NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
503787 | 1x4u | 11131 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 7.381 28.279 -20.007 2 HA2 GLY 1 1HA GLY 1 5.248 28.984 -18.180 3 HA3 GLY 1 2HA GLY 1 4.744 28.813 -19.855 4 H SER 2 H SER 2 5.165 27.219 -16.960 5 HA SER 2 HA SER 2 5.111 24.603 -18.317 6 HB2 SER 2 1HB SER 2 6.424 25.368 -15.705 7 HB3 SER 2 2HB SER 2 6.123 23.695 -16.173 8 HG SER 2 HG SER 2 7.396 24.098 -18.051 9 H SER 3 H SER 3 3.362 23.404 -17.959 10 HA SER 3 HA SER 3 1.478 24.287 -15.891 11 HB2 SER 3 1HB SER 3 0.621 24.191 -18.202 12 HB3 SER 3 2HB SER 3 1.020 22.474 -18.274 13 HG SER 3 HG SER 3 -0.573 23.318 -16.154 14 H GLY 4 H GLY 4 0.616 22.877 -14.381 15 HA2 GLY 4 1HA GLY 4 0.866 20.119 -14.288 16 HA3 GLY 4 2HA GLY 4 2.317 20.761 -13.534 17 H SER 5 H SER 5 -1.155 21.578 -13.458 18 HA SER 5 HA SER 5 -1.026 21.390 -10.522 19 HB2 SER 5 1HB SER 5 -2.623 23.448 -12.063 20 HB3 SER 5 2HB SER 5 -2.452 23.334 -10.311 21 HG SER 5 HG SER 5 -0.324 23.808 -12.130 22 H SER 6 H SER 6 -2.604 20.242 -9.575 23 HA SER 6 HA SER 6 -4.646 19.071 -11.316 24 HB2 SER 6 1HB SER 6 -4.914 17.377 -9.593 25 HB3 SER 6 2HB SER 6 -3.201 17.556 -9.971 26 HG SER 6 HG SER 6 -3.567 19.240 -8.069 27 H GLY 7 H GLY 7 -6.704 19.686 -11.223 28 HA2 GLY 7 1HA GLY 7 -7.544 21.335 -8.922 29 HA3 GLY 7 2HA GLY 7 -8.194 21.489 -10.548 30 H ARG 8 H ARG 8 -7.831 19.008 -8.012 31 HA ARG 8 HA ARG 8 -10.637 18.263 -8.485 32 HB2 ARG 8 1HB ARG 8 -10.150 15.947 -8.407 33 HB3 ARG 8 2HB ARG 8 -8.981 16.645 -9.521 34 HG2 ARG 8 1HG ARG 8 -8.243 16.327 -6.652 35 HG3 ARG 8 2HG ARG 8 -8.235 14.917 -7.714 36 HD2 ARG 8 1HD ARG 8 -6.817 16.332 -9.294 37 HD3 ARG 8 2HD ARG 8 -6.616 17.438 -7.936 38 HE ARG 8 HE ARG 8 -5.405 14.841 -8.261 39 HH11 ARG 8 2HH1 ARG 8 -6.300 17.355 -6.025 40 HH12 ARG 8 1HH1 ARG 8 -5.137 16.886 -4.830 41 HH21 ARG 8 2HH2 ARG 8 -3.870 14.213 -6.696 42 HH22 ARG 8 1HH2 ARG 8 -3.754 15.099 -5.213 43 H TYR 9 H TYR 9 -11.652 17.165 -6.660 44 HA TYR 9 HA TYR 9 -11.602 18.473 -4.310 45 HB2 TYR 9 1HB TYR 9 -12.227 16.082 -3.308 46 HB3 TYR 9 2HB TYR 9 -13.329 16.973 -4.353 47 HD1 TYR 9 2HD TYR 9 -10.874 14.212 -4.254 48 HD2 TYR 9 1HD TYR 9 -13.938 16.137 -6.493 49 HE1 TYR 9 2HE TYR 9 -10.920 12.312 -5.815 50 HE2 TYR 9 1HE TYR 9 -13.993 14.241 -8.059 51 HH TYR 9 HH TYR 9 -13.388 11.776 -7.986 52 HA PRO 10 HA PRO 10 -7.776 17.683 -2.282 53 HB2 PRO 10 1HB PRO 10 -8.526 18.227 0.270 54 HB3 PRO 10 2HB PRO 10 -8.286 19.484 -0.950 55 HG2 PRO 10 1HG PRO 10 -10.832 18.228 0.000 56 HG3 PRO 10 2HG PRO 10 -10.481 19.934 -0.330 57 HD2 PRO 10 1HD PRO 10 -11.814 18.356 -2.080 58 HD3 PRO 10 2HD PRO 10 -10.755 19.681 -2.604 59 H THR 11 H THR 11 -10.527 15.781 -1.915 60 HA THR 11 HA THR 11 -9.323 13.995 0.060 61 HB THR 11 HB THR 11 -11.735 14.563 0.257 62 HG1 THR 11 1HG THR 11 -11.626 12.681 1.220 63 HG21 THR 11 1HG2 THR 11 -12.805 14.701 -1.729 64 HG22 THR 11 2HG2 THR 11 -13.058 12.972 -1.494 65 HG23 THR 11 3HG2 THR 11 -11.730 13.539 -2.505 66 H ASN 12 H ASN 12 -9.517 11.602 -0.414 67 HA ASN 12 HA ASN 12 -8.955 11.034 -3.246 68 HB2 ASN 12 1HB ASN 12 -6.811 11.065 -2.180 69 HB3 ASN 12 2HB ASN 12 -7.402 10.103 -0.828 70 HD21 ASN 12 1HD2 ASN 12 -7.878 7.890 -1.180 71 HD22 ASN 12 2HD2 ASN 12 -7.133 7.022 -2.474 72 H ASN 13 H ASN 13 -9.340 8.831 -3.900 73 HA ASN 13 HA ASN 13 -11.767 7.790 -3.224 74 HB2 ASN 13 1HB ASN 13 -10.702 6.980 -5.188 75 HB3 ASN 13 2HB ASN 13 -9.305 6.405 -4.282 76 HD21 ASN 13 1HD2 ASN 13 -9.234 4.302 -4.062 77 HD22 ASN 13 2HD2 ASN 13 -10.590 3.236 -3.959 78 H PHE 14 H PHE 14 -12.494 6.039 -1.950 79 HA PHE 14 HA PHE 14 -10.694 4.963 0.066 80 HB2 PHE 14 1HB PHE 14 -11.896 5.716 1.949 81 HB3 PHE 14 2HB PHE 14 -11.743 7.139 0.923 82 HD1 PHE 14 2HD PHE 14 -13.723 7.675 -0.625 83 HD2 PHE 14 1HD PHE 14 -13.976 5.043 2.710 84 HE1 PHE 14 2HE PHE 14 -16.166 7.969 -0.583 85 HE2 PHE 14 1HE PHE 14 -16.419 5.332 2.757 86 HZ PHE 14 HZ PHE 14 -17.517 6.797 1.110 87 H GLY 15 H GLY 15 -12.059 3.442 1.574 88 HA2 GLY 15 1HA GLY 15 -13.585 1.708 1.799 89 HA3 GLY 15 2HA GLY 15 -14.363 2.242 0.317 90 H ASN 16 H ASN 16 -11.537 2.167 -0.913 91 HA ASN 16 HA ASN 16 -11.194 -0.732 -1.119 92 HB2 ASN 16 1HB ASN 16 -11.175 0.869 -3.648 93 HB3 ASN 16 2HB ASN 16 -11.490 -0.848 -3.416 94 HD21 ASN 16 1HD2 ASN 16 -13.464 -1.055 -1.731 95 HD22 ASN 16 2HD2 ASN 16 -14.874 -0.207 -2.256 96 H CYS 17 H CYS 17 -9.235 -1.149 -2.685 97 HA CYS 17 HA CYS 17 -6.962 -0.035 -1.468 98 HB2 CYS 17 1HB CYS 17 -6.958 -2.249 -2.530 99 HB3 CYS 17 2HB CYS 17 -7.182 -1.500 -4.107 100 H THR 18 H THR 18 -5.348 1.348 -2.301 101 HA THR 18 HA THR 18 -6.412 3.386 -4.113 102 HB THR 18 HB THR 18 -3.943 3.498 -2.369 103 HG1 THR 18 1HG THR 18 -6.267 4.987 -1.857 104 HG21 THR 18 1HG2 THR 18 -4.813 6.069 -2.876 105 HG22 THR 18 2HG2 THR 18 -5.033 5.251 -4.423 106 HG23 THR 18 3HG2 THR 18 -3.448 5.266 -3.651 107 H GLY 19 H GLY 19 -5.190 0.701 -4.872 108 HA2 GLY 19 1HA GLY 19 -3.249 1.809 -6.800 109 HA3 GLY 19 2HA GLY 19 -2.922 0.305 -5.953 110 H CYS 20 H CYS 20 -5.213 -1.077 -6.077 111 HA CYS 20 HA CYS 20 -5.666 -1.369 -8.973 112 HB2 CYS 20 1HB CYS 20 -6.129 -3.750 -8.507 113 HB3 CYS 20 2HB CYS 20 -4.503 -3.285 -8.019 114 H SER 21 H SER 21 -7.102 -0.135 -6.354 115 HA SER 21 HA SER 21 -9.244 0.235 -5.659 116 HB2 SER 21 1HB SER 21 -9.572 -0.013 -8.648 117 HB3 SER 21 2HB SER 21 -10.908 0.439 -7.589 118 HG SER 21 HG SER 21 -9.588 2.195 -6.864 119 H ALA 22 H ALA 22 -8.493 -2.360 -5.193 120 HA ALA 22 HA ALA 22 -10.793 -3.996 -6.006 121 HB1 ALA 22 1HB ALA 22 -9.400 -5.885 -5.050 122 HB2 ALA 22 2HB ALA 22 -8.779 -5.112 -6.509 123 HB3 ALA 22 3HB ALA 22 -8.079 -4.722 -4.938 124 H THR 23 H THR 23 -12.429 -3.616 -4.620 125 HA THR 23 HA THR 23 -12.456 -2.752 -2.061 126 HB THR 23 HB THR 23 -14.256 -5.004 -2.958 127 HG1 THR 23 1HG THR 23 -14.572 -2.211 -3.442 128 HG21 THR 23 1HG2 THR 23 -15.722 -3.102 -1.586 129 HG22 THR 23 2HG2 THR 23 -14.197 -3.168 -0.702 130 HG23 THR 23 3HG2 THR 23 -15.145 -4.636 -0.937 131 H PHE 24 H PHE 24 -12.462 -3.672 0.016 132 HA PHE 24 HA PHE 24 -10.803 -6.063 0.234 133 HB2 PHE 24 1HB PHE 24 -11.684 -4.237 2.470 134 HB3 PHE 24 2HB PHE 24 -10.349 -5.384 2.482 135 HD1 PHE 24 1HD PHE 24 -8.273 -4.888 1.301 136 HD2 PHE 24 2HD PHE 24 -11.466 -2.077 1.460 137 HE1 PHE 24 1HE PHE 24 -6.738 -3.108 0.576 138 HE2 PHE 24 2HE PHE 24 -9.935 -0.293 0.734 139 HZ PHE 24 HZ PHE 24 -7.568 -0.807 0.290 140 H SER 25 H SER 25 -12.179 -7.770 -0.092 141 HA SER 25 HA SER 25 -14.739 -7.953 1.171 142 HB2 SER 25 1HB SER 25 -14.925 -10.090 0.139 143 HB3 SER 25 2HB SER 25 -14.047 -9.078 -1.007 144 HG SER 25 HG SER 25 -13.136 -11.212 -0.631 145 H VAL 26 H VAL 26 -15.264 -9.981 2.491 146 HA VAL 26 HA VAL 26 -14.216 -9.855 4.991 147 HB VAL 26 HB VAL 26 -16.223 -11.176 4.365 148 HG11 VAL 26 1HG1 VAL 26 -14.515 -13.541 3.791 149 HG12 VAL 26 2HG1 VAL 26 -16.155 -13.172 3.255 150 HG13 VAL 26 3HG1 VAL 26 -14.779 -12.368 2.501 151 HG21 VAL 26 1HG2 VAL 26 -16.114 -12.406 6.264 152 HG22 VAL 26 2HG2 VAL 26 -14.558 -13.122 5.844 153 HG23 VAL 26 3HG2 VAL 26 -14.629 -11.485 6.497 154 H LEU 27 H LEU 27 -12.927 -11.657 2.269 155 HA LEU 27 HA LEU 27 -10.950 -13.043 3.824 156 HB2 LEU 27 1HB LEU 27 -11.649 -12.807 0.949 157 HB3 LEU 27 2HB LEU 27 -10.008 -13.309 1.351 158 HG LEU 27 HG LEU 27 -11.345 -15.038 2.880 159 HD11 LEU 27 1HD1 LEU 27 -13.215 -15.748 1.069 160 HD12 LEU 27 2HD1 LEU 27 -13.310 -13.991 0.958 161 HD13 LEU 27 3HD1 LEU 27 -13.550 -14.790 2.512 162 HD21 LEU 27 1HD2 LEU 27 -9.912 -16.090 1.489 163 HD22 LEU 27 2HD2 LEU 27 -10.349 -15.090 0.103 164 HD23 LEU 27 3HD2 LEU 27 -11.387 -16.434 0.583 165 H LYS 28 H LYS 28 -10.866 -10.361 1.486 166 HA LYS 28 HA LYS 28 -8.090 -9.836 1.884 167 HB2 LYS 28 1HB LYS 28 -9.581 -9.238 -0.143 168 HB3 LYS 28 2HB LYS 28 -10.061 -7.837 0.806 169 HG2 LYS 28 1HG LYS 28 -7.706 -7.151 0.951 170 HG3 LYS 28 2HG LYS 28 -7.259 -8.533 -0.052 171 HD2 LYS 28 1HD LYS 28 -9.345 -6.658 -1.055 172 HD3 LYS 28 2HD LYS 28 -7.657 -6.145 -1.103 173 