEU 76 3HD1 LEU 76 2.154 -13.160 -1.912 505 HD21 LEU 76 3HD2 LEU 76 2.229 -12.387 1.511 506 HD22 LEU 76 1HD2 LEU 76 0.768 -11.410 1.651 507 HD23 LEU 76 2HD2 LEU 76 0.646 -13.167 1.569 508 H GLY 77 H GLY 77 3.764 -8.446 -1.332 509 HA2 GLY 77 1HA GLY 77 4.874 -7.361 -3.094 510 HA3 GLY 77 2HA GLY 77 4.838 -8.860 -4.011 511 H LEU 78 H LEU 78 2.329 -6.852 -2.505 512 HA LEU 78 HA LEU 78 0.360 -7.325 -4.417 513 HB2 LEU 78 2HB LEU 78 0.817 -5.215 -2.350 514 HB3 LEU 78 1HB LEU 78 -0.486 -5.002 -3.504 515 HG LEU 78 HG LEU 78 -1.414 -5.967 -1.541 516 HD11 LEU 78 1HD1 LEU 78 -2.631 -7.002 -3.135 517 HD12 LEU 78 2HD1 LEU 78 -1.208 -7.636 -3.962 518 HD13 LEU 78 3HD1 LEU 78 -1.818 -8.438 -2.518 519 HD21 LEU 78 3HD2 LEU 78 0.936 -7.798 -1.701 520 HD22 LEU 78 1HD2 LEU 78 0.343 -6.854 -0.334 521 HD23 LEU 78 2HD2 LEU 78 -0.528 -8.298 -0.854 522 H LEU 79 H LEU 79 0.455 -6.842 -6.519 523 HA LEU 79 HA LEU 79 2.024 -4.534 -7.386 524 HB2 LEU 79 2HB LEU 79 1.506 -5.575 -9.695 525 HB3 LEU 79 1HB LEU 79 2.651 -6.380 -8.639 526 HG LEU 79 HG LEU 79 0.039 -7.420 -8.111 527 HD11 LEU 79 1HD1 LEU 79 0.834 -7.699 -10.998 528 HD12 LEU 79 2HD1 LEU 79 -0.625 -8.299 -10.207 529 HD13 LEU 79 3HD1 LEU 79 -0.395 -6.565 -10.434 530 HD21 LEU 79 3HD2 LEU 79 1.185 -9.511 -9.034 531 HD22 LEU 79 1HD2 LEU 79 2.617 -8.495 -9.193 532 HD23 LEU 79 2HD2 LEU 79 1.888 -8.747 -7.608 533 H ALA 80 H ALA 80 -0.982 -4.832 -6.363 534 HA ALA 80 HA ALA 80 -2.384 -3.678 -8.634 535 HB1 ALA 80 1HB ALA 80 -3.253 -5.444 -6.883 536 HB2 ALA 80 2HB ALA 80 -3.691 -3.991 -5.983 537 HB3 ALA 80 3HB ALA 80 -4.339 -4.253 -7.603 538 H LEU 81 H LEU 81 -1.298 -2.693 -5.409 539 HA LEU 81 HA LEU 81 -2.665 -0.123 -5.755 540 HB2 LEU 81 2HB LEU 81 -1.319 -1.216 -3.286 541 HB3 LEU 81 1HB LEU 81 -2.265 0.251 -3.383 542 HG LEU 81 HG LEU 81 -3.909 -1.014 -2.548 543 HD11 LEU 81 1HD1 LEU 81 -4.886 -2.648 -4.457 544 HD12 LEU 81 2HD1 LEU 81 -5.195 -0.913 -4.383 545 HD13 LEU 81 3HD1 LEU 81 -3.928 -1.536 -5.438 546 HD21 LEU 81 3HD2 LEU 81 -3.563 -3.661 -3.402 547 HD22 LEU 81 1HD2 LEU 81 -1.970 -3.042 -2.962 548 HD23 LEU 81 2HD2 LEU 81 -3.297 -2.979 -1.799 549 H VAL 82 H VAL 82 0.316 -1.354 -6.397 550 HA VAL 82 HA VAL 82 1.708 1.081 -5.515 551 HB VAL 82 HB VAL 82 3.133 -1.435 -6.344 552 HG11 VAL 82 1HG1 VAL 82 3.983 1.107 -5.602 553 HG12 VAL 82 2HG1 VAL 82 4.264 0.110 -4.176 554 HG13 VAL 82 3HG1 VAL 82 4.976 -0.345 -5.723 555 HG21 VAL 82 3HG2 VAL 82 2.315 -2.541 -4.598 556 HG22 VAL 82 1HG2 VAL 82 3.136 -1.377 -3.556 557 HG23 VAL 82 2HG2 VAL 82 1.454 -1.112 -4.021 558 H ASP 83 H ASP 83 2.766 2.333 -6.920 559 HA ASP 83 HA ASP 83 2.719 1.506 -9.747 560 HB2 ASP 83 2HB ASP 83 1.150 3.426 -9.005 561 HB3 ASP 83 1HB ASP 83 2.617 4.389 -8.893 562 H HIS 84 H HIS 84 4.235 2.973 -11.040 563 HA HIS 84 HA HIS 84 6.875 2.378 -10.329 564 HB2 HIS 84 2HB HIS 84 7.527 3.662 -12.278 565 HB3 HIS 84 1HB HIS 84 6.091 2.725 -12.661 566 HD1 HIS 84 1HD HIS 84 7.309 6.233 -12.270 567 HD2 HIS 84 2HD HIS 84 3.773 4.248 -13.166 568 HE1 HIS 84 1HE HIS 84 5.734 8.006 -13.090 569 HE2 HIS 84 2HE HIS 84 3.649 6.762 -13.774 570 H THR 85 H THR 85 8.529 3.568 -9.473 571 HA THR 85 HA THR 85 7.984 6.287 -8.566 572 HB THR 85 HB THR 85 7.271 4.930 -6.706 573 HG1 THR 85 1HG THR 85 8.663 5.743 -5.125 574 HG21 THR 85 3HG2 THR 85 9.418 3.248 -7.557 575 HG22 THR 85 1HG2 THR 85 8.130 2.904 -6.402 576 HG23 THR 85 2HG2 THR 85 9.634 3.641 -5.851 577 H GLU 86 H GLU 86 9.915 7.399 -7.830 578 HA GLU 86 HA GLU 86 12.398 6.240 -8.904 579 HB2 GLU 86 2HB GLU 86 11.201 8.922 -9.115 580 HB3 GLU 86 1HB GLU 86 12.914 8.913 -8.725 581 HG2 GLU 86 2HG GLU 86 11.801 7.339 -11.016 582 HG3 GLU 86 1HG GLU 86 12.281 9.027 -11.179 583 H GLU 87 H GLU 87 10.971 6.261 -6.198 584 HA GLU 87 HA GLU 87 13.395 6.831 -4.654 585 HB2 GLU 87 2HB GLU 87 11.608 8.726 -4.557 586 HB3 GLU 87 1HB GLU 87 10.698 7.596 -3.566 587 HG2 GLU 87 2HG GLU 87 13.508 8.055 -2.781 588 HG3 GLU 87 1HG GLU 87 12.393 9.404 -2.566 589 H GLY 88 H GLY 88 10.336 6.201 -3.196 590 HA2 GLY 88 1HA GLY 88 11.028 3.344 -2.899 591 HA3 GLY 88 2HA GLY 88 10.306 4.291 -1.597 592 HA PRO 89 HA PRO 89 7.244 2.114 -4.702 593 HB2 PRO 89 2HB PRO 89 6.448 0.786 -2.153 594 HB3 PRO 89 1HB PRO 89 6.551 0.120 -3.785 595 HG2 PRO 89 2HG PRO 89 8.415 -0.456 -1.978 596 HG3 PRO 89 1HG PRO 89 8.849 -0.168 -3.675 597 HD2 PRO 89 2HD PRO 89 9.162 1.621 -1.302 598 HD3 PRO 89 1HD PRO 89 10.235 1.408 -2.699 599 H VAL 90 H VAL 90 5.398 3.240 -5.059 600 HA VAL 90 HA VAL 90 4.192 4.602 -2.742 601 HB VAL 90 HB VAL 90 3.702 6.536 -4.223 602 HG11 VAL 90 1HG1 VAL 90 6.627 6.339 -4.467 603 HG12 VAL 90 2HG1 VAL 90 5.630 7.543 -3.646 604 HG13 VAL 90 3HG1 VAL 90 5.982 6.002 -2.858 605 HG21 VAL 90 3HG2 VAL 90 5.737 5.767 -6.202 606 HG22 VAL 90 1HG2 VAL 90 4.228 4.860 -6.288 607 HG23 VAL 90 2HG2 VAL 90 4.208 6.618 -6.418 608 H CYS 91 H CYS 91 1.912 5.195 -3.028 609 HA CYS 91 HA CYS 91 0.389 3.079 -4.113 610 HB2 CYS 91 2HB CYS 91 -0.820 5.757 -3.550 611 HB3 CYS 91 1HB CYS 91 -1.470 4.155 -3.229 612 H LYS 92 H LYS 92 -0.880 2.938 -5.871 613 HA LYS 92 HA LYS 92 0.036 4.300 -8.203 614 HB2 LYS 92 2HB LYS 92 -0.707 1.869 -7.977 615 HB3 LYS 92 1HB LYS 92 -2.354 2.481 -7.988 616 HG2 LYS 92 2HG LYS 92 -2.345 2.509 -10.200 617 HG3 LYS 92 1HG LYS 92 -0.966 3.610 -10.197 618 HD2 LYS 92 2HD LYS 92 0.582 1.856 -10.277 619 HD3 LYS 92 1HD LYS 92 -0.619 0.655 -9.798 620 HE2 LYS 92 2HE LYS 92 -0.458 0.243 -12.057 621 HE3 LYS 92 1HE LYS 92 -1.782 1.404 -12.035 622 HZ1 LYS 92 3HZ LYS 92 0.938 2.455 -12.267 623 HZ2 LYS 92 1HZ LYS 92 -0.505 3.011 -12.968 624 HZ3 LYS 92 2HZ LYS 92 0.291 1.664 -13.620 625 H ASN 93 H ASN 93 -2.843 4.463 -6.200 626 HA ASN 93 HA ASN 93 -3.794 6.740 -7.746 627 HB2 ASN 93 2HB ASN 93 -5.047 4.061 -7.732 628 HB3 ASN 93 1HB ASN 93 -6.142 5.422 -7.541 629 HD21 ASN 93 1HD2 ASN 93 -5.192 3.389 -9.725 630 HD22 ASN 93 2HD2 ASN 93 -5.111 4.384 -11.141 631 H ILE 94 H ILE 94 -5.203 4.521 -5.330 632 HA ILE 94 HA ILE 94 -6.390 6.836 -4.047 633 HB ILE 94 HB ILE 94 -6.746 3.899 -3.443 634 HG12 ILE 94 2HG1 ILE 94 -8.569 5.815 -4.913 635 HG13 ILE 94 1HG1 ILE 94 -7.534 4.623 -5.692 636 HG21 ILE 94 1HG2 ILE 94 -7.268 5.943 -1.744 637 HG22 ILE 94 2HG2 ILE 94 -8.801 5.830 -2.610 638 HG23 ILE 94 3HG2 ILE 94 -8.155 4.422 -1.771 639 HD11 ILE 94 3HD1 ILE 94 -9.453 3.678 -3.636 640 HD12 ILE 94 1HD1 ILE 94 -10.075 4.157 -5.215 641 HD13 ILE 94 2HD1 ILE 94 -8.866 2.878 -5.095 642 H VAL 95 H VAL 95 -5.612 7.781 -2.333 643 HA VAL 95 HA VAL 95 -3.545 6.506 -0.732 644 HB VAL 95 HB VAL 95 -3.336 8.708 0.391 645 HG11 VAL 95 1HG1 VAL 95 -1.894 9.330 -1.185 646 HG12 VAL 95 2HG1 VAL 95 -2.543 8.015 -2.168 647 HG13 VAL 95 3HG1 VAL 95 -3.188 9.646 -2.343 648 HG21 VAL 95 3HG2 VAL 95 -4.681 10.425 -1.375 649 HG22 VAL 95 1HG2 VAL 95 -5.858 9.199 -0.901 650 HG23 VAL 95 2HG2 VAL 95 -5.031 10.154 0.330 651 H ALA 96 H ALA 96 -3.932 5.668 1.241 652 HA ALA 96 HA ALA 96 -6.302 6.379 2.735 653 HB1 ALA 96 1HB ALA 96 -7.580 4.579 2.343 654 HB2 ALA 96 2HB ALA 96 -6.607 4.396 0.882 655 HB3 ALA 96 3HB ALA 96 -6.199 3.480 2.333 656 H CYS 97 H CYS 97 -6.310 5.495 4.876 657 HA CYS 97 HA CYS 97 -3.696 4.458 5.717 658 HB2 CYS 97 2HB CYS 97 -5.440 5.196 7.901 659 HB3 CYS 97 1HB CYS 97 -3.819 5.770 7.523 660 H CYS 98 H CYS 98 -3.537 2.476 6.638 661 HA CYS 98 HA CYS 98 -5.980 0.956 7.162 662 HB2 CYS 98 2HB CYS 98 -5.379 0.730 4.729 663 HB3 CYS 98 1HB CYS 98 -3.863 -0.005 5.230 664 HA PRO 99 HA PRO 99 -3.141 -0.767 10.152 665 HB2 PRO 99 2HB PRO 99 -4.874 -2.242 11.521 666 HB3 PRO 99 1HB PRO 99 -4.991 -0.478 11.544 667 HG2 PRO 99 2HG PRO 99 -6.581 -2.454 9.953 668 HG3 PRO 99 1HG PRO 99 -7.143 -1.027 10.844 669 HD2 PRO 99 2HD PRO 99 -6.661 -1.076 8.128 670 HD3 PRO 99 1HD PRO 99 -6.639 0.394 9.121 671 H GLU 100 H GLU 100 -2.137 -2.798 10.555 672 HA GLU 100 HA GLU 100 -2.733 -4.871 8.575 673 HB2 GLU 100 2HB GLU 100 -0.326 -3.774 9.266 674 HB3 GLU 100 1HB GLU 100 -0.353 -5.204 10.292 675 HG2 GLU 100 2HG GLU 100 -0.526 -5.086 7.290 676 HG3 GLU 100 1HG GLU 100 0.758 -5.784 8.277 677 H GLY 101 H GLY 101 -3.690 -6.694 9.157 678 HA2 GLY 101 1HA GLY 101 -3.868 -8.603 10.549 679 HA3 GLY 101 2HA GLY 101 -3.405 -7.605 11.915 680 H THR 102 H THR 102 -5.613 -5.735 10.392 681 HA THR 102 HA THR 102 -7.898 -7.006 11.689 682 HB THR 102 HB THR 102 -8.081 -4.420 12.668 683 HG1 THR 102 1HG THR 102 -5.422 -5.208 12.427 684 HG21 THR 102 3HG2 THR 102 -7.656 -5.496 14.850 685 HG22 THR 102 1HG2 THR 102 -7.063 -6.927 14.003 686 HG23 THR 102 2HG2 THR 102 -8.751 -6.440 13.840 687 H THR 103 H THR 103 -9.494 -6.911 10.367 688 HA THR 103 HA THR 103 -11.040 -6.195 8.859 689 HB THR 103 HB THR 103 -11.151 -3.529 10.124 690 HG1 THR 103 1HG THR 103 -12.099 -5.376 11.865 691 HG21 THR 103 3HG2 THR 103 -12.955 -4.550 8.704 692 HG22 THR 103 1HG2 THR 103 -13.487 -4.046 10.309 693 HG23 THR 103 2HG2 THR 103 -13.193 -5.753 9.973 694 H ASN 104 H ASN 104 -11.141 -2.982 8.724 695 HA ASN 104 HA ASN 104 -10.033 -3.179 6.005 696 HB2 ASN 104 2HB ASN 104 -11.881 -1.473 5.466 697 HB3 ASN 104 1HB ASN 104 -12.353 -3.144 5.726 698 HD21 ASN 104 1HD2 ASN 104 -11.528 -0.803 8.243 699 HD22 ASN 104 2HD2 ASN 104 -13.103 -0.767 8.950 700 H CYS 105 H CYS 105 -10.103 -0.857 4.994 701 HA CYS 105 HA CYS 105 -8.456 0.845 6.747 702 HB2 CYS 105 2HB CYS 105 -8.129 0.983 3.802 703 HB3 CYS 105 1HB CYS 105 -6.916 1.048 5.076 704 H VAL 106 H VAL 106 -8.547 3.128 6.351 705 HA VAL 106 HA VAL 106 -11.122 3.963 5.225 706 HB VAL 106 HB VAL 106 -11.160 5.811 6.663 707 HG11 VAL 106 1HG1 VAL 106 -9.753 3.714 8.299 708 HG12 VAL 106 2HG1 VAL 106 -10.901 4.928 8.870 709 HG13 VAL 106 3HG1 VAL 106 -11.447 3.625 7.811 710 HG21 VAL 106 3HG2 VAL 106 -8.664 6.334 6.159 711 HG22 VAL 106 1HG2 VAL 106 -9.377 6.872 7.681 712 HG23 VAL 106 2HG2 VAL 106 -8.362 5.428 7.644 713 H ALA 107 H ALA 107 -11.256 5.504 3.649 714 HA ALA 107 HA ALA 107 -8.697 6.058 2.296 715 HB1 ALA 107 1HB ALA 107 -11.433 5.473 1.323 716 HB2 ALA 107 2HB ALA 107 -10.458 6.602 0.380 717 HB3 ALA 107 3HB ALA 107 -9.867 4.969 0.687 718 H VAL 108 H VAL 108 -8.152 8.111 1.632 719 HA VAL 108 HA VAL 108 -9.897 10.274 2.622 720 HB VAL 108 HB VAL 108 -7.548 11.505 2.782 721 HG11 VAL 108 1HG1 VAL 108 -8.893 11.516 4.676 722 HG12 VAL 108 2HG1 VAL 108 -8.928 9.754 4.782 723 HG13 VAL 108 3HG1 VAL 108 -7.461 10.636 5.215 724 HG21 VAL 108 3HG2 VAL 108 -6.764 8.855 2.273 725 HG22 VAL 108 1HG2 VAL 108 -5.743 10.217 2.738 726 HG23 VAL 108 2HG2 VAL 108 -6.418 9.160 3.976 727 H ASP 109 H ASP 109 -9.459 9.002 -0.075 728 HA ASP 109 HA ASP 109 -8.249 11.161 -1.609 729 HB2 ASP 109 2HB ASP 109 -8.458 9.688 -3.516 730 HB3 ASP 109 1HB ASP 109 -7.782 8.778 -2.168 731 H ASN 110 H ASN 110 -10.870 11.351 -0.129 732 HA ASN 110 HA ASN 110 -12.911 11.526 -2.140 733 HB2 ASN 110 2HB ASN 110 -14.152 12.720 -0.194 734 HB3 ASN 110 1HB ASN 110 -13.799 11.004 -0.050 735 HD21 ASN 110 1HD2 ASN 110 -12.704 10.316 1.663 736 HD22 ASN 110 2HD2 ASN 110 -11.920 11.339 2.821 737 H ALA 111 H ALA 111 -10.347 13.458 -1.401 738 HA ALA 111 HA ALA 111 -11.623 15.771 -2.671 739 HB1 ALA 111 1HB ALA 111 -9.569 16.427 -0.672 740 HB2 ALA 111 2HB ALA 111 -11.090 17.235 -1.044 741 HB3 ALA 111 3HB ALA 111 -11.082 15.801 -0.019 742 H GLY 112 H GLY 112 -9.854 17.362 -3.411 743 HA2 GLY 112 1HA GLY 112 -7.908 15.832 -4.923 744 HA3 GLY 112 2HA GLY 112 -8.236 17.552 -5.076 745 H ALA 113 H ALA 113 -6.982 15.298 -2.628 746 HA ALA 113 HA ALA 113 -4.686 17.076 -2.239 747 HB1 ALA 113 1HB ALA 113 -4.924 17.119 0.139 748 HB2 ALA 113 2HB ALA 113 -6.457 17.636 -0.565 749 HB3 ALA 113 3HB ALA 113 -6.289 16.002 0.074 750 H GLY 114 H GLY 114 -3.347 15.555 -3.196 751 HA2 GLY 114 1HA GLY 114 -2.861 13.178 -1.525 752 HA3 GLY 114 2HA GLY 114 -2.904 13.046 -3.279 753 H THR 115 H THR 115 -0.872 13.306 -0.690 754 HA THR 115 HA THR 115 1.080 15.075 -1.890 755 HB THR 115 HB THR 115 2.296 13.830 0.272 756 HG1 THR 115 1HG THR 115 0.794 13.343 1.706 757 HG21 THR 115 3HG2 THR 115 0.748 16.406 0.017 758 HG22 THR 115 1HG2 THR 115 2.492 16.165 -0.096 759 HG23 THR 115 2HG2 THR 115 1.677 15.986 1.457 760 H LYS 116 H LYS 116 0.849 13.279 -3.711 761 HA LYS 116 HA LYS 116 3.450 12.254 -4.008 762 HB2 LYS 116 2HB LYS 116 1.478 10.397 -2.885 763 HB3 LYS 116 1HB LYS 116 2.249 9.800 -4.349 764 HG2 LYS 116 2HG LYS 116 4.461 10.314 -3.275 765 HG3 LYS 116 1HG LYS 116 3.572 10.641 -1.785 766 HD2 LYS 116 2HD LYS 116 3.168 8.051 -3.222 767 HD3 LYS 116 1HD LYS 116 4.596 8.278 -2.211 768 HE2 LYS 116 2HE LYS 116 1.848 7.763 -1.451 769 HE3 LYS 116 1HE LYS 116 3.326 7.625 -0.501 770 HZ1 LYS 116 3HZ LYS 116 2.843 9.499 0.547 771 HZ2 LYS 116 1HZ LYS 116 1.337 9.518 -0.234 772 HZ3 LYS 116 2HZ LYS 116 2.651 10.352 -0.904 773 H ALA 117 H ALA 117 1.303 13.792 -5.324 774 HA ALA 117 HA ALA 117 0.496 12.164 -7.579 775 HB1 ALA 117 1HB ALA 117 0.059 15.112 -7.486 776 HB2 ALA 117 2HB ALA 117 -0.986 13.837 -8.111 777 HB3 ALA 117 3HB ALA 117 -0.836 14.080 -6.372 778 H GLU 118 H GLU 118 2.696 11.722 -8.221 779 HA GLU 118 HA GLU 118 4.300 11.871 -9.819 780 HB2 GLU 118 2HB GLU 118 2.631 14.243 -10.547 781 HB3 GLU 118 1HB GLU 118 4.214 14.052 -11.289 782 HG2 GLU 118 2HG GLU 118 3.288 11.609 -11.733 783 HG3 GLU 118 1HG GLU 118 1.745 12.457 -11.627 Start of MODEL 17 1 H1 SER 1 1H SER 1 20.355 -5.641 6.332 2 H2 SER 1 2H SER 1 19.533 -4.914 5.040 3 H3 SER 1 3H SER 1 20.650 -4.014 5.948 4 HA SER 1 HA SER 1 21.077 -5.761 3.729 5 HB2 SER 1 2HB SER 1 23.368 -4.273 4.735 6 HB3 SER 1 1HB SER 1 22.510 -4.108 3.203 7 HG SER 1 HG SER 1 21.961 -2.257 4.083 8 H LEU 2 H LEU 2 22.764 -5.305 6.849 9 HA LEU 2 HA LEU 2 23.814 -8.040 6.554 10 HB2 LEU 2 2HB LEU 2 25.193 -6.606 8.597 11 HB3 LEU 2 1HB LEU 2 25.829 -7.268 7.104 12 HG LEU 2 HG LEU 2 24.427 -4.710 6.766 13 HD11 LEU 2 1HD1 LEU 2 25.867 -3.311 7.904 14 HD12 LEU 2 2HD1 LEU 2 25.633 -4.625 9.056 15 HD13 LEU 2 3HD1 LEU 2 27.103 -4.556 8.086 16 HD21 LEU 2 3HD2 LEU 2 27.150 -4.725 5.929 17 HD22 LEU 2 1HD2 LEU 2 26.411 -6.267 5.489 18 HD23 LEU 2 2HD2 LEU 2 25.686 -4.754 4.945 19 HA PRO 3 HA PRO 3 21.330 -9.228 9.995 20 HB2 PRO 3 2HB PRO 3 23.558 -11.013 10.776 21 HB3 PRO 3 1HB PRO 3 21.887 -11.412 10.362 22 HG2 PRO 3 2HG PRO 3 23.883 -11.967 8.682 23 HG3 PRO 3 1HG PRO 3 22.309 -11.410 8.086 24 HD2 PRO 3 2HD PRO 3 24.859 -9.872 8.410 25 HD3 PRO 3 1HD PRO 3 23.678 -9.832 7.083 26 H ALA 4 H ALA 4 21.348 -7.438 11.305 27 HA ALA 4 HA ALA 4 23.463 -7.302 13.350 28 HB1 ALA 4 1HB ALA 4 23.567 -5.116 12.940 29 HB2 ALA 4 2HB ALA 4 22.297 -5.273 11.722 30 HB3 ALA 4 3HB ALA 4 21.871 -4.955 13.404 31 H SER 5 H SER 5 21.182 -5.342 14.493 32 HA SER 5 HA SER 5 20.065 -7.355 16.246 33 HB2 SER 5 2HB SER 5 18.898 -4.843 16.781 34 HB3 SER 5 1HB SER 5 20.215 -5.622 17.663 35 HG SER 5 HG SER 5 21.200 -3.836 16.999 36 H ALA 6 H ALA 6 18.742 -4.794 14.129 37 HA ALA 6 HA ALA 6 16.592 -6.513 13.266 38 HB1 ALA 6 1HB ALA 6 15.189 -5.897 14.911 39 HB2 ALA 6 2HB ALA 6 16.188 -4.518 15.374 40 HB3 ALA 6 3HB ALA 6 15.061 -4.377 14.023 41 H ALA 7 H ALA 7 15.058 -5.152 11.811 42 HA ALA 7 HA ALA 7 16.789 -3.432 10.174 43 HB1 ALA 7 1HB ALA 7 14.414 -5.098 9.346 44 HB2 ALA 7 2HB ALA 7 15.369 -4.070 8.276 45 HB3 ALA 7 3HB ALA 7 16.114 -5.471 9.049 46 H LYS 8 H LYS 8 15.680 -1.721 8.949 47 HA LYS 8 HA LYS 8 14.053 -0.170 10.736 48 HB2 LYS 8 2HB LYS 8 15.991 0.586 9.095 49 HB3 LYS 8 1HB LYS 8 14.654 0.751 7.963 50 HG2 LYS 8 2HG LYS 8 13.897 2.604 8.949 51 HG3 LYS 8 1HG LYS 8 14.137 1.957 10.571 52 HD2 LYS 8 2HD LYS 8 16.708 2.327 9.671 53 HD3 LYS 8 1HD LYS 8 15.848 3.699 8.973 54 HE2 LYS 8 2HE LYS 8 16.632 4.416 11.075 55 HE3 LYS 8 1HE LYS 8 14.906 4.118 11.270 56 HZ1 LYS 8 3HZ LYS 8 16.986 3.049 12.748 57 HZ2 LYS 8 1HZ LYS 8 16.357 1.766 11.842 58 HZ3 LYS 8 2HZ LYS 8 15.340 2.665 12.857 59 H ASN 9 H ASN 9 11.988 -0.591 10.848 60 HA ASN 9 HA ASN 9 10.495 -1.399 8.455 61 HB2 ASN 9 2HB ASN 9 8.700 -1.887 10.243 62 HB3 ASN 9 1HB ASN 9 10.125 -2.924 10.225 63 HD21 ASN 9 1HD2 ASN 9 11.771 -2.560 11.796 64 HD22 ASN 9 2HD2 ASN 9 11.402 -1.782 13.294 65 H ALA 10 H ALA 10 11.339 1.391 9.669 66 HA ALA 10 HA ALA 10 8.747 2.624 10.038 67 HB1 ALA 10 1HB ALA 10 11.544 3.737 10.166 68 HB2 ALA 10 2HB ALA 10 10.085 4.688 10.438 69 HB3 ALA 10 3HB ALA 10 10.477 3.351 11.519 70 H LYS 11 H LYS 11 10.963 2.095 7.480 71 HA LYS 11 HA LYS 11 9.531 4.039 5.804 72 HB2 LYS 11 2HB LYS 11 12.523 3.643 5.942 73 HB3 LYS 11 1HB LYS 11 11.724 4.472 4.615 74 HG2 LYS 11 2HG LYS 11 11.469 5.320 7.490 75 HG3 LYS 11 1HG LYS 11 12.710 5.937 6.403 76 HD2 LYS 11 2HD LYS 11 11.281 7.361 5.449 77 HD3 LYS 11 1HD LYS 11 10.080 6.089 5.207 78 HE2 LYS 11 2HE LYS 11 9.062 7.700 6.608 79 HE3 LYS 11 1HE LYS 11 9.484 6.339 7.642 80 HZ1 LYS 11 3HZ LYS 11 10.001 8.663 8.487 81 HZ2 LYS 11 1HZ LYS 11 11.271 8.685 7.363 82 HZ3 LYS 11 2HZ LYS 11 11.244 7.517 8.595 83 H LEU 12 H LEU 12 9.221 3.447 3.675 84 HA LEU 12 HA LEU 12 9.864 0.659 3.073 85 HB2 LEU 12 2HB LEU 12 8.082 1.048 1.221 86 HB3 LEU 12 1HB LEU 12 7.576 0.745 2.870 87 HG LEU 12 HG LEU 12 7.905 3.585 2.074 88 HD11 LEU 12 1HD1 LEU 12 6.684 2.126 0.227 89 HD12 LEU 12 2HD1 LEU 12 5.329 2.304 1.343 90 HD13 LEU 12 3HD1 LEU 12 6.117 3.734 0.678 91 HD21 LEU 12 3HD2 LEU 12 7.090 2.523 4.326 92 HD22 LEU 12 1HD2 LEU 12 6.320 3.977 3.686 93 HD23 LEU 12 2HD2 LEU 12 5.549 2.402 3.471 94 H ALA 13 H ALA 13 11.922 0.955 2.372 95 HA ALA 13 HA ALA 13 13.571 1.212 0.834 96 HB1 ALA 13 1HB ALA 13 12.675 0.186 -0.952 97 HB2 ALA 13 2HB ALA 13 11.126 1.017 -0.780 98 HB3 ALA 13 3HB ALA 13 12.474 1.818 -1.588 99 H THR 14 H THR 14 13.614 3.234 2.298 100 HA THR 14 HA THR 14 14.377 5.360 2.469 101 HB THR 14 HB THR 14 14.003 5.524 -0.529 102 HG1 THR 14 1HG THR 14 16.166 4.851 1.184 103 HG21 THR 14 3HG2 THR 14 15.970 7.326 0.356 104 HG22 THR 14 1HG2 THR 14 14.584 7.566 1.417 105 HG23 THR 14 2HG2 THR 14 14.395 7.717 -0.330 106 H SER 15 H SER 15 11.614 5.100 0.226 107 HA SER 15 HA SER 15 9.596 6.158 0.152 108 HB2 SER 15 2HB SER 15 10.091 6.635 3.101 109 HB3 SER 15 1HB SER 15 8.528 6.680 2.281 110 HG SER 15 HG SER 15 9.451 4.379 1.639 111 H ALA 16 H ALA 16 11.727 7.752 -0.675 112 HA ALA 16 HA ALA 16 12.170 10.128 0.704 113 HB1 ALA 16 1HB ALA 16 12.568 10.953 -1.820 114 HB2 ALA 16 2HB ALA 16 13.715 9.950 -0.934 115 HB3 ALA 16 3HB ALA 16 12.591 9.205 -2.069 116 H ALA 17 H ALA 17 9.850 9.522 -1.929 117 HA ALA 17 HA ALA 17 8.638 12.115 -1.371 118 HB1 ALA 17 1HB ALA 17 7.744 12.078 -3.449 119 HB2 ALA 17 2HB ALA 17 9.097 10.980 -3.727 120 HB3 ALA 17 3HB ALA 17 7.484 10.334 -3.428 121 H PHE 18 H PHE 18 8.169 8.786 -0.659 122 HA PHE 18 HA PHE 18 5.364 8.880 -0.184 123 HB2 PHE 18 2HB PHE 18 6.852 6.791 -0.468 124 HB3 PHE 18 1HB PHE 18 7.249 7.006 1.235 125 HD1 PHE 18 2HD PHE 18 4.330 6.703 -1.050 126 HD2 PHE 18 1HD PHE 18 5.889 6.033 2.855 127 HE1 PHE 18 2HE PHE 18 2.269 5.520 -0.436 128 HE2 PHE 18 1HE PHE 18 3.818 4.846 3.481 129 HZ PHE 18 HZ PHE 18 2.009 4.590 1.831 130 H ALA 19 H ALA 19 8.165 9.823 1.592 131 HA ALA 19 HA ALA 19 7.045 10.000 4.168 132 HB1 ALA 19 1HB ALA 19 8.939 12.077 3.820 133 HB2 ALA 19 2HB ALA 19 9.152 10.517 4.613 134 HB3 ALA 19 3HB ALA 19 9.490 10.679 2.890 135 H LYS 20 H LYS 20 7.064 12.209 1.426 136 HA LYS 20 HA LYS 20 5.835 14.397 2.774 137 HB2 LYS 20 2HB LYS 20 7.067 14.107 0.376 138 HB3 LYS 20 1HB LYS 20 5.386 14.061 -0.133 139 HG2 LYS 20 2HG LYS 20 4.993 16.219 0.915 140 HG3 LYS 20 1HG LYS 20 6.666 16.261 1.478 141 HD2 LYS 20 2HD LYS 20 7.303 17.144 -0.461 142 HD3 LYS 20 1HD LYS 20 6.679 15.730 -1.314 143 HE2 LYS 20 2HE LYS 20 5.232 17.134 -2.278 144 HE3 LYS 20 1HE LYS 20 4.400 17.163 -0.726 145 HZ1 LYS 20 3HZ LYS 20 4.800 19.327 -0.678 146 HZ2 LYS 20 1HZ LYS 20 5.800 19.247 -2.051 147 HZ3 LYS 20 2HZ LYS 20 6.455 18.986 -0.504 148 H GLN 21 H GLN 21 4.761 11.591 1.033 149 HA GLN 21 HA GLN 21 1.997 12.204 0.905 150 HB2 GLN 21 2HB GLN 21 3.679 10.212 -0.039 151 HB3 GLN 21 1HB GLN 21 2.663 9.367 1.114 152 HG2 GLN 21 2HG GLN 21 0.715 10.560 -0.136 153 HG3 GLN 21 1HG GLN 21 1.916 10.745 -1.416 154 HE21 GLN 21 1HE2 GLN 21 -0.007 8.503 0.412 155 HE22 GLN 21 2HE2 GLN 21 0.247 7.131 -0.608 156 H ALA 22 H ALA 22 4.051 10.558 3.233 157 HA ALA 22 HA ALA 22 1.991 9.540 4.890 158 HB1 ALA 22 1HB ALA 22 4.943 9.924 5.195 159 HB2 ALA 22 2HB ALA 22 3.956 9.416 6.567 160 HB3 ALA 22 3HB ALA 22 4.011 8.427 5.109 161 H GLU 23 H GLU 23 3.287 12.664 4.515 162 HA GLU 23 HA GLU 23 2.369 13.483 7.171 163 HB2 GLU 23 2HB GLU 23 4.280 14.642 5.193 164 HB3 GLU 23 1HB GLU 23 3.455 15.729 6.304 165 HG2 GLU 23 2HG GLU 23 4.254 14.119 8.137 166 HG3 GLU 23 1HG GLU 23 5.370 13.515 6.915 167 H GLY 24 H GLY 24 1.099 13.124 4.193 168 HA2 GLY 24 1HA GLY 24 -0.291 15.597 3.830 169 HA3 GLY 24 2HA GLY 24 -0.670 14.066 3.052 170 H THR 25 H THR 25 -0.961 12.627 5.528 171 HA THR 25 HA THR 25 -3.124 13.934 6.958 172 HB THR 25 HB THR 25 -3.880 11.183 6.333 173 HG1 THR 25 1HG THR 25 -3.450 13.031 4.232 174 HG21 THR 25 3HG2 THR 25 -5.096 13.617 7.024 175 HG22 THR 25 1HG2 THR 25 -5.884 12.063 6.747 176 HG23 THR 25 2HG2 THR 25 -5.706 13.209 5.418 177 H THR 26 H THR 26 -3.683 12.705 8.961 178 HA THR 26 HA THR 26 -1.270 11.856 10.202 179 HB THR 26 HB THR 26 -3.742 11.268 11.657 180 HG1 THR 26 1HG THR 26 -3.736 13.880 11.722 181 HG21 THR 26 3HG2 THR 26 -1.083 12.256 12.129 182 HG22 THR 26 1HG2 THR 26 -2.266 11.654 13.294 183 HG23 THR 26 2HG2 THR 26 -2.262 13.359 12.839 184 H CYS 27 H CYS 27 -0.540 9.992 9.262 185 HA CYS 27 HA CYS 27 -1.822 7.560 10.218 186 HB2 CYS 27 2HB CYS 27 -1.082 8.029 7.319 187 HB3 CYS 27 1HB CYS 27 -1.429 6.445 7.997 188 H ASN 28 H ASN 28 -0.308 5.819 10.454 189 HA ASN 28 HA ASN 28 2.470 6.324 9.784 190 HB2 ASN 28 2HB ASN 28 1.476 6.928 12.395 191 HB3 ASN 28 1HB ASN 28 2.510 5.509 12.523 192 HD21 ASN 28 1HD2 ASN 28 2.558 8.502 10.618 193 HD22 ASN 28 2HD2 ASN 28 4.178 8.946 11.038 194 H VAL 29 H VAL 29 3.604 4.317 11.373 195 HA VAL 29 HA VAL 29 3.034 2.021 9.898 196 HB VAL 29 HB VAL 29 5.152 2.090 10.930 197 HG11 VAL 29 1HG1 VAL 29 4.949 1.868 13.647 198 HG12 VAL 29 2HG1 VAL 29 5.300 3.359 12.773 199 HG13 VAL 29 3HG1 VAL 29 3.649 2.995 13.267 200 HG21 VAL 29 3HG2 VAL 29 5.015 -0.128 11.126 201 HG22 VAL 29 1HG2 VAL 29 4.591 0.113 12.823 202 HG23 VAL 29 2HG2 VAL 29 3.319 -0.034 11.608 203 H GLY 30 H GLY 30 1.526 0.517 10.026 204 HA2 GLY 30 1HA GLY 30 0.128 -0.975 11.292 205 HA3 GLY 30 2HA GLY 30 -0.041 0.284 12.505 206 H SER 31 H SER 31 -0.478 2.380 10.476 207 HA SER 31 HA SER 31 -3.174 1.571 9.620 208 HB2 SER 31 2HB SER 31 -3.767 4.029 10.021 209 HB3 SER 31 1HB SER 31 -3.545 3.010 11.441 210 HG SER 31 HG SER 31 -2.471 5.154 11.412 211 H ILE 32 H ILE 32 -0.186 2.748 8.579 212 HA ILE 32 HA ILE 32 -1.267 4.380 6.459 213 HB ILE 32 HB ILE 32 0.975 4.765 7.691 214 HG12 ILE 32 2HG1 ILE 32 1.316 4.979 4.736 215 HG13 ILE 32 1HG1 ILE 32 -0.050 5.805 5.491 216 HG21 ILE 32 1HG2 ILE 32 2.897 3.701 7.005 217 HG22 ILE 32 2HG2 ILE 32 1.732 2.377 7.031 218 HG23 ILE 32 3HG2 ILE 32 2.174 3.134 5.501 219 HD11 ILE 32 3HD1 ILE 32 1.734 6.760 7.103 220 HD12 ILE 32 1HD1 ILE 32 2.879 6.271 5.854 221 HD13 ILE 32 2HD1 ILE 32 1.600 7.425 5.473 222 H ALA 33 H ALA 33 -1.815 3.739 4.499 223 HA ALA 33 HA ALA 33 -0.630 1.368 3.314 224 HB1 ALA 33 1HB ALA 33 -3.505 1.209 3.034 225 HB2 ALA 33 2HB ALA 33 -2.349 -0.025 3.534 226 HB3 ALA 33 3HB ALA 33 -3.004 1.104 4.722 227 H CYS 34 H CYS 34 -1.759 0.990 1.104 228 HA CYS 34 HA CYS 34 -2.558 3.554 -0.083 229 HB2 CYS 34 2HB CYS 34 -0.606 1.513 -1.079 230 HB3 CYS 34 1HB CYS 34 -1.525 2.471 -2.236 231 H CYS 35 H CYS 35 -4.348 3.481 -1.428 232 HA CYS 35 HA CYS 35 -5.696 0.859 -1.517 233 HB2 CYS 35 2HB CYS 35 -6.620 3.553 -0.792 234 HB3 CYS 35 1HB CYS 35 -7.703 2.679 -1.872 235 H ASN 36 H ASN 36 -7.091 0.449 -3.371 236 HA ASN 36 HA ASN 36 -6.444 2.013 -5.759 237 HB2 ASN 36 2HB ASN 36 -4.872 -0.049 -5.351 238 HB3 ASN 36 1HB ASN 36 -6.253 -0.974 -5.935 239 HD21 ASN 36 1HD2 ASN 36 -4.302 -1.379 -7.491 240 HD22 ASN 36 2HD2 ASN 36 -4.324 -0.403 -8.930 241 H SER 37 H SER 37 -7.798 1.550 -7.576 242 HA SER 37 HA SER 37 -10.522 1.121 -6.957 243 HB2 SER 37 2HB SER 37 -9.935 0.721 -9.750 244 HB3 SER 37 1HB SER 37 -10.724 2.095 -8.975 245 HG SER 37 HG SER 37 -8.186 1.875 -9.928 246 HA PRO 38 HA PRO 38 -10.767 -3.253 -6.707 247 HB2 PRO 38 2HB PRO 38 -13.256 -3.608 -7.907 248 HB3 PRO 38 1HB PRO 38 -12.983 -3.219 -6.207 249 HG2 PRO 38 2HG PRO 38 -13.686 -1.412 -8.479 250 HG3 PRO 38 1HG PRO 38 -14.244 -1.373 -6.796 251 HD2 PRO 38 2HD PRO 38 -12.392 0.344 -7.686 252 HD3 PRO 38 1HD PRO 38 -12.301 -0.341 -6.046 253 H ALA 39 H ALA 39 -11.538 -1.763 -9.827 254 HA ALA 39 HA ALA 39 -11.393 -4.146 -11.352 255 HB1 ALA 39 1HB ALA 39 -12.595 -2.340 -12.287 256 HB2 ALA 39 2HB ALA 39 -11.231 -1.240 -12.110 257 HB3 ALA 39 3HB ALA 39 -11.168 -2.548 -13.294 258 H GLU 40 H GLU 40 -9.024 -2.419 -9.801 259 HA GLU 40 HA GLU 40 -6.906 -3.315 -11.639 260 HB2 GLU 40 2HB GLU 40 -7.208 -1.004 -9.807 261 HB3 GLU 40 1HB GLU 40 -5.621 -1.757 -9.815 262 HG2 GLU 40 2HG GLU 40 -5.668 -1.479 -12.338 263 HG3 GLU 40 1HG GLU 40 -7.070 -0.440 -12.089 264 H THR 41 H THR 41 -7.765 -3.019 -8.228 265 HA THR 41 HA THR 41 -5.731 -4.602 -7.129 266 HB THR 41 HB THR 41 -8.418 -4.602 -5.856 267 HG1 THR 41 1HG THR 41 -6.922 -2.261 -6.456 268 HG21 THR 41 3HG2 THR 41 -5.790 -3.659 -4.754 269 HG22 THR 41 1HG2 THR 41 -6.248 -5.365 -4.789 270 HG23 THR 41 2HG2 THR 41 -7.218 -4.208 -3.875 271 H ASN 42 H ASN 42 -8.817 -5.432 -8.546 272 HA ASN 42 HA ASN 42 -8.593 -8.191 -7.565 273 HB2 ASN 42 2HB ASN 42 -10.823 -6.369 -8.188 274 HB3 ASN 42 1HB ASN 42 -11.060 -8.047 -8.648 275 HD21 ASN 42 1HD2 ASN 42 -9.780 -6.202 -5.912 276 HD22 ASN 42 2HD2 ASN 42 -10.580 -7.125 -4.688 277 H ASN 43 H ASN 43 -7.355 -6.806 -10.010 278 HA ASN 43 HA ASN 43 -8.532 -7.773 -12.354 279 HB2 ASN 43 2HB ASN 43 -6.617 -6.062 -12.040 280 HB3 ASN 43 1HB ASN 43 -5.554 -7.467 -12.058 281 HD21 ASN 43 1HD2 ASN 43 -7.701 -5.464 -13.902 282 HD22 ASN 43 2HD2 ASN 43 -7.256 -6.071 -15.465 283 H ASP 44 H ASP 44 -6.524 -9.362 -10.002 284 HA ASP 44 HA ASP 44 -6.600 -11.801 -11.656 285 HB2 ASP 44 2HB ASP 44 -4.298 -10.804 -11.351 286 HB3 ASP 44 1HB ASP 44 -4.462 -11.132 -9.625 287 H SER 45 H SER 45 -7.062 -13.729 -10.600 288 HA SER 45 HA SER 45 -8.789 -13.505 -8.363 289 HB2 SER 45 2HB SER 45 -8.001 -16.224 -8.850 290 HB3 SER 45 1HB SER 45 -9.541 -15.439 -9.196 291 HG SER 45 HG SER 45 -7.836 -16.310 -10.942 292 H LEU 46 H LEU 46 -5.394 -14.133 -8.674 293 HA LEU 46 HA LEU 46 -5.226 -15.247 -5.985 294 HB2 LEU 46 2HB LEU 46 -3.790 -15.877 -8.089 295 HB3 LEU 46 1HB LEU 46 -2.844 -14.476 -7.619 296 HG LEU 46 HG LEU 46 -2.554 -15.528 -5.356 297 HD11 LEU 46 1HD1 LEU 46 -4.354 -17.048 -5.222 298 HD12 LEU 46 2HD1 LEU 46 -3.926 -17.807 -6.756 299 HD13 LEU 46 3HD1 LEU 46 -2.897 -18.035 -5.341 300 HD21 LEU 46 3HD2 LEU 46 -1.334 -17.584 -6.904 301 HD22 LEU 46 1HD2 LEU 46 -1.268 -16.073 -7.806 302 HD23 LEU 46 2HD2 LEU 46 -0.594 -16.157 -6.179 303 H LEU 47 H LEU 47 -4.790 -12.254 -7.680 304 HA LEU 47 HA LEU 47 -3.161 -10.862 -5.885 305 HB2 LEU 47 2HB LEU 47 -5.321 -9.931 -7.774 306 HB3 LEU 47 1HB LEU 47 -4.415 -8.811 -6.772 307 HG LEU 47 HG LEU 47 -3.337 -10.577 -8.963 308 HD11 LEU 47 1HD1 LEU 47 -4.173 -8.676 -9.968 309 HD12 LEU 47 2HD1 LEU 47 -3.773 -7.648 -8.589 310 HD13 LEU 47 3HD1 LEU 47 -2.495 -8.224 -9.659 311 HD21 LEU 47 3HD2 LEU 47 -1.797 -8.850 -7.023 312 HD22 LEU 47 1HD2 LEU 47 -1.764 -10.613 -7.091 313 HD23 LEU 47 2HD2 LEU 47 -1.130 -9.664 -8.437 314 H SER 48 H SER 48 -6.632 -11.385 -5.927 315 HA SER 48 HA SER 48 -7.300 -9.595 -3.862 316 HB2 SER 48 2HB SER 48 -9.292 -11.439 -3.773 317 HB3 SER 48 1HB SER 48 -9.190 -10.160 -4.989 318 HG SER 48 HG SER 48 -9.399 -11.988 -6.166 319 H GLY 49 H GLY 49 -5.980 -12.808 -3.838 320 HA2 GLY 49 1HA GLY 49 -6.514 -13.167 -0.985 321 HA3 GLY 49 2HA GLY 49 -5.737 -14.326 -2.056 322 H LEU 50 H LEU 50 -4.072 -11.949 -3.037 323 HA LEU 50 HA LEU 50 -1.908 -12.308 -1.164 324 HB2 LEU 50 2HB LEU 50 -2.229 -11.395 -3.894 325 HB3 LEU 50 1HB LEU 50 -1.219 -10.289 -2.978 326 HG LEU 50 HG LEU 50 -0.125 -12.681 -2.272 327 HD11 LEU 50 1HD1 LEU 50 -1.743 -13.676 -4.028 328 HD12 LEU 50 2HD1 LEU 50 -0.612 -13.006 -5.206 329 HD13 LEU 50 3HD1 LEU 50 -0.056 -14.192 -4.023 330 HD21 LEU 50 3HD2 LEU 50 0.810 -10.462 -3.290 331 HD22 LEU 50 1HD2 LEU 50 1.729 -11.961 -3.415 332 HD23 LEU 50 2HD2 LEU 50 0.793 -11.383 -4.793 333 H LEU 51 H LEU 51 -4.437 -10.104 -1.693 334 HA LEU 51 HA LEU 51 -3.362 -7.775 -0.499 335 HB2 LEU 51 2HB LEU 51 -6.023 -8.787 -1.267 336 HB3 LEU 51 1HB LEU 51 -6.032 -7.646 0.061 337 HG LEU 51 HG LEU 51 -6.134 -6.057 -1.492 338 HD11 LEU 51 1HD1 LEU 51 -3.645 -6.222 -2.831 339 HD12 LEU 51 2HD1 LEU 51 -4.133 -5.128 -1.536 340 HD13 LEU 51 3HD1 LEU 51 -3.394 -6.681 -1.146 341 HD21 LEU 51 3HD2 LEU 51 -4.965 -7.258 -3.842 342 HD22 LEU 51 1HD2 LEU 51 -6.205 -8.293 -3.132 343 HD23 LEU 51 2HD2 LEU 51 -6.594 -6.631 -3.579 344 H GLY 52 H GLY 52 -5.134 -10.544 0.767 345 HA2 GLY 52 1HA GLY 52 -4.903 -9.428 3.471 346 HA3 GLY 52 2HA GLY 52 -6.053 -10.658 2.970 347 H ALA 53 H ALA 53 -2.681 -10.031 3.741 348 HA ALA 53 HA ALA 53 -2.029 -12.837 3.834 349 HB1 ALA 53 1HB ALA 53 -0.486 -10.650 3.530 350 HB2 ALA 53 2HB ALA 53 -0.306 -10.900 5.267 351 HB3 ALA 53 3HB ALA 53 0.126 -12.187 4.142 352 H GLY 54 H GLY 54 -4.050 -13.101 5.197 353 HA2 GLY 54 1HA GLY 54 -4.033 -14.094 7.545 354 HA3 GLY 54 2HA GLY 54 -3.567 -12.468 8.036 355 H LEU 55 H LEU 55 -5.220 -11.355 8.846 356 HA LEU 55 HA LEU 55 -7.883 -11.824 7.677 357 HB2 LEU 55 2HB LEU 55 -6.976 -11.649 10.411 358 HB3 LEU 55 1HB LEU 55 -8.195 -10.430 10.090 359 HG LEU 55 HG LEU 55 -8.549 -13.377 9.557 360 HD11 LEU 55 1HD1 LEU 55 -8.804 -11.818 11.979 361 HD12 LEU 55 2HD1 LEU 55 -10.330 -12.571 11.518 362 HD13 LEU 55 3HD1 LEU 55 -8.892 -13.565 11.745 363 HD21 LEU 55 3HD2 LEU 55 -10.850 -11.561 9.790 364 HD22 LEU 55 1HD2 LEU 55 -9.848 -11.340 8.357 365 HD23 LEU 55 2HD2 LEU 55 -10.576 -12.911 8.692 366 H LEU 56 H LEU 56 -6.308 -10.154 6.253 367 HA LEU 56 HA LEU 56 -6.846 -7.418 7.047 368 HB2 LEU 56 2HB LEU 56 -4.916 -8.617 5.453 369 HB3 LEU 56 1HB LEU 56 -5.954 -7.795 4.300 370 HG LEU 56 HG LEU 56 -5.601 -5.842 6.166 371 HD11 LEU 56 1HD1 LEU 56 -3.717 -7.757 6.861 372 HD12 LEU 56 2HD1 LEU 56 -2.813 -6.546 5.950 373 HD13 LEU 56 3HD1 LEU 56 -3.752 -6.067 7.365 374 HD21 LEU 56 3HD2 LEU 56 -5.217 -6.053 3.562 375 HD22 LEU 56 1HD2 LEU 56 -4.517 -4.729 4.492 376 HD23 LEU 56 2HD2 LEU 56 -3.526 -6.122 4.057 377 H ASN 57 H ASN 57 -8.239 -6.018 6.015 378 HA ASN 57 HA ASN 57 -10.280 -7.340 4.366 379 HB2 ASN 57 2HB ASN 57 -10.508 -5.813 6.826 380 HB3 ASN 57 1HB ASN 57 -11.504 -5.141 5.542 381 HD21 ASN 57 1HD2 ASN 57 -13.329 -5.733 6.735 382 HD22 ASN 57 2HD2 ASN 57 -13.904 -7.371 6.743 383 H GLY 58 H GLY 58 -11.754 -5.287 3.512 384 HA2 GLY 58 1HA GLY 58 -9.799 -3.963 1.738 385 HA3 GLY 58 2HA GLY 58 -11.433 -4.416 1.272 386 H LEU 59 H LEU 59 -12.168 -2.450 0.655 387 HA LEU 59 HA LEU 59 -11.736 -0.033 2.060 388 HB2 LEU 59 2HB LEU 59 -12.926 -0.841 -0.360 389 HB3 LEU 59 1HB LEU 59 -14.174 0.006 0.528 390 HG LEU 59 HG LEU 59 -12.761 1.375 -1.084 391 HD11 LEU 59 1HD1 LEU 59 -12.388 3.113 0.965 392 HD12 LEU 59 2HD1 LEU 59 -13.927 2.837 0.150 393 HD13 LEU 59 3HD1 LEU 59 -13.568 2.004 1.664 394 HD21 LEU 59 3HD2 LEU 59 -10.589 1.989 -0.531 395 HD22 LEU 59 1HD2 LEU 59 -10.752 1.440 1.138 396 HD23 LEU 59 2HD2 LEU 59 -10.623 0.263 -0.169 397 H SER 60 H SER 60 -13.229 1.229 3.250 398 HA SER 60 HA SER 60 -14.764 -0.164 5.164 399 HB2 SER 60 2HB SER 60 -15.541 2.266 5.682 400 HB3 SER 60 1HB SER 60 -13.840 1.860 5.897 401 HG SER 60 HG SER 60 -15.071 3.330 3.826 402 H GLY 61 H GLY 61 -16.298 -1.391 4.047 403 HA2 GLY 61 1HA GLY 61 -18.671 -1.498 3.788 404 HA3 GLY 61 2HA GLY 61 -18.654 0.163 3.214 405 H ASN 62 H ASN 62 -16.645 0.012 1.303 406 HA ASN 62 HA ASN 62 -18.150 -1.108 -0.866 407 HB2 ASN 62 2HB ASN 62 -16.615 1.027 -0.790 408 HB3 ASN 62 1HB ASN 62 -15.352 -0.120 -1.214 409 HD21 ASN 62 1HD2 ASN 62 -16.156 -1.678 -3.047 410 HD22 ASN 62 2HD2 ASN 62 -16.871 -0.878 -4.401 411 H THR 63 H THR 63 -18.109 -3.172 -1.326 412 HA THR 63 HA THR 63 -15.875 -4.869 -0.653 413 HB THR 63 HB THR 63 -17.892 -6.059 -2.382 414 HG1 THR 63 1HG THR 63 -19.581 -5.089 -1.552 415 HG21 THR 63 3HG2 THR 63 -16.267 -6.741 -0.180 416 HG22 THR 63 1HG2 THR 63 -17.326 -7.802 -1.108 417 HG23 THR 63 2HG2 THR 63 -17.935 -6.984 0.331 418 H GLY 64 H GLY 64 -14.130 -4.954 -1.929 419 HA2 GLY 64 1HA GLY 64 -13.653 -5.962 -4.250 420 HA3 GLY 64 2HA GLY 64 -14.466 -4.507 -4.816 421 H SER 65 H SER 65 -13.525 -2.522 -3.355 422 HA SER 65 HA SER 65 -10.826 -2.220 -4.205 423 HB2 SER 65 2HB SER 65 -11.645 -0.244 -2.267 424 HB3 SER 65 1HB SER 65 -11.359 -0.047 -3.996 425 HG SER 65 HG SER 65 -13.516 0.462 -3.433 426 H ALA 66 H ALA 66 -8.972 -2.374 -3.008 427 HA ALA 66 HA ALA 66 -9.258 -3.067 -0.166 428 HB1 ALA 66 1HB ALA 66 -8.565 -4.881 -2.132 429 HB2 ALA 66 2HB ALA 66 -7.016 -4.400 -1.442 430 HB3 ALA 66 3HB ALA 66 -8.279 -5.058 -0.401 431 H CYS 67 H CYS 67 -7.122 -2.895 0.999 432 HA CYS 67 HA CYS 67 -5.463 -0.758 -0.163 433 HB2 CYS 67 2HB CYS 67 -7.065 -0.658 2.192 434 HB3 CYS 67 1HB CYS 67 -5.377 -0.633 2.684 435 H ALA 68 H ALA 68 -3.335 -1.142 -0.161 436 HA ALA 68 HA ALA 68 -2.420 -3.585 1.204 437 HB1 ALA 68 1HB ALA 68 -1.142 -4.064 -0.577 438 HB2 ALA 68 2HB ALA 68 -2.172 -2.917 -1.431 439 HB3 ALA 68 3HB ALA 68 -0.622 -2.393 -0.778 440 H LYS 69 H LYS 69 -0.775 -3.504 2.624 441 HA LYS 69 HA LYS 69 0.091 -0.823 3.421 442 HB2 LYS 69 2HB LYS 69 0.771 -3.056 5.198 443 HB3 LYS 69 1HB LYS 69 0.013 -1.514 5.568 444 HG2 LYS 69 2HG LYS 69 -1.659 -3.433 4.098 445 HG3 LYS 69 1HG LYS 69 -1.235 -3.885 5.750 446 HD2 LYS 69 2HD LYS 69 -1.959 -1.144 5.751 447 HD3 LYS 69 1HD LYS 69 -3.200 -2.033 4.861 448 HE2 LYS 69 2HE LYS 69 -2.306 -3.358 7.305 449 HE3 LYS 69 1HE LYS 69 -3.059 -1.788 7.583 450 HZ1 LYS 69 3HZ LYS 69 -4.856 -2.731 5.976 451 HZ2 LYS 69 1HZ LYS 69 -4.859 -3.175 7.612 452 HZ3 LYS 69 2HZ LYS 69 -4.227 -4.228 6.449 453 H ALA 70 H ALA 70 2.296 -0.510 4.062 454 HA ALA 70 HA ALA 70 4.109 -1.479 2.125 455 HB1 ALA 70 1HB ALA 70 5.454 0.159 2.855 456 HB2 ALA 70 2HB ALA 70 4.043 0.677 3.776 457 HB3 ALA 70 3HB ALA 70 5.282 -0.314 4.543 458 H SER 71 H SER 71 3.187 -2.617 5.243 459 HA SER 71 HA SER 71 5.546 -4.154 5.778 460 HB2 SER 71 2HB SER 71 3.353 -5.183 7.233 461 HB3 SER 71 1HB SER 71 4.573 -4.051 7.814 462 HG SER 71 HG SER 71 1.995 -3.598 7.455 463 H LEU 72 H LEU 72 2.567 -4.512 4.110 464 HA LEU 72 HA LEU 72 2.781 -7.385 3.852 465 HB2 LEU 72 2HB LEU 72 0.679 -5.601 3.919 466 HB3 LEU 72 1HB LEU 72 0.792 -6.011 2.218 467 HG LEU 72 HG LEU 72 0.809 -8.207 4.220 468 HD11 LEU 72 1HD1 LEU 72 -1.104 -7.338 5.083 469 HD12 LEU 72 2HD1 LEU 72 -1.476 -6.419 3.624 470 HD13 LEU 72 3HD1 LEU 72 -1.791 -8.154 3.677 471 HD21 LEU 72 3HD2 LEU 72 -0.775 -8.798 2.026 472 HD22 LEU 72 1HD2 LEU 72 0.568 -7.854 1.380 473 HD23 LEU 72 2HD2 LEU 72 0.887 -9.317 2.315 474 H ILE 73 H ILE 73 3.512 -4.495 2.103 475 HA ILE 73 HA ILE 73 3.632 -5.565 -0.487 476 HB ILE 73 HB ILE 73 4.654 -3.121 0.836 477 HG12 ILE 73 2HG1 ILE 73 3.742 -2.978 -1.935 478 HG13 ILE 73 1HG1 ILE 73 2.594 -3.807 -0.889 479 HG21 ILE 73 1HG2 ILE 73 5.984 -4.291 -1.589 480 HG22 ILE 73 2HG2 ILE 73 5.893 -2.546 -1.355 481 HG23 ILE 73 3HG2 ILE 73 6.719 -3.553 -0.167 482 HD11 ILE 73 3HD1 ILE 73 1.834 -1.725 -0.551 483 HD12 ILE 73 1HD1 ILE 73 3.147 -1.656 0.625 484 HD13 ILE 73 2HD1 ILE 73 3.371 -0.974 -0.986 485 H ASP 74 H ASP 74 6.009 -5.396 2.123 486 HA ASP 74 HA ASP 74 8.104 -6.639 0.591 487 HB2 ASP 74 2HB ASP 74 8.604 -5.075 2.452 488 HB3 ASP 74 1HB ASP 74 7.904 -6.222 3.587 489 H GLN 75 H GLN 75 5.304 -7.872 1.737 490 HA GLN 75 HA GLN 75 6.335 -10.206 3.069 491 HB2 GLN 75 2HB GLN 75 3.969 -8.829 3.213 492 HB3 GLN 75 1HB GLN 75 3.510 -10.235 2.268 493 HG2 GLN 75 2HG GLN 75 3.240 -10.397 4.780 494 HG3 GLN 75 1HG GLN 75 4.094 -11.719 3.983 495 HE21 GLN 75 1HE2 GLN 75 5.129 -8.482 4.968 496 HE22 GLN 75 2HE2 GLN 75 6.443 -9.017 5.944 497 H LEU 76 H LEU 76 4.944 -9.380 -0.051 498 HA LEU 76 HA LEU 76 5.824 -11.967 -1.072 499 HB2 LEU 76 2HB LEU 76 3.015 -10.915 -1.395 500 HB3 LEU 76 1HB LEU 76 3.663 -12.329 -2.204 501 HG LEU 76 HG LEU 76 4.087 -12.668 0.581 502 HD11 LEU 76 1HD1 LEU 76 2.344 -11.766 1.598 503 HD12 LEU 76 2HD1 LEU 76 1.770 -11.108 0.062 504 HD13 LEU 76 3HD1 LEU 76 1.264 -12.718 0.576 505 HD21 LEU 76 3HD2 LEU 76 2.821 -14.006 -1.679 506 HD22 LEU 76 1HD2 LEU 76 3.804 -14.661 -0.368 507 HD23 LEU 76 2HD2 LEU 76 2.082 -14.372 -0.120 508 H GLY 77 H GLY 77 6.314 -8.901 -1.394 509 HA2 GLY 77 1HA GLY 77 6.941 -7.514 -3.109 510 HA3 GLY 77 2HA GLY 77 6.998 -8.948 -4.128 511 H LEU 78 H LEU 78 4.321 -7.456 -2.389 512 HA LEU 78 HA LEU 78 2.372 -8.001 -4.268 513 HB2 LEU 78 2HB LEU 78 2.631 -6.273 -1.909 514 HB3 LEU 78 1HB LEU 78 1.432 -5.724 -3.066 515 HG LEU 78 HG LEU 78 0.503 -8.113 -2.973 516 HD11 LEU 78 1HD1 LEU 78 2.176 -8.112 -0.468 517 HD12 LEU 78 2HD1 LEU 78 0.935 -9.301 -0.875 518 HD13 LEU 78 3HD1 LEU 78 2.388 -9.165 -1.870 519 HD21 LEU 78 3HD2 LEU 78 -0.731 -7.599 -0.861 520 HD22 LEU 78 1HD2 LEU 78 0.345 -6.218 -0.641 521 HD23 LEU 78 2HD2 LEU 78 -0.720 -6.290 -2.044 522 H LEU 79 H LEU 79 1.887 -7.212 -6.186 523 HA LEU 79 HA LEU 79 3.017 -4.606 -6.937 524 HB2 LEU 79 2HB LEU 79 3.203 -5.420 -9.197 525 HB3 LEU 79 1HB LEU 79 4.021 -6.529 -8.115 526 HG LEU 79 HG LEU 79 1.253 -7.301 -8.589 527 HD11 LEU 79 1HD1 LEU 79 1.491 -6.346 -10.745 528 HD12 LEU 79 2HD1 LEU 79 3.108 -7.025 -10.934 529 HD13 LEU 79 3HD1 LEU 79 1.702 -8.090 -10.918 530 HD21 LEU 79 3HD2 LEU 79 3.185 -9.174 -9.528 531 HD22 LEU 79 1HD2 LEU 79 3.755 -8.475 -8.014 532 HD23 LEU 79 2HD2 LEU 79 2.176 -9.256 -8.084 533 H ALA 80 H ALA 80 0.218 -6.042 -6.109 534 HA ALA 80 HA ALA 80 -1.486 -5.212 -8.273 535 HB1 ALA 80 1HB ALA 80 -1.710 -6.864 -5.921 536 HB2 ALA 80 2HB ALA 80 -3.089 -5.776 -6.069 537 HB3 ALA 80 3HB ALA 80 -2.681 -6.867 -7.394 538 H LEU 81 H LEU 81 -0.014 -3.460 -5.874 539 HA LEU 81 HA LEU 81 -2.021 -1.390 -5.968 540 HB2 LEU 81 2HB LEU 81 -2.100 -3.274 -3.899 541 HB3 LEU 81 1HB LEU 81 -1.417 -1.817 -3.193 542 HG LEU 81 HG LEU 81 -3.947 -1.759 -4.805 543 HD11 LEU 81 1HD1 LEU 81 -4.849 -3.016 -3.191 544 HD12 LEU 81 2HD1 LEU 81 -3.499 -2.751 -2.089 545 HD13 LEU 81 3HD1 LEU 81 -4.773 -1.537 -2.238 546 HD21 LEU 81 3HD2 LEU 81 -2.616 0.320 -4.360 547 HD22 LEU 81 1HD2 LEU 81 -4.278 0.347 -3.773 548 HD23 LEU 81 2HD2 LEU 81 -2.948 0.077 -2.645 549 H VAL 82 H VAL 82 0.762 -1.537 -6.752 550 HA VAL 82 HA VAL 82 1.609 0.821 -5.241 551 HB VAL 82 HB VAL 82 3.975 -0.592 -6.021 552 HG11 VAL 82 1HG1 VAL 82 4.753 0.163 -4.025 553 HG12 VAL 82 2HG1 VAL 82 3.343 1.211 -4.179 554 HG13 VAL 82 3HG1 VAL 82 3.262 -0.232 -3.167 555 HG21 VAL 82 3HG2 VAL 82 1.912 -2.290 -4.904 556 HG22 VAL 82 1HG2 VAL 82 3.484 -2.719 -5.579 557 HG23 VAL 82 2HG2 VAL 82 3.350 -2.245 -3.885 558 H ASP 83 H ASP 83 2.409 2.384 -6.445 559 HA ASP 83 HA ASP 83 2.930 1.801 -9.280 560 HB2 ASP 83 2HB ASP 83 1.156 3.610 -8.348 561 HB3 ASP 83 1HB ASP 83 2.604 4.618 -8.376 562 H HIS 84 H HIS 84 4.779 3.166 -10.205 563 HA HIS 84 HA HIS 84 6.842 3.273 -8.110 564 HB2 HIS 84 2HB HIS 84 6.686 1.281 -9.998 565 HB3 HIS 84 1HB HIS 84 7.869 2.390 -10.690 566 HD1 HIS 84 1HD HIS 84 9.775 3.154 -8.748 567 HD2 HIS 84 2HD HIS 84 7.813 -0.491 -8.330 568 HE1 HIS 84 1HE HIS 84 11.163 1.819 -7.140 569 HE2 HIS 84 2HE HIS 84 10.068 -0.457 -7.059 570 H THR 85 H THR 85 7.551 5.238 -7.942 571 HA THR 85 HA THR 85 8.157 6.728 -10.403 572 HB THR 85 HB THR 85 8.552 8.597 -8.565 573 HG1 THR 85 1HG THR 85 7.918 7.974 -6.646 574 HG21 THR 85 3HG2 THR 85 6.861 8.568 -10.411 575 HG22 THR 85 1HG2 THR 85 