HE2 LYS 28 1HE LYS 28 -7.790 -7.161 -3.138 174 HE3 LYS 28 2HE LYS 28 -7.342 -8.555 -2.157 175 HZ1 LYS 28 1HZ LYS 28 -9.832 -7.974 -3.517 176 HZ2 LYS 28 2HZ LYS 28 -10.004 -8.612 -1.960 177 HZ3 LYS 28 3HZ LYS 28 -9.130 -9.465 -3.131 178 H LYS 29 H LYS 29 -7.088 -8.413 3.213 179 HA LYS 29 HA LYS 29 -8.791 -6.979 5.142 180 HB2 LYS 29 1HB LYS 29 -5.998 -8.083 5.488 181 HB3 LYS 29 2HB LYS 29 -6.847 -7.120 6.690 182 HG2 LYS 29 1HG LYS 29 -7.312 -9.196 7.479 183 HG3 LYS 29 2HG LYS 29 -8.679 -9.000 6.379 184 HD2 LYS 29 1HD LYS 29 -7.842 -11.134 5.895 185 HD3 LYS 29 2HD LYS 29 -7.183 -10.107 4.620 186 HE2 LYS 29 1HE LYS 29 -5.344 -11.356 5.277 187 HE3 LYS 29 2HE LYS 29 -5.148 -9.863 6.193 188 HZ1 LYS 29 1HZ LYS 29 -5.181 -12.396 7.216 189 HZ2 LYS 29 2HZ LYS 29 -6.710 -11.788 7.606 190 HZ3 LYS 29 3HZ LYS 29 -5.321 -10.960 8.100 191 H ARG 30 H ARG 30 -8.715 -4.833 5.112 192 HA ARG 30 HA ARG 30 -7.178 -3.385 3.264 193 HB2 ARG 30 1HB ARG 30 -9.371 -2.752 4.524 194 HB3 ARG 30 2HB ARG 30 -8.280 -2.120 5.750 195 HG2 ARG 30 1HG ARG 30 -7.529 -0.423 4.408 196 HG3 ARG 30 2HG ARG 30 -7.884 -1.299 2.918 197 HD2 ARG 30 1HD ARG 30 -10.207 -0.872 3.116 198 HD3 ARG 30 2HD ARG 30 -10.029 -0.296 4.773 199 HE ARG 30 HE ARG 30 -8.601 1.228 2.769 200 HH11 ARG 30 2HH1 ARG 30 -11.523 0.867 4.628 201 HH12 ARG 30 1HH1 ARG 30 -12.001 2.521 4.441 202 HH21 ARG 30 2HH2 ARG 30 -9.221 3.409 2.516 203 HH22 ARG 30 1HH2 ARG 30 -10.692 3.966 3.238 204 H ARG 31 H ARG 31 -5.000 -3.580 3.395 205 HA ARG 31 HA ARG 31 -3.610 -3.431 5.914 206 HB2 ARG 31 1HB ARG 31 -2.866 -3.895 3.074 207 HB3 ARG 31 2HB ARG 31 -1.618 -3.253 4.134 208 HG2 ARG 31 1HG ARG 31 -1.554 -5.153 5.434 209 HG3 ARG 31 2HG ARG 31 -3.188 -5.643 4.983 210 HD2 ARG 31 1HD ARG 31 -2.408 -6.179 2.730 211 HD3 ARG 31 2HD ARG 31 -0.777 -5.672 3.170 212 HE ARG 31 HE ARG 31 -0.477 -7.674 4.245 213 HH11 ARG 31 2HH1 ARG 31 -3.864 -7.221 3.576 214 HH12 ARG 31 1HH1 ARG 31 -4.306 -8.828 4.047 215 HH21 ARG 31 2HH2 ARG 31 -1.047 -9.793 4.868 216 HH22 ARG 31 1HH2 ARG 31 -2.703 -10.290 4.783 217 H SER 32 H SER 32 -1.582 -1.925 5.916 218 HA SER 32 HA SER 32 -2.301 0.737 4.906 219 HB2 SER 32 1HB SER 32 -1.790 1.770 7.038 220 HB3 SER 32 2HB SER 32 -3.014 0.526 7.290 221 HG SER 32 HG SER 32 -0.556 -0.534 7.529 222 H CYS 33 H CYS 33 -0.673 1.656 3.857 223 HA CYS 33 HA CYS 33 1.838 0.448 3.555 224 HB2 CYS 33 1HB CYS 33 0.750 2.047 1.947 225 HB3 CYS 33 2HB CYS 33 1.186 3.354 3.043 226 H SER 34 H SER 34 3.952 1.495 4.034 227 HA SER 34 HA SER 34 3.947 2.482 6.801 228 HB2 SER 34 1HB SER 34 5.241 0.344 5.952 229 HB3 SER 34 2HB SER 34 6.435 1.533 5.433 230 HG SER 34 HG SER 34 5.393 1.313 8.065 231 H ASN 35 H ASN 35 4.991 3.217 3.553 232 HA ASN 35 HA ASN 35 6.555 5.510 4.387 233 HB2 ASN 35 1HB ASN 35 7.367 4.276 2.481 234 HB3 ASN 35 2HB ASN 35 5.818 4.435 1.658 235 HD21 ASN 35 1HD2 ASN 35 6.237 5.634 -0.066 236 HD22 ASN 35 2HD2 ASN 35 7.017 7.176 -0.050 237 H CYS 36 H CYS 36 4.026 5.300 1.895 238 HA CYS 36 HA CYS 36 3.256 8.005 2.207 239 HB2 CYS 36 1HB CYS 36 1.546 7.547 0.604 240 HB3 CYS 36 2HB CYS 36 2.952 6.596 0.136 241 H GLY 37 H GLY 37 2.020 4.978 3.512 242 HA2 GLY 37 1HA GLY 37 0.759 4.670 5.436 243 HA3 GLY 37 2HA GLY 37 0.642 6.415 5.601 244 H ASN 38 H ASN 38 -0.277 4.511 2.776 245 HA ASN 38 HA ASN 38 -3.038 5.456 3.153 246 HB2 ASN 38 1HB ASN 38 -1.824 4.482 0.566 247 HB3 ASN 38 2HB ASN 38 -3.316 5.392 0.785 248 HD21 ASN 38 1HD2 ASN 38 -1.209 6.110 -0.941 249 HD22 ASN 38 2HD2 ASN 38 -0.553 7.609 -0.386 250 H SER 39 H SER 39 -4.673 3.953 2.002 251 HA SER 39 HA SER 39 -4.358 1.331 3.196 252 HB2 SER 39 1HB SER 39 -6.712 2.484 1.680 253 HB3 SER 39 2HB SER 39 -6.717 1.017 2.658 254 HG SER 39 HG SER 39 -7.234 3.443 3.470 255 H PHE 40 H PHE 40 -4.315 -0.611 2.118 256 HA PHE 40 HA PHE 40 -4.528 -0.700 -0.766 257 HB2 PHE 40 1HB PHE 40 -1.917 -1.272 0.646 258 HB3 PHE 40 2HB PHE 40 -2.263 -1.760 -1.010 259 HD1 PHE 40 1HD PHE 40 -2.744 0.024 -2.719 260 HD2 PHE 40 2HD PHE 40 -1.173 0.890 1.141 261 HE1 PHE 40 1HE PHE 40 -1.977 2.219 -3.527 262 HE2 PHE 40 2HE PHE 40 -0.405 3.086 0.340 263 HZ PHE 40 HZ PHE 40 -0.807 3.753 -1.997 264 H CYS 41 H CYS 41 -4.298 -2.946 -1.594 265 HA CYS 41 HA CYS 41 -5.684 -4.757 0.164 266 HB2 CYS 41 1HB CYS 41 -5.767 -6.244 -1.791 267 HB3 CYS 41 2HB CYS 41 -6.301 -4.617 -2.202 268 H SER 42 H SER 42 -4.841 -7.221 -0.323 269 HA SER 42 HA SER 42 -2.321 -7.329 1.097 270 HB2 SER 42 1HB SER 42 -4.228 -8.790 1.735 271 HB3 SER 42 2HB SER 42 -4.102 -9.597 0.172 272 HG SER 42 HG SER 42 -2.939 -10.455 2.186 273 H ARG 43 H ARG 43 -2.826 -6.741 -1.949 274 HA ARG 43 HA ARG 43 -0.726 -8.566 -2.923 275 HB2 ARG 43 1HB ARG 43 -3.089 -7.361 -4.352 276 HB3 ARG 43 2HB ARG 43 -1.708 -8.016 -5.221 277 HG2 ARG 43 1HG ARG 43 -2.155 -10.142 -3.795 278 HG3 ARG 43 2HG ARG 43 -3.757 -9.433 -3.581 279 HD2 ARG 43 1HD ARG 43 -4.142 -10.648 -5.469 280 HD3 ARG 43 2HD ARG 43 -3.577 -9.150 -6.207 281 HE ARG 43 HE ARG 43 -1.512 -11.097 -5.673 282 HH11 ARG 43 2HH1 ARG 43 -3.838 -9.886 -7.963 283 HH12 ARG 43 1HH1 ARG 43 -3.010 -10.530 -9.342 284 HH21 ARG 43 2HH2 ARG 43 -0.413 -11.950 -7.481 285 HH22 ARG 43 1HH2 ARG 43 -1.063 -11.705 -9.066 286 H CYS 44 H CYS 44 -1.814 -5.291 -2.589 287 HA CYS 44 HA CYS 44 0.336 -4.248 -4.256 288 HB2 CYS 44 1HB CYS 44 -1.966 -2.970 -2.790 289 HB3 CYS 44 2HB CYS 44 -0.676 -2.012 -3.507 290 H CYS 45 H CYS 45 -0.591 -4.471 -0.873 291 HA CYS 45 HA CYS 45 1.764 -2.971 -0.041 292 HB2 CYS 45 1HB CYS 45 -0.441 -2.621 1.078 293 HB3 CYS 45 2HB CYS 45 -0.361 -4.276 1.669 294 HG CYS 45 HG CYS 45 2.432 -2.903 2.545 295 H SER 46 H SER 46 2.225 -5.434 -1.391 296 HA SER 46 HA SER 46 3.266 -7.124 0.785 297 HB2 SER 46 1HB SER 46 1.600 -7.989 -1.085 298 HB3 SER 46 2HB SER 46 3.085 -8.123 -2.027 299 HG SER 46 HG SER 46 2.487 -9.367 0.450 300 H PHE 47 H PHE 47 4.643 -4.802 0.025 301 HA PHE 47 HA PHE 47 7.003 -5.940 -1.326 302 HB2 PHE 47 1HB PHE 47 5.912 -3.125 -1.393 303 HB3 PHE 47 2HB PHE 47 7.540 -3.532 -1.925 304 HD1 PHE 47 1HD PHE 47 3.967 -3.863 -2.647 305 HD2 PHE 47 2HD PHE 47 7.917 -4.726 -3.978 306 HE1 PHE 47 1HE PHE 47 3.088 -4.435 -4.873 307 HE2 PHE 47 2HE PHE 47 7.045 -5.298 -6.206 308 HZ PHE 47 HZ PHE 47 4.628 -5.153 -6.656 309 H LYS 48 H LYS 48 8.747 -6.125 -0.097 310 HA LYS 48 HA LYS 48 8.810 -4.796 2.499 311 HB2 LYS 48 1HB LYS 48 10.390 -7.051 1.279 312 HB3 LYS 48 2HB LYS 48 10.881 -6.289 2.786 313 HG2 LYS 48 1HG LYS 48 8.784 -6.916 3.822 314 HG3 LYS 48 2HG LYS 48 8.221 -7.614 2.301 315 HD2 LYS 48 1HD LYS 48 8.985 -9.500 3.357 316 HD3 LYS 48 2HD LYS 48 10.449 -9.006 2.503 317 HE2 LYS 48 1HE LYS 48 11.045 -7.723 4.627 318 HE3 LYS 48 2HE LYS 48 9.760 -8.644 5.407 319 HZ1 LYS 48 1HZ LYS 48 10.892 -10.681 4.827 320 HZ2 LYS 48 2HZ LYS 48 11.938 -9.676 5.695 321 HZ3 LYS 48 3HZ LYS 48 12.106 -9.824 4.018 322 H VAL 49 H VAL 49 10.042 -3.084 2.930 323 HA VAL 49 HA VAL 49 12.446 -2.573 1.360 324 HB VAL 49 HB VAL 49 11.847 -0.239 0.927 325 HG11 VAL 49 1HG1 VAL 49 10.099 -0.653 -0.801 326 HG12 VAL 49 2HG1 VAL 49 11.443 -1.796 -0.849 327 HG13 VAL 49 3HG1 VAL 49 9.899 -2.276 -0.142 328 HG21 VAL 49 1HG2 VAL 49 9.076 -0.947 1.880 329 HG22 VAL 49 2HG2 VAL 49 10.249 -0.040 2.835 330 HG23 VAL 49 3HG2 VAL 49 9.646 0.625 1.317 331 HA PRO 50 HA PRO 50 14.032 -1.285 5.253 332 HB2 PRO 50 1HB PRO 50 16.034 0.351 4.426 333 HB3 PRO 50 2HB PRO 50 16.114 -1.409 4.287 334 HG2 PRO 50 1HG PRO 50 15.413 0.624 2.205 335 HG3 PRO 50 2HG PRO 50 16.442 -0.813 2.064 336 HD2 PRO 50 1HD PRO 50 13.880 -0.764 1.190 337 HD3 PRO 50 2HD PRO 50 14.642 -2.233 1.832 338 H LYS 51 H LYS 51 13.809 0.342 6.727 339 HA LYS 51 HA LYS 51 12.337 2.699 5.846 340 HB2 LYS 51 1HB LYS 51 12.055 3.077 8.322 341 HB3 LYS 51 2HB LYS 51 11.352 1.587 7.708 342 HG2 LYS 51 1HG LYS 51 13.136 0.287 8.601 343 HG3 LYS 51 2HG LYS 51 14.055 1.735 9.018 344 HD2 LYS 51 1HD LYS 51 13.093 0.999 11.039 345 HD3 LYS 51 2HD LYS 51 12.099 2.361 10.516 346 HE2 LYS 51 1HE LYS 51 10.499 0.746 9.525 347 HE3 LYS 51 2HE LYS 51 11.467 -0.570 