6.312 9.369 -8.943 576 HG23 THR 85 2HG2 THR 85 5.759 7.736 -9.313 577 H GLU 86 H GLU 86 10.146 8.426 -9.428 578 HA GLU 86 HA GLU 86 12.370 6.583 -9.553 579 HB2 GLU 86 2HB GLU 86 12.306 9.605 -9.483 580 HB3 GLU 86 1HB GLU 86 13.740 8.633 -9.781 581 HG2 GLU 86 2HG GLU 86 13.053 8.025 -11.891 582 HG3 GLU 86 1HG GLU 86 11.347 8.274 -11.519 583 H GLU 87 H GLU 87 10.609 7.888 -7.051 584 HA GLU 87 HA GLU 87 12.912 8.001 -5.232 585 HB2 GLU 87 2HB GLU 87 10.247 8.788 -4.226 586 HB3 GLU 87 1HB GLU 87 11.813 9.543 -3.973 587 HG2 GLU 87 2HG GLU 87 10.768 11.143 -5.208 588 HG3 GLU 87 1HG GLU 87 11.544 10.214 -6.492 589 H GLY 88 H GLY 88 11.117 5.677 -6.330 590 HA2 GLY 88 1HA GLY 88 11.411 3.539 -5.145 591 HA3 GLY 88 2HA GLY 88 10.878 4.373 -3.694 592 HA PRO 89 HA PRO 89 7.090 2.436 -5.523 593 HB2 PRO 89 2HB PRO 89 6.717 1.033 -3.036 594 HB3 PRO 89 1HB PRO 89 7.054 0.352 -4.628 595 HG2 PRO 89 2HG PRO 89 8.800 0.278 -2.500 596 HG3 PRO 89 1HG PRO 89 9.283 0.157 -4.202 597 HD2 PRO 89 2HD PRO 89 9.369 2.520 -2.362 598 HD3 PRO 89 1HD PRO 89 10.537 2.006 -3.600 599 H VAL 90 H VAL 90 5.137 3.364 -5.213 600 HA VAL 90 HA VAL 90 4.592 4.723 -2.677 601 HB VAL 90 HB VAL 90 3.721 6.672 -4.200 602 HG11 VAL 90 1HG1 VAL 90 6.621 6.903 -4.093 603 HG12 VAL 90 2HG1 VAL 90 5.379 7.820 -3.238 604 HG13 VAL 90 3HG1 VAL 90 5.929 6.270 -2.600 605 HG21 VAL 90 3HG2 VAL 90 5.798 6.765 -5.978 606 HG22 VAL 90 1HG2 VAL 90 5.348 5.059 -6.024 607 HG23 VAL 90 2HG2 VAL 90 4.143 6.300 -6.371 608 H CYS 91 H CYS 91 2.314 6.049 -3.312 609 HA CYS 91 HA CYS 91 0.432 3.942 -3.300 610 HB2 CYS 91 2HB CYS 91 0.392 6.831 -2.955 611 HB3 CYS 91 1HB CYS 91 -1.022 6.250 -3.831 612 H LYS 92 H LYS 92 -0.773 3.067 -4.847 613 HA LYS 92 HA LYS 92 0.057 3.459 -7.541 614 HB2 LYS 92 2HB LYS 92 -0.415 1.239 -6.850 615 HB3 LYS 92 1HB LYS 92 -1.998 1.691 -6.236 616 HG2 LYS 92 2HG LYS 92 -2.571 0.665 -8.194 617 HG3 LYS 92 1HG LYS 92 -2.453 2.347 -8.716 618 HD2 LYS 92 2HD LYS 92 0.072 1.629 -9.138 619 HD3 LYS 92 1HD LYS 92 -0.687 0.048 -9.318 620 HE2 LYS 92 2HE LYS 92 -0.521 1.168 -11.467 621 HE3 LYS 92 1HE LYS 92 -2.210 0.978 -10.993 622 HZ1 LYS 92 3HZ LYS 92 -0.563 3.432 -11.036 623 HZ2 LYS 92 1HZ LYS 92 -1.946 3.337 -10.059 624 HZ3 LYS 92 2HZ LYS 92 -2.089 3.156 -11.735 625 H ASN 93 H ASN 93 -2.746 4.374 -5.651 626 HA ASN 93 HA ASN 93 -3.646 6.124 -7.759 627 HB2 ASN 93 2HB ASN 93 -4.917 3.530 -7.244 628 HB3 ASN 93 1HB ASN 93 -6.034 4.886 -7.223 629 HD21 ASN 93 1HD2 ASN 93 -5.429 2.579 -9.106 630 HD22 ASN 93 2HD2 ASN 93 -5.322 3.329 -10.662 631 H ILE 94 H ILE 94 -5.260 4.577 -4.972 632 HA ILE 94 HA ILE 94 -6.141 7.250 -4.150 633 HB ILE 94 HB ILE 94 -7.198 4.498 -3.484 634 HG12 ILE 94 2HG1 ILE 94 -9.164 6.213 -4.592 635 HG13 ILE 94 1HG1 ILE 94 -7.723 6.368 -5.592 636 HG21 ILE 94 1HG2 ILE 94 -9.092 6.332 -2.657 637 HG22 ILE 94 2HG2 ILE 94 -8.037 5.373 -1.619 638 HG23 ILE 94 3HG2 ILE 94 -7.566 7.009 -2.086 639 HD11 ILE 94 3HD1 ILE 94 -7.995 3.637 -5.167 640 HD12 ILE 94 1HD1 ILE 94 -9.637 4.223 -5.438 641 HD13 ILE 94 2HD1 ILE 94 -8.379 4.532 -6.637 642 H VAL 95 H VAL 95 -5.693 8.104 -2.181 643 HA VAL 95 HA VAL 95 -3.759 6.665 -0.515 644 HB VAL 95 HB VAL 95 -4.624 9.554 -0.296 645 HG11 VAL 95 1HG1 VAL 95 -3.536 8.334 1.685 646 HG12 VAL 95 2HG1 VAL 95 -2.066 8.342 0.708 647 HG13 VAL 95 3HG1 VAL 95 -2.826 9.866 1.174 648 HG21 VAL 95 3HG2 VAL 95 -2.565 10.125 -1.472 649 HG22 VAL 95 1HG2 VAL 95 -2.206 8.413 -1.691 650 HG23 VAL 95 2HG2 VAL 95 -3.609 9.128 -2.484 651 H ALA 96 H ALA 96 -4.472 5.650 1.260 652 HA ALA 96 HA ALA 96 -6.774 6.706 2.702 653 HB1 ALA 96 1HB ALA 96 -7.215 4.774 0.853 654 HB2 ALA 96 2HB ALA 96 -6.909 3.804 2.296 655 HB3 ALA 96 3HB ALA 96 -8.193 5.012 2.303 656 H CYS 97 H CYS 97 -7.064 5.673 4.807 657 HA CYS 97 HA CYS 97 -4.510 4.670 5.861 658 HB2 CYS 97 2HB CYS 97 -5.925 6.811 6.735 659 HB3 CYS 97 1HB CYS 97 -6.590 5.548 7.768 660 H CYS 98 H CYS 98 -4.391 2.658 6.598 661 HA CYS 98 HA CYS 98 -6.874 1.136 6.985 662 HB2 CYS 98 2HB CYS 98 -6.105 0.863 4.641 663 HB3 CYS 98 1HB CYS 98 -4.560 0.271 5.241 664 HA PRO 99 HA PRO 99 -4.280 -0.136 10.426 665 HB2 PRO 99 2HB PRO 99 -6.197 -1.407 11.817 666 HB3 PRO 99 1HB PRO 99 -6.152 0.355 11.700 667 HG2 PRO 99 2HG PRO 99 -7.827 -1.591 10.158 668 HG3 PRO 99 1HG PRO 99 -8.307 -0.061 10.922 669 HD2 PRO 99 2HD PRO 99 -7.751 -0.294 8.256 670 HD3 PRO 99 1HD PRO 99 -7.503 1.203 9.173 671 H GLU 100 H GLU 100 -3.036 -1.941 10.691 672 HA GLU 100 HA GLU 100 -3.719 -4.297 9.137 673 HB2 GLU 100 2HB GLU 100 -1.321 -3.165 9.745 674 HB3 GLU 100 1HB GLU 100 -1.396 -4.451 10.942 675 HG2 GLU 100 2HG GLU 100 -1.431 -6.125 9.337 676 HG3 GLU 100 1HG GLU 100 -1.968 -5.030 8.063 677 H GLY 101 H GLY 101 -4.306 -6.265 9.917 678 HA2 GLY 101 1HA GLY 101 -4.249 -7.734 11.969 679 HA3 GLY 101 2HA GLY 101 -4.979 -6.355 12.785 680 H THR 102 H THR 102 -6.970 -5.487 11.527 681 HA THR 102 HA THR 102 -8.534 -7.318 10.012 682 HB THR 102 HB THR 102 -10.213 -6.870 12.293 683 HG1 THR 102 1HG THR 102 -7.753 -8.211 12.857 684 HG21 THR 102 3HG2 THR 102 -9.078 -9.499 11.360 685 HG22 THR 102 1HG2 THR 102 -10.328 -8.631 10.467 686 HG23 THR 102 2HG2 THR 102 -10.645 -9.187 12.110 687 H THR 103 H THR 103 -10.899 -6.456 9.951 688 HA THR 103 HA THR 103 -12.409 -4.812 9.612 689 HB THR 103 HB THR 103 -10.692 -2.689 10.837 690 HG1 THR 103 1HG THR 103 -10.436 -4.328 12.317 691 HG21 THR 103 3HG2 THR 103 -13.593 -3.260 11.358 692 HG22 THR 103 1HG2 THR 103 -13.077 -2.393 9.909 693 HG23 THR 103 2HG2 THR 103 -12.715 -1.737 11.502 694 H ASN 104 H ASN 104 -12.692 -2.696 8.522 695 HA ASN 104 HA ASN 104 -11.306 -2.900 6.024 696 HB2 ASN 104 2HB ASN 104 -13.397 -0.866 6.793 697 HB3 ASN 104 1HB ASN 104 -12.954 -1.384 5.174 698 HD21 ASN 104 1HD2 ASN 104 -15.540 -1.353 6.561 699 HD22 ASN 104 2HD2 ASN 104 -16.131 -2.976 6.480 700 H CYS 105 H CYS 105 -10.797 -0.836 4.836 701 HA CYS 105 HA CYS 105 -9.318 1.030 6.571 702 HB2 CYS 105 2HB CYS 105 -8.738 0.938 3.669 703 HB3 CYS 105 1HB CYS 105 -7.634 1.078 5.034 704 H VAL 106 H VAL 106 -9.590 3.262 6.213 705 HA VAL 106 HA VAL 106 -12.032 3.907 4.727 706 HB VAL 106 HB VAL 106 -12.592 5.464 6.280 707 HG11 VAL 106 1HG1 VAL 106 -12.003 4.761 8.541 708 HG12 VAL 106 2HG1 VAL 106 -12.319 3.371 7.505 709 HG13 VAL 106 3HG1 VAL 106 -10.657 3.813 7.903 710 HG21 VAL 106 3HG2 VAL 106 -9.724 5.951 7.074 711 HG22 VAL 106 1HG2 VAL 106 -10.554 6.850 5.806 712 HG23 VAL 106 2HG2 VAL 106 -11.136 6.935 7.467 713 H ALA 107 H ALA 107 -12.114 5.507 3.220 714 HA ALA 107 HA ALA 107 -9.538 6.630 2.363 715 HB1 ALA 107 1HB ALA 107 -10.166 5.788 0.394 716 HB2 ALA 107 2HB ALA 107 -11.831 5.552 0.928 717 HB3 ALA 107 3HB ALA 107 -11.312 7.126 0.322 718 H VAL 108 H VAL 108 -9.197 8.712 2.662 719 HA VAL 108 HA VAL 108 -11.508 10.495 3.021 720 HB VAL 108 HB VAL 108 -9.617 11.693 4.589 721 HG11 VAL 108 1HG1 VAL 108 -11.275 9.804 6.082 722 HG12 VAL 108 2HG1 VAL 108 -11.256 11.565 6.116 723 HG13 VAL 108 3HG1 VAL 108 -12.165 10.718 4.865 724 HG21 VAL 108 3HG2 VAL 108 -9.486 8.968 5.699 725 HG22 VAL 108 1HG2 VAL 108 -8.503 9.256 4.266 726 HG23 VAL 108 2HG2 VAL 108 -8.278 10.256 5.702 727 H ASP 109 H ASP 109 -9.467 9.875 0.849 728 HA ASP 109 HA ASP 109 -7.989 12.361 0.622 729 HB2 ASP 109 2HB ASP 109 -6.976 11.366 -1.351 730 HB3 ASP 109 1HB ASP 109 -6.959 10.196 -0.038 731 H ASN 110 H ASN 110 -10.588 10.662 -1.039 732 HA ASN 110 HA ASN 110 -12.276 11.340 -2.380 733 HB2 ASN 110 2HB ASN 110 -11.585 13.892 -0.995 734 HB3 ASN 110 1HB ASN 110 -12.640 13.971 -2.404 735 HD21 ASN 110 1HD2 ASN 110 -12.339 13.048 0.881 736 HD22 ASN 110 2HD2 ASN 110 -13.981 12.555 1.133 737 H ALA 111 H ALA 111 -9.457 11.197 -3.240 738 HA ALA 111 HA ALA 111 -8.279 11.338 -5.157 739 HB1 ALA 111 1HB ALA 111 -9.422 11.643 -7.245 740 HB2 ALA 111 2HB ALA 111 -10.429 10.666 -6.177 741 HB3 ALA 111 3HB ALA 111 -10.805 12.372 -6.429 742 H GLY 112 H GLY 112 -7.568 12.874 -6.953 743 HA2 GLY 112 1HA GLY 112 -8.091 15.642 -6.790 744 HA3 GLY 112 2HA GLY 112 -6.599 15.259 -5.934 745 H ALA 113 H ALA 113 -4.821 15.359 -7.112 746 HA ALA 113 HA ALA 113 -4.710 14.325 -9.788 747 HB1 ALA 113 1HB ALA 113 -4.488 16.224 -11.040 748 HB2 ALA 113 2HB ALA 113 -5.638 16.791 -9.829 749 HB3 ALA 113 3HB ALA 113 -3.929 17.189 -9.673 750 H GLY 114 H GLY 114 -3.235 15.936 -7.086 751 HA2 GLY 114 1HA GLY 114 -0.535 15.432 -8.049 752 HA3 GLY 114 2HA GLY 114 -0.977 16.192 -6.523 753 H THR 115 H THR 115 0.753 13.797 -7.437 754 HA THR 115 HA THR 115 -0.526 11.589 -6.037 755 HB THR 115 HB THR 115 1.874 10.575 -6.639 756 HG1 THR 115 1HG THR 115 1.478 12.694 -8.530 757 HG21 THR 115 3HG2 THR 115 -0.452 11.009 -8.509 758 HG22 THR 115 1HG2 THR 115 -0.150 9.617 -7.469 759 HG23 THR 115 2HG2 THR 115 0.887 9.918 -8.863 760 H LYS 116 H LYS 116 2.282 13.684 -5.731 761 HA LYS 116 HA LYS 116 2.529 13.766 -3.011 762 HB2 LYS 116 2HB LYS 116 3.892 12.048 -2.267 763 HB3 LYS 116 1HB LYS 116 2.915 11.192 -3.452 764 HG2 LYS 116 2HG LYS 116 4.968 12.047 -4.991 765 HG3 LYS 116 1HG LYS 116 5.779 11.800 -3.444 766 HD2 LYS 116 2HD LYS 116 5.776 9.600 -3.754 767 HD3 LYS 116 1HD LYS 116 4.020 9.605 -3.956 768 HE2 LYS 116 2HE LYS 116 5.194 8.668 -5.913 769 HE3 LYS 116 1HE LYS 116 4.244 10.099 -6.309 770 HZ1 LYS 116 3HZ LYS 116 6.470 11.317 -5.936 771 HZ2 LYS 116 1HZ LYS 116 6.231 10.486 -7.389 772 HZ3 LYS 116 2HZ LYS 116 7.172 9.793 -6.158 773 H ALA 117 H ALA 117 3.962 13.748 -6.145 774 HA ALA 117 HA ALA 117 6.376 15.096 -5.297 775 HB1 ALA 117 1HB ALA 117 5.410 13.812 -7.756 776 HB2 ALA 117 2HB ALA 117 6.438 15.228 -7.998 777 HB3 ALA 117 3HB ALA 117 7.029 13.863 -7.053 778 H GLU 118 H GLU 118 5.182 16.894 -4.359 779 HA GLU 118 HA GLU 118 4.540 18.908 -6.405 780 HB2 GLU 118 2HB GLU 118 2.870 18.091 -4.425 781 HB3 GLU 118 1HB GLU 118 3.709 19.402 -3.610 782 HG2 GLU 118 2HG GLU 118 1.753 20.321 -4.554 783 HG3 GLU 118 1HG GLU 118 3.108 20.878 -5.532 Start of MODEL 18 1 H1 SER 1 1H SER 1 18.906 14.844 10.706 2 H2 SER 1 2H SER 1 20.099 14.835 11.907 3 H3 SER 1 3H SER 1 19.839 16.232 10.977 4 HA SER 1 HA SER 1 18.284 16.962 12.311 5 HB2 SER 1 2HB SER 1 16.936 14.332 12.703 6 HB3 SER 1 1HB SER 1 16.238 15.919 12.377 7 HG SER 1 HG SER 1 16.022 15.097 10.440 8 H LEU 2 H LEU 2 17.817 17.143 14.541 9 HA LEU 2 HA LEU 2 19.775 15.863 16.234 10 HB2 LEU 2 2HB LEU 2 17.777 18.063 16.504 11 HB3 LEU 2 1HB LEU 2 18.346 17.289 17.970 12 HG LEU 2 HG LEU 2 20.545 18.012 16.217 13 HD11 LEU 2 1HD1 LEU 2 18.399 19.916 16.477 14 HD12 LEU 2 2HD1 LEU 2 19.875 20.520 17.228 15 HD13 LEU 2 3HD1 LEU 2 19.886 20.023 15.535 16 HD21 LEU 2 3HD2 LEU 2 20.732 17.393 18.596 17 HD22 LEU 2 1HD2 LEU 2 21.410 18.986 18.262 18 HD23 LEU 2 2HD2 LEU 2 19.827 18.845 19.026 19 HA PRO 3 HA PRO 3 17.326 12.661 18.124 20 HB2 PRO 3 2HB PRO 3 17.930 13.829 20.782 21 HB3 PRO 3 1HB PRO 3 18.250 12.204 20.170 22 HG2 PRO 3 2HG PRO 3 20.231 13.959 20.469 23 HG3 PRO 3 1HG PRO 3 20.193 12.855 19.079 24 HD2 PRO 3 2HD PRO 3 19.477 15.761 19.221 25 HD3 PRO 3 1HD PRO 3 20.352 14.875 17.953 26 H ALA 4 H ALA 4 15.277 13.307 17.485 27 HA ALA 4 HA ALA 4 13.562 14.220 19.623 28 HB1 ALA 4 1HB ALA 4 13.792 15.753 17.034 29 HB2 ALA 4 2HB ALA 4 12.484 15.957 18.199 30 HB3 ALA 4 3HB ALA 4 14.142 16.347 18.655 31 H SER 5 H SER 5 11.967 14.781 16.788 32 HA SER 5 HA SER 5 10.429 12.395 16.947 33 HB2 SER 5 2HB SER 5 9.903 13.648 14.489 34 HB3 SER 5 1HB SER 5 9.007 13.851 15.997 35 HG SER 5 HG SER 5 9.945 15.734 16.328 36 H ALA 6 H ALA 6 13.173 13.408 15.086 37 HA ALA 6 HA ALA 6 12.882 11.387 13.054 38 HB1 ALA 6 1HB ALA 6 14.061 13.768 13.004 39 HB2 ALA 6 2HB ALA 6 15.465 12.785 13.420 40 HB3 ALA 6 3HB ALA 6 14.551 12.441 11.950 41 H ALA 7 H ALA 7 12.724 9.829 15.016 42 HA ALA 7 HA ALA 7 15.397 8.620 15.344 43 HB1 ALA 7 1HB ALA 7 15.102 8.458 17.551 44 HB2 ALA 7 2HB ALA 7 13.669 9.473 17.376 45 HB3 ALA 7 3HB ALA 7 13.516 7.717 17.335 46 H LYS 8 H LYS 8 13.347 8.327 13.262 47 HA LYS 8 HA LYS 8 12.595 5.514 13.655 48 HB2 LYS 8 2HB LYS 8 11.165 7.477 11.854 49 HB3 LYS 8 1HB LYS 8 10.635 5.863 12.314 50 HG2 LYS 8 2HG LYS 8 11.059 7.880 14.457 51 HG3 LYS 8 1HG LYS 8 9.628 8.021 13.432 52 HD2 LYS 8 2HD LYS 8 8.710 6.617 14.928 53 HD3 LYS 8 1HD LYS 8 9.584 5.376 14.028 54 HE2 LYS 8 2HE LYS 8 11.534 6.053 15.681 55 HE3 LYS 8 1HE LYS 8 10.184 6.579 16.685 56 HZ1 LYS 8 3HZ LYS 8 10.868 4.279 17.129 57 HZ2 LYS 8 1HZ LYS 8 10.470 3.857 15.535 58 HZ3 LYS 8 2HZ LYS 8 9.258 4.381 16.597 59 H ASN 9 H ASN 9 13.703 4.189 12.408 60 HA ASN 9 HA ASN 9 14.897 5.243 9.927 61 HB2 ASN 9 2HB ASN 9 16.604 3.401 10.259 62 HB3 ASN 9 1HB ASN 9 16.653 4.695 11.450 63 HD21 ASN 9 1HD2 ASN 9 15.480 4.291 13.473 64 HD22 ASN 9 2HD2 ASN 9 15.485 2.693 14.120 65 H ALA 10 H ALA 10 12.298 3.737 10.667 66 HA ALA 10 HA ALA 10 12.611 1.431 8.903 67 HB1 ALA 10 1HB ALA 10 10.462 0.690 9.724 68 HB2 ALA 10 2HB ALA 10 11.495 1.107 11.093 69 HB3 ALA 10 3HB ALA 10 10.222 2.215 10.576 70 H LYS 11 H LYS 11 12.454 2.033 6.811 71 HA LYS 11 HA LYS 11 10.169 3.729 6.057 72 HB2 LYS 11 2HB LYS 11 13.030 3.903 5.119 73 HB3 LYS 11 1HB LYS 11 11.700 4.632 4.233 74 HG2 LYS 11 2HG LYS 11 11.877 5.293 7.101 75 HG3 LYS 11 1HG LYS 11 13.146 5.941 6.058 76 HD2 LYS 11 2HD LYS 11 11.620 7.149 4.764 77 HD3 LYS 11 1HD LYS 11 10.246 6.198 5.327 78 HE2 LYS 11 2HE LYS 11 10.155 7.301 7.369 79 HE3 LYS 11 1HE LYS 11 11.827 7.854 7.256 80 HZ1 LYS 11 3HZ LYS 11 9.431 9.122 6.343 81 HZ2 LYS 11 1HZ LYS 11 10.582 8.988 5.105 82 HZ3 LYS 11 2HZ LYS 11 10.983 9.770 6.551 83 H LEU 12 H LEU 12 10.113 3.640 3.461 84 HA LEU 12 HA LEU 12 9.737 0.809 2.864 85 HB2 LEU 12 2HB LEU 12 8.758 3.377 1.673 86 HB3 LEU 12 1HB LEU 12 8.705 1.906 0.722 87 HG LEU 12 HG LEU 12 7.481 1.010 2.932 88 HD11 LEU 12 1HD1 LEU 12 6.871 2.610 4.345 89 HD12 LEU 12 2HD1 LEU 12 7.637 3.826 3.322 90 HD13 LEU 12 3HD1 LEU 12 5.951 3.386 3.054 91 HD21 LEU 12 3HD2 LEU 12 6.218 2.588 0.693 92 HD22 LEU 12 1HD2 LEU 12 6.576 0.863 0.693 93 HD23 LEU 12 2HD2 LEU 12 5.349 1.508 1.783 94 H ALA 13 H ALA 13 12.371 1.494 3.021 95 HA ALA 13 HA ALA 13 14.352 1.153 1.968 96 HB1 ALA 13 1HB ALA 13 12.860 -0.515 0.642 97 HB2 ALA 13 2HB ALA 13 13.046 0.651 -0.665 98 HB3 ALA 13 3HB ALA 13 14.468 -0.106 0.050 99 H THR 14 H THR 14 12.121 3.429 0.918 100 HA THR 14 HA THR 14 14.162 5.347 0.336 101 HB THR 14 HB THR 14 12.438 5.546 -1.942 102 HG1 THR 14 1HG THR 14 13.777 3.040 -1.679 103 HG21 THR 14 3HG2 THR 14 14.556 6.586 -1.970 104 HG22 THR 14 1HG2 THR 14 14.658 5.274 -3.146 105 HG23 THR 14 2HG2 THR 14 15.385 5.088 -1.549 106 H SER 15 H SER 15 10.747 4.624 -0.310 107 HA SER 15 HA SER 15 8.813 5.725 0.088 108 HB2 SER 15 2HB SER 15 9.728 7.299 2.385 109 HB3 SER 15 1HB SER 15 8.473 6.060 2.288 110 HG SER 15 HG SER 15 11.266 5.677 2.584 111 H ALA 16 H ALA 16 10.438 8.412 1.606 112 HA ALA 16 HA ALA 16 10.495 10.626 1.123 113 HB1 ALA 16 1HB ALA 16 11.910 9.250 -0.852 114 HB2 ALA 16 2HB ALA 16 10.986 10.487 -1.705 115 HB3 ALA 16 3HB ALA 16 12.077 10.944 -0.396 116 H ALA 17 H ALA 17 9.508 10.101 -2.187 117 HA ALA 17 HA ALA 17 7.333 11.802 -2.188 118 HB1 ALA 17 1HB ALA 17 7.308 11.288 -4.349 119 HB2 ALA 17 2HB ALA 17 8.566 10.095 -4.026 120 HB3 ALA 17 3HB ALA 17 6.866 9.615 -4.006 121 H PHE 18 H PHE 18 7.441 8.346 -1.447 122 HA PHE 18 HA PHE 18 4.611 8.097 -1.083 123 HB2 PHE 18 2HB PHE 18 6.100 6.161 -1.596 124 HB3 PHE 18 1HB PHE 18 6.791 6.308 0.017 125 HD1 PHE 18 1HD PHE 18 3.716 5.525 -1.859 126 HD2 PHE 18 2HD PHE 18 5.661 5.432 1.923 127 HE1 PHE 18 1HE PHE 18 1.920 4.093 -0.977 128 HE2 PHE 18 2HE PHE 18 3.869 3.992 2.812 129 HZ PHE 18 HZ PHE 18 1.995 3.323 1.364 130 H ALA 19 H ALA 19 7.317 8.923 0.955 131 HA ALA 19 HA ALA 19 6.106 8.379 3.446 132 HB1 ALA 19 1HB ALA 19 8.534 9.768 2.520 133 HB2 ALA 19 2HB ALA 19 7.933 10.208 4.121 134 HB3 ALA 19 3HB ALA 19 8.329 8.530 3.756 135 H LYS 20 H LYS 20 5.813 11.008 1.239 136 HA LYS 20 HA LYS 20 5.029 13.128 2.827 137 HB2 LYS 20 2HB LYS 20 4.325 12.212 0.085 138 HB3 LYS 20 1HB LYS 20 3.336 13.479 0.797 139 HG2 LYS 20 2HG LYS 20 4.901 15.017 0.469 140 HG3 LYS 20 1HG LYS 20 6.173 13.980 1.118 141 HD2 LYS 20 2HD LYS 20 5.733 12.740 -1.218 142 HD3 LYS 20 1HD LYS 20 5.294 14.388 -1.675 143 HE2 LYS 20 2HE LYS 20 7.740 14.256 -0.107 144 HE3 LYS 20 1HE LYS 20 7.842 13.332 -1.606 145 HZ1 LYS 20 3HZ LYS 20 8.295 15.964 -1.420 146 HZ2 LYS 20 1HZ LYS 20 6.659 15.963 -1.866 147 HZ3 LYS 20 2HZ LYS 20 7.804 15.192 -2.851 148 H GLN 21 H GLN 21 3.401 10.151 2.237 149 HA GLN 21 HA GLN 21 0.760 10.898 2.889 150 HB2 GLN 21 2HB GLN 21 2.208 8.485 2.301 151 HB3 GLN 21 1HB GLN 21 1.188 8.221 3.709 152 HG2 GLN 21 2HG GLN 21 -0.685 9.245 2.301 153 HG3 GLN 21 1HG GLN 21 0.392 8.995 0.929 154 HE21 GLN 21 1HE2 GLN 21 1.124 6.792 0.530 155 HE22 GLN 21 2HE2 GLN 21 0.077 5.479 0.942 156 H ALA 22 H ALA 22 3.563 10.133 4.813 157 HA ALA 22 HA ALA 22 1.996 9.803 7.250 158 HB1 ALA 22 1HB ALA 22 3.706 8.577 7.986 159 HB2 ALA 22 2HB ALA 22 4.372 8.700 6.356 160 HB3 ALA 22 3HB ALA 22 4.876 9.842 7.603 161 H GLU 23 H GLU 23 3.649 12.258 5.560 162 HA GLU 23 HA GLU 23 4.022 13.850 7.977 163 HB2 GLU 23 2HB GLU 23 4.732 15.257 5.561 164 HB3 GLU 23 1HB GLU 23 5.741 14.828 6.932 165 HG2 GLU 23 2HG GLU 23 5.218 12.523 5.304 166 HG3 GLU 23 1HG GLU 23 5.875 13.838 4.330 167 H GLY 24 H GLY 24 2.347 13.969 4.856 168 HA2 GLY 24 1HA GLY 24 1.097 16.494 5.493 169 HA3 GLY 24 2HA GLY 24 0.806 15.512 4.064 170 H THR 25 H THR 25 0.160 13.097 5.512 171 HA THR 25 HA THR 25 -2.501 13.906 6.484 172 HB THR 25 HB THR 25 -2.095 11.132 5.514 173 HG1 THR 25 1HG THR 25 -1.487 13.336 4.015 174 HG21 THR 25 3HG2 THR 25 -4.319 11.960 4.324 175 HG22 THR 25 1HG2 THR 25 -4.248 13.194 5.583 176 HG23 THR 25 2HG2 THR 25 -4.305 11.486 6.023 177 H THR 26 H THR 26 -3.438 12.684 8.196 178 HA THR 26 HA THR 26 -1.477 11.681 10.078 179 HB THR 26 HB THR 26 -4.240 11.491 10.944 180 HG1 THR 26 1HG THR 26 -4.698 13.725 10.807 181 HG21 THR 26 3HG2 THR 26 -3.335 12.196 12.877 182 HG22 THR 26 1HG2 THR 26 -2.529 13.562 12.109 183 HG23 THR 26 2HG2 THR 26 -1.785 11.963 12.070 184 H CYS 27 H CYS 27 -0.863 9.668 9.432 185 HA CYS 27 HA CYS 27 -2.913 7.594 9.703 186 HB2 CYS 27 2HB CYS 27 -1.181 8.080 7.359 187 HB3 CYS 27 1HB CYS 27 -1.232 6.409 7.911 188 H ASN 28 H ASN 28 -1.703 5.362 9.917 189 HA ASN 28 HA ASN 28 0.345 5.844 11.981 190 HB2 ASN 28 2HB ASN 28 -2.127 4.642 12.263 191 HB3 ASN 28 1HB ASN 28 -1.033 3.269 12.123 192 HD21 ASN 28 1HD2 ASN 28 -2.373 3.610 14.406 193 HD22 ASN 28 2HD2 ASN 28 -1.323 4.151 15.673 194 H VAL 29 H VAL 29 1.821 3.965 12.379 195 HA VAL 29 HA VAL 29 3.217 3.350 10.023 196 HB VAL 29 HB VAL 29 3.948 3.337 12.579 197 HG11 VAL 29 1HG1 VAL 29 4.282 0.461 12.367 198 HG12 VAL 29 2HG1 VAL 29 3.747 1.442 13.732 199 HG13 VAL 29 3HG1 VAL 29 2.587 0.934 12.505 200 HG21 VAL 29 3HG2 VAL 29 5.947 3.074 11.647 201 HG22 VAL 29 1HG2 VAL 29 5.599 1.399 11.216 202 HG23 VAL 29 2HG2 VAL 29 5.118 2.708 10.136 203 H GLY 30 H GLY 30 0.840 1.504 11.847 204 HA2 GLY 30 1HA GLY 30 0.999 -0.612 9.804 205 HA3 GLY 30 2HA GLY 30 0.298 -0.810 11.409 206 H SER 31 H SER 31 -0.190 1.913 9.277 207 HA SER 31 HA SER 31 -2.855 1.004 8.576 208 HB2 SER 31 2HB SER 31 -2.431 3.658 9.957 209 HB3 SER 31 1HB SER 31 -3.967 2.977 9.418 210 HG SER 31 HG SER 31 -2.987 1.131 10.911 211 H ILE 32 H ILE 32 -0.009 2.609 7.783 212 HA ILE 32 HA ILE 32 -1.204 4.308 5.789 213 HB ILE 32 HB ILE 32 1.208 4.411 7.107 214 HG12 ILE 32 2HG1 ILE 32 1.092 5.874 4.557 215 HG13 ILE 32 1HG1 ILE 32 -0.324 6.035 5.585 216 HG21 ILE 32 1HG2 ILE 32 3.000 3.894 5.817 217 HG22 ILE 32 2HG2 ILE 32 1.895 2.635 5.266 218 HG23 ILE 32 3HG2 ILE 32 2.115 4.098 4.304 219 HD11 ILE 32 3HD1 ILE 32 0.826 7.711 6.511 220 HD12 ILE 32 1HD1 ILE 32 1.679 6.426 7.368 221 HD13 ILE 32 2HD1 ILE 32 2.371 7.118 5.902 222 H ALA 33 H ALA 33 -1.578 3.801 3.716 223 HA ALA 33 HA ALA 33 -0.609 1.269 2.651 224 HB1 ALA 33 1HB ALA 33 -2.951 1.320 4.117 225 HB2 ALA 33 2HB ALA 33 -3.501 1.375 2.442 226 HB3 ALA 33 3HB ALA 33 -2.453 0.061 2.984 227 H CYS 34 H CYS 34 -1.869 0.820 0.522 228 HA CYS 34 HA CYS 34 -2.662 3.291 -0.826 229 HB2 CYS 34 2HB CYS 34 -0.254 2.565 -1.397 230 HB3 CYS 34 1HB CYS 34 -1.000 1.210 -2.243 231 H CYS 35 H CYS 35 -4.315 3.038 -2.244 232 HA CYS 35 HA CYS 35 -5.460 0.335 -2.463 233 HB2 CYS 35 2HB CYS 35 -6.660 2.873 -1.540 234 HB3 CYS 35 1HB CYS 35 -7.632 1.978 -2.704 235 H ASN 36 H ASN 36 -6.573 -0.128 -4.390 236 HA ASN 36 HA ASN 36 -6.356 1.877 -6.526 237 HB2 ASN 36 2HB ASN 36 -4.518 -0.022 -6.515 238 HB3 ASN 36 1HB ASN 36 -5.821 -0.994 -7.193 239 HD21 ASN 36 1HD2 ASN 36 -3.805 -0.803 -8.792 240 HD22 ASN 36 2HD2 ASN 36 -4.066 0.343 -10.066 241 H SER 37 H SER 37 -7.849 1.523 -8.274 242 HA SER 37 HA SER 37 -10.444 0.984 -7.626 243 HB2 SER 37 2HB SER 37 -9.506 0.287 -10.384 244 HB3 SER 37 1HB SER 37 -10.924 1.213 -9.885 245 HG SER 37 HG SER 37 -9.637 2.970 -9.469 246 HA PRO 38 HA PRO 38 -10.871 -3.245 -6.631 247 HB2 PRO 38 2HB PRO 38 -13.418 -3.050 -8.183 248 HB3 PRO 38 1HB PRO 38 -13.139 -3.648 -6.543 249 HG2 PRO 38 2HG PRO 38 -14.207 -1.248 -6.948 250 HG3 PRO 38 1HG PRO 38 -13.045 -1.520 -5.636 251 HD2 PRO 38 2HD PRO 38 -12.669 -0.139 -8.248 252 HD3 PRO 38 1HD PRO 38 -11.914 0.187 -6.675 253 H ALA 39 H ALA 39 -11.678 -2.345 -9.975 254 HA ALA 39 HA ALA 39 -11.546 -5.007 -10.980 255 HB1 ALA 39 1HB ALA 39 -11.635 -2.285 -12.227 256 HB2 ALA 39 2HB ALA 39 -11.340 -3.715 -13.217 257 HB3 ALA 39 3HB ALA 39 -12.830 -3.582 -12.282 258 H GLU 40 H GLU 40 -9.145 -2.944 -9.933 259 HA GLU 40 HA GLU 40 -7.136 -4.149 -11.709 260 HB2 GLU 40 2HB GLU 40 -6.757 -1.705 -9.974 261 HB3 GLU 40 1HB GLU 40 -5.695 -2.288 -11.245 262 HG2 GLU 40 2HG GLU 40 -8.505 -1.449 -11.848 263 HG3 GLU 40 1HG GLU 40 -7.202 -0.270 -11.725 264 H THR 41 H THR 41 -8.001 -3.496 -8.357 265 HA THR 41 HA THR 41 -5.752 -4.753 -7.174 266 HB THR 41 HB THR 41 -8.030 -5.137 -5.517 267 HG1 THR 41 1HG THR 41 -7.992 -2.428 -6.223 268 HG21 THR 41 3HG2 THR 41 -6.930 -3.295 -4.219 269 HG22 THR 41 1HG2 THR 41 -5.782 -3.140 -5.548 270 HG23 THR 41 2HG2 THR 41 -5.881 -4.648 -4.641 271 H ASN 42 H ASN 42 -8.933 -5.842 -8.148 272 HA ASN 42 HA ASN 42 -8.344 -8.589 -7.361 273 HB2 ASN 42 2HB ASN 42 -10.761 -6.985 -7.794 274 HB3 ASN 42 1HB ASN 42 -10.853 -8.616 -8.445 275 HD21 ASN 42 1HD2 ASN 42 -9.756 -6.932 -5.539 276 HD22 ASN 42 2HD2 ASN 42 -10.366 -8.098 -4.417 277 H ASN 43 H ASN 43 -7.319 -6.957 -9.746 278 HA ASN 43 HA ASN 43 -8.279 -8.062 -12.139 279 HB2 ASN 43 2HB ASN 43 -6.530 -6.130 -11.650 280 HB3 ASN 43 1HB ASN 43 -5.369 -7.437 -11.850 281 HD21 ASN 43 1HD2 ASN 43 -7.944 -5.639 -13.415 282 HD22 ASN 43 2HD2 ASN 43 -7.458 -6.004 -15.037 283 H ASP 44 H ASP 44 -5.999 -9.211 -9.760 284 HA ASP 44 HA ASP 44 -5.744 -11.723 -11.275 285 HB2 ASP 44 2HB ASP 44 -3.590 -10.713 -10.713 286 HB3 ASP 44 1HB ASP 44 -4.043 -10.642 -9.010 287 H SER 45 H SER 45 -6.503 -13.602 -10.397 288 HA SER 45 HA SER 45 -8.511 -13.389 -8.418 289 HB2 SER 45 2HB SER 45 -7.455 -16.076 -9.072 290 HB3 SER 45 1HB SER 45 -9.113 -15.468 -9.102 291 HG SER 45 HG SER 45 -8.862 -14.796 -11.105 292 H LEU 46 H LEU 46 -5.132 -14.188 -8.280 293 HA LEU 46 HA LEU 46 -5.376 -15.209 -5.563 294 HB2 LEU 46 2HB LEU 46 -3.760 -16.058 -7.419 295 HB3 LEU 46 1HB LEU 46 -2.771 -14.690 -6.939 296 HG LEU 46 HG LEU 46 -3.049 -15.699 -4.533 297 HD11 LEU 46 1HD1 LEU 46 -2.975 -18.273 -4.853 298 HD12 LEU 46 2HD1 LEU 46 -4.533 -17.448 -4.785 299 HD13 LEU 46 3HD1 LEU 46 -3.860 -17.933 -6.340 300 HD21 LEU 46 3HD2 LEU 46 -0.936 -15.464 -5.750 301 HD22 LEU 46 1HD2 LEU 46 -1.009 -16.987 -4.861 302 HD23 LEU 46 2HD2 LEU 46 -1.266 -16.971 -6.607 303 H LEU 47 H LEU 47 -4.668 -12.291 -7.219 304 HA LEU 47 HA LEU 47 -2.994 -10.947 -5.466 305 HB2 LEU 47 2HB LEU 47 -4.323 -10.337 -7.790 306 HB3 LEU 47 1HB LEU 47 -5.090 -9.267 -6.632 307 HG LEU 47 HG LEU 47 -3.273 -8.100 -7.710 308 HD11 LEU 47 1HD1 LEU 47 -3.312 -7.223 -5.614 309 HD12 LEU 47 2HD1 LEU 47 -3.040 -8.784 -4.834 310 HD13 LEU 47 3HD1 LEU 47 -1.694 -7.923 -5.579 311 HD21 LEU 47 3HD2 LEU 47 -2.031 -10.267 -8.244 312 HD22 LEU 47 1HD2 LEU 47 -1.056 -8.858 -7.829 313 HD23 LEU 47 2HD2 LEU 47 -1.331 -10.123 -6.632 314 H SER 48 H SER 48 -6.540 -11.105 -5.479 315 HA SER 48 HA SER 48 -6.972 -9.359 -3.336 316 HB2 SER 48 2HB SER 48 -9.075 -11.157 -3.276 317 HB3 SER 48 1HB SER 48 -8.984 -9.704 -4.278 318 HG SER 48 HG SER 48 -9.154 -12.176 -5.113 319 H GLY 49 H GLY 49 -5.931 -12.664 -3.406 320 HA2 GLY 49 1HA GLY 49 -6.437 -12.981 -0.533 321 HA3 GLY 49 2HA GLY 49 -5.895 -14.245 -1.632 322 H LEU 50 H LEU 50 -4.073 -11.761 -2.513 323 HA LEU 50 HA LEU 50 -1.789 -12.696 -1.003 324 HB2 LEU 50 2HB LEU 50 -2.208 -11.570 -3.550 325 HB3 LEU 50 1HB LEU 50 -1.265 -10.391 -2.660 326 HG LEU 50 HG LEU 50 0.423 -12.148 -2.176 327 HD11 LEU 50 1HD1 LEU 50 -1.649 -13.822 -3.278 328 HD12 LEU 50 2HD1 LEU 50 -0.125 -14.043 -4.139 329 HD13 LEU 50 3HD1 LEU 50 -0.191 -14.271 -2.390 330 HD21 LEU 50 3HD2 LEU 50 0.820 -10.670 -4.022 331 HD22 LEU 50 1HD2 LEU 50 1.276 -12.300 -4.517 332 HD23 LEU 50 2HD2 LEU 50 -0.250 -11.608 -5.064 333 H LEU 51 H LEU 51 -3.825 -9.855 -1.215 334 HA LEU 51 HA LEU 51 -2.226 -8.229 0.503 335 HB2 LEU 51 2HB LEU 51 -4.466 -6.923 0.694 336 HB3 LEU 51 1HB LEU 51 -3.603 -6.942 -0.835 337 HG LEU 51 HG LEU 51 -5.332 -9.130 -0.962 338 HD11 LEU 51 1HD1 LEU 51 -6.597 -6.770 0.388 339 HD12 LEU 51 2HD1 LEU 51 -7.530 -7.883 -0.615 340 HD13 LEU 51 3HD1 LEU 51 -6.693 -8.478 0.821 341 HD21 LEU 51 3HD2 LEU 51 -4.821 -6.637 -2.322 342 HD22 LEU 51 1HD2 LEU 51 -5.370 -8.181 -2.975 343 HD23 LEU 51 2HD2 LEU 51 -6.540 -7.027 -2.332 344 H GLY 52 H GLY 52 -4.816 -10.531 0.954 345 HA2 GLY 52 1HA GLY 52 -5.185 -9.801 3.735 346 HA3 GLY 52 2HA GLY 52 -6.011 -11.096 2.874 347 H ALA 53 H ALA 53 -2.769 -10.205 4.060 348 HA ALA 53 HA ALA 53 -2.002 -12.993 4.243 349 HB1 ALA 53 1HB ALA 53 -0.009 -12.039 3.934 350 HB2 ALA 53 2HB ALA 53 -0.650 -10.437 4.302 351 HB3 ALA 53 3HB ALA 53 -0.096 -11.484 5.606 352 H GLY 54 H GLY 54 -4.125 -12.980 5.653 353 HA2 GLY 54 1HA GLY 54 -3.997 -13.942 8.059 354 HA3 GLY 54 2HA GLY 54 -3.562 -12.280 8.447 355 H LEU 55 H LEU 55 -5.204 -10.973 9.004 356 HA LEU 55 HA LEU 55 -7.848 -11.563 7.839 357 HB2 LEU 55 2HB LEU 55 -7.158 -11.606 10.543 358 HB3 LEU 55 1HB LEU 55 -7.967 -10.067 10.324 359 HG LEU 55 HG LEU 55 -9.654 -11.570 10.985 360 HD11 LEU 55 1HD1 LEU 55 -11.133 -11.737 9.054 361 HD12 LEU 55 2HD1 LEU 55 -10.304 -10.180 9.085 362 HD13 LEU 55 3HD1 LEU 55 -9.770 -11.441 7.974 363 HD21 LEU 55 3HD2 LEU 55 -9.960 -13.766 10.186 364 HD22 LEU 55 1HD2 LEU 55 -8.836 -13.520 8.850 365 HD23 LEU 55 2HD2 LEU 55 -8.233 -13.602 10.505 366 H LEU 56 H LEU 56 -6.567 -10.055 6.257 367 HA LEU 56 HA LEU 56 -6.746 -7.257 6.998 368 HB2 LEU 56 2HB LEU 56 -5.279 -8.768 5.067 369 HB3 LEU 56 1HB LEU 56 -6.234 -7.565 4.222 370 HG LEU 56 HG LEU 56 -3.826 -7.235 5.839 371 HD11 LEU 56 1HD1 LEU 56 -4.258 -6.632 3.414 372 HD12 LEU 56 2HD1 LEU 56 -5.184 -5.263 4.030 373 HD13 LEU 56 3HD1 LEU 56 -3.469 -5.408 4.410 374 HD21 LEU 56 3HD2 LEU 56 -5.024 -6.259 7.556 375 HD22 LEU 56 1HD2 LEU 56 -4.679 -4.873 6.523 376 HD23 LEU 56 2HD2 LEU 56 -6.269 -5.634 6.477 377 H ASN 57 H ASN 57 -8.171 -5.795 6.114 378 HA ASN 57 HA ASN 57 -10.517 -7.018 4.828 379 HB2 ASN 57 2HB ASN 57 -10.229 -5.244 7.105 380 HB3 ASN 57 1HB ASN 57 -11.297 -4.554 5.889 381 HD21 ASN 57 1HD2 ASN 57 -13.210 -4.802 6.893 382 HD22 ASN 57 2HD2 ASN 57 -13.896 -6.330 7.316 383 H GLY 58 H GLY 58 -11.867 -4.946 3.887 384 HA2 GLY 58 1HA GLY 58 -10.000 -3.881 1.859 385 HA3 GLY 58 2HA GLY 58 -11.679 -4.292 1.539 386 H LEU 59 H LEU 59 -11.938 -2.153 0.675 387 HA LEU 59 HA LEU 59 -11.616 0.173 2.236 388 HB2 LEU 59 2HB LEU 59 -12.404 -0.422 -0.362 389 HB3 LEU 59 1HB LEU 59 -13.821 0.322 0.351 390 HG LEU 59 HG LEU 59 -12.193 1.844 -0.890 391 HD11 LEU 59 1HD1 LEU 59 -13.764 2.248 1.429 392 HD12 LEU 59 2HD1 LEU 59 -12.301 3.223 1.590 393 HD13 LEU 59 3HD1 LEU 59 -13.334 3.409 0.172 394 HD21 LEU 59 3HD2 LEU 59 -10.054 1.528 -0.276 395 HD22 LEU 59 1HD2 LEU 59 -10.467 2.634 1.036 396 HD23 LEU 59 2HD2 LEU 59 -10.493 0.891 1.311 397 H SER 60 H SER 60 -13.063 1.346 3.463 398 HA SER 60 HA SER 60 -14.993 -0.082 4.942 399 HB2 SER 60 2HB SER 60 -14.544 2.907 4.712 400 HB3 SER 60 1HB SER 60 -15.508 2.115 5.955 401 HG SER 60 HG SER 60 -12.718 1.971 5.528 402 H GLY 61 H GLY 61 -16.541 -0.961 3.633 403 HA2 GLY 61 1HA GLY 61 -18.870 -0.604 3.051 404 HA3 GLY 61 2HA GLY 61 -18.403 0.951 2.376 405 H ASN 62 H ASN 62 -16.465 0.578 0.714 406 HA ASN 62 HA ASN 62 -17.639 -0.823 -1.475 407 HB2 ASN 62 2HB ASN 62 -16.165 1.299 -1.520 408 HB3 ASN 62 1HB ASN 62 -14.803 0.190 -1.415 409 HD21 ASN 62 1HD2 ASN 62 -15.478 2.021 -3.533 410 HD22 ASN 62 2HD2 ASN 62 -15.694 1.068 -4.964 411 H THR 63 H THR 63 -17.716 -3.006 -1.210 412 HA THR 63 HA THR 63 -15.420 -4.475 -0.262 413 HB THR 63 HB THR 63 -17.354 -6.196 -1.479 414 HG1 THR 63 1HG THR 63 -18.410 -4.170 0.238 415 HG21 THR 63 3HG2 THR 63 -17.354 -7.229 0.597 416 HG22 THR 63 1HG2 THR 63 -17.137 -5.712 1.469 417 HG23 THR 63 2HG2 THR 63 -15.783 -6.427 0.591 418 H GLY 64 H GLY 64 -14.106 -3.491 -2.020 419 HA2 GLY 64 1HA GLY 64 -13.661 -5.441 -4.066 420 HA3 GLY 64 2HA GLY 64 -14.312 -3.939 -4.713 421 H SER 65 H SER 65 -13.135 -1.965 -3.466 422 HA SER 65 HA SER 65 -10.428 -2.008 -4.273 423 HB2 SER 65 2HB SER 65 -11.187 0.048 -2.306 424 HB3 SER 65 1HB SER 65 -10.542 0.231 -3.937 425 HG SER 65 HG SER 65 -12.521 0.855 -4.353 426 H ALA 66 H ALA 66 -8.764 -2.870 -3.229 427 HA ALA 66 HA ALA 66 -9.012 -3.297 -0.332 428 HB1 ALA 66 1HB ALA 66 -8.987 -5.345 -1.830 429 HB2 ALA 66 2HB ALA 66 -7.299 -4.954 -2.163 430 HB3 ALA 66 3HB ALA 66 -7.813 -5.315 -0.515 431 H CYS 67 H CYS 67 -7.293 -2.790 0.970 432 HA CYS 67 HA CYS 67 -5.186 -1.196 -0.318 433 HB2 CYS 67 2HB CYS 67 -6.836 -0.806 2.084 434 HB3 CYS 67 1HB CYS 67 -5.122 -0.493 2.330 435 H ALA 68 H ALA 68 -3.154 -1.878 -0.152 436 HA ALA 68 HA ALA 68 -2.548 -3.893 1.904 437 HB1 ALA 68 1HB ALA 68 -0.754 -3.501 -0.442 438 HB2 ALA 68 2HB ALA 68 -1.080 -4.958 0.499 439 HB3 ALA 68 3HB ALA 68 -2.272 -4.373 -0.659 440 H LYS 69 H LYS 69 -0.771 -3.607 3.209 441 HA LYS 69 HA LYS 69 0.061 -0.819 3.425 442 HB2 LYS 69 2HB LYS 69 -0.096 -3.130 5.320 443 HB3 LYS 69 1HB LYS 69 1.016 -1.817 5.670 444 HG2 LYS 69 2HG LYS 69 -1.071 -1.471 6.828 445 HG3 LYS 69 1HG LYS 69 -0.853 -0.226 5.595 446 HD2 LYS 69 2HD LYS 69 -3.073 -0.840 5.314 447 HD3 LYS 69 1HD LYS 69 -2.251 -1.817 4.096 448 HE2 LYS 69 2HE LYS 69 -3.930 -3.101 5.351 449 HE3 LYS 69 1HE LYS 69 -2.298 -3.738 5.576 450 HZ1 LYS 69 3HZ LYS 69 -3.842 -3.409 7.607 451 HZ2 LYS 69 1HZ LYS 69 -3.373 -1.785 7.490 452 HZ3 LYS 69 2HZ LYS 69 -2.202 -2.987 7.725 453 H ALA 70 H ALA 70 2.373 -0.603 4.418 454 HA ALA 70 HA ALA 70 4.206 -1.423 2.455 455 HB1 ALA 70 1HB ALA 70 4.630 0.565 3.713 456 HB2 ALA 70 2HB ALA 70 4.669 -0.341 5.227 457 HB3 ALA 70 3HB ALA 70 5.938 -0.576 4.024 458 H SER 71 H SER 71 3.276 -2.856 5.517 459 HA SER 71 HA SER 71 5.405 -4.717 5.693 460 HB2 SER 71 2HB SER 71 4.375 -5.398 7.598 461 HB3 SER 71 1HB SER 71 3.342 -3.991 7.351 462 HG SER 71 HG SER 71 1.735 -5.320 7.120 463 H LEU 72 H LEU 72 2.270 -4.709 4.129 464 HA LEU 72 HA LEU 72 2.371 -7.437 3.280 465 HB2 LEU 72 2HB LEU 72 0.486 -5.313 3.256 466 HB3 LEU 72 1HB LEU 72 0.682 -5.861 1.602 467 HG LEU 72 HG LEU 72 -1.046 -7.193 2.301 468 HD11 LEU 72 1HD1 LEU 72 -0.195 -9.212 1.925 469 HD12 LEU 72 2HD1 LEU 72 1.392 -8.443 1.975 470 HD13 LEU 72 3HD1 LEU 72 0.728 -9.190 3.428 471 HD21 LEU 72 3HD2 LEU 72 -1.587 -6.911 4.459 472 HD22 LEU 72 1HD2 LEU 72 -0.596 -8.342 4.741 473 HD23 LEU 72 2HD2 LEU 72 0.096 -6.734 4.958 474 H ILE 73 H ILE 73 3.187 -4.319 1.863 475 HA ILE 73 HA ILE 73 3.800 -5.208 -0.723 476 HB ILE 73 HB ILE 73 4.622 -2.849 0.919 477 HG12 ILE 73 2HG1 ILE 73 3.682 -2.539 -1.850 478 HG13 ILE 73 1HG1 ILE 73 2.551 -3.378 -0.793 479 HG21 ILE 73 1HG2 ILE 73 5.754 -3.303 -1.831 480 HG22 ILE 73 2HG2 ILE 73 6.128 -2.005 -0.697 481 HG23 ILE 73 3HG2 ILE 73 6.652 -3.654 -0.354 482 HD11 ILE 73 3HD1 ILE 73 1.848 -1.317 -0.305 483 HD12 ILE 73 1HD1 ILE 73 3.254 -1.269 0.757 484 HD13 ILE 73 2HD1 ILE 73 3.344 -0.564 -0.859 485 H ASP 74 H ASP 74 5.725 -5.002 2.210 486 HA ASP 74 HA ASP 74 8.097 -6.116 1.048 487 HB2 ASP 74 2HB ASP 74 7.753 -4.602 3.184 488 HB3 ASP 74 1HB ASP 74 7.577 -6.158 3.989 489 H GLN 75 H GLN 75 5.178 -7.436 1.859 490 HA GLN 75 HA GLN 75 6.239 -9.966 2.847 491 HB2 GLN 75 2HB GLN 75 4.010 -8.563 3.525 492 HB3 GLN 75 1HB GLN 75 3.347 -9.709 2.369 493 HG2 GLN 75 2HG GLN 75 3.183 -10.501 4.671 494 HG3 GLN 75 1HG GLN 75 4.170 -11.560 3.665 495 HE21 GLN 75 1HE2 GLN 75 5.217 -8.484 4.978 496 HE22 GLN 75 2HE2 GLN 75 6.419 -9.142 6.041 497 H LEU 76 H LEU 76 4.072 -8.833 0.228 498 HA LEU 76 HA LEU 76 4.667 -11.369 -1.160 499 HB2 LEU 76 2HB LEU 76 2.084 -10.021 -0.613 500 HB3 LEU 76 1HB LEU 76 2.258 -10.804 -2.169 501 HG LEU 76 HG LEU 76 1.316 -12.496 -0.948 502 HD11 LEU 76 1HD1 LEU 76 3.567 -13.188 -1.839 503 HD12 LEU 76 2HD1 LEU 76 4.189 -12.976 -0.201 504 HD13 LEU 76 3HD1 LEU 76 2.933 -14.174 -0.519 505 HD21 LEU 76 3HD2 LEU 76 1.237 -12.648 1.306 506 HD22 LEU 76 1HD2 LEU 76 2.938 -12.231 1.504 507 HD23 LEU 76 2HD2 LEU 76 1.750 -10.964 1.200 508 H GLY 77 H GLY 77 4.966 -8.055 -1.370 509 HA2 GLY 77 1HA GLY 77 5.643 -6.682 -3.085 510 HA3 GLY 77 2HA GLY 77 5.934 -8.137 -4.025 511 H LEU 78 H LEU 78 2.985 -6.649 -2.703 512 HA LEU 78 HA LEU 78 1.434 -7.405 -4.964 513 HB2 LEU 78 2HB LEU 78 0.855 -5.532 -2.678 514 HB3 LEU 78 1HB LEU 78 -0.322 -5.956 -3.907 515 HG LEU 78 HG LEU 78 0.452 -8.422 -3.062 516 HD11 LEU 78 1HD1 LEU 78 1.540 -6.725 -1.158 517 HD12 LEU 78 2HD1 LEU 78 0.049 -7.311 -0.418 518 HD13 LEU 78 3HD1 LEU 78 1.262 -8.458 -0.990 519 HD21 LEU 78 3HD2 LEU 78 -1.719 -6.797 -1.754 520 HD22 LEU 78 1HD2 LEU 78 -1.836 -7.455 -3.387 521 HD23 LEU 78 2HD2 LEU 78 -1.675 -8.541 -2.008 522 H LEU 79 H LEU 79 2.148 -6.489 -6.851 523 HA LEU 79 HA LEU 79 2.596 -3.635 -6.983 524 HB2 LEU 79 2HB LEU 79 2.696 -4.497 -9.574 525 HB3 LEU 79 1HB LEU 79 4.064 -4.404 -8.483 526 HG LEU 79 HG LEU 79 2.997 -6.895 -7.929 527 HD11 LEU 79 1HD1 LEU 79 2.351 -6.114 -10.688 528 HD12 LEU 79 2HD1 LEU 79 3.156 -7.673 -10.510 529 HD13 LEU 79 3HD1 LEU 79 1.642 -7.360 -9.660 530 HD21 LEU 79 3HD2 LEU 79 5.052 -6.850 -10.019 531 HD22 LEU 79 1HD2 LEU 79 5.401 -5.824 -8.627 532 HD23 LEU 79 2HD2 LEU 79 5.096 -7.545 -8.398 533 H ALA 80 H ALA 80 -0.133 -4.953 -6.551 534 HA ALA 80 HA ALA 80 -1.637 -4.154 -8.877 535 HB1 ALA 80 1HB ALA 80 -2.480 -6.035 -7.704 536 HB2 ALA 80 2HB ALA 80 -2.470 -5.170 -6.169 537 HB3 ALA 80 3HB ALA 80 -3.619 -4.716 -7.430 538 H LEU 81 H LEU 81 -0.651 -2.747 -5.868 539 HA LEU 81 HA LEU 81 -2.274 -0.375 -6.490 540 HB2 LEU 81 2HB LEU 81 -1.997 -0.068 -3.871 541 HB3 LEU 81 1HB LEU 81 -3.346 -0.927 -4.594 542 HG LEU 81 HG LEU 81 -1.220 -2.780 -4.197 543 HD11 LEU 81 1HD1 LEU 81 -1.731 -2.343 -1.511 544 HD12 LEU 81 2HD1 LEU 81 -0.218 -2.026 -2.362 545 HD13 LEU 81 3HD1 LEU 81 -1.402 -0.734 -2.157 546 HD21 LEU 81 3HD2 LEU 81 -3.857 -2.840 -4.234 547 HD22 LEU 81 1HD2 LEU 81 -2.912 -4.057 -3.371 548 HD23 LEU 81 2HD2 LEU 81 -3.642 -2.716 -2.487 549 H VAL 82 H VAL 82 0.797 -1.554 -6.277 550 HA VAL 82 HA VAL 82 1.862 0.978 -5.275 551 HB VAL 82 HB VAL 82 2.569 -1.306 -4.258 552 HG11 VAL 82 1HG1 VAL 82 3.109 -2.245 -6.561 553 HG12 VAL 82 2HG1 VAL 82 4.565 -1.254 -6.501 554 HG13 VAL 82 3HG1 VAL 82 4.301 -2.510 -5.290 555 HG21 VAL 82 3HG2 VAL 82 4.921 -0.417 -3.959 556 HG22 VAL 82 1HG2 VAL 82 4.459 0.893 -5.047 557 HG23 VAL 82 2HG2 VAL 82 3.608 0.673 -3.517 558 H ASP 83 H ASP 83 3.191 2.206 -6.453 559 HA ASP 83 HA ASP 83 3.877 1.298 -9.165 560 HB2 ASP 83 2HB ASP 83 1.950 3.112 -8.820 561 HB3 ASP 83 1HB ASP 83 3.329 4.195 -8.689 562 H HIS 84 H HIS 84 5.572 2.964 -10.080 563 HA HIS 84 HA HIS 84 7.438 3.677 -7.928 564 HB2 HIS 84 2HB HIS 84 7.887 1.408 -9.245 565 HB3 HIS 84 1HB HIS 84 8.591 2.517 -10.420 566 HD1 HIS 84 1HD HIS 84 9.300 0.784 -7.287 567 HD2 HIS 84 2HD HIS 84 10.766 4.107 -9.322 568 HE1 HIS 84 1HE HIS 84 11.486 1.354 -6.179 569 HE2 HIS 84 2HE HIS 84 12.461 3.190 -7.601 570 H THR 85 H THR 85 7.486 5.810 -8.096 571 HA THR 85 HA THR 85 7.549 7.180 -10.630 572 HB THR 85 HB THR 85 8.072 9.182 -9.129 573 HG1 THR 85 1HG THR 85 7.882 8.839 -6.911 574 HG21 THR 85 3HG2 THR 85 5.798 9.364 -8.328 575 HG22 THR 85 1HG2 THR 85 5.585 7.615 -8.422 576 HG23 THR 85 2HG2 THR 85 5.782 8.562 -9.899 577 H GLU 86 H GLU 86 9.510 9.076 -10.405 578 HA GLU 86 HA GLU 86 11.948 7.589 -10.726 579 HB2 GLU 86 2HB GLU 86 11.700 10.587 -10.478 580 HB3 GLU 86 1HB GLU 86 12.977 9.674 -11.269 581 HG2 GLU 86 2HG GLU 86 11.868 10.156 -13.142 582 HG3 GLU 86 1HG GLU 86 10.799 8.840 -12.656 583 H GLU 87 H GLU 87 10.634 7.453 -8.132 584 HA GLU 87 HA GLU 87 12.843 8.384 -6.439 585 HB2 GLU 87 2HB GLU 87 9.879 8.480 -5.918 586 HB3 GLU 87 1HB GLU 87 11.046 8.499 -4.603 587 HG2 GLU 87 2HG GLU 87 11.734 10.444 -6.611 588 HG3 GLU 87 1HG GLU 87 10.082 10.674 -6.038 589 H GLY 88 H GLY 88 10.191 6.707 -5.053 590 HA2 GLY 88 1HA GLY 88 11.584 4.127 -5.290 591 HA3 GLY 88 2HA GLY 88 11.114 4.736 -3.705 592 HA PRO 89 HA PRO 89 7.515 2.238 -5.210 593 HB2 PRO 89 2HB PRO 89 7.394 1.388 -2.408 594 HB3 PRO 89 1HB PRO 89 7.493 0.402 -3.869 595 HG2 PRO 89 2HG PRO 89 9.550 0.626 -2.129 596 HG3 PRO 89 1HG PRO 89 9.791 0.394 -3.871 597 HD2 PRO 89 2HD PRO 89 9.996 2.906 -2.245 598 HD3 PRO 89 1HD PRO 89 11.021 2.341 -3.583 599 H VAL 90 H VAL 90 5.746 3.453 -5.340 600 HA VAL 90 HA VAL 90 4.973 5.032 -2.985 601 HB VAL 90 HB VAL 90 4.194 6.789 -4.701 602 HG11 VAL 90 1HG1 VAL 90 5.833 7.840 -3.625 603 HG12 VAL 90 2HG1 VAL 90 6.732 6.338 -3.408 604 HG13 VAL 90 3HG1 VAL 90 6.936 7.282 -4.882 605 HG21 VAL 90 3HG2 VAL 90 4.533 5.473 -6.710 606 HG22 VAL 90 1HG2 VAL 90 5.590 6.885 -6.740 607 HG23 VAL 90 2HG2 VAL 90 6.249 5.296 -6.340 608 H CYS 91 H CYS 91 2.743 5.971 -3.278 609 HA CYS 91 HA CYS 91 0.873 3.897 -3.728 610 HB2 CYS 91 2HB CYS 91 0.770 6.049 -2.205 611 HB3 CYS 91 1HB CYS 91 0.052 6.772 -3.638 612 H LYS 92 H LYS 92 0.117 3.222 -5.600 613 HA LYS 92 HA LYS 92 0.681 4.535 -8.053 614 HB2 LYS 92 2HB LYS 92 0.402 2.053 -7.688 615 HB3 LYS 92 1HB LYS 92 -1.328 2.339 -7.579 616 HG2 LYS 92 2HG LYS 92 -1.543 2.760 -9.812 617 HG3 LYS 92 1HG LYS 92 0.117 3.339 -9.974 618 HD2 LYS 92 2HD LYS 92 0.981 1.124 -9.863 619 HD3 LYS 92 1HD LYS 92 -0.600 0.472 -9.425 620 HE2 LYS 92 2HE LYS 92 -0.239 -0.004 -11.733 621 HE3 LYS 92 1HE LYS 92 -1.452 1.273 -11.635 622 HZ1 LYS 92 3HZ LYS 92 1.061 1.299 -12.924 623 HZ2 LYS 92 1HZ LYS 92 1.012 2.540 -11.764 624 HZ3 LYS 92 2HZ LYS 92 -0.171 2.454 -12.979 625 H ASN 93 H ASN 93 -2.023 4.567 -5.863 626 HA ASN 93 HA ASN 93 -3.412 6.487 -7.533 627 HB2 ASN 93 2HB ASN 93 -4.114 3.700 -7.536 628 HB3 ASN 93 1HB ASN 93 -5.431 4.641 -6.848 629 HD21 ASN 93 1HD2 ASN 93 -3.505 4.044 -9.658 630 HD22 ASN 93 2HD2 ASN 93 -4.515 4.870 -10.781 631 H ILE 94 H ILE 94 -5.280 4.590 -5.379 632 HA ILE 94 HA ILE 94 -6.059 7.003 -4.043 633 HB ILE 94 HB ILE 94 -6.966 4.150 -3.660 634 HG12 ILE 94 2HG1 ILE 94 -8.839 5.991 -4.897 635 HG13 ILE 94 1HG1 ILE 94 -7.344 5.870 -5.821 636 HG21 ILE 94 1HG2 ILE 94 -8.357 4.800 -2.056 637 HG22 ILE 94 2HG2 ILE 94 -7.397 6.277 -1.965 638 HG23 ILE 94 3HG2 ILE 94 -8.854 6.232 -2.959 639 HD11 ILE 94 3HD1 ILE 94 -8.368 3.292 -4.949 640 HD12 ILE 94 1HD1 ILE 94 -9.475 4.175 -6.001 641 HD13 ILE 94 2HD1 ILE 94 -7.833 3.825 -6.541 642 H VAL 95 H VAL 95 -5.316 7.751 -2.170 643 HA VAL 95 HA VAL 95 -3.656 6.043 -0.483 644 HB VAL 95 HB VAL 95 -2.484 7.940 -0.278 645 HG11 VAL 95 1HG1 VAL 95 -4.410 10.049 -0.805 646 HG12 VAL 95 2HG1 VAL 95 -2.890 9.667 -1.618 647 HG13 VAL 95 3HG1 VAL 95 -4.373 8.825 -2.074 648 HG21 VAL 95 3HG2 VAL 95 -4.510 9.537 1.141 649 HG22 VAL 95 1HG2 VAL 95 -4.197 7.938 1.817 650 HG23 VAL 95 2HG2 VAL 95 -2.873 9.087 1.619 651 H ALA 96 H ALA 96 -4.281 5.275 1.465 652 HA ALA 96 HA ALA 96 -6.703 6.233 2.732 653 HB1 ALA 96 1HB ALA 96 -8.105 4.594 2.146 654 HB2 ALA 96 2HB ALA 96 -6.963 4.242 0.850 655 HB3 ALA 96 3HB ALA 96 -6.875 3.348 2.369 656 H CYS 97 H CYS 97 -7.071 5.206 4.827 657 HA CYS 97 HA CYS 97 -4.546 4.233 5.986 658 HB2 CYS 97 2HB CYS 97 -6.195 6.323 6.795 659 HB3 CYS 97 1HB CYS 97 -6.588 5.020 7.912 660 H CYS 98 H CYS 98 -4.448 2.176 6.451 661 HA CYS 98 HA CYS 98 -6.933 0.682 6.985 662 HB2 CYS 98 2HB CYS 98 -5.921 0.491 4.608 663 HB3 CYS 98 1HB CYS 98 -4.663 -0.463 5.387 664 HA PRO 99 HA PRO 99 -4.335 -0.474 10.449 665 HB2 PRO 99 2HB PRO 99 -6.213 -1.837 11.825 666 HB3 PRO 99 1HB PRO 99 -6.212 -0.073 11.728 667 HG2 PRO 99 2HG PRO 99 -7.831 -2.045 10.165 668 HG3 PRO 99 1HG PRO 99 -8.354 -0.534 10.935 669 HD2 PRO 99 2HD PRO 99 -7.810 -0.727 8.279 670 HD3 PRO 99 1HD PRO 99 -7.559 0.764 9.209 671 H GLU 100 H GLU 100 -3.104 -2.273 10.951 672 HA GLU 100 HA GLU 100 -3.618 -4.720 9.459 673 HB2 GLU 100 2HB GLU 100 -1.304 -3.460 10.500 674 HB3 GLU 100 1HB GLU 100 -1.467 -4.996 11.340 675 HG2 GLU 100 2HG GLU 100 -0.392 -5.869 9.592 676 HG3 GLU 100 1HG GLU 100 -1.921 -5.703 8.724 677 H GLY 101 H GLY 101 -4.565 -6.483 10.276 678 HA2 GLY 101 1HA GLY 101 -4.613 -7.930 12.356 679 HA3 GLY 101 2HA GLY 101 -5.172 -6.471 13.164 680 H THR 102 H THR 102 -7.081 -5.419 11.878 681 HA THR 102 HA THR 102 -8.817 -7.084 10.372 682 HB THR 102 HB THR 102 -10.459 -6.426 12.633 683 HG1 THR 102 1HG THR 102 -8.219 -8.098 13.215 684 HG21 THR 102 3HG2 THR 102 -9.672 -8.988 11.257 685 HG22 THR 102 1HG2 THR 102 -11.148 -8.048 11.046 686 HG23 THR 102 2HG2 THR 102 -10.866 -8.920 12.554 687 H THR 103 H THR 103 -11.046 -5.976 10.226 688 HA THR 103 HA THR 103 -12.401 -4.172 9.986 689 HB THR 103 HB THR 103 -10.256 -2.454 11.246 690 HG1 THR 103 1HG THR 103 -10.754 -3.453 13.030 691 HG21 THR 103 3HG2 THR 103 -12.888 -1.598 11.853 692 HG22 THR 103 1HG2 THR 103 -12.802 -1.863 10.111 693 HG23 THR 103 2HG2 THR 103 -11.662 -0.767 10.893 694 H ASN 104 H ASN 104 -12.788 -2.688 8.457 695 HA ASN 104 HA ASN 104 -11.128 -2.809 6.157 696 HB2 ASN 104 2HB ASN 104 -12.966 -0.894 5.547 697 HB3 ASN 104 1HB ASN 104 -13.262 -2.622 5.409 698 HD21 ASN 104 1HD2 ASN 104 -14.046 0.282 7.038 699 HD22 ASN 104 2HD2 ASN 104 -15.256 -0.373 8.094 700 H CYS 105 H CYS 105 -10.876 -0.623 4.890 701 HA CYS 105 HA CYS 105 -9.330 1.126 6.688 702 HB2 CYS 105 2HB CYS 105 -8.740 1.321 3.828 703 HB3 CYS 105 1HB CYS 105 -7.648 1.073 5.187 704 H VAL 106 H VAL 106 -9.563 3.306 6.591 705 HA VAL 106 HA VAL 106 -11.890 4.341 5.207 706 HB VAL 106 HB VAL 106 -11.717 6.279 6.550 707 HG11 VAL 106 1HG1 VAL 106 -10.748 3.982 8.244 708 HG12 VAL 106 2HG1 VAL 106 -11.582 5.426 8.821 709 HG13 VAL 106 3HG1 VAL 106 -12.421 4.284 7.773 710 HG21 VAL 106 3HG2 VAL 106 -9.779 7.261 7.014 711 HG22 VAL 106 1HG2 VAL 106 -9.337 5.922 8.073 712 HG23 VAL 106 2HG2 VAL 106 -8.914 5.868 6.361 713 H ALA 107 H ALA 107 -11.830 6.023 3.687 714 HA ALA 107 HA ALA 107 -9.229 6.294 2.345 715 HB1 ALA 107 1HB ALA 107 -10.221 5.924 0.388 716 HB2 ALA 107 2HB ALA 107 -11.605 5.361 1.323 717 HB3 ALA 107 3HB ALA 107 -11.546 7.029 0.755 718 H VAL 108 H VAL 108 -8.303 8.188 2.449 719 HA VAL 108 HA VAL 108 -9.943 10.580 2.958 720 HB VAL 108 HB VAL 108 -7.462 11.516 3.343 721 HG11 VAL 108 1HG1 VAL 108 -9.612 10.612 4.994 722 HG12 VAL 108 2HG1 VAL 108 -8.077 10.272 5.795 723 HG13 VAL 108 3HG1 VAL 108 -8.460 11.915 5.279 724 HG21 VAL 108 3HG2 VAL 108 -7.200 8.708 4.380 725 HG22 VAL 108 1HG2 VAL 108 -6.572 9.194 2.806 726 HG23 VAL 108 2HG2 VAL 108 -5.964 9.966 4.272 727 H ASP 109 H ASP 109 -9.701 9.319 0.420 728 HA ASP 109 HA ASP 109 -7.716 10.622 -1.187 729 HB2 ASP 109 2HB ASP 109 -8.927 9.492 -3.077 730 HB3 ASP 109 1HB ASP 109 -8.369 8.404 -1.815 731 H ASN 110 H ASN 110 -10.717 11.532 -0.009 732 HA ASN 110 HA ASN 110 -11.760 13.043 -2.126 733 HB2 ASN 110 2HB ASN 110 -12.757 14.389 -0.053 734 HB3 ASN 110 1HB ASN 110 -13.361 12.805 -0.523 735 HD21 ASN 110 1HD2 ASN 110 -13.158 11.117 0.851 736 HD22 ASN 110 2HD2 ASN 110 -12.407 11.230 2.411 737 H ALA 111 H ALA 111 -9.832 14.074 0.626 738 HA ALA 111 HA ALA 111 -9.339 16.640 -0.693 739 HB1 ALA 111 1HB ALA 111 -8.749 17.514 1.390 740 HB2 ALA 111 2HB ALA 111 -10.103 16.437 1.731 741 HB3 ALA 111 3HB ALA 111 -8.455 15.916 2.077 742 H GLY 112 H GLY 112 -8.112 14.604 -1.962 743 HA2 GLY 112 1HA GLY 112 -5.306 15.277 -1.540 744 HA3 GLY 112 2HA GLY 112 -5.734 13.572 -1.476 745 H ALA 113 H ALA 113 -6.258 16.416 -3.547 746 HA ALA 113 HA ALA 113 -6.700 14.771 -5.870 747 HB1 ALA 113 1HB ALA 113 -7.729 16.585 -6.637 748 HB2 ALA 113 2HB ALA 113 -7.337 17.389 -5.116 749 HB3 ALA 113 3HB ALA 113 -6.253 17.542 -6.498 750 H GLY 114 H GLY 114 -4.475 13.779 -5.420 751 HA2 GLY 114 1HA GLY 114 -2.725 13.964 -7.385 752 HA3 GLY 114 2HA GLY 114 -2.262 15.389 -6.460 753 H THR 115 H THR 115 -2.439 11.904 -6.477 754 HA THR 115 HA THR 115 -1.339 11.608 -3.855 755 HB THR 115 HB THR 115 -2.880 9.941 -4.873 756 HG1 THR 115 1HG THR 115 -1.728 8.130 -4.080 757 HG21 THR 115 3HG2 THR 115 -1.130 8.265 -6.263 758 HG22 THR 115 1HG2 THR 115 -0.868 9.878 -6.929 759 HG23 THR 115 2HG2 THR 115 -2.486 9.179 -6.922 760 H LYS 116 H LYS 116 0.676 11.967 -3.345 761 HA LYS 116 HA LYS 116 2.938 12.014 -3.336 762 HB2 LYS 116 2HB LYS 116 3.076 9.974 -5.520 763 HB3 LYS 116 1HB LYS 116 4.096 10.155 -4.102 764 HG2 LYS 116 2HG LYS 116 1.222 9.351 -3.841 765 HG3 LYS 116 1HG LYS 116 2.479 8.166 -4.205 766 HD2 LYS 116 2HD LYS 116 3.351 8.262 -2.123 767 HD3 LYS 116 1HD LYS 116 3.052 9.996 -1.965 768 HE2 LYS 116 2HE LYS 116 1.128 7.725 -1.546 769 HE3 LYS 116 1HE LYS 116 1.657 8.930 -0.376 770 HZ1 LYS 116 3HZ LYS 116 -0.544 9.457 -1.104 771 HZ2 LYS 116 1HZ LYS 116 -0.096 9.387 -2.738 772 HZ3 LYS 116 2HZ LYS 116 0.506 10.623 -1.746 773 H ALA 117 H ALA 117 1.755 13.947 -4.855 774 HA ALA 117 HA ALA 117 3.509 14.163 -7.203 775 HB1 ALA 117 1HB ALA 117 1.438 14.072 -8.179 776 HB2 ALA 117 2HB ALA 117 0.640 14.870 -6.822 777 HB3 ALA 117 3HB ALA 117 1.618 15.810 -7.951 778 H GLU 118 H GLU 118 4.558 16.073 -7.579 779 HA GLU 118 HA GLU 118 4.021 18.373 -5.897 780 HB2 GLU 118 2HB GLU 118 6.351 18.645 -5.217 781 HB3 GLU 118 1HB GLU 118 5.728 17.106 -4.639 782 HG2 GLU 118 2HG GLU 118 6.793 16.106 -6.743 783 HG3 GLU 118 1HG GLU 118 7.679 17.625 -6.848 Start of MODEL 19 1 H1 SER 1 1H SER 1 21.041 -10.689 0.650 2 H2 SER 1 2H SER 1 20.540 -11.231 2.180 3 H3 SER 1 3H SER 1 20.461 -9.584 1.801 4 HA SER 1 HA SER 1 18.290 -10.232 1.566 5 HB2 SER 1 2HB SER 1 19.419 -10.741 -1.194 6 HB3 SER 1 1HB SER 1 17.823 -10.104 -0.793 7 HG SER 1 HG SER 1 18.947 -8.271 0.143 8 H LEU 2 H LEU 2 16.808 -11.845 1.593 9 HA LEU 2 HA LEU 2 17.728 -14.544 1.672 10 HB2 LEU 2 2HB LEU 2 15.561 -13.168 2.688 11 HB3 LEU 2 1HB LEU 2 14.839 -14.177 1.449 12 HG LEU 2 HG LEU 2 16.612 -15.807 2.963 13 HD11 LEU 2 1HD1 LEU 2 16.506 -15.047 5.038 14 HD12 LEU 2 2HD1 LEU 2 15.472 -13.711 4.530 15 HD13 LEU 2 3HD1 LEU 2 14.753 -15.251 4.998 16 HD21 LEU 2 3HD2 LEU 2 14.841 -17.228 2.980 17 HD22 LEU 2 1HD2 LEU 2 13.678 -15.954 3.353 18 HD23 LEU 2 2HD2 LEU 2 14.289 -16.138 1.709 19 HA PRO 3 HA PRO 3 17.102 -15.551 -2.602 20 HB2 PRO 3 2HB PRO 3 17.040 -18.359 -1.794 21 HB3 PRO 3 1HB PRO 3 18.275 -17.493 -2.710 22 HG2 PRO 3 2HG PRO 3 18.711 -18.371 -0.195 23 HG3 PRO 3 1HG PRO 3 19.436 -16.874 -0.816 24 HD2 PRO 3 2HD PRO 3 17.001 -17.221 0.907 25 HD3 PRO 3 1HD PRO 3 18.351 -16.075 1.089 26 H ALA 4 H ALA 4 15.754 -17.296 -3.847 27 HA ALA 4 HA ALA 4 13.749 -18.048 -4.560 28 HB1 ALA 4 1HB ALA 4 13.273 -18.229 -1.605 29 HB2 ALA 4 2HB ALA 4 12.026 -18.657 -2.776 30 HB3 ALA 4 3HB ALA 4 13.561 -19.526 -2.764 31 H SER 5 H SER 5 12.755 -16.043 -1.786 32 HA SER 5 HA SER 5 10.639 -14.819 -3.258 33 HB2 SER 5 2HB SER 5 11.180 -13.314 -0.932 34 HB3 SER 5 1HB SER 5 9.943 -14.555 -1.142 35 HG SER 5 HG SER 5 12.608 -14.898 -0.221 36 H ALA 6 H ALA 6 10.475 -12.734 -4.049 37 HA ALA 6 HA ALA 6 12.929 -11.449 -4.812 38 HB1 ALA 6 1HB ALA 6 11.284 -11.370 -6.470 39 HB2 ALA 6 2HB ALA 6 10.026 -10.882 -5.333 40 HB3 ALA 6 3HB ALA 6 11.286 -9.737 -5.800 41 H ALA 7 H ALA 7 13.445 -11.238 -2.411 42 HA ALA 7 HA ALA 7 12.045 -9.267 -0.879 43 HB1 ALA 7 1HB ALA 7 13.484 -11.334 -0.131 44 HB2 ALA 7 2HB ALA 7 14.795 -10.155 -0.166 45 HB3 ALA 7 3HB ALA 7 13.393 -9.883 0.869 46 H LYS 8 H LYS 8 14.053 -8.881 -3.454 47 HA LYS 8 HA LYS 8 15.553 -6.622 -2.437 48 HB2 LYS 8 2HB LYS 8 15.477 -8.159 -4.975 49 HB3 LYS 8 1HB LYS 8 15.951 -6.472 -5.096 50 HG2 LYS 8 2HG LYS 8 17.255 -8.440 -3.233 51 HG3 LYS 8 1HG LYS 8 17.841 -8.079 -4.859 52 HD2 LYS 8 2HD LYS 8 17.839 -5.627 -4.093 53 HD3 LYS 8 1HD LYS 8 17.715 -6.281 -2.458 54 HE2 LYS 8 2HE LYS 8 19.790 -7.398 -2.644 55 HE3 LYS 8 1HE LYS 8 19.850 -7.156 -4.389 56 HZ1 LYS 8 3HZ LYS 8 20.509 -4.993 -4.160 57 HZ2 LYS 8 1HZ LYS 8 21.232 -5.653 -2.775 58 HZ3 LYS 8 2HZ LYS 8 19.776 -4.796 -2.642 59 H ASN 9 H ASN 9 12.455 -7.083 -3.282 60 HA ASN 9 HA ASN 9 12.062 -4.522 -4.617 61 HB2 ASN 9 2HB ASN 9 10.115 -5.373 -5.388 62 HB3 ASN 9 1HB ASN 9 10.764 -6.921 -4.869 63 HD21 ASN 9 1HD2 ASN 9 9.995 -7.857 -2.954 64 HD22 ASN 9 2HD2 ASN 9 8.518 -7.338 -2.220 65 H ALA 10 H ALA 10 11.991 -5.894 -1.489 66 HA ALA 10 HA ALA 10 10.071 -4.184 -0.278 67 HB1 ALA 10 1HB ALA 10 10.331 -5.575 1.435 68 HB2 ALA 10 2HB ALA 10 11.519 -6.446 0.466 69 HB3 ALA 10 3HB ALA 10 12.044 -5.178 1.574 70 H LYS 11 H LYS 11 10.531 -2.040 -0.680 71 HA LYS 11 HA LYS 11 13.069 -1.039 0.419 72 HB2 LYS 11 2HB LYS 11 11.325 -0.034 -1.805 73 HB3 LYS 11 1HB LYS 11 12.447 1.039 -0.987 74 HG2 LYS 11 2HG LYS 11 14.260 0.107 -1.939 75 HG3 LYS 11 1HG LYS 11 13.576 -1.519 -1.903 76 HD2 LYS 11 2HD LYS 11 11.996 -0.062 -3.702 77 HD3 LYS 11 1HD LYS 11 13.664 0.386 -4.060 78 HE2 LYS 11 2HE LYS 11 13.198 -2.487 -3.621 79 HE3 LYS 11 1HE LYS 11 12.423 -1.807 -5.053 80 HZ1 LYS 11 3HZ LYS 11 15.317 -1.646 -4.379 81 HZ2 LYS 11 1HZ LYS 11 14.588 -0.916 -5.728 82 HZ3 LYS 11 2HZ LYS 11 14.620 -2.604 -5.588 83 H LEU 12 H LEU 12 10.318 0.960 -0.345 84 HA LEU 12 HA LEU 12 9.059 2.407 0.859 85 HB2 LEU 12 2HB LEU 12 8.957 0.014 2.288 86 HB3 LEU 12 1HB LEU 12 9.332 1.228 3.494 87 HG LEU 12 HG LEU 12 6.881 0.704 3.190 88 HD11 LEU 12 1HD1 LEU 12 7.294 2.659 4.356 89 HD12 LEU 12 2HD1 LEU 12 8.013 3.459 2.956 90 HD13 LEU 12 3HD1 LEU 12 6.270 3.202 3.027 91 HD21 LEU 12 3HD2 LEU 12 6.666 2.507 0.900 92 HD22 LEU 12 1HD2 LEU 12 7.393 0.945 0.522 93 HD23 LEU 12 2HD2 LEU 12 5.791 1.016 1.260 94 H ALA 13 H ALA 13 12.218 2.117 1.136 95 HA ALA 13 HA ALA 13 12.486 4.241 3.157 96 HB1 ALA 13 1HB ALA 13 14.223 1.932 2.442 97 HB2 ALA 13 2HB ALA 13 15.001 3.429 2.954 98 HB3 ALA 13 3HB ALA 13 13.854 2.625 4.023 99 H THR 14 H THR 14 13.298 3.165 -0.068 100 HA THR 14 HA THR 14 14.851 5.476 -0.736 101 HB THR 14 HB THR 14 13.738 4.042 -3.004 102 HG1 THR 14 1HG THR 14 15.400 2.292 -1.685 103 HG21 THR 14 3HG2 THR 14 16.153 3.642 -3.452 104 HG22 THR 14 1HG2 THR 14 16.529 4.376 -1.891 105 HG23 THR 14 2HG2 THR 14 15.774 5.340 -3.161 106 H SER 15 H SER 15 11.506 4.648 -0.713 107 HA SER 15 HA SER 15 10.697 6.612 -2.653 108 HB2 SER 15 2HB SER 15 8.645 5.658 -0.796 109 HB3 SER 15 1HB SER 15 8.705 5.560 -2.554 110 HG SER 15 HG SER 15 8.800 3.492 -1.794 111 H ALA 16 H ALA 16 11.911 8.372 -1.546 112 HA ALA 16 HA ALA 16 11.164 9.457 0.917 113 HB1 ALA 16 1HB ALA 16 13.123 10.268 -0.215 114 HB2 ALA 16 2HB ALA 16 12.160 10.818 -1.584 115 HB3 ALA 16 3HB ALA 16 12.001 11.615 -0.020 116 H ALA 17 H ALA 17 9.650 9.536 -2.201 117 HA ALA 17 HA ALA 17 7.792 11.603 -1.780 118 HB1 ALA 17 1HB ALA 17 6.910 10.997 -3.782 119 HB2 ALA 17 2HB ALA 17 8.459 10.163 -3.909 120 HB3 ALA 17 3HB ALA 17 7.014 9.273 -3.432 121 H PHE 18 H PHE 18 7.795 8.211 -0.848 122 HA PHE 18 HA PHE 18 5.013 8.108 -0.159 123 HB2 PHE 18 2HB PHE 18 6.644 6.132 -0.688 124 HB3 PHE 18 1HB PHE 18 7.069 6.252 1.017 125 HD1 PHE 18 1HD PHE 18 4.459 5.394 -1.384 126 HD2 PHE 18 2HD PHE 18 5.477 5.638 2.740 127 HE1 PHE 18 1HE PHE 18 2.492 4.027 -0.827 128 HE2 PHE 18 2HE PHE 18 3.511 4.270 3.310 129 HZ PHE 18 HZ PHE 18 2.014 3.461 1.523 130 H ALA 19 H ALA 19 8.000 8.876 1.467 131 HA ALA 19 HA ALA 19 6.987 9.049 4.098 132 HB1 ALA 19 1HB ALA 19 9.261 9.077 4.129 133 HB2 ALA 19 2HB ALA 19 9.379 10.072 2.678 134 HB3 ALA 19 3HB ALA 19 8.955 10.811 4.223 135 H LYS 20 H LYS 20 7.155 11.396 1.435 136 HA LYS 20 HA LYS 20 6.060 13.570 2.923 137 HB2 LYS 20 2HB LYS 20 6.052 13.062 -0.064 138 HB3 LYS 20 1HB LYS 20 5.662 14.593 0.705 139 HG2 LYS 20 2HG LYS 20 7.821 15.118 1.055 140 HG3 LYS 20 1HG LYS 20 8.284 13.452 1.403 141 HD2 LYS 20 2HD LYS 20 9.199 13.373 -0.627 142 HD3 LYS 20 1HD LYS 20 7.565 13.452 -1.290 143 HE2 LYS 20 2HE LYS 20 8.299 15.309 -2.310 144 HE3 LYS 20 1HE LYS 20 8.049 16.067 -0.737 145 HZ1 LYS 20 3HZ LYS 20 10.443 15.739 -2.161 146 HZ2 LYS 20 1HZ LYS 20 10.566 14.868 -0.709 147 HZ3 LYS 20 2HZ LYS 20 10.194 16.523 -0.677 148 H GLN 21 H GLN 21 4.801 11.004 0.933 149 HA GLN 21 HA GLN 21 2.081 11.708 0.898 150 HB2 GLN 21 2HB GLN 21 3.708 9.629 -0.055 151 HB3 GLN 21 1HB GLN 21 2.522 8.851 0.977 152 HG2 GLN 21 2HG GLN 21 0.743 9.528 -0.354 153 HG3 GLN 21 1HG GLN 21 1.678 10.827 -1.093 154 HE21 GLN 21 1HE2 GLN 21 1.176 10.154 -3.175 155 HE22 GLN 21 2HE2 GLN 21 1.861 8.730 -3.872 156 H ALA 22 H ALA 22 4.094 10.327 3.348 157 HA ALA 22 HA ALA 22 2.092 9.036 4.876 158 HB1 ALA 22 1HB ALA 22 3.879 9.337 6.729 159 HB2 ALA 22 2HB ALA 22 4.213 8.276 5.360 160 HB3 ALA 22 3HB ALA 22 4.896 9.904 5.406 161 H GLU 23 H GLU 23 2.858 12.356 4.484 162 HA GLU 23 HA GLU 23 1.248 12.960 6.871 163 HB2 GLU 23 2HB GLU 23 3.660 13.987 6.379 164 HB3 GLU 23 1HB GLU 23 2.693 15.143 5.471 165 HG2 GLU 23 2HG GLU 23 1.951 16.137 7.318 166 HG3 GLU 23 1HG GLU 23 1.608 14.602 8.111 167 H GLY 24 H GLY 24 0.745 12.343 3.811 168 HA2 GLY 24 1HA GLY 24 -0.990 14.584 3.160 169 HA3 GLY 24 2HA GLY 24 -0.771 13.119 2.205 170 H THR 25 H THR 25 -1.141 11.758 4.961 171 HA THR 25 HA THR 25 -3.955 12.179 5.512 172 HB THR 25 HB THR 25 -3.088 9.357 4.926 173 HG1 THR 25 1HG THR 25 -3.692 11.379 3.106 174 HG21 THR 25 3HG2 THR 25 -5.194 9.896 6.203 175 HG22 THR 25 1HG2 THR 25 -5.425 8.922 4.750 176 HG23 THR 25 2HG2 THR 25 -5.807 10.643 4.730 177 H THR 26 H THR 26 -4.427 11.640 7.650 178 HA THR 26 HA THR 26 -2.224 11.335 9.406 179 HB THR 26 HB THR 26 -4.622 10.717 10.772 180 HG1 THR 26 1HG THR 26 -6.049 11.554 9.438 181 HG21 THR 26 3HG2 THR 26 -4.015 12.494 12.055 182 HG22 THR 26 1HG2 THR 26 -3.661 13.518 10.661 183 HG23 THR 26 2HG2 THR 26 -2.497 12.293 11.176 184 H CYS 27 H CYS 27 -1.137 9.419 9.170 185 HA CYS 27 HA CYS 27 -2.512 7.004 10.036 186 HB2 CYS 27 2HB CYS 27 -1.145 7.283 7.361 187 HB3 CYS 27 1HB CYS 27 -1.500 5.729 8.105 188 H ASN 28 H ASN 28 -0.956 5.194 10.349 189 HA ASN 28 HA ASN 28 1.702 6.210 11.106 190 HB2 ASN 28 2HB ASN 28 -0.021 4.083 12.391 191 HB3 ASN 28 1HB ASN 28 1.682 4.294 12.777 192 HD21 ASN 28 1HD2 ASN 28 2.347 6.238 13.770 193 HD22 ASN 28 2HD2 ASN 28 1.224 7.176 14.694 194 H VAL 29 H VAL 29 3.280 4.217 11.298 195 HA VAL 29 HA VAL 29 3.764 3.289 8.723 196 HB VAL 29 HB VAL 29 4.834 2.688 11.413 197 HG11 VAL 29 1HG1 VAL 29 5.462 0.857 9.102 198 HG12 VAL 29 2HG1 VAL 29 6.211 0.830 10.698 199 HG13 VAL 29 3HG1 VAL 29 4.505 0.416 10.515 200 HG21 VAL 29 3HG2 VAL 29 6.977 2.936 9.930 201 HG22 VAL 29 1HG2 VAL 29 5.839 3.634 8.780 202 HG23 VAL 29 2HG2 VAL 29 6.021 4.346 10.383 203 H GLY 30 H GLY 30 2.104 1.623 11.401 204 HA2 GLY 30 1HA GLY 30 1.740 -0.728 9.699 205 HA3 GLY 30 2HA GLY 30 1.383 -0.632 11.415 206 H SER 31 H SER 31 0.179 2.047 9.779 207 HA SER 31 HA SER 31 -2.438 0.770 9.353 208 HB2 SER 31 2HB SER 31 -2.964 3.387 10.210 209 HB3 SER 31 1HB SER 31 -3.236 1.901 11.124 210 HG SER 31 HG SER 31 -1.172 2.116 12.020 211 H ILE 32 H ILE 32 0.014 2.276 7.921 212 HA ILE 32 HA ILE 32 -1.535 4.113 6.290 213 HB ILE 32 HB ILE 32 0.994 4.347 7.183 214 HG12 ILE 32 2HG1 ILE 32 0.432 5.463 4.473 215 HG13 ILE 32 1HG1 ILE 32 -0.628 5.900 5.810 216 HG21 ILE 32 1HG2 ILE 32 2.581 3.360 5.997 217 HG22 ILE 32 2HG2 ILE 32 1.322 2.434 5.184 218 HG23 ILE 32 3HG2 ILE 32 1.896 3.944 4.480 219 HD11 ILE 32 3HD1 ILE 32 1.856 7.017 5.117 220 HD12 ILE 32 1HD1 ILE 32 0.835 7.404 6.502 221 HD13 ILE 32 2HD1 ILE 32 2.086 6.169 6.645 222 H ALA 33 H ALA 33 -2.163 3.719 4.238 223 HA ALA 33 HA ALA 33 -1.224 1.283 2.943 224 HB1 ALA 33 1HB ALA 33 -4.144 1.751 3.524 225 HB2 ALA 33 2HB ALA 33 -3.468 0.422 2.580 226 HB3 ALA 33 3HB ALA 33 -3.117 0.549 4.303 227 H CYS 34 H CYS 34 -1.713 1.140 0.748 228 HA CYS 34 HA CYS 34 -2.663 3.636 -0.459 229 HB2 CYS 34 2HB CYS 34 -0.382 2.941 -1.129 230 HB3 CYS 34 1HB CYS 34 -1.031 1.412 -1.708 231 H CYS 35 H CYS 35 -4.538 3.587 -1.582 232 HA CYS 35 HA CYS 35 -5.785 0.941 -1.943 233 HB2 CYS 35 2HB CYS 35 -7.166 3.589 -1.451 234 HB3 CYS 35 1HB CYS 35 -7.953 2.021 -1.616 235 H ASN 36 H ASN 36 -7.118 0.675 -3.807 236 HA ASN 36 HA ASN 36 -7.117 2.797 -5.782 237 HB2 ASN 36 2HB ASN 36 -6.031 1.544 -7.538 238 HB3 ASN 36 1HB ASN 36 -4.948 1.633 -6.156 239 HD21 ASN 36 1HD2 ASN 36 -4.292 -0.205 -5.188 240 HD22 ASN 36 2HD2 ASN 36 -4.740 -1.797 -5.699 241 H SER 37 H SER 37 -8.500 2.339 -7.598 242 HA SER 37 HA SER 37 -10.925 1.162 -6.984 243 HB2 SER 37 2HB SER 37 -10.124 1.190 -9.839 244 HB3 SER 37 1HB SER 37 -11.553 1.873 -9.060 245 HG SER 37 HG SER 37 -9.339 3.134 -9.812 246 HA PRO 38 HA PRO 38 -10.243 -3.139 -6.802 247 HB2 PRO 38 2HB PRO 38 -12.862 -3.355 -8.210 248 HB3 PRO 38 1HB PRO 38 -12.328 -4.102 -6.700 249 HG2 PRO 38 2HG PRO 38 -13.990 -2.014 -6.698 250 HG3 PRO 38 1HG PRO 38 -12.736 -2.202 -5.460 251 HD2 PRO 38 2HD PRO 38 -12.850 -0.348 -7.780 252 HD3 PRO 38 1HD PRO 38 -12.102 -0.128 -6.186 253 H ALA 39 H ALA 39 -11.267 -1.773 -9.884 254 HA ALA 39 HA ALA 39 -10.974 -4.038 -11.492 255 HB1 ALA 39 1HB ALA 39 -10.422 -1.224 -12.392 256 HB2 ALA 39 2HB ALA 39 -11.034 -2.577 -13.348 257 HB3 ALA 39 3HB ALA 39 -12.047 -1.847 -12.102 258 H GLU 40 H GLU 40 -8.560 -2.126 -9.987 259 HA GLU 40 HA GLU 40 -6.508 -3.053 -11.864 260 HB2 GLU 40 2HB GLU 40 -6.210 -0.773 -11.644 261 HB3 GLU 40 1HB GLU 40 -6.721 -0.760 -9.964 262 HG2 GLU 40 2HG GLU 40 -4.642 -0.883 -9.258 263 HG3 GLU 40 1HG GLU 40 -4.304 -2.283 -10.273 264 H THR 41 H THR 41 -7.052 -2.765 -8.349 265 HA THR 41 HA THR 41 -4.820 -4.368 -7.679 266 HB THR 41 HB THR 41 -6.481 -2.679 -6.295 267 HG1 THR 41 1HG THR 41 -4.474 -4.505 -5.496 268 HG21 THR 41 3HG2 THR 41 -8.066 -3.759 -5.178 269 HG22 THR 41 1HG2 THR 41 -6.834 -4.755 -4.409 270 HG23 THR 41 2HG2 THR 41 -7.578 -5.282 -5.919 271 H ASN 42 H ASN 42 -8.068 -5.151 -8.558 272 HA ASN 42 HA ASN 42 -7.896 -7.832 -7.417 273 HB2 ASN 42 2HB ASN 42 -10.062 -6.126 -8.478 274 HB3 ASN 42 1HB ASN 42 -10.224 -7.848 -8.792 275 HD21 ASN 42 1HD2 ASN 42 -9.054 -5.915 -6.068 276 HD22 ASN 42 2HD2 ASN 42 -10.074 -6.654 -4.883 277 H ASN 43 H ASN 43 -6.372 -6.685 -9.812 278 HA ASN 43 HA ASN 43 -7.100 -7.778 -12.228 279 HB2 ASN 43 2HB ASN 43 -4.681 -6.750 -11.065 280 HB3 ASN 43 1HB ASN 43 -4.308 -8.170 -12.036 281 HD21 ASN 43 1HD2 ASN 43 -5.018 -4.874 -12.067 282 HD22 ASN 43 2HD2 ASN 43 -5.157 -4.672 -13.780 283 H ASP 44 H ASP 44 -5.634 -9.422 -9.491 284 HA ASP 44 HA ASP 44 -5.944 -11.960 -10.949 285 HB2 ASP 44 2HB ASP 44 -3.610 -11.736 -10.566 286 HB3 ASP 44 1HB ASP 44 -3.862 -11.116 -8.936 287 H SER 45 H SER 45 -6.640 -13.779 -9.673 288 HA SER 45 HA SER 45 -8.760 -12.986 -7.883 289 HB2 SER 45 2HB SER 45 -8.252 -15.858 -8.246 290 HB3 SER 45 1HB SER 45 -9.734 -14.930 -8.497 291 HG SER 45 HG SER 45 -8.597 -14.103 -10.444 292 H LEU 46 H LEU 46 -5.584 -14.370 -7.609 293 HA LEU 46 HA LEU 46 -5.987 -15.166 -4.844 294 HB2 LEU 46 2HB LEU 46 -4.467 -16.552 -6.002 295 HB3 LEU 46 1HB LEU 46 -3.634 -15.187 -6.718 296 HG LEU 46 HG LEU 46 -3.027 -14.668 -4.192 297 HD11 LEU 46 1HD1 LEU 46 -2.899 -16.483 -2.768 298 HD12 LEU 46 2HD1 LEU 46 -4.461 -16.727 -3.553 299 HD13 LEU 46 3HD1 LEU 46 -3.055 -17.653 -4.078 300 HD21 LEU 46 3HD2 LEU 46 -1.021 -15.051 -5.048 301 HD22 LEU 46 1HD2 LEU 46 -1.283 -16.788 -4.921 302 HD23 LEU 46 2HD2 LEU 46 -1.759 -15.929 -6.385 303 H LEU 47 H LEU 47 -4.494 -12.608 -6.711 304 HA LEU 47 HA LEU 47 -3.237 -11.085 -4.798 305 HB2 LEU 47 2HB LEU 47 -4.058 -10.767 -7.445 306 HB3 LEU 47 1HB LEU 47 -4.790 -9.421 -6.592 307 HG LEU 47 HG LEU 47 -1.856 -10.052 -6.343 308 HD11 LEU 47 1HD1 LEU 47 -3.335 -8.795 -8.562 309 HD12 LEU 47 2HD1 LEU 47 -1.880 -7.962 -8.017 310 HD13 LEU 47 3HD1 LEU 47 -1.786 -9.637 -8.561 311 HD21 LEU 47 3HD2 LEU 47 -3.443 -8.353 -4.926 312 HD22 LEU 47 1HD2 LEU 47 -1.709 -8.146 -5.171 313 HD23 LEU 47 2HD2 LEU 47 -2.850 -7.298 -6.211 314 H SER 48 H SER 48 -6.693 -11.248 -5.521 315 HA SER 48 HA SER 48 -7.460 -9.015 -3.978 316 HB2 SER 48 2HB SER 48 -9.591 -10.907 -4.064 317 HB3 SER 48 1HB SER 48 -9.381 -9.456 -5.045 318 HG SER 48 HG SER 48 -8.370 -10.636 -6.599 319 H GLY 49 H GLY 49 -6.507 -12.187 -3.090 320 HA2 GLY 49 1HA GLY 49 -7.700 -11.945 -0.419 321 HA3 GLY 49 2HA GLY 49 -6.911 -13.374 -1.072 322 H LEU 50 H LEU 50 -4.666 -11.678 -2.089 323 HA LEU 50 HA LEU 50 -3.010 -11.837 0.248 324 HB2 LEU 50 2HB LEU 50 -2.457 -10.772 -2.522 325 HB3 LEU 50 1HB LEU 50 -1.247 -10.913 -1.260 326 HG LEU 50 HG LEU 50 -2.784 -13.248 -2.391 327 HD11 LEU 50 1HD1 LEU 50 -1.386 -12.251 -4.111 328 HD12 LEU 50 2HD1 LEU 50 0.000 -12.285 -3.022 329 HD13 LEU 50 3HD1 LEU 50 -0.719 -13.796 -3.582 330 HD21 LEU 50 3HD2 LEU 50 -0.200 -13.637 -1.066 331 HD22 LEU 50 1HD2 LEU 50 -1.496 -13.076 -0.010 332 HD23 LEU 50 2HD2 LEU 50 -1.696 -14.562 -0.939 333 H LEU 51 H LEU 51 -5.104 -9.519 -0.919 334 HA LEU 51 HA LEU 51 -3.739 -7.119 -0.336 335 HB2 LEU 51 2HB LEU 51 -6.429 -7.950 -1.036 336 HB3 LEU 51 1HB LEU 51 -6.440 -6.634 0.121 337 HG LEU 51 HG LEU 51 -6.347 -5.307 -1.679 338 HD11 LEU 51 1HD1 LEU 51 -4.221 -4.690 -1.038 339 HD12 LEU 51 2HD1 LEU 51 -3.531 -6.268 -1.423 340 HD13 LEU 51 3HD1 LEU 51 -3.966 -5.155 -2.720 341 HD21 LEU 51 3HD2 LEU 51 -5.728 -6.053 -3.914 342 HD22 LEU 51 1HD2 LEU 51 -5.200 -7.599 -3.250 343 HD23 LEU 51 2HD2 LEU 51 -6.900 -7.137 -3.165 344 H GLY 52 H GLY 52 -4.965 -9.539 1.680 345 HA2 GLY 52 1HA GLY 52 -4.302 -7.921 4.013 346 HA3 GLY 52 2HA GLY 52 -5.922 -8.607 3.961 347 H ALA 53 H ALA 53 -2.570 -9.231 4.513 348 HA ALA 53 HA ALA 53 -2.815 -12.095 4.203 349 HB1 ALA 53 1HB ALA 53 -0.398 -11.968 5.125 350 HB2 ALA 53 2HB ALA 53 -0.740 -11.350 3.510 351 HB3 ALA 53 3HB ALA 53 -0.573 -10.233 4.866 352 H GLY 54 H GLY 54 -4.629 -11.865 5.914 353 HA2 GLY 54 1HA GLY 54 -4.170 -13.423 8.044 354 HA3 GLY 54 2HA GLY 54 -3.660 -11.854 8.649 355 H LEU 55 H LEU 55 -6.391 -12.955 6.632 356 HA LEU 55 HA LEU 55 -8.633 -12.652 6.789 357 HB2 LEU 55 2HB LEU 55 -7.731 -12.997 9.567 358 HB3 LEU 55 1HB LEU 55 -9.295 -12.225 9.397 359 HG LEU 55 HG LEU 55 -9.334 -14.464 7.682 360 HD11 LEU 55 1HD1 LEU 55 -8.087 -15.034 10.359 361 HD12 LEU 55 2HD1 LEU 55 -8.973 -16.252 9.440 362 HD13 LEU 55 3HD1 LEU 55 -7.522 -15.517 8.758 363 HD21 LEU 55 3HD2 LEU 55 -11.199 -15.089 8.957 364 HD22 LEU 55 1HD2 LEU 55 -10.575 -14.312 10.412 365 HD23 LEU 55 2HD2 LEU 55 -11.148 -13.331 9.062 366 H LEU 56 H LEU 56 -7.243 -10.377 6.096 367 HA LEU 56 HA LEU 56 -8.247 -8.177 7.695 368 HB2 LEU 56 2HB LEU 56 -6.125 -8.532 5.860 369 HB3 LEU 56 1HB LEU 56 -7.197 -7.324 5.172 370 HG LEU 56 HG LEU 56 -6.597 -6.884 8.005 371 HD11 LEU 56 1HD1 LEU 56 -4.404 -7.247 7.917 372 HD12 LEU 56 2HD1 LEU 56 -4.439 -7.495 6.170 373 HD13 LEU 56 3HD1 LEU 56 -4.316 -5.865 6.827 374 HD21 LEU 56 3HD2 LEU 56 -6.521 -5.226 5.494 375 HD22 LEU 56 1HD2 LEU 56 -7.754 -5.217 6.754 376 HD23 LEU 56 2HD2 LEU 56 -6.139 -4.600 7.096 377 H ASN 57 H ASN 57 -8.950 -6.261 5.984 378 HA ASN 57 HA ASN 57 -11.157 -7.334 4.393 379 HB2 ASN 57 2HB ASN 57 -11.661 -6.383 6.825 380 HB3 ASN 57 1HB ASN 57 -11.595 -4.847 5.969 381 HD21 ASN 57 1HD2 ASN 57 -13.877 -5.684 7.200 382 HD22 ASN 57 2HD2 ASN 57 -15.063 -6.072 6.005 383 H GLY 58 H GLY 58 -12.231 -5.187 3.367 384 HA2 GLY 58 1HA GLY 58 -9.987 -3.971 1.879 385 HA3 GLY 58 2HA GLY 58 -11.588 -4.271 1.217 386 H LEU 59 H LEU 59 -11.941 -2.156 0.592 387 HA LEU 59 HA LEU 59 -11.631 0.077 2.284 388 HB2 LEU 59 2HB LEU 59 -11.871 0.067 -0.236 389 HB3 LEU 59 1HB LEU 59 -13.588 -0.176 0.002 390 HG LEU 59 HG LEU 59 -13.845 1.975 1.005 391 HD11 LEU 59 1HD1 LEU 59 -12.004 3.462 1.481 392 HD12 LEU 59 2HD1 LEU 59 -11.757 1.934 2.330 393 HD13 LEU 59 3HD1 LEU 59 -10.850 2.285 0.856 394 HD21 LEU 59 3HD2 LEU 59 -11.935 2.650 -1.164 395 HD22 LEU 59 1HD2 LEU 59 -13.332 1.651 -1.563 396 HD23 LEU 59 2HD2 LEU 59 -13.564 3.255 -0.865 397 H SER 60 H SER 60 -13.090 1.192 3.527 398 HA SER 60 HA SER 60 -14.951 -0.183 5.033 399 HB2 SER 60 2HB SER 60 -13.936 2.006 5.656 400 HB3 SER 60 1HB SER 60 -14.963 2.793 4.458 401 HG SER 60 HG SER 60 -15.546 2.105 6.983 402 H GLY 61 H GLY 61 -16.668 -1.215 4.257 403 HA2 GLY 61 1HA GLY 61 -18.877 -1.328 3.550 404 HA3 GLY 61 2HA GLY 61 -18.763 0.343 3.022 405 H ASN 62 H ASN 62 -16.740 0.309 1.220 406 HA ASN 62 HA ASN 62 -18.077 -0.962 -0.998 407 HB2 ASN 62 2HB ASN 62 -17.153 1.356 -1.075 408 HB3 ASN 62 1HB ASN 62 -15.536 0.664 -1.051 409 HD21 ASN 62 1HD2 ASN 62 -14.647 0.096 -2.933 410 HD22 ASN 62 2HD2 ASN 62 -15.491 -0.001 -4.440 411 H THR 63 H THR 63 -17.755 -3.106 -0.850 412 HA THR 63 HA THR 63 -15.287 -4.370 -0.349 413 HB THR 63 HB THR 63 -17.038 -5.992 -1.967 414 HG1 THR 63 1HG THR 63 -18.931 -5.379 -1.262 415 HG21 THR 63 3HG2 THR 63 -16.898 -6.318 0.974 416 HG22 THR 63 1HG2 THR 63 -15.375 -6.413 0.092 417 HG23 THR 63 2HG2 THR 63 -16.694 -7.510 -0.308 418 H GLY 64 H GLY 64 -13.614 -4.781 -1.629 419 HA2 GLY 64 1HA GLY 64 -13.094 -5.703 -3.938 420 HA3 GLY 64 2HA GLY 64 -13.911 -4.254 -4.513 421 H SER 65 H SER 65 -12.979 -2.280 -2.947 422 HA SER 65 HA SER 65 -10.265 -2.016 -3.876 423 HB2 SER 65 2HB SER 65 -11.267 0.084 -2.093 424 HB3 SER 65 1HB SER 65 -10.657 0.206 -3.744 425 HG SER 65 HG SER 65 -12.671 0.498 -4.242 426 H ALA 66 H ALA 66 -9.668 -3.918 -2.432 427 HA ALA 66 HA ALA 66 -9.284 -3.316 0.363 428 HB1 ALA 66 1HB ALA 66 -9.010 -5.519 0.542 429 HB2 ALA 66 2HB ALA 66 -9.316 -5.641 -1.190 430 HB3 ALA 66 3HB ALA 66 -7.664 -5.499 -0.594 431 H CYS 67 H CYS 67 -7.414 -2.666 1.338 432 HA CYS 67 HA CYS 67 -5.354 -1.674 -0.507 433 HB2 CYS 67 2HB CYS 67 -5.793 -0.575 2.250 434 HB3 CYS 67 1HB CYS 67 -5.064 0.201 0.849 435 H ALA 68 H ALA 68 -3.227 -2.011 -0.110 436 HA ALA 68 HA ALA 68 -2.588 -3.889 2.054 437 HB1 ALA 68 1HB ALA 68 -2.108 -4.509 -0.367 438 HB2 ALA 68 2HB ALA 68 -0.835 -3.288 -0.313 439 HB3 ALA 68 3HB ALA 68 -0.773 -4.675 0.775 440 H LYS 69 H LYS 69 -0.502 -3.588 3.143 441 HA LYS 69 HA LYS 69 -0.071 -0.706 3.605 442 HB2 LYS 69 2HB LYS 69 -0.152 -3.068 5.463 443 HB3 LYS 69 1HB LYS 69 0.724 -1.614 5.914 444 HG2 LYS 69 2HG LYS 69 -1.509 -1.636 6.880 445 HG3 LYS 69 1HG LYS 69 -1.327 -0.305 5.739 446 HD2 LYS 69 2HD LYS 69 -3.251 -1.028 4.860 447 HD3 LYS 69 1HD LYS 69 -2.290 -2.324 4.155 448 HE2 LYS 69 2HE LYS 69 -2.865 -3.155 6.758 449 HE3 LYS 69 1HE LYS 69 -4.359 -2.441 6.153 450 HZ1 LYS 69 3HZ LYS 69 -3.711 -3.909 4.065 451 HZ2 LYS 69 1HZ LYS 69 -4.607 -4.526 5.360 452 HZ3 LYS 69 2HZ LYS 69 -2.943 -4.838 5.268 453 H ALA 70 H ALA 70 2.166 -0.571 4.992 454 HA ALA 70 HA ALA 70 4.173 -0.936 3.069 455 HB1 ALA 70 1HB ALA 70 4.129 -0.110 5.920 456 HB2 ALA 70 2HB ALA 70 5.678 -0.559 5.206 457 HB3 ALA 70 3HB ALA 70 4.727 0.744 4.496 458 H SER 71 H SER 71 3.286 -2.878 5.887 459 HA SER 71 HA SER 71 5.447 -4.689 5.760 460 HB2 SER 71 2HB SER 71 3.293 -6.126 6.764 461 HB3 SER 71 1HB SER 71 4.416 -5.152 7.714 462 HG SER 71 HG SER 71 1.794 -4.636 6.947 463 H LEU 72 H LEU 72 2.239 -4.656 4.307 464 HA LEU 72 HA LEU 72 2.486 -7.190 3.045 465 HB2 LEU 72 2HB LEU 72 0.479 -5.186 3.360 466 HB3 LEU 72 1HB LEU 72 0.592 -5.606 1.660 467 HG LEU 72 HG LEU 72 0.216 -7.954 2.179 468 HD11 LEU 72 1HD1 LEU 72 0.766 -8.727 4.183 469 HD12 LEU 72 2HD1 LEU 72 0.894 -7.093 4.833 470 HD13 LEU 72 3HD1 LEU 72 -0.662 -7.922 4.832 471 HD21 LEU 72 3HD2 LEU 72 -2.048 -7.804 2.513 472 HD22 LEU 72 1HD2 LEU 72 -1.895 -6.523 3.718 473 HD23 LEU 72 2HD2 LEU 72 -1.660 -6.157 2.009 474 H ILE 73 H ILE 73 3.622 -4.057 2.280 475 HA ILE 73 HA ILE 73 3.944 -4.388 -0.504 476 HB ILE 73 HB ILE 73 4.753 -2.467 1.488 477 HG12 ILE 73 2HG1 ILE 73 5.055 -1.222 -0.904 478 HG13 ILE 73 1HG1 ILE 73 4.034 -2.577 -1.372 479 HG21 ILE 73 1HG2 ILE 73 7.006 -3.612 0.763 480 HG22 ILE 73 2HG2 ILE 73 6.805 -2.587 -0.657 481 HG23 ILE 73 3HG2 ILE 73 6.889 -1.863 0.948 482 HD11 ILE 73 3HD1 ILE 73 2.327 -1.294 -0.747 483 HD12 ILE 73 1HD1 ILE 73 2.824 -1.634 0.910 484 HD13 ILE 73 2HD1 ILE 73 3.384 -0.169 0.106 485 H ASP 74 H ASP 74 5.728 -5.500 2.282 486 HA ASP 74 HA ASP 74 7.896 -6.462 0.574 487 HB2 ASP 74 2HB ASP 74 9.081 -5.498 2.225 488 HB3 ASP 74 1HB ASP 74 7.708 -5.490 3.322 489 H GLN 75 H GLN 75 5.529 -7.614 2.905 490 HA GLN 75 HA GLN 75 6.468 -10.145 3.415 491 HB2 GLN 75 2HB GLN 75 4.677 -9.987 4.730 492 HB3 GLN 75 1HB GLN 75 3.985 -8.724 3.729 493 HG2 GLN 75 2HG GLN 75 3.718 -11.549 2.832 494 HG3 GLN 75 1HG GLN 75 2.723 -10.985 4.170 495 HE21 GLN 75 1HE2 GLN 75 3.578 -8.570 2.010 496 HE22 GLN 75 2HE2 GLN 75 2.127 -8.503 1.085 497 H LEU 76 H LEU 76 4.915 -9.059 0.473 498 HA LEU 76 HA LEU 76 5.459 -11.648 -0.713 499 HB2 LEU 76 2HB LEU 76 2.870 -10.991 0.123 500 HB3 LEU 76 1HB LEU 76 2.861 -10.797 -1.616 501 HG LEU 76 HG LEU 76 2.544 -12.994 -1.821 502 HD11 LEU 76 1HD1 LEU 76 5.037 -13.022 -1.973 503 HD12 LEU 76 2HD1 LEU 76 5.086 -13.468 -0.268 504 HD13 LEU 76 3HD1 LEU 76 4.326 -14.546 -1.440 505 HD21 LEU 76 3HD2 LEU 76 2.376 -14.457 0.157 506 HD22 LEU 76 1HD2 LEU 76 3.027 -13.154 1.152 507 HD23 LEU 76 2HD2 LEU 76 1.472 -12.952 0.345 508 H GLY 77 H GLY 77 5.042 -8.246 -0.996 509 HA2 GLY 77 1HA GLY 77 5.911 -6.885 -2.666 510 HA3 GLY 77 2HA GLY 77 6.333 -8.327 -3.574 511 H LEU 78 H LEU 78 3.259 -6.964 -2.396 512 HA LEU 78 HA LEU 78 1.807 -7.804 -4.691 513 HB2 LEU 78 2HB LEU 78 1.235 -6.102 -2.312 514 HB3 LEU 78 1HB LEU 78 0.154 -5.981 -3.687 515 HG LEU 78 HG LEU 78 -0.149 -8.483 -3.538 516 HD11 LEU 78 1HD1 LEU 78 1.595 -9.340 -2.311 517 HD12 LEU 78 2HD1 LEU 78 1.578 -8.007 -1.157 518 HD13 LEU 78 3HD1 LEU 78 0.333 -9.255 -1.080 519 HD21 LEU 78 3HD2 LEU 78 -0.978 -6.783 -1.189 520 HD22 LEU 78 1HD2 LEU 78 -1.838 -6.951 -2.722 521 HD23 LEU 78 2HD2 LEU 78 -1.700 -8.331 -1.632 522 H LEU 79 H LEU 79 2.962 -6.969 -6.464 523 HA LEU 79 HA LEU 79 3.644 -4.240 -6.720 524 HB2 LEU 79 2HB LEU 79 3.859 -4.979 -9.225 525 HB3 LEU 79 1HB LEU 79 4.999 -5.532 -8.013 526 HG LEU 79 HG LEU 79 3.047 -7.486 -7.963 527 HD11 LEU 79 1HD1 LEU 79 2.037 -7.721 -9.927 528 HD12 LEU 79 2HD1 LEU 79 2.628 -6.110 -10.343 529 HD13 LEU 79 3HD1 LEU 79 3.557 -7.538 -10.804 530 HD21 LEU 79 3HD2 LEU 79 4.757 -8.819 -9.234 531 HD22 LEU 79 1HD2 LEU 79 5.683 -7.327 -9.413 532 HD23 LEU 79 2HD2 LEU 79 5.365 -7.981 -7.805 533 H ALA 80 H ALA 80 0.644 -5.666 -6.956 534 HA ALA 80 HA ALA 80 -0.429 -4.055 -9.081 535 HB1 ALA 80 1HB ALA 80 -1.525 -6.008 -7.128 536 HB2 ALA 80 2HB ALA 80 -2.641 -4.831 -7.821 537 HB3 ALA 80 3HB ALA 80 -1.737 -5.912 -8.877 538 H LEU 81 H LEU 81 0.367 -3.516 -5.830 539 HA LEU 81 HA LEU 81 -1.595 -1.351 -5.577 540 HB2 LEU 81 2HB LEU 81 -1.269 -3.275 -3.843 541 HB3 LEU 81 1HB LEU 81 0.118 -2.333 -3.334 542 HG LEU 81 HG LEU 81 -1.958 -0.486 -3.436 543 HD11 LEU 81 1HD1 LEU 81 -3.390 -1.939 -1.662 544 HD12 LEU 81 2HD1 LEU 81 -3.818 -1.736 -3.360 545 HD13 LEU 81 3HD1 LEU 81 -2.954 -3.182 -2.837 546 HD21 LEU 81 3HD2 LEU 81 0.002 -1.274 -1.718 547 HD22 LEU 81 1HD2 LEU 81 -1.228 -0.061 -1.364 548 HD23 LEU 81 2HD2 LEU 81 -1.458 -1.729 -0.835 549 H VAL 82 H VAL 82 1.789 -2.014 -5.851 550 HA VAL 82 HA VAL 82 2.430 0.725 -5.039 551 HB VAL 82 HB VAL 82 4.779 -0.761 -5.751 552 HG11 VAL 82 1HG1 VAL 82 5.064 -0.394 -3.151 553 HG12 VAL 82 2HG1 VAL 82 5.168 0.950 -4.293 554 HG13 VAL 82 3HG1 VAL 82 3.678 0.669 -3.390 555 HG21 VAL 82 3HG2 VAL 82 4.331 -2.251 -3.530 556 HG22 VAL 82 1HG2 VAL 82 2.738 -2.278 -4.284 557 HG23 VAL 82 2HG2 VAL 82 4.146 -2.842 -5.180 558 H ASP 83 H ASP 83 3.226 2.192 -6.413 559 HA ASP 83 HA ASP 83 3.791 1.332 -9.183 560 HB2 ASP 83 2HB ASP 83 1.776 2.934 -8.700 561 HB3 ASP 83 1HB ASP 83 3.024 4.154 -8.474 562 H HIS 84 H HIS 84 5.478 2.659 -10.257 563 HA HIS 84 HA HIS 84 7.474 3.494 -8.271 564 HB2 HIS 84 2HB HIS 84 7.942 1.447 -9.784 565 HB3 HIS 84 1HB HIS 84 8.204 2.643 -11.054 566 HD1 HIS 84 1HD HIS 84 9.942 4.693 -10.063 567 HD2 HIS 84 2HD HIS 84 10.243 0.828 -8.567 568 HE1 HIS 84 1HE HIS 84 12.209 4.553 -9.011 569 HE2 HIS 84 2HE HIS 84 12.490 2.115 -8.430 570 H THR 85 H THR 85 7.555 5.587 -8.147 571 HA THR 85 HA THR 85 7.168 7.232 -10.532 572 HB THR 85 HB THR 85 7.264 9.125 -8.834 573 HG1 THR 85 1HG THR 85 6.560 7.625 -6.725 574 HG21 THR 85 3HG2 THR 85 5.179 7.628 -9.684 575 HG22 THR 85 1HG2 THR 85 5.011 9.011 -8.602 576 HG23 THR 85 2HG2 THR 85 5.055 7.375 -7.943 577 H GLU 86 H GLU 86 8.645 9.427 -9.920 578 HA GLU 86 HA GLU 86 11.182 8.923 -10.847 579 HB2 GLU 86 2HB GLU 86 10.565 11.194 -8.966 580 HB3 GLU 86 1HB GLU 86 11.698 11.172 -10.311 581 HG2 GLU 86 2HG GLU 86 9.963 11.216 -11.907 582 HG3 GLU 86 1HG GLU 86 8.738 10.851 -10.695 583 H GLU 87 H GLU 87 10.142 9.193 -7.456 584 HA GLU 87 HA GLU 87 12.747 8.758 -6.381 585 HB2 GLU 87 2HB GLU 87 10.000 8.570 -5.144 586 HB3 GLU 87 1HB GLU 87 11.490 8.367 -4.234 587 HG2 GLU 87 2HG GLU 87 11.111 10.566 -3.838 588 HG3 GLU 87 1HG GLU 87 12.057 10.703 -5.320 589 H GLY 88 H GLY 88 9.889 6.667 -5.895 590 HA2 GLY 88 1HA GLY 88 11.244 4.309 -6.758 591 HA3 GLY 88 2HA GLY 88 11.285 4.463 -5.008 592 HA PRO 89 HA PRO 89 7.401 2.167 -5.901 593 HB2 PRO 89 2HB PRO 89 7.973 0.953 -3.297 594 HB3 PRO 89 1HB PRO 89 7.746 0.172 -4.864 595 HG2 PRO 89 2HG PRO 89 10.147 0.280 -3.643 596 HG3 PRO 89 1HG PRO 89 9.980 0.329 -5.408 597 HD2 PRO 89 2HD PRO 89 10.450 2.580 -3.484 598 HD3 PRO 89 1HD PRO 89 11.191 2.286 -5.074 599 H VAL 90 H VAL 90 5.830 3.610 -5.553 600 HA VAL 90 HA VAL 90 5.306 4.507 -2.789 601 HB VAL 90 HB VAL 90 4.271 6.543 -4.050 602 HG11 VAL 90 1HG1 VAL 90 6.641 6.113 -2.733 603 HG12 VAL 90 2HG1 VAL 90 7.173 6.804 -4.266 604 HG13 VAL 90 3HG1 VAL 90 6.029 7.685 -3.253 605 HG21 VAL 90 3HG2 VAL 90 6.267 5.514 -6.078 606 HG22 VAL 90 1HG2 VAL 90 4.515 5.630 -6.294 607 HG23 VAL 90 2HG2 VAL 90 5.480 7.098 -6.121 608 H CYS 91 H CYS 91 2.937 5.692 -3.008 609 HA CYS 91 HA CYS 91 1.093 3.575 -3.395 610 HB2 CYS 91 2HB CYS 91 0.722 5.377 -1.764 611 HB3 CYS 91 1HB CYS 91 0.577 6.543 -3.074 612 H LYS 92 H LYS 92 -0.162 3.056 -5.076 613 HA LYS 92 HA LYS 92 0.514 4.046 -7.656 614 HB2 LYS 92 2HB LYS 92 -0.327 1.675 -6.816 615 HB3 LYS 92 1HB LYS 92 -1.900 2.354 -7.209 616 HG2 LYS 92 2HG LYS 92 -1.581 2.099 -9.393 617 HG3 LYS 92 1HG LYS 92 0.056 2.761 -9.320 618 HD2 LYS 92 2HD LYS 92 0.986 0.668 -8.755 619 HD3 LYS 92 1HD LYS 92 -0.595 -0.021 -8.367 620 HE2 LYS 92 2HE LYS 92 -1.163 -0.309 -10.575 621 HE3 LYS 92 1HE LYS 92 -0.097 0.983 -11.128 622 HZ1 LYS 92 3HZ LYS 92 1.213 -1.310 -9.920 623 HZ2 LYS 92 1HZ LYS 92 1.647 -0.408 -11.287 624 HZ3 LYS 92 2HZ LYS 92 0.446 -1.602 -11.404 625 H ASN 93 H ASN 93 -2.158 4.597 -5.432 626 HA ASN 93 HA ASN 93 -3.283 6.527 -7.299 627 HB2 ASN 93 2HB ASN 93 -4.444 3.892 -6.777 628 HB3 ASN 93 1HB ASN 93 -5.574 5.220 -6.531 629 HD21 ASN 93 1HD2 ASN 93 -4.302 3.124 -8.755 630 HD22 ASN 93 2HD2 ASN 93 -4.750 3.949 -10.204 631 H ILE 94 H ILE 94 -5.110 5.032 -4.708 632 HA ILE 94 HA ILE 94 -5.567 7.725 -3.668 633 HB ILE 94 HB ILE 94 -7.061 5.225 -2.896 634 HG12 ILE 94 2HG1 ILE 94 -8.156 7.027 -4.996 635 HG13 ILE 94 1HG1 ILE 94 -6.877 5.915 -5.475 636 HG21 ILE 94 1HG2 ILE 94 -7.663 8.160 -2.769 637 HG22 ILE 94 2HG2 ILE 94 -8.919 6.931 -2.626 638 HG23 ILE 94 3HG2 ILE 94 -7.608 6.992 -1.449 639 HD11 ILE 94 3HD1 ILE 94 -8.331 4.118 -4.338 640 HD12 ILE 94 1HD1 ILE 94 -9.623 5.311 -4.475 641 HD13 ILE 94 2HD1 ILE 94 -8.803 4.726 -5.922 642 H VAL 95 H VAL 95 -4.935 8.391 -1.706 643 HA VAL 95 HA VAL 95 -3.423 6.589 -0.002 644 HB VAL 95 HB VAL 95 -3.586 8.986 1.366 645 HG11 VAL 95 1HG1 VAL 95 -1.289 9.382 0.393 646 HG12 VAL 95 2HG1 VAL 95 -1.545 7.810 1.151 647 HG13 VAL 95 3HG1 VAL 95 -1.563 7.955 -0.606 648 HG21 VAL 95 3HG2 VAL 95 -4.628 10.289 -0.265 649 HG22 VAL 95 1HG2 VAL 95 -2.915 10.626 -0.505 650 HG23 VAL 95 2HG2 VAL 95 -3.750 9.510 -1.583 651 H ALA 96 H ALA 96 -4.152 5.700 1.867 652 HA ALA 96 HA ALA 96 -6.450 6.809 3.229 653 HB1 ALA 96 1HB ALA 96 -7.816 5.600 1.866 654 HB2 ALA 96 2HB ALA 96 -6.612 4.343 1.581 655 HB3 ALA 96 3HB ALA 96 -7.491 4.394 3.110 656 H CYS 97 H CYS 97 -7.101 5.195 5.058 657 HA CYS 97 HA CYS 97 -4.603 4.262 6.299 658 HB2 CYS 97 2HB CYS 97 -6.497 6.123 7.230 659 HB3 CYS 97 1HB CYS 97 -6.713 4.677 8.212 660 H CYS 98 H CYS 98 -4.454 2.177 6.795 661 HA CYS 98 HA CYS 98 -6.872 0.579 7.136 662 HB2 CYS 98 2HB CYS 98 -6.221 0.574 4.684 663 HB3 CYS 98 1HB CYS 98 -4.739 -0.247 5.162 664 HA PRO 99 HA PRO 99 -4.022 -1.051 10.132 665 HB2 PRO 99 2HB PRO 99 -5.771 -2.450 11.567 666 HB3 PRO 99 1HB PRO 99 -5.876 -0.687 11.486 667 HG2 PRO 99 2HG PRO 99 -7.513 -2.744 10.071 668 HG3 PRO 99 1HG PRO 99 -8.016 -1.204 10.789 669 HD2 PRO 99 2HD PRO 99 -7.470 -1.645 8.087 670 HD3 PRO 99 1HD PRO 99 -7.563 -0.061 8.881 671 H GLU 100 H GLU 100 -2.603 -2.720 9.930 672 HA GLU 100 HA GLU 100 -3.274 -5.052 8.393 673 HB2 GLU 100 2HB GLU 100 -0.819 -4.317 9.983 674 HB3 GLU 100 1HB GLU 100 -0.982 -5.835 9.109 675 HG2 GLU 100 2HG GLU 100 -1.508 -3.352 7.603 676 HG3 GLU 100 1HG GLU 100 0.161 -3.678 8.061 677 H GLY 101 H GLY 101 -4.837 -6.200 9.358 678 HA2 GLY 101 1HA GLY 101 -4.183 -8.194 11.141 679 HA3 GLY 101 2HA GLY 101 -4.865 -6.902 12.122 680 H THR 102 H THR 102 -6.862 -5.903 10.770 681 HA THR 102 HA THR 102 -8.432 -7.483 9.128 682 HB THR 102 HB THR 102 -8.538 -8.955 11.206 683 HG1 THR 102 1HG THR 102 -10.113 -9.351 9.766 684 HG21 THR 102 3HG2 THR 102 -8.754 -7.085 12.847 685 HG22 THR 102 1HG2 THR 102 -10.007 -8.317 13.007 686 HG23 THR 102 2HG2 THR 102 -10.378 -6.783 12.224 687 H THR 103 H THR 103 -10.941 -6.734 9.646 688 HA THR 103 HA THR 103 -12.407 -5.004 9.542 689 HB THR 103 HB THR 103 -10.505 -3.006 10.691 690 HG1 THR 103 1HG THR 103 -10.038 -4.681 12.050 691 HG21 THR 103 3HG2 THR 103 -12.388 -1.905 11.111 692 HG22 THR 103 1HG2 THR 103 -13.045 -3.275 12.012 693 HG23 THR 103 2HG2 THR 103 -13.270 -3.175 10.265 694 H ASN 104 H ASN 104 -12.801 -2.979 8.440 695 HA ASN 104 HA ASN 104 -11.439 -3.017 5.926 696 HB2 ASN 104 2HB ASN 104 -13.106 -1.064 5.500 697 HB3 ASN 104 1HB ASN 104 -13.733 -2.698 5.702 698 HD21 ASN 104 1HD2 ASN 104 -13.342 0.429 7.208 699 HD22 ASN 104 2HD2 ASN 104 -14.541 0.205 8.432 700 H CYS 105 H CYS 105 -11.036 -0.810 4.863 701 HA CYS 105 HA CYS 105 -9.319 0.759 6.672 702 HB2 CYS 105 2HB CYS 105 -8.976 0.968 3.725 703 HB3 CYS 105 1HB CYS 105 -7.765 0.931 5.002 704 H VAL 106 H VAL 106 -9.277 3.046 6.400 705 HA VAL 106 HA VAL 106 -11.803 4.083 5.314 706 HB VAL 106 HB VAL 106 -11.724 5.867 6.896 707 HG11 VAL 106 1HG1 VAL 106 -12.473 3.627 7.697 708 HG12 VAL 106 2HG1 VAL 106 -10.869 3.396 8.391 709 HG13 VAL 106 3HG1 VAL 106 -11.902 4.702 8.974 710 HG21 VAL 106 3HG2 VAL 106 -8.911 4.965 7.393 711 HG22 VAL 106 1HG2 VAL 106 -9.519 6.581 7.036 712 HG23 VAL 106 2HG2 VAL 106 -9.799 5.865 8.623 713 H ALA 107 H ALA 107 -11.795 5.607 3.764 714 HA ALA 107 HA ALA 107 -9.171 6.588 2.864 715 HB1 ALA 107 1HB ALA 107 -11.202 5.283 1.441 716 HB2 ALA 107 2HB ALA 107 -11.236 6.966 0.910 717 HB3 ALA 107 3HB ALA 107 -9.742 6.033 0.795 718 H VAL 108 H VAL 108 -8.781 8.662 3.237 719 HA VAL 108 HA VAL 108 -11.082 10.456 3.574 720 HB VAL 108 HB VAL 108 -8.600 11.483 4.696 721 HG11 VAL 108 1HG1 VAL 108 -11.431 11.476 5.202 722 HG12 VAL 108 2HG1 VAL 108 -10.531 11.162 6.686 723 HG13 VAL 108 3HG1 VAL 108 -10.194 12.613 5.742 724 HG21 VAL 108 3HG2 VAL 108 -8.890 8.744 5.077 725 HG22 VAL 108 1HG2 VAL 108 -7.886 9.839 6.025 726 HG23 VAL 108 2HG2 VAL 108 -9.524 9.464 6.556 727 H ASP 109 H ASP 109 -9.217 9.665 1.248 728 HA ASP 109 HA ASP 109 -7.855 12.065 0.539 729 HB2 ASP 109 2HB ASP 109 -6.914 10.274 -0.571 730 HB3 ASP 109 1HB ASP 109 -8.468 9.498 -0.860 731 H ASN 110 H ASN 110 -8.685 13.847 -0.191 732 HA ASN 110 HA ASN 110 -11.160 13.755 -1.760 733 HB2 ASN 110 2HB ASN 110 -10.555 15.366 0.681 734 HB3 ASN 110 1HB ASN 110 -11.477 16.145 -0.603 735 HD21 ASN 110 1HD2 ASN 110 -11.409 13.455 1.642 736 HD22 ASN 110 2HD2 ASN 110 -13.112 13.156 1.623 737 H ALA 111 H ALA 111 -9.769 13.805 -3.558 738 HA ALA 111 HA ALA 111 -8.688 14.779 -5.292 739 HB1 ALA 111 1HB ALA 111 -10.402 16.672 -4.572 740 HB2 ALA 111 2HB ALA 111 -8.901 17.527 -4.216 741 HB3 ALA 111 3HB ALA 111 -9.201 16.915 -5.842 742 H GLY 112 H GLY 112 -7.194 13.829 -3.129 743 HA2 GLY 112 1HA GLY 112 -4.876 15.670 -3.207 744 HA3 GLY 112 2HA GLY 112 -5.193 14.552 -1.886 745 H ALA 113 H ALA 113 -6.024 12.428 -3.738 746 HA ALA 113 HA ALA 113 -3.513 11.191 -4.155 747 HB1 ALA 113 1HB ALA 113 -6.065 10.312 -3.940 748 HB2 ALA 113 2HB ALA 113 -5.785 10.127 -5.672 749 HB3 ALA 113 3HB ALA 113 -4.715 9.334 -4.517 750 H GLY 114 H GLY 114 -2.516 10.567 -6.127 751 HA2 GLY 114 1HA GLY 114 -2.589 10.671 -8.596 752 HA3 GLY 114 2HA GLY 114 -3.217 12.304 -8.411 753 H THR 115 H THR 115 -1.184 12.416 -6.043 754 HA THR 115 HA THR 115 1.259 12.677 -7.622 755 HB THR 115 HB THR 115 0.069 14.916 -7.451 756 HG1 THR 115 1HG THR 115 2.220 15.852 -6.516 757 HG21 THR 115 3HG2 THR 115 1.056 15.742 -4.945 758 HG22 THR 115 1HG2 THR 115 0.152 14.255 -4.657 759 HG23 THR 115 2HG2 THR 115 -0.631 15.621 -5.451 760 H LYS 116 H LYS 116 3.154 13.167 -6.112 761 HA LYS 116 HA LYS 116 2.809 11.782 -3.540 762 HB2 LYS 116 2HB LYS 116 5.387 11.158 -4.251 763 HB3 LYS 116 1HB LYS 116 4.005 10.086 -4.410 764 HG2 LYS 116 2HG LYS 116 4.159 10.080 -6.622 765 HG3 LYS 116 1HG LYS 116 4.225 11.842 -6.691 766 HD2 LYS 116 2HD LYS 116 6.707 11.051 -5.682 767 HD3 LYS 116 1HD LYS 116 6.347 9.903 -6.973 768 HE2 LYS 116 2HE LYS 116 6.466 11.487 -8.600 769 HE3 LYS 116 1HE LYS 116 5.820 12.759 -7.563 770 HZ1 LYS 116 3HZ LYS 116 8.479 11.736 -6.910 771 HZ2 LYS 116 1HZ LYS 116 7.868 13.314 -6.817 772 HZ3 LYS 116 2HZ LYS 116 8.347 12.688 -8.312 773 H ALA 117 H ALA 117 4.515 14.127 -5.474 774 HA ALA 117 HA ALA 117 5.553 15.346 -3.007 775 HB1 ALA 117 1HB ALA 117 6.784 15.555 -5.754 776 HB2 ALA 117 2HB ALA 117 7.441 16.179 -4.240 777 HB3 ALA 117 3HB ALA 117 7.330 14.439 -4.503 778 H GLU 118 H GLU 118 5.140 17.503 -2.711 779 HA GLU 118 HA GLU 118 4.090 19.067 -4.918 780 HB2 GLU 118 2HB GLU 118 2.044 19.674 -3.902 781 HB3 GLU 118 1HB GLU 118 2.134 17.927 -3.751 782 HG2 GLU 118 2HG GLU 118 1.810 18.109 -1.572 783 HG3 GLU 118 1HG GLU 118 3.308 19.026 -1.428 Start of MODEL 20 1 H1 SER 1 1H SER 1 28.955 2.086 -12.843 2 H2 SER 1 2H SER 1 29.661 1.855 -14.367 3 H3 SER 1 3H SER 1 30.563 2.551 -13.114 4 HA SER 1 HA SER 1 29.964 -0.217 -13.666 5 HB2 SER 1 2HB SER 1 32.149 0.045 -11.947 6 HB3 SER 1 1HB SER 1 32.208 -0.102 -13.704 7 HG SER 1 HG SER 1 33.309 1.767 -12.923 8 H LEU 2 H LEU 2 29.505 -1.771 -12.194 9 HA LEU 2 HA LEU 2 28.609 -2.742 -10.353 10 HB2 LEU 2 2HB LEU 2 30.838 -1.110 -9.476 11 HB3 LEU 2 1HB LEU 2 29.665 -1.353 -8.197 12 HG LEU 2 HG LEU 2 31.368 -3.054 -8.050 13 HD11 LEU 2 1HD1 LEU 2 29.972 -5.094 -8.263 14 HD12 LEU 2 2HD1 LEU 2 29.155 -3.771 -7.430 15 HD13 LEU 2 3HD1 LEU 2 28.757 -4.134 -9.112 16 HD21 LEU 2 3HD2 LEU 2 30.976 -3.177 -10.958 17 HD22 LEU 2 1HD2 LEU 2 32.407 -3.524 -9.986 18 HD23 LEU 2 2HD2 LEU 2 31.145 -4.744 -10.168 19 HA PRO 3 HA PRO 3 25.478 0.568 -9.503 20 HB2 PRO 3 2HB PRO 3 23.388 -0.541 -10.739 21 HB3 PRO 3 1HB PRO 3 24.625 0.327 -11.654 22 HG2 PRO 3 2HG PRO 3 24.266 -2.623 -11.281 23 HG3 PRO 3 1HG PRO 3 24.676 -1.729 -12.755 24 HD2 PRO 3 2HD PRO 3 26.514 -3.018 -11.166 25 HD3 PRO 3 1HD PRO 3 26.900 -1.650 -12.229 26 H ALA 4 H ALA 4 26.368 -1.947 -8.028 27 HA ALA 4 HA ALA 4 24.094 -3.413 -7.210 28 HB1 ALA 4 1HB ALA 4 25.555 -4.694 -6.090 29 HB2 ALA 4 2HB ALA 4 26.779 -3.749 -6.938 30 HB3 ALA 4 3HB ALA 4 26.310 -3.313 -5.295 31 H SER 5 H SER 5 25.643 -0.529 -5.978 32 HA SER 5 HA SER 5 24.091 -0.454 -3.563 33 HB2 SER 5 2HB SER 5 25.291 2.073 -4.306 34 HB3 SER 5 1HB SER 5 25.672 1.011 -2.948 35 HG SER 5 HG SER 5 27.485 0.844 -4.067 36 H ALA 6 H ALA 6 23.382 0.217 -6.759 37 HA ALA 6 HA ALA 6 21.518 2.391 -6.122 38 HB1 ALA 6 1HB ALA 6 22.467 3.122 -8.031 39 HB2 ALA 6 2HB ALA 6 22.908 1.498 -8.563 40 HB3 ALA 6 3HB ALA 6 21.258 2.083 -8.786 41 H ALA 7 H ALA 7 21.493 -0.829 -5.999 42 HA ALA 7 HA ALA 7 19.143 -1.552 -7.408 43 HB1 ALA 7 1HB ALA 7 21.065 -3.008 -6.355 44 HB2 ALA 7 2HB ALA 7 19.975 -3.043 -4.969 45 HB3 ALA 7 3HB ALA 7 19.430 -3.647 -6.537 46 H LYS 8 H LYS 8 17.030 -1.790 -6.705 47 HA LYS 8 HA LYS 8 16.331 -1.036 -3.995 48 HB2 LYS 8 2HB LYS 8 14.694 0.685 -4.761 49 HB3 LYS 8 1HB LYS 8 16.372 1.154 -4.984 50 HG2 LYS 8 2HG LYS 8 16.245 1.032 -7.275 51 HG3 LYS 8 1HG LYS 8 14.897 -0.107 -7.249 52 HD2 LYS 8 2HD LYS 8 13.385 1.538 -7.265 53 HD3 LYS 8 1HD LYS 8 14.223 2.418 -5.985 54 HE2 LYS 8 2HE LYS 8 15.678 2.518 -8.486 55 HE3 LYS 8 1HE LYS 8 14.038 3.136 -8.670 56 HZ1 LYS 8 3HZ LYS 8 15.032 5.024 -7.965 57 HZ2 LYS 8 1HZ LYS 8 16.268 4.216 -7.130 58 HZ3 LYS 8 2HZ LYS 8 14.729 4.369 -6.436 59 H ASN 9 H ASN 9 14.752 -2.210 -3.291 60 HA ASN 9 HA ASN 9 13.102 -3.659 -5.244 61 HB2 ASN 9 2HB ASN 9 14.160 -4.479 -2.535 62 HB3 ASN 9 1HB ASN 9 12.837 -5.336 -3.320 63 HD21 ASN 9 1HD2 ASN 9 13.264 -6.305 -5.396 64 HD22 ASN 9 2HD2 ASN 9 14.864 -6.847 -5.772 65 H ALA 10 H ALA 10 11.471 -4.668 -3.004 66 HA ALA 10 HA ALA 10 9.603 -2.448 -2.945 67 HB1 ALA 10 1HB ALA 10 8.433 -4.515 -1.552 68 HB2 ALA 10 2HB ALA 10 8.233 -4.184 -3.273 69 HB3 ALA 10 3HB ALA 10 9.445 -5.344 -2.730 70 H LYS 11 H LYS 11 11.258 -1.303 -1.508 71 HA LYS 11 HA LYS 11 10.733 -1.983 1.312 72 HB2 LYS 11 2HB LYS 11 12.765 0.044 0.480 73 HB3 LYS 11 1HB LYS 11 12.694 -0.916 1.949 74 HG2 LYS 11 2HG LYS 11 13.758 -2.676 1.011 75 HG3 LYS 11 1HG LYS 11 13.054 -2.394 -0.583 76 HD2 LYS 11 2HD LYS 11 14.732 -1.024 -1.226 77 HD3 LYS 11 1HD LYS 11 14.912 -0.316 0.381 78 HE2 LYS 11 2HE LYS 11 15.715 -2.956 0.694 79 HE3 LYS 11 1HE LYS 11 16.369 -2.491 -0.873 80 HZ1 LYS 11 3HZ LYS 11 16.803 -1.084 1.706 81 HZ2 LYS 11 1HZ LYS 11 17.380 -0.543 0.208 82 HZ3 LYS 11 2HZ LYS 11 17.947 -2.001 0.862 83 H LEU 12 H LEU 12 10.023 -0.376 2.710 84 HA LEU 12 HA LEU 12 8.550 1.789 1.524 85 HB2 LEU 12 2HB LEU 12 8.307 0.349 3.836 86 HB3 LEU 12 1HB LEU 12 8.992 1.851 4.428 87 HG LEU 12 HG LEU 12 6.505 1.764 4.500 88 HD11 LEU 12 1HD1 LEU 12 8.147 3.828 3.227 89 HD12 LEU 12 2HD1 LEU 12 6.413 3.976 2.942 90 HD13 LEU 12 3HD1 LEU 12 7.035 3.938 4.591 91 HD21 LEU 12 3HD2 LEU 12 5.282 1.194 2.735 92 HD22 LEU 12 1HD2 LEU 12 6.090 2.394 1.720 93 HD23 LEU 12 2HD2 LEU 12 6.784 0.781 1.903 94 H ALA 13 H ALA 13 11.653 1.354 3.006 95 HA ALA 13 HA ALA 13 12.214 4.017 3.736 96 HB1 ALA 13 1HB ALA 13 13.617 1.517 3.666 97 HB2 ALA 13 2HB ALA 13 14.648 2.802 3.032 98 HB3 ALA 13 3HB ALA 13 13.940 2.951 4.643 99 H THR 14 H THR 14 12.374 2.352 0.682 100 HA THR 14 HA THR 14 14.047 4.231 -0.656 101 HB THR 14 HB THR 14 12.440 2.959 -2.579 102 HG1 THR 14 1HG THR 14 11.623 1.490 -1.106 103 HG21 THR 14 3HG2 THR 14 14.559 1.462 -2.719 104 HG22 THR 14 1HG2 THR 14 15.194 2.542 -1.480 105 HG23 THR 14 2HG2 THR 14 14.705 3.190 -3.045 106 H SER 15 H SER 15 10.684 4.030 0.061 107 HA SER 15 HA SER 15 9.901 5.932 -1.990 108 HB2 SER 15 2HB SER 15 7.995 5.092 0.122 109 HB3 SER 15 1HB SER 15 7.778 5.203 -1.626 110 HG SER 15 HG SER 15 8.067 3.131 -1.643 111 H ALA 16 H ALA 16 11.469 7.512 -0.880 112 HA ALA 16 HA ALA 16 10.631 8.776 1.539 113 HB1 ALA 16 1HB ALA 16 12.704 9.568 1.293 114 HB2 ALA 16 2HB ALA 16 12.742 9.104 -0.408 115 HB3 ALA 16 3HB ALA 16 12.063 10.661 0.067 116 H ALA 17 H ALA 17 9.994 9.153 -1.863 117 HA ALA 17 HA ALA 17 8.492 11.531 -1.806 118 HB1 ALA 17 1HB ALA 17 7.605 9.467 -3.703 119 HB2 ALA 17 2HB ALA 17 8.135 11.124 -3.992 120 HB3 ALA 17 3HB ALA 17 9.329 9.840 -3.761 121 H PHE 18 H PHE 18 7.694 8.252 -0.921 122 HA PHE 18 HA PHE 18 4.847 8.777 -0.791 123 HB2 PHE 18 2HB PHE 18 5.494 6.546 -1.434 124 HB3 PHE 18 1HB PHE 18 6.514 6.375 -0.010 125 HD1 PHE 18 1HD PHE 18 2.952 6.945 -0.968 126 HD2 PHE 18 2HD PHE 18 5.677 5.299 1.860 127 HE1 PHE 18 1HE PHE 18 1.072 5.949 0.268 128 HE2 PHE 18 2HE PHE 18 3.798 4.305 3.096 129 HZ PHE 18 HZ PHE 18 1.494 4.629 2.298 130 H ALA 19 H ALA 19 7.601 8.734 1.329 131 HA ALA 19 HA ALA 19 6.174 8.573 3.776 132 HB1 ALA 19 1HB ALA 19 8.741 8.258 3.142 133 HB2 ALA 19 2HB ALA 19 8.805 9.917 3.747 134 HB3 ALA 19 3HB ALA 19 8.195 8.621 4.778 135 H LYS 20 H LYS 20 6.225 11.016 1.542 136 HA LYS 20 HA LYS 20 6.105 13.227 3.418 137 HB2 LYS 20 2HB LYS 20 6.135 12.901 0.479 138 HB3 LYS 20 1HB LYS 20 5.111 14.205 1.065 139 HG2 LYS 20 2HG LYS 20 6.934 15.469 1.099 140 HG3 LYS 20 1HG LYS 20 7.458 14.517 2.490 141 HD2 LYS 20 2HD LYS 20 9.184 13.764 1.313 142 HD3 LYS 20 1HD LYS 20 8.068 13.031 0.160 143 HE2 LYS 20 2HE LYS 20 8.524 14.569 -1.388 144 HE3 LYS 20 1HE LYS 20 8.297 15.888 -0.238 145 HZ1 LYS 20 3HZ LYS 20 10.487 16.164 -0.634 146 HZ2 LYS 20 1HZ LYS 20 10.743 14.539 -1.065 147 HZ3 LYS 20 2HZ LYS 20 10.643 14.977 0.570 148 H GLN 21 H GLN 21 4.119 10.937 1.864 149 HA GLN 21 HA GLN 21 1.620 12.269 2.137 150 HB2 GLN 21 2HB GLN 21 2.536 10.058 0.780 151 HB3 GLN 21 1HB GLN 21 1.557 9.341 2.054 152 HG2 GLN 21 2HG GLN 21 -0.221 9.748 0.806 153 HG3 GLN 21 1HG GLN 21 0.061 11.461 1.103 154 HE21 GLN 21 1HE2 GLN 21 -0.256 9.142 -1.248 155 HE22 GLN 21 2HE2 GLN 21 0.421 10.015 -2.582 156 H ALA 22 H ALA 22 3.573 10.257 4.172 157 HA ALA 22 HA ALA 22 1.559 9.552 6.047 158 HB1 ALA 22 1HB ALA 22 3.970 8.594 5.654 159 HB2 ALA 22 2HB ALA 22 4.416 9.803 6.860 160 HB3 ALA 22 3HB ALA 22 3.234 8.554 7.257 161 H GLU 23 H GLU 23 3.011 12.467 5.318 162 HA GLU 23 HA GLU 23 2.705 13.538 8.025 163 HB2 GLU 23 2HB GLU 23 4.849 13.887 6.794 164 HB3 GLU 23 1HB GLU 23 3.965 14.847 5.613 165 HG2 GLU 23 2HG GLU 23 3.617 16.579 7.089 166 HG3 GLU 23 1HG GLU 23 3.823 15.551 8.506 167 H GLY 24 H GLY 24 1.790 14.208 4.660 168 HA2 GLY 24 1HA GLY 24 0.146 16.451 5.304 169 HA3 GLY 24 2HA GLY 24 0.205 15.614 3.763 170 H THR 25 H THR 25 -0.574 13.066 4.522 171 HA THR 25 HA THR 25 -3.415 13.515 4.907 172 HB THR 25 HB THR 25 -2.639 10.729 4.653 173 HG1 THR 25 1HG THR 25 -0.857 11.365 3.522 174 HG21 THR 25 3HG2 THR 25 -3.903 11.677 2.318 175 HG22 THR 25 1HG2 THR 25 -4.602 12.578 3.664 176 HG23 THR 25 2HG2 THR 25 -4.644 10.815 3.664 177 H THR 26 H THR 26 -4.603 12.876 6.645 178 HA THR 26 HA THR 26 -3.152 12.323 9.065 179 HB THR 26 HB THR 26 -5.954 12.174 9.504 180 HG1 THR 26 1HG THR 26 -6.715 13.938 8.399 181 HG21 THR 26 3HG2 THR 26 -4.104 13.167 10.933 182 HG22 THR 26 1HG2 THR 26 -5.594 14.101 10.840 183 HG23 THR 26 2HG2 THR 26 -4.190 14.589 9.890 184 H CYS 27 H CYS 27 -2.389 10.248 8.978 185 HA CYS 27 HA CYS 27 -4.380 8.171 9.488 186 HB2 CYS 27 2HB CYS 27 -2.152 7.904 7.444 187 HB3 CYS 27 1HB CYS 27 -3.091 6.550 8.062 188 H ASN 28 H ASN 28 -2.925 6.057 10.054 189 HA ASN 28 HA ASN 28 -1.026 7.001 12.083 190 HB2 ASN 28 2HB ASN 28 -2.874 5.698 12.981 191 HB3 ASN 28 1HB ASN 28 -2.548 4.391 11.852 192 HD21 ASN 28 1HD2 ASN 28 -2.011 2.767 13.171 193 HD22 ASN 28 2HD2 ASN 28 -0.722 2.808 14.328 194 H VAL 29 H VAL 29 1.080 6.380 12.043 195 HA VAL 29 HA VAL 29 2.171 5.529 9.596 196 HB VAL 29 HB VAL 29 3.272 6.901 11.494 197 HG11 VAL 29 1HG1 VAL 29 4.148 4.145 12.346 198 HG12 VAL 29 2HG1 VAL 29 4.696 5.681 13.015 199 HG13 VAL 29 3HG1 VAL 29 3.022 5.168 13.235 200 HG21 VAL 29 3HG2 VAL 29 4.280 6.152 9.300 201 HG22 VAL 29 1HG2 VAL 29 5.417 6.486 10.604 202 HG23 VAL 29 2HG2 VAL 29 5.009 4.818 10.196 203 H GLY 30 H GLY 30 1.206 3.734 12.441 204 HA2 GLY 30 1HA GLY 30 2.467 1.282 11.489 205 HA3 GLY 30 2HA GLY 30 1.527 1.465 12.965 206 H SER 31 H SER 31 -0.042 2.891 10.385 207 HA SER 31 HA SER 31 -1.387 0.488 9.485 208 HB2 SER 31 2HB SER 31 -3.132 2.680 10.568 209 HB3 SER 31 1HB SER 31 -3.526 0.987 10.272 210 HG SER 31 HG SER 31 -1.724 0.752 12.022 211 H ILE 32 H ILE 32 0.273 2.221 8.098 212 HA ILE 32 HA ILE 32 -1.577 3.786 6.465 213 HB ILE 32 HB ILE 32 0.847 4.553 7.295 214 HG12 ILE 32 2HG1 ILE 32 0.161 5.376 4.519 215 HG13 ILE 32 1HG1 ILE 32 -1.056 5.606 5.767 216 HG21 ILE 32 1HG2 ILE 32 1.961 4.261 4.734 217 HG22 ILE 32 2HG2 ILE 32 2.548 3.592 6.257 218 HG23 ILE 32 3HG2 ILE 32 1.448 2.652 5.246 219 HD11 ILE 32 3HD1 ILE 32 -0.062 7.526 6.238 220 HD12 ILE 32 1HD1 ILE 32 1.285 6.590 6.884 221 HD13 ILE 32 2HD1 ILE 32 1.312 7.136 5.208 222 H ALA 33 H ALA 33 -1.923 3.356 4.300 223 HA ALA 33 HA ALA 33 -0.781 0.920 3.197 224 HB1 ALA 33 1HB ALA 33 -3.378 1.058 4.463 225 HB2 ALA 33 2HB ALA 33 -3.486 0.531 2.781 226 HB3 ALA 33 3HB ALA 33 -2.461 -0.349 3.916 227 H CYS 34 H CYS 34 -1.362 0.555 0.998 228 HA CYS 34 HA CYS 34 -2.403 2.938 -0.386 229 HB2 CYS 34 2HB CYS 34 -0.305 0.926 -1.154 230 HB3 CYS 34 1HB CYS 34 -1.176 1.819 -2.396 231 H CYS 35 H CYS 35 -4.175 2.691 -1.597 232 HA CYS 35 HA CYS 35 -5.197 -0.039 -2.013 233 HB2 CYS 35 2HB CYS 35 -7.035 2.310 -1.698 234 HB3 CYS 35 1HB CYS 35 -7.359 0.604 -1.418 235 H ASN 36 H ASN 36 -6.813 -0.149 -3.805 236 HA ASN 36 HA ASN 36 -6.500 1.886 -5.866 237 HB2 ASN 36 2HB ASN 36 -4.693 -0.053 -5.988 238 HB3 ASN 36 1HB ASN 36 -6.021 -0.943 -6.717 239 HD21 ASN 36 1HD2 ASN 36 -7.016 -0.007 -8.624 240 HD22 ASN 36 2HD2 ASN 36 -6.026 0.914 -9.713 241 H SER 37 H SER 37 -8.017 1.612 -7.630 242 HA SER 37 HA SER 37 -10.595 0.913 -6.961 243 HB2 SER 37 2HB SER 37 -10.010 0.538 -9.799 244 HB3 SER 37 1HB SER 37 -11.026 1.746 -9.008 245 HG SER 37 HG SER 37 -9.401 2.934 -9.812 246 HA PRO 38 HA PRO 38 -10.975 -3.376 -6.528 247 HB2 PRO 38 2HB PRO 38 -13.305 -3.146 -8.386 248 HB3 PRO 38 1HB PRO 38 -13.198 -3.922 -6.802 249 HG2 PRO 38 2HG PRO 38 -14.345 -1.540 -7.069 250 HG3 PRO 38 1HG PRO 38 -13.331 -1.908 -5.660 251 HD2 PRO 38 2HD PRO 38 -12.738 -0.216 -8.034 252 HD3 PRO 38 1HD PRO 38 -12.178 -0.051 -6.360 253 H ALA 39 H ALA 39 -11.475 -2.362 -9.941 254 HA ALA 39 HA ALA 39 -11.191 -4.989 -10.964 255 HB1 ALA 39 1HB ALA 39 -11.393 -4.059 -13.078 256 HB2 ALA 39 2HB ALA 39 -12.236 -2.894 -12.055 257 HB3 ALA 39 3HB ALA 39 -10.594 -2.559 -12.607 258 H GLU 40 H GLU 40 -8.859 -2.810 -9.829 259 HA GLU 40 HA GLU 40 -6.697 -4.062 -11.366 260 HB2 GLU 40 2HB GLU 40 -7.033 -1.518 -9.890 261 HB3 GLU 40 1HB GLU 40 -5.442 -2.258 -9.789 262 HG2 GLU 40 2HG GLU 40 -5.751 -2.408 -12.413 263 HG3 GLU 40 1HG GLU 40 -6.842 -1.055 -12.106 264 H THR 41 H THR 41 -7.633 -3.301 -8.056 265 HA THR 41 HA THR 41 -5.700 -4.792 -6.703 266 HB THR 41 HB THR 41 -8.522 -4.400 -5.729 267 HG1 THR 41 1HG THR 41 -8.190 -2.290 -5.601 268 HG21 THR 41 3HG2 THR 41 -7.660 -4.515 -3.612 269 HG22 THR 41 1HG2 THR 41 -6.067 -3.939 -4.110 270 HG23 THR 41 2HG2 THR 41 -6.554 -5.600 -4.456 271 H ASN 42 H ASN 42 -8.753 -5.685 -8.133 272 HA ASN 42 HA ASN 42 -8.517 -8.433 -7.124 273 HB2 ASN 42 2HB ASN 42 -10.763 -6.647 -7.800 274 HB3 ASN 42 1HB ASN 42 -10.960 -8.316 -8.312 275 HD21 ASN 42 1HD2 ASN 42 -9.382 -6.899 -5.504 276 HD22 ASN 42 2HD2 ASN 42 -10.340 -7.725 -4.324 277 H ASN 43 H ASN 43 -7.209 -6.996 -9.490 278 HA ASN 43 HA ASN 43 -8.215 -7.842 -11.930 279 HB2 ASN 43 2HB ASN 43 -6.275 -6.251 -11.476 280 HB3 ASN 43 1HB ASN 43 -5.267 -7.688 -11.334 281 HD21 ASN 43 1HD2 ASN 43 -7.664 -6.242 -13.511 282 HD22 ASN 43 2HD2 ASN 43 -6.874 -6.731 -14.977 283 H ASP 44 H ASP 44 -6.122 -9.561 -9.677 284 HA ASP 44 HA ASP 44 -6.176 -11.890 -11.462 285 HB2 ASP 44 2HB ASP 44 -3.951 -11.076 -10.666 286 HB3 ASP 44 1HB ASP 44 -4.444 -11.460 -9.018 287 H SER 45 H SER 45 -6.828 -13.913 -10.723 288 HA SER 45 HA SER 45 -9.060 -13.927 -9.019 289 HB2 SER 45 2HB SER 45 -7.976 -16.564 -9.334 290 HB3 SER 45 1HB SER 45 -9.397 -15.857 -10.103 291 HG SER 45 HG SER 45 -6.838 -16.212 -11.089 292 H LEU 46 H LEU 46 -5.672 -14.722 -8.462 293 HA LEU 46 HA LEU 46 -6.275 -15.720 -5.782 294 HB2 LEU 46 2HB LEU 46 -4.425 -16.510 -7.595 295 HB3 LEU 46 1HB LEU 46 -3.466 -15.395 -6.639 296 HG LEU 46 HG LEU 46 -3.978 -16.674 -4.610 297 HD11 LEU 46 1HD1 LEU 46 -5.163 -18.872 -6.239 298 HD12 LEU 46 2HD1 LEU 46 -5.352 -18.509 -4.522 299 HD13 LEU 46 3HD1 LEU 46 -6.195 -17.536 -5.727 300 HD21 LEU 46 3HD2 LEU 46 -2.465 -18.396 -5.008 301 HD22 LEU 46 1HD2 LEU 46 -3.024 -18.634 -6.666 302 HD23 LEU 46 2HD2 LEU 46 -2.066 -17.211 -6.253 303 H LEU 47 H LEU 47 -5.184 -12.895 -7.389 304 HA LEU 47 HA LEU 47 -3.629 -11.672 -5.421 305 HB2 LEU 47 2HB LEU 47 -4.498 -11.007 -7.941 306 HB3 LEU 47 1HB LEU 47 -5.315 -9.826 -6.939 307 HG LEU 47 HG LEU 47 -3.019 -9.226 -7.944 308 HD11 LEU 47 1HD1 LEU 47 -2.390 -8.264 -5.528 309 HD12 LEU 47 2HD1 LEU 47 -3.686 -7.603 -6.527 310 HD13 LEU 47 3HD1 LEU 47 -4.064 -8.736 -5.228 311 HD21 LEU 47 3HD2 LEU 47 -1.345 -9.949 -5.924 312 HD22 LEU 47 1HD2 LEU 47 -2.329 -11.402 -6.110 313 HD23 LEU 47 2HD2 LEU 47 -1.444 -10.753 -7.491 314 H SER 48 H SER 48 -7.101 -11.937 -5.730 315 HA SER 48 HA SER 48 -7.839 -9.799 -4.075 316 HB2 SER 48 2HB SER 48 -9.772 -11.874 -3.865 317 HB3 SER 48 1HB SER 48 -9.820 -10.427 -4.882 318 HG SER 48 HG SER 48 -9.905 -12.124 -6.271 319 H GLY 49 H GLY 49 -6.371 -12.766 -3.235 320 HA2 GLY 49 1HA GLY 49 -6.993 -12.222 -0.392 321 HA3 GLY 49 2HA GLY 49 -6.589 -13.817 -1.012 322 H LEU 50 H LEU 50 -4.577 -12.399 -2.807 323 HA LEU 50 HA LEU 50 -2.381 -12.748 -0.965 324 HB2 LEU 50 2HB LEU 50 -2.779 -12.902 -3.823 325 HB3 LEU 50 1HB LEU 50 -1.358 -11.949 -3.437 326 HG LEU 50 HG LEU 50 -0.557 -13.873 -2.024 327 HD11 LEU 50 1HD1 LEU 50 -2.535 -15.565 -3.499 328 HD12 LEU 50 2HD1 LEU 50 -1.582 -15.949 -2.068 329 HD13 LEU 50 3HD1 LEU 50 -2.953 -14.846 -1.944 330 HD21 LEU 50 3HD2 LEU 50 -0.517 -13.512 -4.833 331 HD22 LEU 50 1HD2 LEU 50 0.676 -14.318 -3.814 332 HD23 LEU 50 2HD2 LEU 50 -0.651 -15.243 -4.518 333 H LEU 51 H LEU 51 -4.252 -10.148 -1.880 334 HA LEU 51 HA LEU 51 -2.262 -8.113 -2.070 335 HB2 LEU 51 2HB LEU 51 -4.448 -6.740 -1.263 336 HB3 LEU 51 1HB LEU 51 -4.146 -7.207 -2.926 337 HG LEU 51 HG LEU 51 -5.489 -9.361 -2.273 338 HD11 LEU 51 1HD1 LEU 51 -6.550 -7.383 -0.264 339 HD12 LEU 51 2HD1 LEU 51 -7.204 -8.982 -0.615 340 HD13 LEU 51 3HD1 LEU 51 -5.611 -8.825 0.118 341 HD21 LEU 51 3HD2 LEU 51 -6.970 -8.467 -3.653 342 HD22 LEU 51 1HD2 LEU 51 -7.477 -7.296 -2.435 343 HD23 LEU 51 2HD2 LEU 51 -6.118 -6.933 -3.499 344 H GLY 52 H GLY 52 -3.350 -9.996 0.443 345 HA2 GLY 52 1HA GLY 52 -2.181 -8.131 2.391 346 HA3 GLY 52 2HA GLY 52 -3.608 -9.089 2.777 347 H ALA 53 H ALA 53 -3.080 -10.667 4.085 348 HA ALA 53 HA ALA 53 -1.289 -12.718 3.316 349 HB1 ALA 53 1HB ALA 53 -0.180 -11.976 5.843 350 HB2 ALA 53 2HB ALA 53 0.634 -12.110 4.283 351 HB3 ALA 53 3HB ALA 53 -0.095 -10.581 4.770 352 H GLY 54 H GLY 54 -3.332 -11.157 5.614 353 HA2 GLY 54 1HA GLY 54 -4.190 -13.817 6.545 354 HA3 GLY 54 2HA GLY 54 -4.160 -12.414 7.611 355 H LEU 55 H LEU 55 -6.446 -12.796 7.940 356 HA LEU 55 HA LEU 55 -8.285 -12.550 5.762 357 HB2 LEU 55 2HB LEU 55 -8.377 -13.278 8.502 358 HB3 LEU 55 1HB LEU 55 -9.501 -11.951 8.284 359 HG LEU 55 HG LEU 55 -10.327 -14.405 8.029 360 HD11 LEU 55 1HD1 LEU 55 -11.301 -12.010 7.259 361 HD12 LEU 55 2HD1 LEU 55 -11.249 -12.855 5.712 362 HD13 LEU 55 3HD1 LEU 55 -12.157 -13.539 7.063 363 HD21 LEU 55 3HD2 LEU 55 -8.777 -15.295 6.489 364 HD22 LEU 55 1HD2 LEU 55 -10.275 -15.068 5.584 365 HD23 LEU 55 2HD2 LEU 55 -8.954 -13.917 5.401 366 H LEU 56 H LEU 56 -7.009 -10.512 5.124 367 HA LEU 56 HA LEU 56 -7.508 -8.089 6.473 368 HB2 LEU 56 2HB LEU 56 -6.670 -6.943 4.564 369 HB3 LEU 56 1HB LEU 56 -5.691 -8.358 4.811 370 HG LEU 56 HG LEU 56 -5.875 -8.260 2.517 371 HD11 LEU 56 1HD1 LEU 56 -8.275 -9.887 2.487 372 HD12 LEU 56 2HD1 LEU 56 -6.617 -10.287 2.037 373 HD13 LEU 56 3HD1 LEU 56 -7.123 -10.385 3.724 374 HD21 LEU 56 3HD2 LEU 56 -8.531 -8.031 1.747 375 HD22 LEU 56 1HD2 LEU 56 -8.337 -6.867 3.057 376 HD23 LEU 56 2HD2 LEU 56 -7.278 -6.793 1.648 377 H ASN 57 H ASN 57 -8.935 -6.421 6.073 378 HA ASN 57 HA ASN 57 -11.270 -7.123 4.438 379 HB2 ASN 57 2HB ASN 57 -11.547 -6.549 6.946 380 HB3 ASN 57 1HB ASN 57 -11.196 -4.891 6.466 381 HD21 ASN 57 1HD2 ASN 57 -13.380 -4.616 7.399 382 HD22 ASN 57 2HD2 ASN 57 -14.735 -4.824 6.351 383 H GLY 58 H GLY 58 -12.296 -4.787 3.730 384 HA2 GLY 58 1HA GLY 58 -10.089 -3.673 2.105 385 HA3 GLY 58 2HA GLY 58 -11.739 -3.861 1.526 386 H LEU 59 H LEU 59 -11.751 -1.641 0.968 387 HA LEU 59 HA LEU 59 -11.343 0.428 2.837 388 HB2 LEU 59 2HB LEU 59 -11.821 0.266 0.141 389 HB3 LEU 59 1HB LEU 59 -13.325 0.937 0.738 390 HG LEU 59 HG LEU 59 -11.132 2.340 1.925 391 HD11 LEU 59 1HD1 LEU 59 -10.882 3.209 -0.750 392 HD12 LEU 59 2HD1 LEU 59 -9.638 2.535 0.300 393 HD13 LEU 59 3HD1 LEU 59 -10.596 1.468 -0.729 394 HD21 LEU 59 3HD2 LEU 59 -13.446 3.144 1.671 395 HD22 LEU 59 1HD2 LEU 59 -12.262 4.261 0.987 396 HD23 LEU 59 2HD2 LEU 59 -13.207 3.219 -0.076 397 H SER 60 H SER 60 -12.689 1.451 4.204 398 HA SER 60 HA SER 60 -14.803 0.106 5.396 399 HB2 SER 60 2HB SER 60 -14.381 3.101 5.445 400 HB3 SER 60 1HB SER 60 -15.118 2.098 6.693 401 HG SER 60 HG SER 60 -12.494 2.631 6.231 402 H GLY 61 H GLY 61 -16.409 -0.554 4.053 403 HA2 GLY 61 1HA GLY 61 -18.596 -0.243 3.288 404 HA3 GLY 61 2HA GLY 61 -18.334 1.492 3.296 405 H ASN 62 H ASN 62 -15.935 -0.411 1.746 406 HA ASN 62 HA ASN 62 -17.140 0.132 -0.889 407 HB2 ASN 62 2HB ASN 62 -14.840 1.357 0.161 408 HB3 ASN 62 1HB ASN 62 -14.254 0.155 -0.985 409 HD21 ASN 62 1HD2 ASN 62 -13.634 2.488 -1.711 410 HD22 ASN 62 2HD2 ASN 62 -14.664 3.161 -2.921 411 H THR 63 H THR 63 -17.787 -1.911 -1.260 412 HA THR 63 HA THR 63 -16.174 -4.187 -0.646 413 HB THR 63 HB THR 63 -18.269 -4.790 -2.523 414 HG1 THR 63 1HG THR 63 -19.924 -4.006 -0.848 415 HG21 THR 63 3HG2 THR 63 -18.295 -6.538 -1.146 416 HG22 THR 63 1HG2 THR 63 -18.984 -5.519 0.117 417 HG23 THR 63 2HG2 THR 63 -17.234 -5.693 -0.019 418 H GLY 64 H GLY 64 -14.240 -3.832 -1.828 419 HA2 GLY 64 1HA GLY 64 -13.808 -5.327 -4.011 420 HA3 GLY 64 2HA GLY 64 -14.370 -3.824 -4.732 421 H SER 65 H SER 65 -13.242 -1.981 -3.022 422 HA SER 65 HA SER 65 -10.504 -2.030 -3.899 423 HB2 SER 65 2HB SER 65 -11.273 0.096 -2.029 424 HB3 SER 65 1HB SER 65 -10.620 0.212 -3.665 425 HG SER 65 HG SER 65 -12.567 0.699 -4.255 426 H ALA 66 H ALA 66 -9.373 -3.561 -2.782 427 HA ALA 66 HA ALA 66 -9.355 -3.504 0.127 428 HB1 ALA 66 1HB ALA 66 -9.016 -5.682 -0.244 429 HB2 ALA 66 2HB ALA 66 -8.564 -5.409 -1.929 430 HB3 ALA 66 3HB ALA 66 -7.359 -5.241 -0.649 431 H CYS 67 H CYS 67 -6.997 -3.663 1.098 432 HA CYS 67 HA CYS 67 -5.355 -1.604 -0.196 433 HB2 CYS 67 2HB CYS 67 -6.225 -1.578 2.696 434 HB3 CYS 67 1HB CYS 67 -5.060 -0.473 1.978 435 H ALA 68 H ALA 68 -3.193 -1.836 0.031 436 HA ALA 68 HA ALA 68 -2.279 -4.154 1.597 437 HB1 ALA 68 1HB ALA 68 -0.132 -3.297 0.076 438 HB2 ALA 68 2HB ALA 68 -1.197 -4.653 -0.290 439 HB3 ALA 68 3HB ALA 68 -1.519 -3.065 -0.989 440 H LYS 69 H LYS 69 -1.134 -3.802 3.382 441 HA LYS 69 HA LYS 69 -0.657 -1.058 4.169 442 HB2 LYS 69 2HB LYS 69 0.257 -2.895 6.151 443 HB3 LYS 69 1HB LYS 69 -1.147 -1.838 6.203 444 HG2 LYS 69 2HG LYS 69 -1.377 -4.401 4.706 445 HG3 LYS 69 1HG LYS 69 -1.355 -4.463 6.466 446 HD2 LYS 69 2HD LYS 69 -3.307 -3.131 6.637 447 HD3 LYS 69 1HD LYS 69 -3.210 -2.650 4.942 448 HE2 LYS 69 2HE LYS 69 -4.074 -4.636 4.186 449 HE3 LYS 69 1HE LYS 69 -3.468 -5.552 5.562 450 HZ1 LYS 69 3HZ LYS 69 -5.210 -4.114 6.848 451 HZ2 LYS 69 1HZ LYS 69 -5.698 -5.505 6.015 452 HZ3 LYS 69 2HZ LYS 69 -5.937 -3.979 5.325 453 H ALA 70 H ALA 70 1.400 -0.385 5.125 454 HA ALA 70 HA ALA 70 3.517 -0.782 3.355 455 HB1 ALA 70 1HB ALA 70 4.687 0.741 4.593 456 HB2 ALA 70 2HB ALA 70 3.042 1.089 5.133 457 HB3 ALA 70 3HB ALA 70 4.108 0.101 6.133 458 H SER 71 H SER 71 2.866 -2.349 6.462 459 HA SER 71 HA SER 71 5.277 -3.780 6.679 460 HB2 SER 71 2HB SER 71 2.534 -4.035 7.807 461 HB3 SER 71 1HB SER 71 3.583 -5.449 7.909 462 HG SER 71 HG SER 71 3.839 -4.162 9.738 463 H LEU 72 H LEU 72 2.382 -4.306 4.807 464 HA LEU 72 HA LEU 72 3.103 -7.029 4.135 465 HB2 LEU 72 2HB LEU 72 0.738 -5.349 3.925 466 HB3 LEU 72 1HB LEU 72 1.030 -6.283 2.469 467 HG LEU 72 HG LEU 72 0.701 -8.310 3.533 468 HD11 LEU 72 1HD1 LEU 72 0.832 -7.179 6.296 469 HD12 LEU 72 2HD1 LEU 72 1.139 -8.826 5.740 470 HD13 LEU 72 3HD1 LEU 72 2.322 -7.557 5.427 471 HD21 LEU 72 3HD2 LEU 72 -1.417 -7.249 3.462 472 HD22 LEU 72 1HD2 LEU 72 -1.293 -8.019 5.045 473 HD23 LEU 72 2HD2 LEU 72 -1.055 -6.278 4.888 474 H ILE 73 H ILE 73 3.532 -3.860 2.857 475 HA ILE 73 HA ILE 73 4.137 -4.582 0.199 476 HB ILE 73 HB ILE 73 4.632 -2.222 1.914 477 HG12 ILE 73 2HG1 ILE 73 4.205 -1.706 -0.882 478 HG13 ILE 73 1HG1 ILE 73 3.079 -2.939 -0.326 479 HG21 ILE 73 1HG2 ILE 73 6.439 -2.890 -0.394 480 HG22 ILE 73 2HG2 ILE 73 6.184 -1.240 0.178 481 HG23 ILE 73 3HG2 ILE 73 6.885 -2.449 1.256 482 HD11 ILE 73 3HD1 ILE 73 3.448 -0.185 0.823 483 HD12 ILE 73 1HD1 ILE 73 2.075 -0.774 -0.115 484 HD13 ILE 73 2HD1 ILE 73 2.389 -1.424 1.496 485 H ASP 74 H ASP 74 5.955 -4.482 3.178 486 HA ASP 74 HA ASP 74 8.427 -5.386 2.022 487 HB2 ASP 74 2HB ASP 74 8.106 -3.964 4.136 488 HB3 ASP 74 1HB ASP 74 7.665 -5.468 4.939 489 H GLN 75 H GLN 75 5.545 -6.880 2.652 490 HA GLN 75 HA GLN 75 6.674 -9.431 3.511 491 HB2 GLN 75 2HB GLN 75 4.331 -8.129 4.163 492 HB3 GLN 75 1HB GLN 75 3.789 -9.307 2.978 493 HG2 GLN 75 2HG GLN 75 3.548 -10.254 5.145 494 HG3 GLN 75 1HG GLN 75 4.870 -11.081 4.328 495 HE21 GLN 75 1HE2 GLN 75 5.349 -7.885 5.554 496 HE22 GLN 75 2HE2 GLN 75 6.340 -8.325 6.894 497 H LEU 76 H LEU 76 4.872 -7.951 0.865 498 HA LEU 76 HA LEU 76 5.602 -10.223 -0.843 499 HB2 LEU 76 2HB LEU 76 2.879 -8.933 -0.667 500 HB3 LEU 76 1HB LEU 76 3.358 -10.061 -1.919 501 HG LEU 76 HG LEU 76 3.912 -11.501 0.335 502 HD11 LEU 76 1HD1 LEU 76 1.601 -9.669 0.901 503 HD12 LEU 76 2HD1 LEU 76 1.760 -11.250 1.664 504 HD13 LEU 76 3HD1 LEU 76 3.001 -10.024 1.913 505 HD21 LEU 76 3HD2 LEU 76 1.177 -11.493 -0.878 506 HD22 LEU 76 1HD2 LEU 76 2.586 -11.996 -1.810 507 HD23 LEU 76 2HD2 LEU 76 2.151 -12.859 -0.338 508 H GLY 77 H GLY 77 3.868 -7.110 -1.091 509 HA2 GLY 77 1HA GLY 77 4.634 -5.219 -2.300 510 HA3 GLY 77 2HA GLY 77 5.815 -6.240 -3.102 511 H LEU 78 H LEU 78 2.280 -6.431 -2.742 512 HA LEU 78 HA LEU 78 1.793 -7.518 -5.275 513 HB2 LEU 78 2HB LEU 78 -0.051 -5.898 -3.516 514 HB3 LEU 78 1HB LEU 78 -0.562 -6.840 -4.901 515 HG LEU 78 HG LEU 78 -1.081 -8.254 -3.160 516 HD11 LEU 78 1HD1 LEU 78 0.347 -9.431 -4.752 517 HD12 LEU 78 2HD1 LEU 78 1.768 -9.006 -3.794 518 HD13 LEU 78 3HD1 LEU 78 0.532 -10.072 -3.120 519 HD21 LEU 78 3HD2 LEU 78 0.934 -8.560 -1.368 520 HD22 LEU 78 1HD2 LEU 78 1.110 -6.855 -1.798 521 HD23 LEU 78 2HD2 LEU 78 -0.427 -7.455 -1.170 522 H LEU 79 H LEU 79 2.303 -6.574 -7.134 523 HA LEU 79 HA LEU 79 2.768 -3.766 -7.328 524 HB2 LEU 79 2HB LEU 79 2.691 -5.052 -9.899 525 HB3 LEU 79 1HB LEU 79 4.056 -4.363 -9.043 526 HG LEU 79 HG LEU 79 3.669 -6.766 -7.743 527 HD11 LEU 79 1HD1 LEU 79 3.322 -7.228 -10.700 528 HD12 LEU 79 2HD1 LEU 79 3.459 -8.457 -9.442 529 HD13 LEU 79 3HD1 LEU 79 2.044 -7.403 -9.498 530 HD21 LEU 79 3HD2 LEU 79 5.731 -5.503 -8.772 531 HD22 LEU 79 1HD2 LEU 79 5.787 -7.241 -8.478 532 HD23 LEU 79 2HD2 LEU 79 5.479 -6.632 -10.103 533 H ALA 80 H ALA 80 -0.098 -4.974 -7.077 534 HA ALA 80 HA ALA 80 -1.346 -3.578 -9.314 535 HB1 ALA 80 1HB ALA 80 -2.448 -5.601 -8.820 536 HB2 ALA 80 2HB ALA 80 -2.423 -5.288 -7.088 537 HB3 ALA 80 3HB ALA 80 -3.481 -4.347 -8.136 538 H LEU 81 H LEU 81 -0.560 -3.201 -5.980 539 HA LEU 81 HA LEU 81 -2.358 -0.893 -5.724 540 HB2 LEU 81 2HB LEU 81 -1.388 -2.969 -3.885 541 HB3 LEU 81 1HB LEU 81 -1.401 -1.351 -3.211 542 HG LEU 81 HG LEU 81 -3.705 -1.188 -3.274 543 HD11 LEU 81 1HD1 LEU 81 -3.907 -3.469 -5.220 544 HD12 LEU 81 2HD1 LEU 81 -5.173 -2.348 -4.727 545 HD13 LEU 81 3HD1 LEU 81 -3.829 -1.778 -5.711 546 HD21 LEU 81 3HD2 LEU 81 -2.647 -3.685 -2.372 547 HD22 LEU 81 1HD2 LEU 81 -3.982 -2.740 -1.717 548 HD23 LEU 81 2HD2 LEU 81 -4.278 -3.922 -2.991 549 H VAL 82 H VAL 82 0.784 -1.481 -6.488 550 HA VAL 82 HA VAL 82 1.652 1.031 -5.231 551 HB VAL 82 HB VAL 82 4.000 -0.374 -5.820 552 HG11 VAL 82 1HG1 VAL 82 2.619 0.112 -3.193 553 HG12 VAL 82 2HG1 VAL 82 4.305 -0.362 -3.374 554 HG13 VAL 82 3HG1 VAL 82 3.754 1.189 -4.011 555 HG21 VAL 82 3HG2 VAL 82 3.803 -2.537 -5.303 556 HG22 VAL 82 1HG2 VAL 82 2.738 -2.204 -3.937 557 HG23 VAL 82 2HG2 VAL 82 2.072 -2.312 -5.567 558 H ASP 83 H ASP 83 2.563 2.491 -6.450 559 HA ASP 83 HA ASP 83 2.832 2.032 -9.317 560 HB2 ASP 83 2HB ASP 83 1.698 4.075 -8.699 561 HB3 ASP 83 1HB ASP 83 2.982 4.520 -7.584 562 H HIS 84 H HIS 84 4.974 3.317 -10.196 563 HA HIS 84 HA HIS 84 7.180 2.564 -8.465 564 HB2 HIS 84 2HB HIS 84 6.353 0.844 -10.487 565 HB3 HIS 84 1HB HIS 84 7.753 1.682 -11.160 566 HD1 HIS 84 1HD HIS 84 9.820 1.824 -9.260 567 HD2 HIS 84 2HD HIS 84 7.105 -1.313 -9.059 568 HE1 HIS 84 1HE HIS 84 10.872 0.123 -7.755 569 HE2 HIS 84 2HE HIS 84 9.382 -1.905 -7.984 570 H THR 85 H THR 85 7.027 4.877 -8.429 571 HA THR 85 HA THR 85 7.917 6.394 -10.665 572 HB THR 85 HB THR 85 7.872 7.002 -7.698 573 HG1 THR 85 1HG THR 85 5.835 6.627 -9.176 574 HG21 THR 85 3HG2 THR 85 9.379 8.516 -8.670 575 HG22 THR 85 1HG2 THR 85 7.845 9.370 -8.518 576 HG23 THR 85 2HG2 THR 85 8.349 8.738 -10.084 577 H GLU 86 H GLU 86 10.053 7.531 -10.733 578 HA GLU 86 HA GLU 86 12.189 5.770 -10.728 579 HB2 GLU 86 2HB GLU 86 12.339 8.775 -10.468 580 HB3 GLU 86 1HB GLU 86 13.621 7.719 -11.044 581 HG2 GLU 86 2HG GLU 86 12.864 8.145 -13.080 582 HG3 GLU 86 1HG GLU 86 11.507 7.090 -12.686 583 H GLU 87 H GLU 87 11.155 7.969 -8.179 584 HA GLU 87 HA GLU 87 13.343 7.780 -6.459 585 HB2 GLU 87 2HB GLU 87 10.738 8.841 -6.377 586 HB3 GLU 87 1HB GLU 87 10.878 7.780 -4.983 587 HG2 GLU 87 2HG GLU 87 13.207 9.481 -5.337 588 HG3 GLU 87 1HG GLU 87 11.714 10.389 -5.114 589 H GLY 88 H GLY 88 10.290 5.989 -6.193 590 HA2 GLY 88 1HA GLY 88 11.492 3.459 -5.841 591 HA3 GLY 88 2HA GLY 88 11.064 4.152 -4.276 592 HA PRO 89 HA PRO 89 7.255 2.178 -6.147 593 HB2 PRO 89 2HB PRO 89 7.103 0.620 -3.670 594 HB3 PRO 89 1HB PRO 89 7.128 0.046 -5.338 595 HG2 PRO 89 2HG PRO 89 9.203 -0.318 -3.617 596 HG3 PRO 89 1HG PRO 89 9.417 -0.164 -5.371 597 HD2 PRO 89 2HD PRO 89 9.844 1.873 -3.220 598 HD3 PRO 89 1HD PRO 89 10.799 1.563 -4.685 599 H VAL 90 H VAL 90 5.332 3.066 -5.721 600 HA VAL 90 HA VAL 90 5.025 4.564 -3.211 601 HB VAL 90 HB VAL 90 3.967 6.281 -5.058 602 HG11 VAL 90 1HG1 VAL 90 6.538 7.208 -4.784 603 HG12 VAL 90 2HG1 VAL 90 5.228 7.463 -3.632 604 HG13 VAL 90 3HG1 VAL 90 6.360 6.131 -3.399 605 HG21 VAL 90 3HG2 VAL 90 6.021 6.499 -6.669 606 HG22 VAL 90 1HG2 VAL 90 6.230 4.779 -6.320 607 HG23 VAL 90 2HG2 VAL 90 4.727 5.359 -7.042 608 H CYS 91 H CYS 91 2.697 5.750 -3.434 609 HA CYS 91 HA CYS 91 0.813 3.634 -3.466 610 HB2 CYS 91 2HB CYS 91 0.864 6.335 -2.587 611 HB3 CYS 91 1HB CYS 91 -0.518 6.161 -3.670 612 H LYS 92 H LYS 92 -0.573 2.957 -4.998 613 HA LYS 92 HA LYS 92 0.019 3.582 -7.713 614 HB2 LYS 92 2HB LYS 92 -1.346 1.546 -6.277 615 HB3 LYS 92 1HB LYS 92 -2.470 2.200 -7.457 616 HG2 LYS 92 2HG LYS 92 0.192 0.925 -7.945 617 HG3 LYS 92 1HG LYS 92 -1.390 0.380 -8.485 618 HD2 LYS 92 2HD LYS 92 -0.864 3.046 -9.421 619 HD3 LYS 92 1HD LYS 92 0.452 1.962 -9.872 620 HE2 LYS 92 2HE LYS 92 -1.951 2.255 -11.205 621 HE3 LYS 92 1HE LYS 92 -0.796 0.941 -11.412 622 HZ1 LYS 92 3HZ LYS 92 -3.257 0.979 -9.776 623 HZ2 LYS 92 1HZ LYS 92 -2.041 -0.164 -9.504 624 HZ3 LYS 92 2HZ LYS 92 -2.827 -0.102 -11.005 625 H ASN 93 H ASN 93 -2.688 4.217 -5.552 626 HA ASN 93 HA ASN 93 -3.695 6.277 -7.323 627 HB2 ASN 93 2HB ASN 93 -4.920 3.599 -7.030 628 HB3 ASN 93 1HB ASN 93 -6.024 4.957 -6.911 629 HD21 ASN 93 1HD2 ASN 93 -4.295 2.925 -8.963 630 HD22 ASN 93 2HD2 ASN 93 -4.610 3.736 -10.455 631 H ILE 94 H ILE 94 -5.013 4.262 -4.697 632 HA ILE 94 HA ILE 94 -5.943 6.714 -3.397 633 HB ILE 94 HB ILE 94 -6.719 3.857 -2.808 634 HG12 ILE 94 2HG1 ILE 94 -8.490 5.798 -4.246 635 HG13 ILE 94 1HG1 ILE 94 -7.270 4.905 -5.150 636 HG21 ILE 94 1HG2 ILE 94 -7.486 4.845 -0.948 637 HG22 ILE 94 2HG2 ILE 94 -7.441 6.457 -1.659 638 HG23 ILE 94 3HG2 ILE 94 -8.798 5.382 -2.001 639 HD11 ILE 94 3HD1 ILE 94 -9.457 3.823 -5.219 640 HD12 ILE 94 1HD1 ILE 94 -8.243 2.810 -4.434 641 HD13 ILE 94 2HD1 ILE 94 -9.435 3.675 -3.460 642 H VAL 95 H VAL 95 -4.777 7.481 -1.754 643 HA VAL 95 HA VAL 95 -3.173 5.647 -0.146 644 HB VAL 95 HB VAL 95 -2.072 7.720 -0.787 645 HG11 VAL 95 1HG1 VAL 95 -3.228 9.730 0.732 646 HG12 VAL 95 2HG1 VAL 95 -3.285 9.563 -1.023 647 HG13 VAL 95 3HG1 VAL 95 -4.592 8.914 -0.033 648 HG21 VAL 95 3HG2 VAL 95 -2.664 7.221 2.086 649 HG22 VAL 95 1HG2 VAL 95 -1.154 7.035 1.193 650 HG23 VAL 95 2HG2 VAL 95 -1.717 8.645 1.647 651 H ALA 96 H ALA 96 -3.776 4.993 1.857 652 HA ALA 96 HA ALA 96 -6.012 6.314 3.172 653 HB1 ALA 96 1HB ALA 96 -6.303 3.382 2.736 654 HB2 ALA 96 2HB ALA 96 -7.536 4.607 3.033 655 HB3 ALA 96 3HB ALA 96 -6.768 4.495 1.450 656 H CYS 97 H CYS 97 -6.544 5.217 5.259 657 HA CYS 97 HA CYS 97 -4.101 4.154 6.479 658 HB2 CYS 97 2HB CYS 97 -6.220 4.836 8.343 659 HB3 CYS 97 1HB CYS 97 -4.550 5.389 8.296 660 H CYS 98 H CYS 98 -4.038 2.065 6.815 661 HA CYS 98 HA CYS 98 -6.537 0.589 7.218 662 HB2 CYS 98 2HB CYS 98 -5.918 0.541 4.798 663 HB3 CYS 98 1HB CYS 98 -4.395 -0.222 5.244 664 HA PRO 99 HA PRO 99 -3.985 -1.221 10.399 665 HB2 PRO 99 2HB PRO 99 -5.798 -3.115 11.149 666 HB3 PRO 99 1HB PRO 99 -5.929 -1.420 11.626 667 HG2 PRO 99 2HG PRO 99 -7.326 -2.867 9.415 668 HG3 PRO 99 1HG PRO 99 -7.987 -1.715 10.589 669 HD2 PRO 99 2HD PRO 99 -7.362 -0.983 8.076 670 HD3 PRO 99 1HD PRO 99 -7.155 0.118 9.455 671 H GLU 100 H GLU 100 -2.443 -2.778 10.205 672 HA GLU 100 HA GLU 100 -2.430 -4.582 8.026 673 HB2 GLU 100 2HB GLU 100 -0.430 -3.659 9.389 674 HB3 GLU 100 1HB GLU 100 -0.774 -4.975 10.503 675 HG2 GLU 100 2HG GLU 100 -0.742 -6.225 8.048 676 HG3 GLU 100 1HG GLU 100 0.541 -5.021 7.915 677 H GLY 101 H GLY 101 -3.545 -6.369 7.820 678 HA2 GLY 101 1HA GLY 101 -4.050 -8.586 8.674 679 HA3 GLY 101 2HA GLY 101 -4.351 -7.829 10.236 680 H THR 102 H THR 102 -6.368 -7.393 10.720 681 HA THR 102 HA THR 102 -8.382 -7.838 8.637 682 HB THR 102 HB THR 102 -9.919 -8.252 10.520 683 HG1 THR 102 1HG THR 102 -8.638 -8.524 12.623 684 HG21 THR 102 3HG2 THR 102 -7.487 -9.810 10.016 685 HG22 THR 102 1HG2 THR 102 -9.174 -10.326 10.070 686 HG23 THR 102 2HG2 THR 102 -8.257 -10.153 11.565 687 H THR 103 H THR 103 -10.555 -6.680 9.507 688 HA THR 103 HA THR 103 -11.744 -4.799 9.863 689 HB THR 103 HB THR 103 -9.340 -3.220 10.707 690 HG1 THR 103 1HG THR 103 -9.068 -5.133 11.839 691 HG21 THR 103 3HG2 THR 103 -11.105 -1.832 11.030 692 HG22 THR 103 1HG2 THR 103 -11.311 -2.761 12.516 693 HG23 THR 103 2HG2 THR 103 -12.269 -3.155 11.086 694 H ASN 104 H ASN 104 -12.238 -2.820 8.917 695 HA ASN 104 HA ASN 104 -11.330 -2.714 6.207 696 HB2 ASN 104 2HB ASN 104 -12.995 -0.693 6.223 697 HB3 ASN 104 1HB ASN 104 -13.614 -2.337 6.349 698 HD21 ASN 104 1HD2 ASN 104 -13.272 0.705 7.889 699 HD22 ASN 104 2HD2 ASN 104 -14.137 0.323 9.339 700 H CYS 105 H CYS 105 -10.690 -0.733 5.146 701 HA CYS 105 HA CYS 105 -8.977 0.935 6.881 702 HB2 CYS 105 2HB CYS 105 -8.509 0.897 3.956 703 HB3 CYS 105 1HB CYS 105 -7.355 0.835 5.284 704 H VAL 106 H VAL 106 -9.106 3.159 6.677 705 HA VAL 106 HA VAL 106 -11.430 4.127 5.204 706 HB VAL 106 HB VAL 106 -11.624 5.898 6.707 707 HG11 VAL 106 1HG1 VAL 106 -10.376 3.836 8.500 708 HG12 VAL 106 2HG1 VAL 106 -11.704 4.940 8.857 709 HG13 VAL 106 3HG1 VAL 106 -11.948 3.605 7.731 710 HG21 VAL 106 3HG2 VAL 106 -8.872 6.082 6.583 711 HG22 VAL 106 1HG2 VAL 106 -9.944 7.100 7.548 712 HG23 VAL 106 2HG2 VAL 106 -9.188 5.678 8.272 713 H ALA 107 H ALA 107 -11.319 5.545 3.585 714 HA ALA 107 HA ALA 107 -8.663 6.435 2.721 715 HB1 ALA 107 1HB ALA 107 -10.531 7.127 0.761 716 HB2 ALA 107 2HB ALA 107 -9.379 5.795 0.718 717 HB3 ALA 107 3HB ALA 107 -11.011 5.525 1.324 718 H VAL 108 H VAL 108 -8.106 8.407 3.315 719 HA VAL 108 HA VAL 108 -10.190 10.192 4.305 720 HB VAL 108 HB VAL 108 -8.120 11.492 5.157 721 HG11 VAL 108 1HG1 VAL 108 -7.960 9.186 6.776 722 HG12 VAL 108 2HG1 VAL 108 -8.910 10.645 7.053 723 HG13 VAL 108 3HG1 VAL 108 -9.618 9.285 6.179 724 HG21 VAL 108 3HG2 VAL 108 -6.847 9.474 3.698 725 HG22 VAL 108 1HG2 VAL 108 -6.098 10.663 4.763 726 HG23 VAL 108 2HG2 VAL 108 -6.572 9.085 5.396 727 H ASP 109 H ASP 109 -9.397 9.894 1.373 728 HA ASP 109 HA ASP 109 -8.946 12.771 0.956 729 HB2 ASP 109 2HB ASP 109 -7.055 11.621 0.025 730 HB3 ASP 109 1HB ASP 109 -8.099 10.488 -0.831 731 H ASN 110 H ASN 110 -10.389 13.864 -0.089 732 HA ASN 110 HA ASN 110 -12.052 12.650 -2.110 733 HB2 ASN 110 2HB ASN 110 -14.099 13.884 -1.034 734 HB3 ASN 110 1HB ASN 110 -13.654 12.287 -0.449 735 HD21 ASN 110 1HD2 ASN 110 -12.771 12.066 1.610 736 HD22 ASN 110 2HD2 ASN 110 -12.814 13.354 2.779 737 H ALA 111 H ALA 111 -9.860 14.553 -1.842 738 HA ALA 111 HA ALA 111 -11.153 16.914 -3.024 739 HB1 ALA 111 1HB ALA 111 -10.564 17.315 -0.632 740 HB2 ALA 111 2HB ALA 111 -8.869 17.093 -1.074 741 HB3 ALA 111 3HB ALA 111 -9.798 18.421 -1.776 742 H GLY 112 H GLY 112 -8.269 14.914 -2.695 743 HA2 GLY 112 1HA GLY 112 -6.631 14.470 -4.273 744 HA3 GLY 112 2HA GLY 112 -7.479 15.517 -5.402 745 H ALA 113 H ALA 113 -5.270 15.475 -2.660 746 HA ALA 113 HA ALA 113 -4.639 18.284 -2.991 747 HB1 ALA 113 1HB ALA 113 -2.970 16.721 -1.159 748 HB2 ALA 113 2HB ALA 113 -3.856 18.223 -0.888 749 HB3 ALA 113 3HB ALA 113 -4.699 16.675 -0.804 750 H GLY 114 H GLY 114 -3.035 15.184 -3.400 751 HA2 GLY 114 1HA GLY 114 -1.266 16.243 -5.389 752 HA3 GLY 114 2HA GLY 114 -0.443 15.918 -3.867 753 H THR 115 H THR 115 0.725 14.430 -5.448 754 HA THR 115 HA THR 115 -0.783 11.934 -5.827 755 HB THR 115 HB THR 115 1.775 11.938 -7.159 756 HG1 THR 115 1HG THR 115 1.413 14.253 -7.159 757 HG21 THR 115 3HG2 THR 115 -0.813 10.988 -7.553 758 HG22 THR 115 1HG2 THR 115 0.560 10.796 -8.643 759 HG23 THR 115 2HG2 THR 115 -0.557 12.142 -8.863 760 H LYS 116 H LYS 116 2.584 12.921 -5.203 761 HA LYS 116 HA LYS 116 2.694 11.296 -2.821 762 HB2 LYS 116 2HB LYS 116 5.036 10.429 -3.963 763 HB3 LYS 116 1HB LYS 116 3.565 9.477 -3.843 764 HG2 LYS 116 2HG LYS 116 3.196 9.530 -6.050 765 HG3 LYS 116 1HG LYS 116 3.689 11.219 -6.199 766 HD2 LYS 116 2HD LYS 116 6.068 10.052 -5.651 767 HD3 LYS 116 1HD LYS 116 5.258 8.741 -6.512 768 HE2 LYS 116 2HE LYS 116 5.259 11.534 -7.605 769 HE3 LYS 116 1HE LYS 116 6.628 10.459 -7.871 770 HZ1 LYS 116 3HZ LYS 116 5.362 9.014 -9.135 771 HZ2 LYS 116 1HZ LYS 116 4.762 10.532 -9.610 772 HZ3 LYS 116 2HZ LYS 116 3.886 9.579 -8.518 773 H ALA 117 H ALA 117 5.334 12.326 -4.930 774 HA ALA 117 HA ALA 117 6.098 14.332 -2.944 775 HB1 ALA 117 1HB ALA 117 8.211 13.987 -3.598 776 HB2 ALA 117 2HB ALA 117 7.609 12.621 -4.541 777 HB3 ALA 117 3HB ALA 117 7.789 14.205 -5.295 778 H GLU 118 H GLU 118 4.242 15.607 -3.408 779 HA GLU 118 HA GLU 118 3.020 17.227 -4.404 780 HB2 GLU 118 2HB GLU 118 5.607 17.660 -5.911 781 HB3 GLU 118 1HB GLU 118 4.208 18.715 -6.064 782 HG2 GLU 118 2HG GLU 118 4.571 19.702 -4.073 783 HG3 GLU 118 1HG GLU 118 5.122 18.212 -3.311
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