10.187 348 HZ1 LYS 51 1HZ LYS 51 11.034 1.026 12.333 349 HZ2 LYS 51 2HZ LYS 51 10.160 -0.374 11.964 350 HZ3 LYS 51 3HZ LYS 51 9.568 1.140 11.496 351 H SER 52 H SER 52 15.454 1.790 7.073 352 HA SER 52 HA SER 52 16.406 4.142 8.148 353 HB2 SER 52 1HB SER 52 18.626 3.347 7.645 354 HB3 SER 52 2HB SER 52 17.629 1.952 8.055 355 HG SER 52 HG SER 52 18.517 2.797 5.509 356 H SER 53 H SER 53 16.122 3.226 4.754 357 HA SER 53 HA SER 53 17.056 5.905 3.980 358 HB2 SER 53 1HB SER 53 17.518 4.998 1.791 359 HB3 SER 53 2HB SER 53 18.235 3.926 2.993 360 HG SER 53 HG SER 53 15.933 3.539 1.416 361 H MET 54 H MET 54 14.485 5.667 5.045 362 HA MET 54 HA MET 54 12.719 5.833 2.706 363 HB2 MET 54 1HB MET 54 12.098 4.319 4.611 364 HB3 MET 54 2HB MET 54 11.934 5.749 5.622 365 HG2 MET 54 1HG MET 54 10.245 6.587 3.948 366 HG3 MET 54 2HG MET 54 10.291 4.978 3.232 367 HE1 MET 54 1HE MET 54 8.518 2.714 5.665 368 HE2 MET 54 2HE MET 54 8.601 3.149 3.958 369 HE3 MET 54 3HE MET 54 10.081 2.804 4.853 370 H GLY 55 H GLY 55 13.637 7.595 5.649 371 HA2 GLY 55 1HA GLY 55 13.386 10.119 4.338 372 HA3 GLY 55 2HA GLY 55 12.035 9.825 5.423 373 H ALA 56 H ALA 56 13.471 8.393 7.418 374 HA ALA 56 HA ALA 56 15.287 10.481 8.432 375 HB1 ALA 56 1HB ALA 56 13.149 10.660 9.571 376 HB2 ALA 56 2HB ALA 56 13.222 8.954 10.014 377 HB3 ALA 56 3HB ALA 56 14.394 10.090 10.683 378 H THR 57 H THR 57 17.257 9.733 8.809 379 HA THR 57 HA THR 57 17.702 6.862 9.012 380 HB THR 57 HB THR 57 20.127 7.483 8.905 381 HG1 THR 57 1HG THR 57 20.341 9.532 9.547 382 HG21 THR 57 1HG2 THR 57 18.142 7.643 6.860 383 HG22 THR 57 2HG2 THR 57 19.827 7.138 6.726 384 HG23 THR 57 3HG2 THR 57 19.397 8.836 6.527 385 H ALA 58 H ALA 58 18.254 5.816 10.828 386 HA ALA 58 HA ALA 58 19.216 7.330 13.137 387 HB1 ALA 58 1HB ALA 58 17.530 5.718 14.445 388 HB2 ALA 58 2HB ALA 58 17.090 7.342 13.916 389 HB3 ALA 58 3HB ALA 58 16.612 5.941 12.956 390 HA PRO 59 HA PRO 59 21.887 3.876 13.644 391 HB2 PRO 59 1HB PRO 59 22.401 4.057 16.304 392 HB3 PRO 59 2HB PRO 59 23.071 5.183 15.117 393 HG2 PRO 59 1HG PRO 59 20.707 5.519 16.923 394 HG3 PRO 59 2HG PRO 59 21.989 6.679 16.530 395 HD2 PRO 59 1HD PRO 59 19.543 6.762 15.370 396 HD3 PRO 59 2HD PRO 59 21.020 7.260 14.521 397 H GLU 60 H GLU 60 18.776 3.952 14.828 398 HA GLU 60 HA GLU 60 18.946 1.460 16.324 399 HB2 GLU 60 1HB GLU 60 16.653 3.326 15.712 400 HB3 GLU 60 2HB GLU 60 16.454 1.805 16.572 401 HG2 GLU 60 1HG GLU 60 17.652 2.551 18.422 402 HG3 GLU 60 2HG GLU 60 18.393 3.875 17.525 403 H ALA 61 H ALA 61 16.953 2.641 13.607 404 HA ALA 61 HA ALA 61 16.502 -0.095 12.735 405 HB1 ALA 61 1HB ALA 61 14.530 1.029 12.502 406 HB2 ALA 61 2HB ALA 61 15.317 2.554 12.091 407 HB3 ALA 61 3HB ALA 61 15.199 1.270 10.888 408 H GLN 62 H GLN 62 18.238 -0.942 11.726 409 HA GLN 62 HA GLN 62 19.380 0.593 9.485 410 HB2 GLN 62 1HB GLN 62 20.736 -1.363 11.345 411 HB3 GLN 62 2HB GLN 62 21.468 -0.752 9.867 412 HG2 GLN 62 1HG GLN 62 20.462 1.160 11.923 413 HG3 GLN 62 2HG GLN 62 22.014 0.354 12.149 414 HE21 GLN 62 1HE2 GLN 62 21.555 3.156 11.807 415 HE22 GLN 62 2HE2 GLN 62 22.385 3.637 10.371 416 H ARG 63 H ARG 63 19.037 -2.756 10.669 417 HA ARG 63 HA ARG 63 18.764 -3.638 7.881 418 HB2 ARG 63 1HB ARG 63 20.510 -4.663 9.435 419 HB3 ARG 63 2HB ARG 63 19.165 -5.410 10.286 420 HG2 ARG 63 1HG ARG 63 19.778 -7.086 8.851 421 HG3 ARG 63 2HG ARG 63 18.519 -6.280 7.913 422 HD2 ARG 63 1HD ARG 63 20.191 -6.493 6.345 423 HD3 ARG 63 2HD ARG 63 20.506 -4.877 6.977 424 HE ARG 63 HE ARG 63 22.483 -5.639 7.853 425 HH11 ARG 63 2HH1 ARG 63 20.504 -8.354 6.942 426 HH12 ARG 63 1HH1 ARG 63 21.759 -9.521 7.197 427 HH21 ARG 63 2HH2 ARG 63 24.144 -7.166 8.192 428 HH22 ARG 63 1HH2 ARG 63 23.829 -8.844 7.908 429 H GLU 64 H GLU 64 16.569 -2.342 8.983 430 HA GLU 64 HA GLU 64 14.702 -4.460 9.756 431 HB2 GLU 64 1HB GLU 64 14.929 -2.100 10.881 432 HB3 GLU 64 2HB GLU 64 13.935 -1.575 9.530 433 HG2 GLU 64 1HG GLU 64 12.408 -2.004 11.224 434 HG3 GLU 64 2HG GLU 64 12.335 -3.444 10.210 435 H THR 65 H THR 65 12.656 -4.676 8.687 436 HA THR 65 HA THR 65 12.599 -3.643 5.933 437 HB THR 65 HB THR 65 11.602 -5.870 5.249 438 HG1 THR 65 1HG THR 65 11.187 -7.077 6.958 439 HG21 THR 65 1HG2 THR 65 14.428 -6.164 6.232 440 HG22 THR 65 2HG2 THR 65 14.015 -5.089 4.896 441 HG23 THR 65 3HG2 THR 65 13.698 -6.818 4.767 442 H VAL 66 H VAL 66 10.809 -2.511 5.617 443 HA VAL 66 HA VAL 66 8.410 -3.186 7.186 444 HB VAL 66 HB VAL 66 7.652 -0.885 6.762 445 HG11 VAL 66 1HG1 VAL 66 9.462 -1.708 8.596 446 HG12 VAL 66 2HG1 VAL 66 10.343 -0.381 7.836 447 HG13 VAL 66 3HG1 VAL 66 8.758 -0.092 8.555 448 HG21 VAL 66 1HG2 VAL 66 8.649 0.545 5.350 449 HG22 VAL 66 2HG2 VAL 66 10.270 0.080 5.868 450 HG23 VAL 66 3HG2 VAL 66 9.410 -0.897 4.678 451 H PHE 67 H PHE 67 6.319 -2.798 6.105 452 HA PHE 67 HA PHE 67 6.437 -3.755 3.340 453 HB2 PHE 67 1HB PHE 67 4.385 -3.903 5.516 454 HB3 PHE 67 2HB PHE 67 3.875 -4.049 3.837 455 HD1 PHE 67 2HD PHE 67 5.145 -5.805 2.410 456 HD2 PHE 67 1HD PHE 67 5.088 -5.773 6.666 457 HE1 PHE 67 2HE PHE 67 5.756 -8.188 2.432 458 HE2 PHE 67 1HE PHE 67 5.700 -8.157 6.695 459 HZ PHE 67 HZ PHE 67 6.033 -9.367 4.577 460 H VAL 68 H VAL 68 5.749 -2.577 1.654 461 HA VAL 68 HA VAL 68 4.217 -0.124 2.173 462 HB VAL 68 HB VAL 68 5.577 1.108 0.535 463 HG11 VAL 68 1HG1 VAL 68 7.798 0.915 2.010 464 HG12 VAL 68 2HG1 VAL 68 6.335 1.717 2.584 465 HG13 VAL 68 3HG1 VAL 68 6.681 0.057 3.071 466 HG21 VAL 68 1HG2 VAL 68 6.754 -1.527 0.153 467 HG22 VAL 68 2HG2 VAL 68 6.760 -0.120 -0.911 468 HG23 VAL 68 3HG2 VAL 68 7.961 -0.260 0.373 469 H CYS 69 H CYS 69 3.374 0.825 0.072 470 HA CYS 69 HA CYS 69 2.144 -1.327 -1.441 471 HB2 CYS 69 1HB CYS 69 0.615 0.318 -2.257 472 HB3 CYS 69 2HB CYS 69 0.846 0.638 -0.541 473 H ALA 70 H ALA 70 2.379 -1.692 -3.611 474 HA ALA 70 HA ALA 70 4.713 -1.495 -4.900 475 HB1 ALA 70 1HB ALA 70 2.065 -1.100 -6.288 476 HB2 ALA 70 2HB ALA 70 3.555 -1.707 -7.010 477 HB3 ALA 70 3HB ALA 70 2.721 -2.656 -5.779 478 H SER 71 H SER 71 2.139 0.940 -5.348 479 HA SER 71 HA SER 71 3.318 2.727 -6.984 480 HB2 SER 71 1HB SER 71 1.526 3.083 -4.619 481 HB3 SER 71 2HB SER 71 2.210 4.520 -5.379 482 HG SER 71 HG SER 71 0.819 2.495 -6.795 483 H CYS 72 H CYS 72 3.980 2.387 -3.526 484 HA CYS 72 HA CYS 72 5.931 4.517 -3.547 485 HB2 CYS 72 1HB CYS 72 5.052 2.541 -1.442 486 HB3 CYS 72 2HB CYS 72 6.352 3.697 -1.176 487 H ASN 73 H ASN 73 6.091 1.024 -2.827 488 HA ASN 73 HA ASN 73 8.724 0.586 -2.562 489 HB2 ASN 73 1HB ASN 73 7.116 -1.236 -2.526 490 HB3 ASN 73 2HB ASN 73 6.834 -1.062 -4.256 491 HD21 ASN 73 1HD2 ASN 73 8.512 -1.634 -5.706 492 HD22 ASN 73 2HD2 ASN 73 9.740 -2.755 -5.235 493 H GLN 74 H GLN 74 7.087 1.247 -5.614 494 HA GLN 74 HA GLN 74 9.361 0.808 -7.264 495 HB2 GLN 74 1HB GLN 74 6.748 2.242 -7.688 496 HB3 GLN 74 2HB GLN 74 7.991 2.190 -8.930 497 HG2 GLN 74 1HG GLN 74 7.898 -0.273 -8.875 498 HG3 GLN 74 2HG GLN 74 6.587 -0.171 -7.701 499 HE21 GLN 74 1HE2 GLN 74 4.682 1.121 -8.410 500 HE22 GLN 74 2HE2 GLN 74 4.187 0.973 -10.058 501 H THR 75 H THR 75 7.885 3.712 -5.865 502 HA THR 75 HA THR 75 9.665 5.563 -7.040 503 HB THR 75 HB THR 75 8.127 5.860 -4.453 504 HG1 THR 75 1HG THR 75 6.561 6.850 -5.829 505 HG21 THR 75 1HG2 THR 75 8.214 8.326 -5.334 506 HG22 THR 75 2HG2 THR 75 9.642 7.755 -6.197 507 HG23 THR 75 3HG2 THR 75 9.576 7.656 -4.438 508 H LEU 76 H LEU 76 9.700 3.852 -3.943 509 HA LEU 76 HA LEU 76 11.952 5.162 -2.862 510 HB2 LEU 76 1HB LEU 76 10.894 2.391 -2.322 511 HB3 LEU 76 2HB LEU 76 12.079 3.240 -1.331 512 HG LEU 76 HG LEU 76 9.250 4.186 -1.776 513 HD11 LEU 76 1HD1 LEU 76 10.456 2.393 0.283 514 HD12 LEU 76 2HD1 LEU 76 8.902 2.274 -0.541 515 HD13 LEU 76 3HD1 LEU 76 9.137 3.478 0.725 516 HD21 LEU 76 1HD2 LEU 76 11.135 5.009 0.406 517 HD22 LEU 76 2HD2 LEU 76 9.674 5.817 -0.163 518 HD23 LEU 76 3HD2 LEU 76 11.130 5.821 -1.160 519 H SER 77 H SER 77 11.641 2.061 -4.578 520 HA SER 77 HA SER 77 14.242 1.191 -4.507 521 HB2 SER 77 1HB SER 77 12.284 -0.017 -5.529 522 HB3 SER 77 2HB SER 77 12.470 1.007 -6.953 523 HG SER 77 HG SER 77 14.311 0.010 -7.457 524 H LYS 78 H LYS 78 12.848 3.064 -7.208 525 HA LYS 78 HA LYS 78 15.493 3.755 -8.153 526 HB2 LYS 78 1HB LYS 78 14.368 4.790 -10.018 527 HB3 LYS 78 2HB LYS 78 13.630 3.223 -9.712 528 HG2 LYS 78 1HG LYS 78 11.752 4.462 -9.983 529 HG3 LYS 78 2HG LYS 78 11.986 4.696 -8.249 530 HD2 LYS 78 1HD LYS 78 11.594 6.851 -9.068 531 HD3 LYS 78 2HD LYS 78 13.350 6.766 -8.912 532 HE2 LYS 78 1HE LYS 78 13.483 6.190 -11.321 533 HE3 LYS 78 2HE LYS 78 11.739 6.421 -11.439 534 HZ1 LYS 78 1HZ LYS 78 11.940 8.647 -11.363 535 HZ2 LYS 78 2HZ LYS 78 13.507 8.342 -11.921 536 HZ3 LYS 78 3HZ LYS 78 13.236 8.622 -10.275 537 H SER 79 H SER 79 16.275 5.896 -8.396 538 HA SER 79 HA SER 79 15.244 7.725 -6.343 539 HB2 SER 79 1HB SER 79 17.464 8.791 -6.438 540 HB3 SER 79 2HB SER 79 17.594 7.067 -6.089 541 HG SER 79 HG SER 79 17.677 7.804 -8.765 542 H GLY 80 H GLY 80 15.414 10.074 -6.831 543 HA2 GLY 80 1HA GLY 80 15.732 11.236 -9.295 544 HA3 GLY 80 2HA GLY 80 14.080 10.636 -9.303 545 HA PRO 81 HA PRO 81 12.887 14.455 -7.476 546 HB2 PRO 81 1HB PRO 81 10.452 13.714 -6.531 547 HB3 PRO 81 2HB PRO 81 10.774 13.987 -8.247 548 HG2 PRO 81 1HG PRO 81 10.648 11.409 -6.730 549 HG3 PRO 81 2HG PRO 81 9.982 11.802 -8.326 550 HD2 PRO 81 1HD PRO 81 12.298 10.434 -8.010 551 HD3 PRO 81 2HD PRO 81 12.013 11.526 -9.381 552 H SER 82 H SER 82 12.230 15.383 -5.396 553 HA SER 82 HA SER 82 13.683 14.204 -3.236 554 HB2 SER 82 1HB SER 82 12.174 16.731 -3.681 555 HB3 SER 82 2HB SER 82 12.410 16.214 -2.011 556 HG SER 82 HG SER 82 14.095 17.594 -2.996 557 H SER 83 H SER 83 12.922 12.540 -2.117 558 HA SER 83 HA SER 83 10.424 11.482 -2.046 559 HB2 SER 83 1HB SER 83 12.435 10.454 -1.006 560 HB3 SER 83 2HB SER 83 12.290 11.587 0.337 561 HG SER 83 HG SER 83 11.236 9.788 0.995 562 H GLY 84 H GLY 84 8.499 12.238 -1.490 563 HA2 GLY 84 1HA GLY 84 8.101 13.652 0.987 564 HA3 GLY 84 2HA GLY 84 7.887 14.670 -0.429 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.318 30.539 -21.523 2 HA2 GLY 1 1HA GLY 1 3.790 27.717 -22.185 3 HA3 GLY 1 2HA GLY 1 4.949 28.803 -21.434 4 H SER 2 H SER 2 5.330 27.182 -19.838 5 HA SER 2 HA SER 2 3.136 26.535 -18.037 6 HB2 SER 2 1HB SER 2 5.081 24.954 -18.869 7 HB3 SER 2 2HB SER 2 5.957 25.681 -17.522 8 HG SER 2 HG SER 2 3.572 24.164 -17.461 9 H SER 3 H SER 3 2.633 28.154 -16.689 10 HA SER 3 HA SER 3 4.770 29.199 -14.973 11 HB2 SER 3 1HB SER 3 3.800 31.471 -15.111 12 HB3 SER 3 2HB SER 3 4.389 30.911 -16.676 13 HG SER 3 HG SER 3 1.938 30.132 -16.639 14 H GLY 4 H GLY 4 4.233 28.452 -13.024 15 HA2 GLY 4 1HA GLY 4 2.981 28.627 -11.031 16 HA3 GLY 4 2HA GLY 4 1.579 29.099 -11.981 17 H SER 5 H SER 5 2.056 26.987 -9.879 18 HA SER 5 HA SER 5 2.122 24.421 -10.726 19 HB2 SER 5 1HB SER 5 0.260 25.666 -8.697 20 HB3 SER 5 2HB SER 5 0.403 23.923 -8.927 21 HG SER 5 HG SER 5 2.454 25.726 -8.154 22 H SER 6 H SER 6 0.467 22.840 -11.252 23 HA SER 6 HA SER 6 -1.106 23.630 -13.454 24 HB2 SER 6 1HB SER 6 -0.821 21.108 -11.863 25 HB3 SER 6 2HB SER 6 -2.146 21.251 -13.018 26 HG SER 6 HG SER 6 -0.742 20.818 -14.504 27 H GLY 7 H GLY 7 -2.048 22.609 -10.170 28 HA2 GLY 7 1HA GLY 7 -3.784 24.075 -9.127 29 HA3 GLY 7 2HA GLY 7 -4.659 23.911 -10.642 30 H ARG 8 H ARG 8 -4.903 21.454 -11.274 31 HA ARG 8 HA ARG 8 -6.708 20.311 -9.516 32 HB2 ARG 8 1HB ARG 8 -6.628 19.680 -11.856 33 HB3 ARG 8 2HB ARG 8 -5.029 18.979 -11.646 34 HG2 ARG 8 1HG ARG 8 -6.051 17.351 -10.042 35 HG3 ARG 8 2HG ARG 8 -7.630 17.979 -10.519 36 HD2 ARG 8 1HD ARG 8 -5.615 16.865 -12.462 37 HD3 ARG 8 2HD ARG 8 -6.894 15.902 -11.723 38 HE ARG 8 HE ARG 8 -7.172 17.819 -13.847 39 HH11 ARG 8 2HH1 ARG 8 -8.797 16.152 -11.258 40 HH12 ARG 8 1HH1 ARG 8 -10.371 16.325 -11.959 41 HH21 ARG 8 2HH2 ARG 8 -9.240 18.054 -14.781 42 HH22 ARG 8 1HH2 ARG 8 -10.622 17.406 -13.964 43 H TYR 9 H TYR 9 -6.497 19.300 -7.637 44 HA TYR 9 HA TYR 9 -3.839 18.373 -6.824 45 HB2 TYR 9 1HB TYR 9 -4.908 18.275 -4.532 46 HB3 TYR 9 2HB TYR 9 -4.783 19.881 -5.242 47 HD1 TYR 9 1HD TYR 9 -6.863 20.828 -6.398 48 HD2 TYR 9 2HD TYR 9 -6.975 17.458 -3.804 49 HE1 TYR 9 1HE TYR 9 -9.279 21.163 -6.079 50 HE2 TYR 9 2HE TYR 9 -9.391 17.782 -3.478 51 HH TYR 9 HH TYR 9 -11.169 20.263 -5.258 52 HA PRO 10 HA PRO 10 -4.946 14.133 -7.236 53 HB2 PRO 10 1HB PRO 10 -3.181 13.056 -5.477 54 HB3 PRO 10 2HB PRO 10 -2.699 13.687 -7.056 55 HG2 PRO 10 1HG PRO 10 -2.523 14.985 -4.364 56 HG3 PRO 10 2HG PRO 10 -1.330 14.962 -5.676 57 HD2 PRO 10 1HD PRO 10 -2.946 17.085 -5.214 58 HD3 PRO 10 2HD PRO 10 -2.392 16.643 -6.842 59 H THR 11 H THR 11 -6.731 13.235 -6.440 60 HA THR 11 HA THR 11 -7.005 12.934 -3.538 61 HB THR 11 HB THR 11 -9.438 13.492 -3.709 62 HG1 THR 11 1HG THR 11 -8.984 13.455 -6.269 63 HG21 THR 11 1HG2 THR 11 -8.408 16.039 -4.546 64 HG22 THR 11 2HG2 THR 11 -7.224 15.217 -3.530 65 HG23 THR 11 3HG2 THR 11 -8.858 15.497 -2.930 66 H ASN 12 H ASN 12 -8.163 11.125 -2.875 67 HA ASN 12 HA ASN 12 -9.304 9.381 -4.918 68 HB2 ASN 12 1HB ASN 12 -6.814 8.848 -4.504 69 HB3 ASN 12 2HB ASN 12 -7.344 8.238 -2.939 70 HD21 ASN 12 1HD2 ASN 12 -9.152 6.636 -3.036 71 HD22 ASN 12 2HD2 ASN 12 -9.097 5.462 -4.302 72 H ASN 13 H ASN 13 -10.894 8.010 -4.168 73 HA ASN 13 HA ASN 13 -12.006 8.698 -1.588 74 HB2 ASN 13 1HB ASN 13 -12.959 7.037 -3.911 75 HB3 ASN 13 2HB ASN 13 -13.810 7.021 -2.369 76 HD21 ASN 13 1HD2 ASN 13 -15.150 7.827 -4.545 77 HD22 ASN 13 2HD2 ASN 13 -15.415 9.534 -4.506 78 H PHE 14 H PHE 14 -12.862 6.932 -0.168 79 HA PHE 14 HA PHE 14 -10.766 4.921 0.202 80 HB2 PHE 14 1HB PHE 14 -11.906 4.650 2.474 81 HB3 PHE 14 2HB PHE 14 -11.082 6.177 2.178 82 HD1 PHE 14 1HD PHE 14 -14.422 4.568 2.124 83 HD2 PHE 14 2HD PHE 14 -12.217 8.199 2.387 84 HE1 PHE 14 1HE PHE 14 -16.493 5.783 2.663 85 HE2 PHE 14 2HE PHE 14 -14.284 9.419 2.927 86 HZ PHE 14 HZ PHE 14 -16.426 8.211 3.067 87 H GLY 15 H GLY 15 -11.746 2.871 1.408 88 HA2 GLY 15 1HA GLY 15 -13.514 1.258 1.457 89 HA3 GLY 15 2HA GLY 15 -14.193 2.011 0.022 90 H ASN 16 H ASN 16 -11.768 2.152 -1.478 91 HA ASN 16 HA ASN 16 -11.244 -0.713 -1.931 92 HB2 ASN 16 1HB ASN 16 -11.125 1.254 -4.184 93 HB3 ASN 16 2HB ASN 16 -11.466 -0.473 -4.226 94 HD21 ASN 16 1HD2 ASN 16 -13.483 -0.821 -2.533 95 HD22 ASN 16 2HD2 ASN 16 -14.872 0.088 -3.015 96 H CYS 17 H CYS 17 -9.172 -1.264 -2.762 97 HA CYS 17 HA CYS 17 -7.009 -0.109 -1.542 98 HB2 CYS 17 1HB CYS 17 -6.924 -2.320 -2.581 99 HB3 CYS 17 2HB CYS 17 -7.040 -1.590 -4.180 100 H THR 18 H THR 18 -5.336 1.280 -2.192 101 HA THR 18 HA THR 18 -6.194 3.324 -4.098 102 HB THR 18 HB THR 18 -3.803 3.451 -2.259 103 HG1 THR 18 1HG THR 18 -5.123 3.931 -0.670 104 HG21 THR 18 1HG2 THR 18 -3.543 5.193 -3.742 105 HG22 THR 18 2HG2 THR 18 -4.529 5.967 -2.501 106 HG23 THR 18 3HG2 THR 18 -5.278 5.385 -3.988 107 H GLY 19 H GLY 19 -4.986 0.632 -4.792 108 HA2 GLY 19 1HA GLY 19 -2.841 1.703 -6.513 109 HA3 GLY 19 2HA GLY 19 -2.652 0.168 -5.679 110 H CYS 20 H CYS 20 -4.812 -1.238 -6.063 111 HA CYS 20 HA CYS 20 -5.029 -1.435 -8.987 112 HB2 CYS 20 1HB CYS 20 -5.715 -3.783 -8.571 113 HB3 CYS 20 2HB CYS 20 -4.113 -3.421 -7.939 114 H SER 21 H SER 21 -6.713 -0.243 -6.434 115 HA SER 21 HA SER 21 -8.877 0.360 -6.075 116 HB2 SER 21 1HB SER 21 -9.074 -0.148 -9.053 117 HB3 SER 21 2HB SER 21 -10.308 0.664 -8.090 118 HG SER 21 HG SER 21 -8.274 2.008 -7.477 119 H ALA 22 H ALA 22 -8.232 -2.297 -5.495 120 HA ALA 22 HA ALA 22 -10.593 -3.817 -6.358 121 HB1 ALA 22 1HB ALA 22 -9.362 -5.772 -5.364 122 HB2 ALA 22 2HB ALA 22 -8.593 -5.027 -6.766 123 HB3 ALA 22 3HB ALA 22 -7.982 -4.694 -5.145 124 H THR 23 H THR 23 -12.253 -3.342 -5.037 125 HA THR 23 HA THR 23 -12.323 -2.412 -2.502 126 HB THR 23 HB THR 23 -14.204 -4.608 -3.359 127 HG1 THR 23 1HG THR 23 -14.457 -1.850 -4.011 128 HG21 THR 23 1HG2 THR 23 -14.110 -2.700 -1.198 129 HG22 THR 23 2HG2 THR 23 -15.225 -4.042 -1.458 130 HG23 THR 23 3HG2 THR 23 -15.558 -2.466 -2.175 131 H PHE 24 H PHE 24 -12.426 -3.271 -0.406 132 HA PHE 24 HA PHE 24 -10.836 -5.679 -0.051 133 HB2 PHE 24 1HB PHE 24 -11.912 -3.779 2.042 134 HB3 PHE 24 2HB PHE 24 -10.682 -5.016 2.281 135 HD1 PHE 24 1HD PHE 24 -8.491 -4.781 1.031 136 HD2 PHE 24 2HD PHE 24 -11.330 -1.627 1.359 137 HE1 PHE 24 1HE PHE 24 -6.738 -3.149 0.469 138 HE2 PHE 24 2HE PHE 24 -9.581 0.010 0.797 139 HZ PHE 24 HZ PHE 24 -7.282 -0.750 0.351 140 H SER 25 H SER 25 -12.140 -7.413 -0.472 141 HA SER 25 HA SER 25 -14.799 -7.618 0.593 142 HB2 SER 25 1HB SER 25 -13.790 -8.708 -1.563 143 HB3 SER 25 2HB SER 25 -13.261 -9.973 -0.453 144 HG SER 25 HG SER 25 -15.253 -10.639 -0.270 145 H VAL 26 H VAL 26 -15.148 -10.060 1.568 146 HA VAL 26 HA VAL 26 -14.309 -9.890 4.230 147 HB VAL 26 HB VAL 26 -16.305 -11.150 3.497 148 HG11 VAL 26 1HG1 VAL 26 -15.171 -12.192 1.514 149 HG12 VAL 26 2HG1 VAL 26 -14.398 -13.315 2.635 150 HG13 VAL 26 3HG1 VAL 26 -16.154 -13.293 2.477 151 HG21 VAL 26 1HG2 VAL 26 -14.369 -11.948 5.451 152 HG22 VAL 26 2HG2 VAL 26 -16.129 -12.039 5.526 153 HG23 VAL 26 3HG2 VAL 26 -15.206 -13.370 4.830 154 H LEU 27 H LEU 27 -12.763 -11.244 1.458 155 HA LEU 27 HA LEU 27 -10.788 -12.615 3.146 156 HB2 LEU 27 1HB LEU 27 -10.043 -13.357 0.712 157 HB3 LEU 27 2HB LEU 27 -11.314 -14.188 1.607 158 HG LEU 27 HG LEU 27 -12.989 -12.832 0.350 159 HD11 LEU 27 1HD1 LEU 27 -11.277 -11.033 -0.215 160 HD12 LEU 27 2HD1 LEU 27 -12.390 -11.515 -1.494 161 HD13 LEU 27 3HD1 LEU 27 -10.732 -12.116 -1.496 162 HD21 LEU 27 1HD2 LEU 27 -11.193 -14.373 -1.505 163 HD22 LEU 27 2HD2 LEU 27 -12.948 -14.207 -1.565 164 HD23 LEU 27 3HD2 LEU 27 -12.195 -15.155 -0.282 165 H LYS 28 H LYS 28 -11.006 -9.674 2.632 166 HA LYS 28 HA LYS 28 -8.220 -9.289 1.813 167 HB2 LYS 28 1HB LYS 28 -10.631 -8.123 0.533 168 HB3 LYS 28 2HB LYS 28 -9.268 -7.039 0.782 169 HG2 LYS 28 1HG LYS 28 -7.856 -8.325 -0.585 170 HG3 LYS 28 2HG LYS 28 -8.962 -9.701 -0.569 171 HD2 LYS 28 1HD LYS 28 -10.615 -8.324 -1.803 172 HD3 LYS 28 2HD LYS 28 -9.420 -7.029 -1.896 173 HE2 LYS 28 1HE LYS 28 -8.044 -8.237 -3.331 174 HE3 LYS 28 2HE LYS 28 -8.771 -9.780 -2.886 175 HZ1 LYS 28 1HZ LYS 28 -9.529 -7.944 -4.939 176 HZ2 LYS 28 2HZ LYS 28 -10.835 -8.336 -3.938 177 HZ3 LYS 28 3HZ LYS 28 -9.975 -9.562 -4.725 178 H LYS 29 H LYS 29 -7.326 -8.574 3.640 179 HA LYS 29 HA LYS 29 -8.807 -6.852 5.450 180 HB2 LYS 29 1HB LYS 29 -6.092 -8.158 5.589 181 HB3 LYS 29 2HB LYS 29 -6.651 -7.016 6.804 182 HG2 LYS 29 1HG LYS 29 -8.262 -8.455 7.611 183 HG3 LYS 29 2HG LYS 29 -8.327 -9.387 6.113 184 HD2 LYS 29 1HD LYS 29 -7.227 -10.749 7.716 185 HD3 LYS 29 2HD LYS 29 -5.979 -10.151 6.620 186 HE2 LYS 29 1HE LYS 29 -5.500 -8.344 8.273 187 HE3 LYS 29 2HE LYS 29 -6.630 -9.124 9.379 188 HZ1 LYS 29 1HZ LYS 29 -3.923 -9.735 8.914 189 HZ2 LYS 29 2HZ LYS 29 -4.861 -11.077 8.494 190 HZ3 LYS 29 3HZ LYS 29 -4.980 -10.416 10.046 191 H ARG 30 H ARG 30 -8.817 -4.726 5.200 192 HA ARG 30 HA ARG 30 -7.282 -3.291 3.384 193 HB2 ARG 30 1HB ARG 30 -9.434 -2.670 4.796 194 HB3 ARG 30 2HB ARG 30 -8.244 -1.931 5.859 195 HG2 ARG 30 1HG ARG 30 -7.715 -0.298 4.368 196 HG3 ARG 30 2HG ARG 30 -8.075 -1.308 2.967 197 HD2 ARG 30 1HD ARG 30 -9.827 0.184 2.914 198 HD3 ARG 30 2HD ARG 30 -10.529 -1.144 3.837 199 HE ARG 30 HE ARG 30 -9.273 0.933 5.413 200 HH11 ARG 30 2HH1 ARG 30 -12.210 -0.272 3.983 201 HH12 ARG 30 1HH1 ARG 30 -13.248 0.605 5.058 202 HH21 ARG 30 2HH2 ARG 30 -10.629 2.093 6.834 203 HH22 ARG 30 1HH2 ARG 30 -12.347 1.951 6.679 204 H ARG 31 H ARG 31 -5.099 -3.568 3.480 205 HA ARG 31 HA ARG 31 -3.677 -3.281 5.985 206 HB2 ARG 31 1HB ARG 31 -2.974 -4.071 3.202 207 HB3 ARG 31 2HB ARG 31 -1.691 -3.417 4.211 208 HG2 ARG 31 1HG ARG 31 -1.742 -5.193 5.669 209 HG3 ARG 31 2HG ARG 31 -3.414 -5.602 5.277 210 HD2 ARG 31 1HD ARG 31 -2.814 -6.649 3.280 211 HD3 ARG 31 2HD ARG 31 -1.242 -5.853 3.228 212 HE ARG 31 HE ARG 31 -0.401 -7.582 4.448 213 HH11 ARG 31 2HH1 ARG 31 -3.846 -7.462 4.935 214 HH12 ARG 31 1HH1 ARG 31 -3.893 -8.905 5.893 215 HH21 ARG 31 2HH2 ARG 31 -0.449 -9.483 5.707 216 HH22 ARG 31 1HH2 ARG 31 -1.960 -10.053 6.332 217 H SER 32 H SER 32 -2.050 -1.706 6.377 218 HA SER 32 HA SER 32 -2.488 0.805 4.900 219 HB2 SER 32 1HB SER 32 -1.912 0.263 7.803 220 HB3 SER 32 2HB SER 32 -1.563 1.837 7.090 221 HG SER 32 HG SER 32 -3.594 2.257 7.342 222 H CYS 33 H CYS 33 -0.837 1.555 3.760 223 HA CYS 33 HA CYS 33 1.599 0.285 3.460 224 HB2 CYS 33 1HB CYS 33 0.599 2.005 1.920 225 HB3 CYS 33 2HB CYS 33 1.135 3.244 3.050 226 H SER 34 H SER 34 3.786 1.211 3.921 227 HA SER 34 HA SER 34 3.901 2.010 6.740 228 HB2 SER 34 1HB SER 34 5.746 0.522 4.916 229 HB3 SER 34 2HB SER 34 6.431 1.392 6.288 230 HG SER 34 HG SER 34 4.823 -0.869 6.234 231 H ASN 35 H ASN 35 4.904 2.978 3.527 232 HA ASN 35 HA ASN 35 6.468 5.209 4.505 233 HB2 ASN 35 1HB ASN 35 7.225 4.080 2.494 234 HB3 ASN 35 2HB ASN 35 5.681 4.382 1.704 235 HD21 ASN 35 1HD2 ASN 35 6.012 5.792 0.146 236 HD22 ASN 35 2HD2 ASN 35 6.908 7.263 0.281 237 H CYS 36 H CYS 36 3.919 5.194 2.028 238 HA CYS 36 HA CYS 36 3.151 7.865 2.564 239 HB2 CYS 36 1HB CYS 36 1.435 7.540 0.935 240 HB3 CYS 36 2HB CYS 36 2.839 6.631 0.385 241 H GLY 37 H GLY 37 2.022 4.756 3.715 242 HA2 GLY 37 1HA GLY 37 0.721 4.272 5.561 243 HA3 GLY 37 2HA GLY 37 0.637 5.995 5.899 244 H ASN 38 H ASN 38 -0.349 4.399 2.911 245 HA ASN 38 HA ASN 38 -3.075 5.389 3.387 246 HB2 ASN 38 1HB ASN 38 -1.868 4.525 0.753 247 HB3 ASN 38 2HB ASN 38 -3.380 5.394 1.000 248 HD21 ASN 38 1HD2 ASN 38 -1.194 6.192 -0.645 249 HD22 ASN 38 2HD2 ASN 38 -0.603 7.692 -0.023 250 H SER 39 H SER 39 -4.748 3.998 2.090 251 HA SER 39 HA SER 39 -4.637 1.360 3.252 252 HB2 SER 39 1HB SER 39 -6.939 1.138 2.303 253 HB3 SER 39 2HB SER 39 -6.743 2.553 3.337 254 HG SER 39 HG SER 39 -6.550 3.822 1.472 255 H PHE 40 H PHE 40 -4.582 -0.590 2.182 256 HA PHE 40 HA PHE 40 -4.552 -0.739 -0.689 257 HB2 PHE 40 1HB PHE 40 -2.006 -1.223 0.869 258 HB3 PHE 40 2HB PHE 40 -2.252 -1.723 -0.801 259 HD1 PHE 40 1HD PHE 40 -2.810 0.100 -2.505 260 HD2 PHE 40 2HD PHE 40 -1.217 0.903 1.360 261 HE1 PHE 40 1HE PHE 40 -2.056 2.310 -3.279 262 HE2 PHE 40 2HE PHE 40 -0.461 3.115 0.592 263 HZ PHE 40 HZ PHE 40 -0.881 3.822 -1.729 264 H CYS 41 H CYS 41 -4.213 -2.996 -1.447 265 HA CYS 41 HA CYS 41 -5.642 -4.806 0.278 266 HB2 CYS 41 1HB CYS 41 -5.545 -6.348 -1.649 267 HB3 CYS 41 2HB CYS 41 -6.157 -4.761 -2.102 268 H SER 42 H SER 42 -4.707 -7.254 -0.102 269 HA SER 42 HA SER 42 -2.270 -7.261 1.458 270 HB2 SER 42 1HB SER 42 -3.895 -9.614 0.466 271 HB3 SER 42 2HB SER 42 -2.668 -9.639 1.732 272 HG SER 42 HG SER 42 -4.092 -8.925 3.102 273 H ARG 43 H ARG 43 -2.830 -6.993 -1.731 274 HA ARG 43 HA ARG 43 -0.530 -8.662 -2.499 275 HB2 ARG 43 1HB ARG 43 -2.968 -7.749 -3.976 276 HB3 ARG 43 2HB ARG 43 -1.499 -8.101 -4.875 277 HG2 ARG 43 1HG ARG 43 -2.462 -10.145 -4.971 278 HG3 ARG 43 2HG ARG 43 -1.609 -10.328 -3.437 279 HD2 ARG 43 1HD ARG 43 -3.800 -11.103 -3.044 280 HD3 ARG 43 2HD ARG 43 -3.726 -9.497 -2.321 281 HE ARG 43 HE ARG 43 -4.722 -8.885 -4.684 282 HH11 ARG 43 2HH1 ARG 43 -5.519 -11.546 -2.586 283 HH12 ARG 43 1HH1 ARG 43 -7.163 -11.647 -3.123 284 HH21 ARG 43 2HH2 ARG 43 -6.884 -9.007 -5.399 285 HH22 ARG 43 1HH2 ARG 43 -7.938 -10.203 -4.724 286 H CYS 44 H CYS 44 -1.684 -5.448 -2.181 287 HA CYS 44 HA CYS 44 0.437 -4.357 -3.873 288 HB2 CYS 44 1HB CYS 44 -1.978 -3.159 -2.534 289 HB3 CYS 44 2HB CYS 44 -0.694 -2.143 -3.181 290 H CYS 45 H CYS 45 -0.609 -4.475 -0.512 291 HA CYS 45 HA CYS 45 1.699 -2.905 0.331 292 HB2 CYS 45 1HB CYS 45 -0.557 -2.514 1.337 293 HB3 CYS 45 2HB CYS 45 -0.482 -4.130 2.029 294 HG CYS 45 HG CYS 45 2.240 -2.492 2.855 295 H SER 46 H SER 46 2.456 -5.264 -0.846 296 HA SER 46 HA SER 46 3.446 -6.806 1.459 297 HB2 SER 46 1HB SER 46 2.161 -7.753 -1.052 298 HB3 SER 46 2HB SER 46 3.516 -8.698 -0.435 299 HG SER 46 HG SER 46 2.408 -9.061 1.438 300 H PHE 47 H PHE 47 4.685 -4.572 0.123 301 HA PHE 47 HA PHE 47 6.926 -5.869 -1.268 302 HB2 PHE 47 1HB PHE 47 5.889 -3.040 -1.292 303 HB3 PHE 47 2HB PHE 47 7.490 -3.447 -1.901 304 HD1 PHE 47 2HD PHE 47 7.684 -5.073 -3.806 305 HD2 PHE 47 1HD PHE 47 3.970 -3.386 -2.590 306 HE1 PHE 47 2HE PHE 47 6.703 -5.673 -5.981 307 HE2 PHE 47 1HE PHE 47 2.983 -3.984 -4.763 308 HZ PHE 47 HZ PHE 47 4.350 -5.128 -6.463 309 H LYS 48 H LYS 48 8.481 -6.412 0.121 310 HA LYS 48 HA LYS 48 8.943 -5.006 2.571 311 HB2 LYS 48 1HB LYS 48 10.373 -7.247 1.156 312 HB3 LYS 48 2HB LYS 48 11.001 -6.538 2.639 313 HG2 LYS 48 1HG LYS 48 8.823 -7.095 3.730 314 HG3 LYS 48 2HG LYS 48 8.384 -7.974 2.264 315 HD2 LYS 48 1HD LYS 48 9.256 -9.658 3.581 316 HD3 LYS 48 2HD LYS 48 10.665 -9.179 2.633 317 HE2 LYS 48 1HE LYS 48 11.212 -7.604 4.565 318 HE3 LYS 48 2HE LYS 48 10.010 -8.505 5.488 319 HZ1 LYS 48 1HZ LYS 48 12.116 -9.996 4.097 320 HZ2 LYS 48 2HZ LYS 48 11.304 -10.367 5.533 321 HZ3 LYS 48 3HZ LYS 48 12.516 -9.187 5.528 322 H VAL 49 H VAL 49 10.031 -3.174 2.776 323 HA VAL 49 HA VAL 49 12.371 -2.702 1.073 324 HB VAL 49 HB VAL 49 11.737 -0.340 0.773 325 HG11 VAL 49 1HG1 VAL 49 10.402 -2.622 -0.425 326 HG12 VAL 49 2HG1 VAL 49 9.446 -1.144 -0.549 327 HG13 VAL 49 3HG1 VAL 49 11.091 -1.189 -1.186 328 HG21 VAL 49 1HG2 VAL 49 9.002 -0.285 1.161 329 HG22 VAL 49 2HG2 VAL 49 9.609 -1.113 2.595 330 HG23 VAL 49 3HG2 VAL 49 10.215 0.491 2.180 331 HA PRO 50 HA PRO 50 14.286 -1.517 4.852 332 HB2 PRO 50 1HB PRO 50 16.274 0.054 3.877 333 HB3 PRO 50 2HB PRO 50 16.283 -1.707 3.731 334 HG2 PRO 50 1HG PRO 50 15.495 0.357 1.711 335 HG3 PRO 50 2HG PRO 50 16.461 -1.114 1.489 336 HD2 PRO 50 1HD PRO 50 13.843 -0.975 0.814 337 HD3 PRO 50 2HD PRO 50 14.601 -2.471 1.393 338 H LYS 51 H LYS 51 13.663 -0.069 6.315 339 HA LYS 51 HA LYS 51 12.489 2.438 5.499 340 HB2 LYS 51 1HB LYS 51 12.130 2.725 7.979 341 HB3 LYS 51 2HB LYS 51 11.375 1.304 7.271 342 HG2 LYS 51 1HG LYS 51 12.835 -0.152 8.300 343 HG3 LYS 51 2HG LYS 51 14.083 1.079 8.504 344 HD2 LYS 51 1HD LYS 51 13.125 0.597 10.653 345 HD3 LYS 51 2HD LYS 51 12.609 2.211 10.160 346 HE2 LYS 51 1HE LYS 51 10.882 -0.128 9.500 347 HE3 LYS 51 2HE LYS 51 10.896 0.482 11.154 348 HZ1 LYS 51 1HZ LYS 51 10.663 2.645 9.371 349 HZ2 LYS 51 2HZ LYS 51 9.563 2.121 10.543 350 HZ3 LYS 51 3HZ LYS 51 9.491 1.492 8.975 351 H SER 52 H SER 52 15.499 1.323 6.828 352 HA SER 52 HA SER 52 16.461 3.708 7.936 353 HB2 SER 52 1HB SER 52 17.595 1.617 8.368 354 HB3 SER 52 2HB SER 52 17.951 1.407 6.653 355 HG SER 52 HG SER 52 19.522 2.844 6.784 356 H SER 53 H SER 53 16.747 2.410 4.647 357 HA SER 53 HA SER 53 18.046 4.862 3.753 358 HB2 SER 53 1HB SER 53 18.387 3.697 1.640 359 HB3 SER 53 2HB SER 53 18.900 2.664 2.974 360 HG SER 53 HG SER 53 16.480 1.980 2.712 361 H MET 54 H MET 54 15.457 5.279 4.636 362 HA MET 54 HA MET 54 13.902 5.600 2.160 363 HB2 MET 54 1HB MET 54 12.994 4.389 4.289 364 HB3 MET 54 2HB MET 54 12.765 6.022 4.902 365 HG2 MET 54 1HG MET 54 11.575 6.332 2.558 366 HG3 MET 54 2HG MET 54 11.356 4.592 2.726 367 HE1 MET 54 1HE MET 54 9.486 3.997 5.782 368 HE2 MET 54 2HE MET 54 8.688 3.902 4.212 369 HE3 MET 54 3HE MET 54 10.382 3.434 4.370 370 H GLY 55 H GLY 55 14.520 7.340 5.220 371 HA2 GLY 55 1HA GLY 55 15.018 9.789 3.758 372 HA3 GLY 55 2HA GLY 55 13.538 9.797 4.705 373 H ALA 56 H ALA 56 13.742 9.360 7.030 374 HA ALA 56 HA ALA 56 16.200 10.581 8.064 375 HB1 ALA 56 1HB ALA 56 14.848 11.766 9.361 376 HB2 ALA 56 2HB ALA 56 13.456 10.946 8.653 377 HB3 ALA 56 3HB ALA 56 14.230 10.286 10.094 378 H THR 57 H THR 57 17.454 8.648 7.942 379 HA THR 57 HA THR 57 16.776 6.196 9.095 380 HB THR 57 HB THR 57 18.660 6.233 7.654 381 HG1 THR 57 1HG THR 57 19.554 5.882 10.341 382 HG21 THR 57 1HG2 THR 57 19.871 8.108 7.542 383 HG22 THR 57 2HG2 THR 57 20.726 7.544 8.978 384 HG23 THR 57 3HG2 THR 57 19.341 8.623 9.143 385 H ALA 58 H ALA 58 16.752 5.434 11.125 386 HA ALA 58 HA ALA 58 17.479 7.292 13.278 387 HB1 ALA 58 1HB ALA 58 15.217 5.731 12.872 388 HB2 ALA 58 2HB ALA 58 16.107 4.901 14.148 389 HB3 ALA 58 3HB ALA 58 15.657 6.594 14.346 390 HA PRO 59 HA PRO 59 20.812 4.873 14.789 391 HB2 PRO 59 1HB PRO 59 20.418 4.873 17.475 392 HB3 PRO 59 2HB PRO 59 20.941 6.305 16.581 393 HG2 PRO 59 1HG PRO 59 18.203 5.564 17.538 394 HG3 PRO 59 2HG PRO 59 19.019 7.138 17.592 395 HD2 PRO 59 1HD PRO 59 17.173 6.518 15.710 396 HD3 PRO 59 2HD PRO 59 18.541 7.603 15.386 397 H GLU 60 H GLU 60 17.587 3.839 15.453 398 HA GLU 60 HA GLU 60 18.550 1.170 16.231 399 HB2 GLU 60 1HB GLU 60 16.435 0.775 17.254 400 HB3 GLU 60 2HB GLU 60 16.963 2.370 17.773 401 HG2 GLU 60 1HG GLU 60 15.179 2.108 15.399 402 HG3 GLU 60 2HG GLU 60 14.506 1.978 17.023 403 H ALA 61 H ALA 61 16.893 2.963 13.798 404 HA ALA 61 HA ALA 61 15.944 0.524 12.482 405 HB1 ALA 61 1HB ALA 61 14.208 1.999 12.351 406 HB2 ALA 61 2HB ALA 61 15.265 3.409 12.266 407 HB3 ALA 61 3HB ALA 61 15.040 2.389 10.845 408 H GLN 62 H GLN 62 18.062 -0.223 11.905 409 HA GLN 62 HA GLN 62 19.285 1.299 9.698 410 HB2 GLN 62 1HB GLN 62 20.486 -0.431 11.834 411 HB3 GLN 62 2HB GLN 62 21.321 -0.215 10.301 412 HG2 GLN 62 1HG GLN 62 21.570 2.100 10.645 413 HG3 GLN 62 2HG GLN 62 20.416 2.103 11.978 414 HE21 GLN 62 1HE2 GLN 62 23.195 3.021 11.865 415 HE22 GLN 62 2HE2 GLN 62 24.028 2.158 13.108 416 H ARG 63 H ARG 63 18.646 -1.990 10.886 417 HA ARG 63 HA ARG 63 18.628 -2.899 8.082 418 HB2 ARG 63 1HB ARG 63 20.357 -3.806 9.874 419 HB3 ARG 63 2HB ARG 63 19.000 -4.826 10.329 420 HG2 ARG 63 1HG ARG 63 18.886 -5.753 8.113 421 HG3 ARG 63 2HG ARG 63 20.134 -4.641 7.548 422 HD2 ARG 63 1HD ARG 63 20.612 -6.583 9.790 423 HD3 ARG 63 2HD ARG 63 20.853 -7.025 8.100 424 HE ARG 63 HE ARG 63 22.522 -5.307 9.706 425 HH11 ARG 63 2HH1 ARG 63 21.592 -6.240 6.483 426 HH12 ARG 63 1HH1 ARG 63 23.065 -5.689 5.758 427 HH21 ARG 63 2HH2 ARG 63 24.466 -4.577 8.763 428 HH22 ARG 63 1HH2 ARG 63 24.700 -4.744 7.055 429 H GLU 64 H GLU 64 16.356 -1.746 9.157 430 HA GLU 64 HA GLU 64 14.614 -4.002 9.854 431 HB2 GLU 64 1HB GLU 64 14.533 -2.047 11.343 432 HB3 GLU 64 2HB GLU 64 14.084 -1.028 9.982 433 HG2 GLU 64 1HG GLU 64 12.052 -1.415 10.970 434 HG3 GLU 64 2HG GLU 64 12.095 -2.674 9.737 435 H THR 65 H THR 65 12.800 -4.515 8.659 436 HA THR 65 HA THR 65 12.619 -3.235 6.008 437 HB THR 65 HB THR 65 11.763 -5.412 5.159 438 HG1 THR 65 1HG THR 65 11.252 -6.121 7.435 439 HG21 THR 65 1HG2 THR 65 14.162 -6.575 5.849 440 HG22 THR 65 2HG2 THR 65 14.483 -4.853 6.054 441 HG23 THR 65 3HG2 THR 65 13.906 -5.464 4.504 442 H VAL 66 H VAL 66 10.655 -2.583 5.295 443 HA VAL 66 HA VAL 66 8.316 -3.215 6.973 444 HB VAL 66 HB VAL 66 7.455 -0.956 6.593 445 HG11 VAL 66 1HG1 VAL 66 9.952 -0.052 7.654 446 HG12 VAL 66 2HG1 VAL 66 8.439 -0.383 8.499 447 HG13 VAL 66 3HG1 VAL 66 9.614 -1.676 8.253 448 HG21 VAL 66 1HG2 VAL 66 9.698 0.499 5.792 449 HG22 VAL 66 2HG2 VAL 66 9.610 -0.867 4.680 450 HG23 VAL 66 3HG2 VAL 66 8.227 0.212 4.863 451 H PHE 67 H PHE 67 6.222 -2.671 5.795 452 HA PHE 67 HA PHE 67 6.450 -3.635 3.025 453 HB2 PHE 67 1HB PHE 67 4.176 -3.849 5.006 454 HB3 PHE 67 2HB PHE 67 4.064 -4.346 3.321 455 HD1 PHE 67 1HD PHE 67 5.552 -5.091 6.585 456 HD2 PHE 67 2HD PHE 67 5.119 -6.355 2.544 457 HE1 PHE 67 1HE PHE 67 6.442 -7.304 7.186 458 HE2 PHE 67 2HE PHE 67 6.007 -8.571 3.138 459 HZ PHE 67 HZ PHE 67 6.669 -9.049 5.462 460 H VAL 68 H VAL 68 5.889 -2.330 1.413 461 HA VAL 68 HA VAL 68 4.227 0.026 2.032 462 HB VAL 68 HB VAL 68 5.448 1.316 0.400 463 HG11 VAL 68 1HG1 VAL 68 6.333 1.277 2.674 464 HG12 VAL 68 2HG1 VAL 68 7.343 -0.111 2.265 465 HG13 VAL 68 3HG1 VAL 68 7.631 1.449 1.493 466 HG21 VAL 68 1HG2 VAL 68 7.697 -0.004 -0.333 467 HG22 VAL 68 2HG2 VAL 68 6.524 -1.321 -0.332 468 HG23 VAL 68 3HG2 VAL 68 6.244 0.109 -1.326 469 H CYS 69 H CYS 69 3.493 1.016 -0.235 470 HA CYS 69 HA CYS 69 2.037 -1.154 -1.556 471 HB2 CYS 69 1HB CYS 69 0.486 0.519 -2.306 472 HB3 CYS 69 2HB CYS 69 0.793 0.800 -0.595 473 H ALA 70 H ALA 70 2.109 -1.516 -3.743 474 HA ALA 70 HA ALA 70 4.336 -1.392 -5.194 475 HB1 ALA 70 1HB ALA 70 3.061 -1.589 -7.197 476 HB2 ALA 70 2HB ALA 70 2.155 -2.391 -5.912 477 HB3 ALA 70 3HB ALA 70 1.673 -0.786 -6.462 478 H SER 71 H SER 71 1.957 1.249 -5.108 479 HA SER 71 HA SER 71 3.093 2.998 -6.895 480 HB2 SER 71 1HB SER 71 0.941 3.204 -5.418 481 HB3 SER 71 2HB SER 71 2.012 4.052 -4.302 482 HG SER 71 HG SER 71 0.791 5.154 -6.237 483 H CYS 72 H CYS 72 3.839 2.695 -3.432 484 HA CYS 72 HA CYS 72 5.925 4.656 -3.531 485 HB2 CYS 72 1HB CYS 72 5.237 2.600 -1.421 486 HB3 CYS 72 2HB CYS 72 6.413 3.894 -1.218 487 H ASN 73 H ASN 73 5.983 1.140 -2.914 488 HA ASN 73 HA ASN 73 8.593 0.571 -2.820 489 HB2 ASN 73 1HB ASN 73 6.924 -1.186 -2.779 490 HB3 ASN 73 2HB ASN 73 6.538 -0.907 -4.475 491 HD21 ASN 73 1HD2 ASN 73 8.161 -1.399 -6.055 492 HD22 ASN 73 2HD2 ASN 73 9.336 -2.623 -5.730 493 H GLN 74 H GLN 74 6.846 1.438 -5.758 494 HA GLN 74 HA GLN 74 8.987 0.961 -7.552 495 HB2 GLN 74 1HB GLN 74 6.448 2.558 -7.715 496 HB3 GLN 74 2HB GLN 74 7.626 2.601 -9.020 497 HG2 GLN 74 1HG GLN 74 7.452 0.135 -9.190 498 HG3 GLN 74 2HG GLN 74 6.169 0.183 -7.981 499 HE21 GLN 74 1HE2 GLN 74 4.177 0.287 -8.717 500 HE22 GLN 74 2HE2 GLN 74 3.697 0.834 -10.284 501 H THR 75 H THR 75 7.835 3.871 -5.890 502 HA THR 75 HA THR 75 9.721 5.634 -7.064 503 HB THR 75 HB THR 75 8.205 5.905 -4.461 504 HG1 THR 75 1HG THR 75 7.058 7.454 -6.028 505 HG21 THR 75 1HG2 THR 75 10.057 7.416 -4.407 506 HG22 THR 75 2HG2 THR 75 8.623 8.355 -4.825 507 HG23 THR 75 3HG2 THR 75 9.779 7.905 -6.078 508 H LEU 76 H LEU 76 9.641 3.933 -3.945 509 HA LEU 76 HA LEU 76 11.980 4.952 -2.848 510 HB2 LEU 76 1HB LEU 76 10.865 2.166 -2.562 511 HB3 LEU 76 2HB LEU 76 12.048 2.914 -1.491 512 HG LEU 76 HG LEU 76 9.260 3.988 -1.879 513 HD11 LEU 76 1HD1 LEU 76 8.713 2.911 0.253 514 HD12 LEU 76 2HD1 LEU 76 10.286 2.114 0.249 515 HD13 LEU 76 3HD1 LEU 76 9.099 1.731 -0.999 516 HD21 LEU 76 1HD2 LEU 76 11.547 4.580 -0.040 517 HD22 LEU 76 2HD2 LEU 76 9.887 4.911 0.457 518 HD23 LEU 76 3HD2 LEU 76 10.551 5.691 -0.979 519 H SER 77 H SER 77 11.605 1.892 -4.646 520 HA SER 77 HA SER 77 14.327 1.261 -4.764 521 HB2 SER 77 1HB SER 77 12.608 -0.393 -5.264 522 HB3 SER 77 2HB SER 77 12.102 0.525 -6.682 523 HG SER 77 HG SER 77 13.826 -0.143 -7.755 524 H LYS 78 H LYS 78 12.268 2.921 -7.140 525 HA LYS 78 HA LYS 78 14.550 3.523 -8.820 526 HB2 LYS 78 1HB LYS 78 12.490 3.006 -9.943 527 HB3 LYS 78 2HB LYS 78 11.619 4.224 -9.020 528 HG2 LYS 78 1HG LYS 78 12.807 5.992 -10.137 529 HG3 LYS 78 2HG LYS 78 13.830 4.823 -10.975 530 HD2 LYS 78 1HD LYS 78 11.539 3.885 -11.828 531 HD3 LYS 78 2HD LYS 78 10.955 5.500 -11.420 532 HE2 LYS 78 1HE LYS 78 12.783 6.439 -12.830 533 HE3 LYS 78 2HE LYS 78 13.184 4.795 -13.325 534 HZ1 LYS 78 1HZ LYS 78 11.213 4.577 -14.489 535 HZ2 LYS 78 2HZ LYS 78 11.643 6.181 -14.808 536 HZ3 LYS 78 3HZ LYS 78 10.446 5.839 -13.663 537 H SER 79 H SER 79 15.873 4.910 -7.703 538 HA SER 79 HA SER 79 14.708 7.515 -6.967 539 HB2 SER 79 1HB SER 79 16.520 7.749 -5.331 540 HB3 SER 79 2HB SER 79 15.598 6.277 -5.029 541 HG SER 79 HG SER 79 17.382 5.217 -5.270 542 H GLY 80 H GLY 80 15.020 8.648 -8.835 543 HA2 GLY 80 1HA GLY 80 17.652 8.601 -10.105 544 HA3 GLY 80 2HA GLY 80 16.203 9.358 -10.748 545 HA PRO 81 HA PRO 81 17.850 13.239 -9.514 546 HB2 PRO 81 1HB PRO 81 15.554 14.684 -9.435 547 HB3 PRO 81 2HB PRO 81 16.318 14.178 -10.946 548 HG2 PRO 81 1HG PRO 81 14.009 12.952 -9.487 549 HG3 PRO 81 2HG PRO 81 14.207 13.242 -11.225 550 HD2 PRO 81 1HD PRO 81 14.600 10.811 -10.100 551 HD3 PRO 81 2HD PRO 81 15.515 11.366 -11.517 552 H SER 82 H SER 82 18.543 12.653 -7.397 553 HA SER 82 HA SER 82 16.611 13.180 -5.245 554 HB2 SER 82 1HB SER 82 17.890 10.974 -5.318 555 HB3 SER 82 2HB SER 82 19.333 11.911 -4.926 556 HG SER 82 HG SER 82 18.009 12.709 -3.087 557 H SER 83 H SER 83 17.584 15.385 -6.606 558 HA SER 83 HA SER 83 18.924 16.781 -4.447 559 HB2 SER 83 1HB SER 83 20.637 15.772 -6.183 560 HB3 SER 83 2HB SER 83 20.143 17.158 -7.155 561 HG SER 83 HG SER 83 21.665 18.081 -5.998 562 H GLY 84 H GLY 84 18.112 18.771 -4.225 563 HA2 GLY 84 1HA GLY 84 17.489 20.902 -5.194 564 HA3 GLY 84 2HA GLY 84 16.835 20.025 -6.570 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -17.347 41.485 -19.950 2 HA2 GLY 1 1HA GLY 1 -15.071 42.050 -18.165 3 HA3 GLY 1 2HA GLY 1 -16.677 42.642 -17.765 4 H SER 2 H SER 2 -14.499 40.180 -17.284 5 HA SER 2 HA SER 2 -15.909 37.830 -17.217 6 HB2 SER 2 1HB SER 2 -13.461 38.215 -16.616 7 HB3 SER 2 2HB SER 2 -14.025 38.643 -15.000 8 HG SER 2 HG SER 2 -14.260 36.603 -14.591 9 H SER 3 H SER 3 -17.179 36.747 -15.701 10 HA SER 3 HA SER 3 -17.973 37.905 -13.226 11 HB2 SER 3 1HB SER 3 -19.256 39.391 -14.683 12 HB3 SER 3 2HB SER 3 -19.974 38.002 -15.498 13 HG SER 3 HG SER 3 -20.229 38.453 -12.714 14 H GLY 4 H GLY 4 -18.964 36.425 -11.919 15 HA2 GLY 4 1HA GLY 4 -20.535 34.470 -11.875 16 HA3 GLY 4 2HA GLY 4 -19.534 33.801 -13.155 17 H SER 5 H SER 5 -19.801 32.139 -11.191 18 HA SER 5 HA SER 5 -17.281 32.339 -9.686 19 HB2 SER 5 1HB SER 5 -19.027 32.806 -8.088 20 HB3 SER 5 2HB SER 5 -19.963 31.414 -8.634 21 HG SER 5 HG SER 5 -18.161 31.476 -6.725 22 H SER 6 H SER 6 -16.114 30.465 -9.472 23 HA SER 6 HA SER 6 -17.201 28.085 -10.828 24 HB2 SER 6 1HB SER 6 -15.494 29.176 -12.223 25 HB3 SER 6 2HB SER 6 -14.342 29.083 -10.892 26 HG SER 6 HG SER 6 -13.863 27.230 -11.767 27 H GLY 7 H GLY 7 -16.892 26.129 -9.864 28 HA2 GLY 7 1HA GLY 7 -14.961 25.568 -7.889 29 HA3 GLY 7 2HA GLY 7 -16.466 26.014 -7.100 30 H ARG 8 H ARG 8 -14.949 23.435 -7.274 31 HA ARG 8 HA ARG 8 -17.228 21.735 -7.584 32 HB2 ARG 8 1HB ARG 8 -16.330 22.113 -9.957 33 HB3 ARG 8 2HB ARG 8 -14.943 21.155 -9.457 34 HG2 ARG 8 1HG ARG 8 -16.272 19.230 -9.122 35 HG3 ARG 8 2HG ARG 8 -17.768 20.158 -9.248 36 HD2 ARG 8 1HD ARG 8 -17.338 20.598 -11.588 37 HD3 ARG 8 2HD ARG 8 -15.776 19.787 -11.481 38 HE ARG 8 HE ARG 8 -18.372 18.546 -11.692 39 HH11 ARG 8 2HH1 ARG 8 -15.033 18.139 -10.793 40 HH12 ARG 8 1HH1 ARG 8 -15.056 16.417 -10.986 41 HH21 ARG 8 2HH2 ARG 8 -18.414 16.280 -11.949 42 HH22 ARG 8 1HH2 ARG 8 -16.979 15.361 -11.645 43 H TYR 9 H TYR 9 -16.929 19.705 -6.655 44 HA TYR 9 HA TYR 9 -14.280 18.964 -5.707 45 HB2 TYR 9 1HB TYR 9 -16.502 19.097 -3.689 46 HB3 TYR 9 2HB TYR 9 -14.768 18.977 -3.414 47 HD1 TYR 9 1HD TYR 9 -13.340 20.959 -3.591 48 HD2 TYR 9 2HD TYR 9 -17.557 21.229 -4.095 49 HE1 TYR 9 1HE TYR 9 -13.212 23.399 -3.312 50 HE2 TYR 9 2HE TYR 9 -17.439 23.670 -3.819 51 HH TYR 9 HH TYR 9 -15.711 25.301 -2.590 52 HA PRO 10 HA PRO 10 -15.931 14.991 -6.711 53 HB2 PRO 10 1HB PRO 10 -13.951 13.492 -5.614 54 HB3 PRO 10 2HB PRO 10 -13.758 14.376 -7.132 55 HG2 PRO 10 1HG PRO 10 -12.871 15.131 -4.374 56 HG3 PRO 10 2HG PRO 10 -11.997 15.279 -5.910 57 HD2 PRO 10 1HD PRO 10 -13.246 17.376 -4.736 58 HD3 PRO 10 2HD PRO 10 -13.105 17.213 -6.499 59 H THR 11 H THR 11 -16.477 12.921 -5.606 60 HA THR 11 HA THR 11 -16.531 12.683 -2.797 61 HB THR 11 HB THR 11 -18.143 14.391 -2.651 62 HG1 THR 11 1HG THR 11 -18.748 12.010 -1.954 63 HG21 THR 11 1HG2 THR 11 -20.289 13.620 -4.307 64 HG22 THR 11 2HG2 THR 11 -18.835 13.548 -5.303 65 HG23 THR 11 3HG2 THR 11 -19.258 15.041 -4.466 66 H ASN 12 H ASN 12 -16.551 10.562 -2.492 67 HA ASN 12 HA ASN 12 -18.538 8.840 -3.527 68 HB2 ASN 12 1HB ASN 12 -16.976 9.284 -5.545 69 HB3 ASN 12 2HB ASN 12 -15.830 8.250 -4.696 70 HD21 ASN 12 1HD2 ASN 12 -16.595 6.090 -4.103 71 HD22 ASN 12 2HD2 ASN 12 -17.691 5.283 -5.168 72 H ASN 13 H ASN 13 -18.730 7.192 -2.152 73 HA ASN 13 HA ASN 13 -17.400 6.877 0.176 74 HB2 ASN 13 1HB ASN 13 -18.456 4.578 -1.485 75 HB3 ASN 13 2HB ASN 13 -18.205 4.573 0.258 76 HD21 ASN 13 1HD2 ASN 13 -20.301 4.199 0.815 77 HD22 ASN 13 2HD2 ASN 13 -21.575 5.337 0.555 78 H PHE 14 H PHE 14 -15.240 6.926 0.373 79 HA PHE 14 HA PHE 14 -13.553 5.400 -1.433 80 HB2 PHE 14 1HB PHE 14 -11.698 6.428 -0.025 81 HB3 PHE 14 2HB PHE 14 -12.701 7.555 -0.933 82 HD1 PHE 14 2HD PHE 14 -14.313 8.985 0.211 83 HD2 PHE 14 1HD PHE 14 -11.733 6.377 2.368 84 HE1 PHE 14 2HE PHE 14 -14.808 10.215 2.284 85 HE2 PHE 14 1HE PHE 14 -12.224 7.602 4.445 86 HZ PHE 14 HZ PHE 14 -13.763 9.525 4.404 87 H GLY 15 H GLY 15 -13.831 3.253 -0.958 88 HA2 GLY 15 1HA GLY 15 -12.703 2.388 1.607 89 HA3 GLY 15 2HA GLY 15 -14.299 1.799 1.166 90 H ASN 16 H ASN 16 -11.470 2.307 -0.907 91 HA ASN 16 HA ASN 16 -11.168 -0.585 -1.207 92 HB2 ASN 16 1HB ASN 16 -11.158 1.036 -3.713 93 HB3 ASN 16 2HB ASN 16 -11.561 -0.662 -3.477 94 HD21 ASN 16 1HD2 ASN 16 -13.489 -0.684 -1.661 95 HD22 ASN 16 2HD2 ASN 16 -14.870 0.208 -2.193 96 H CYS 17 H CYS 17 -9.218 -1.056 -2.674 97 HA CYS 17 HA CYS 17 -6.925 0.015 -1.529 98 HB2 CYS 17 1HB CYS 17 -7.083 -2.153 -2.776 99 HB3 CYS 17 2HB CYS 17 -7.106 -1.233 -4.277 100 H THR 18 H THR 18 -5.207 1.279 -2.519 101 HA THR 18 HA THR 18 -6.312 3.528 -4.034 102 HB THR 18 HB THR 18 -3.553 3.474 -2.843 103 HG1 THR 18 1HG THR 18 -5.348 2.900 -1.300 104 HG21 THR 18 1HG2 THR 18 -3.545 5.691 -3.235 105 HG22 THR 18 2HG2 THR 18 -5.220 5.885 -2.720 106 HG23 THR 18 3HG2 THR 18 -4.859 5.332 -4.355 107 H GLY 19 H GLY 19 -4.992 0.713 -4.834 108 HA2 GLY 19 1HA GLY 19 -3.455 1.878 -7.073 109 HA3 GLY 19 2HA GLY 19 -2.984 0.380 -6.283 110 H CYS 20 H CYS 20 -5.123 -1.133 -6.131 111 HA CYS 20 HA CYS 20 -5.942 -1.459 -8.933 112 HB2 CYS 20 1HB CYS 20 -6.340 -3.799 -8.395 113 HB3 CYS 20 2HB CYS 20 -4.711 -3.341 -7.907 114 H SER 21 H SER 21 -7.126 0.053 -6.409 115 HA SER 21 HA SER 21 -9.190 0.390 -5.447 116 HB2 SER 21 1HB SER 21 -10.896 0.959 -7.120 117 HB3 SER 21 2HB SER 21 -9.320 1.596 -7.591 118 HG SER 21 HG SER 21 -9.538 0.502 -9.358 119 H ALA 22 H ALA 22 -8.505 -2.286 -5.193 120 HA ALA 22 HA ALA 22 -10.897 -3.805 -5.921 121 HB1 ALA 22 1HB ALA 22 -9.670 -5.774 -5.363 122 HB2 ALA 22 2HB ALA 22 -8.619 -4.744 -6.336 123 HB3 ALA 22 3HB ALA 22 -8.398 -4.829 -4.589 124 H THR 23 H THR 23 -12.499 -3.289 -4.520 125 HA THR 23 HA THR 23 -12.487 -2.471 -1.960 126 HB THR 23 HB THR 23 -14.378 -4.649 -2.849 127 HG1 THR 23 1HG THR 23 -14.710 -1.861 -3.296 128 HG21 THR 23 1HG2 THR 23 -14.343 -2.591 -0.711 129 HG22 THR 23 2HG2 THR 23 -15.015 -4.222 -0.702 130 HG23 THR 23 3HG2 THR 23 -15.887 -2.913 -1.498 131 H PHE 24 H PHE 24 -12.450 -3.368 0.107 132 HA PHE 24 HA PHE 24 -10.917 -5.840 0.305 133 HB2 PHE 24 1HB PHE 24 -11.678 -3.951 2.536 134 HB3 PHE 24 2HB PHE 24 -10.421 -5.184 2.560 135 HD1 PHE 24 1HD PHE 24 -8.360 -4.867 1.224 136 HD2 PHE 24 2HD PHE 24 -11.279 -1.798 1.643 137 HE1 PHE 24 1HE PHE 24 -6.712 -3.202 0.473 138 HE2 PHE 24 2HE PHE 24 -9.636 -0.128 0.892 139 HZ PHE 24 HZ PHE 24 -7.349 -0.829 0.305 140 H SER 25 H SER 25 -12.179 -7.601 0.225 141 HA SER 25 HA SER 25 -14.831 -7.680 1.282 142 HB2 SER 25 1HB SER 25 -13.674 -9.109 -0.624 143 HB3 SER 25 2HB SER 25 -13.305 -10.188 0.721 144 HG SER 25 HG SER 25 -15.287 -10.841 0.623 145 H VAL 26 H VAL 26 -15.319 -9.770 2.706 146 HA VAL 26 HA VAL 26 -14.508 -9.209 5.295 147 HB VAL 26 HB VAL 26 -15.260 -11.608 5.795 148 HG11 VAL 26 1HG1 VAL 26 -17.556 -10.504 4.431 149 HG12 VAL 26 2HG1 VAL 26 -17.248 -10.676 6.160 150 HG13 VAL 26 3HG1 VAL 26 -16.658 -9.257 5.295 151 HG21 VAL 26 1HG2 VAL 26 -16.128 -12.947 4.137 152 HG22 VAL 26 2HG2 VAL 26 -16.409 -11.595 3.040 153 HG23 VAL 26 3HG2 VAL 26 -14.771 -12.199 3.293 154 H LEU 27 H LEU 27 -13.040 -11.293 2.896 155 HA LEU 27 HA LEU 27 -11.198 -12.491 4.764 156 HB2 LEU 27 1HB LEU 27 -11.746 -12.690 1.856 157 HB3 LEU 27 2HB LEU 27 -10.129 -13.126 2.408 158 HG LEU 27 HG LEU 27 -11.854 -14.996 2.138 159 HD11 LEU 27 1HD1 LEU 27 -10.962 -15.336 4.861 160 HD12 LEU 27 2HD1 LEU 27 -9.695 -14.639 3.853 161 HD13 LEU 27 3HD1 LEU 27 -10.446 -16.167 3.393 162 HD21 LEU 27 1HD2 LEU 27 -12.837 -13.739 4.697 163 HD22 LEU 27 2HD2 LEU 27 -13.268 -15.356 4.140 164 HD23 LEU 27 3HD2 LEU 27 -13.742 -13.942 3.197 165 H LYS 28 H LYS 28 -10.806 -10.371 1.920 166 HA LYS 28 HA LYS 28 -8.106 -9.781 2.326 167 HB2 LYS 28 1HB LYS 28 -9.754 -9.264 0.330 168 HB3 LYS 28 2HB LYS 28 -9.930 -7.722 1.157 169 HG2 LYS 28 1HG LYS 28 -7.402 -7.561 1.098 170 HG3 LYS 28 2HG LYS 28 -7.445 -8.923 -0.024 171 HD2 LYS 28 1HD LYS 28 -9.167 -6.543 -0.553 172 HD3 LYS 28 2HD LYS 28 -7.441 -6.454 -0.913 173 HE2 LYS 28 1HE LYS 28 -7.565 -8.086 -2.544 174 HE3 LYS 28 2HE LYS 28 -9.036 -8.790 -1.874 175 HZ1 LYS 28 1HZ LYS 28 -8.783 -6.267 -3.410 176 HZ2 LYS 28 2HZ LYS 28 -10.187 -6.703 -2.574 177 HZ3 LYS 28 3HZ LYS 28 -9.630 -7.664 -3.851 178 H LYS 29 H LYS 29 -7.203 -8.848 4.029 179 HA LYS 29 HA LYS 29 -8.750 -7.020 5.689 180 HB2 LYS 29 1HB LYS 29 -6.872 -7.197 7.264 181 HB3 LYS 29 2HB LYS 29 -7.490 -8.781 6.811 182 HG2 LYS 29 1HG LYS 29 -5.569 -8.586 4.991 183 HG3 LYS 29 2HG LYS 29 -4.879 -7.516 6.214 184 HD2 LYS 29 1HD LYS 29 -4.672 -9.211 7.769 185 HD3 LYS 29 2HD LYS 29 -5.938 -10.190 7.024 186 HE2 LYS 29 1HE LYS 29 -4.437 -10.619 5.114 187 HE3 LYS 29 2HE LYS 29 -3.172 -9.696 5.925 188 HZ1 LYS 29 1HZ LYS 29 -3.201 -11.293 7.729 189 HZ2 LYS 29 2HZ LYS 29 -2.905 -12.078 6.260 190 HZ3 LYS 29 3HZ LYS 29 -4.435 -12.171 6.975 191 H ARG 30 H ARG 30 -8.721 -4.924 5.246 192 HA ARG 30 HA ARG 30 -7.163 -3.608 3.417 193 HB2 ARG 30 1HB ARG 30 -9.221 -2.835 4.880 194 HB3 ARG 30 2HB ARG 30 -7.962 -2.137 5.891 195 HG2 ARG 30 1HG ARG 30 -7.393 -0.568 4.345 196 HG3 ARG 30 2HG ARG 30 -7.858 -1.584 2.980 197 HD2 ARG 30 1HD ARG 30 -9.506 0.040 2.977 198 HD3 ARG 30 2HD ARG 30 -10.264 -1.270 3.882 199 HE ARG 30 HE ARG 30 -9.151 0.204 5.833 200 HH11 ARG 30 2HH1 ARG 30 -11.163 1.047 3.120 201 HH12 ARG 30 1HH1 ARG 30 -11.900 2.396 3.919 202 HH21 ARG 30 2HH2 ARG 30 -10.114 1.978 6.896 203 HH22 ARG 30 1HH2 ARG 30 -11.302 2.925 6.066 204 H ARG 31 H ARG 31 -5.020 -3.522 3.309 205 HA ARG 31 HA ARG 31 -3.416 -3.527 5.733 206 HB2 ARG 31 1HB ARG 31 -2.910 -3.993 2.840 207 HB3 ARG 31 2HB ARG 31 -1.570 -3.389 3.805 208 HG2 ARG 31 1HG ARG 31 -1.543 -5.290 5.167 209 HG3 ARG 31 2HG ARG 31 -3.152 -5.792 4.644 210 HD2 ARG 31 1HD ARG 31 -1.875 -7.225 3.405 211 HD3 ARG 31 2HD ARG 31 -1.982 -5.870 2.282 212 HE ARG 31 HE ARG 31 0.279 -5.703 2.432 213 HH11 ARG 31 2HH1 ARG 31 -0.903 -7.113 5.387 214 HH12 ARG 31 1HH1 ARG 31 0.674 -7.314 6.075 215 HH21 ARG 31 2HH2 ARG 31 2.361 -5.962 3.327 216 HH22 ARG 31 1HH2 ARG 31 2.530 -6.658 4.903 217 H SER 32 H SER 32 -1.783 -1.956 6.161 218 HA SER 32 HA SER 32 -2.352 0.678 4.965 219 HB2 SER 32 1HB SER 32 -1.574 -0.015 7.805 220 HB3 SER 32 2HB SER 32 -1.605 1.630 7.170 221 HG SER 32 HG SER 32 -3.637 0.148 8.091 222 H CYS 33 H CYS 33 -0.731 1.532 3.859 223 HA CYS 33 HA CYS 33 1.774 0.346 3.558 224 HB2 CYS 33 1HB CYS 33 0.719 1.955 1.962 225 HB3 CYS 33 2HB CYS 33 1.102 3.256 3.085 226 H SER 34 H SER 34 3.899 1.377 4.037 227 HA SER 34 HA SER 34 3.923 2.292 6.826 228 HB2 SER 34 1HB SER 34 5.880 0.789 5.122 229 HB3 SER 34 2HB SER 34 6.457 1.690 6.524 230 HG SER 34 HG SER 34 4.268 -0.038 6.814 231 H ASN 35 H ASN 35 4.930 3.138 3.590 232 HA ASN 35 HA ASN 35 6.462 5.431 4.481 233 HB2 ASN 35 1HB ASN 35 7.304 4.300 2.543 234 HB3 ASN 35 2HB ASN 35 5.739 4.387 1.740 235 HD21 ASN 35 1HD2 ASN 35 6.227 5.562 -0.010 236 HD22 ASN 35 2HD2 ASN 35 6.868 7.166 0.028 237 H CYS 36 H CYS 36 3.934 5.266 1.987 238 HA CYS 36 HA CYS 36 3.119 7.945 2.402 239 HB2 CYS 36 1HB CYS 36 1.414 7.517 0.779 240 HB3 CYS 36 2HB CYS 36 2.846 6.626 0.273 241 H GLY 37 H GLY 37 1.961 4.854 3.609 242 HA2 GLY 37 1HA GLY 37 0.676 4.436 5.489 243 HA3 GLY 37 2HA GLY 37 0.556 6.170 5.749 244 H ASN 38 H ASN 38 -0.361 4.427 2.822 245 HA ASN 38 HA ASN 38 -3.115 5.373 3.230 246 HB2 ASN 38 1HB ASN 38 -1.889 4.443 0.630 247 HB3 ASN 38 2HB ASN 38 -3.389 5.339 0.853 248 HD21 ASN 38 1HD2 ASN 38 -1.167 6.046 -0.805 249 HD22 ASN 38 2HD2 ASN 38 -0.567 7.561 -0.229 250 H SER 39 H SER 39 -4.747 3.908 1.983 251 HA SER 39 HA SER 39 -4.509 1.273 3.166 252 HB2 SER 39 1HB SER 39 -6.878 1.039 2.194 253 HB3 SER 39 2HB SER 39 -6.644 2.231 3.473 254 HG SER 39 HG SER 39 -6.460 2.923 0.740 255 H PHE 40 H PHE 40 -4.250 -0.620 2.105 256 HA PHE 40 HA PHE 40 -4.441 -0.716 -0.794 257 HB2 PHE 40 1HB PHE 40 -1.870 -1.232 0.705 258 HB3 PHE 40 2HB PHE 40 -2.154 -1.779 -0.944 259 HD1 PHE 40 1HD PHE 40 -2.611 -0.058 -2.725 260 HD2 PHE 40 2HD PHE 40 -1.174 0.956 1.151 261 HE1 PHE 40 1HE PHE 40 -1.854 2.122 -3.579 262 HE2 PHE 40 2HE PHE 40 -0.416 3.138 0.304 263 HZ PHE 40 HZ PHE 40 -0.756 3.724 -2.064 264 H CYS 41 H CYS 41 -4.179 -2.953 -1.624 265 HA CYS 41 HA CYS 41 -5.558 -4.792 0.125 266 HB2 CYS 41 1HB CYS 41 -5.655 -6.250 -1.861 267 HB3 CYS 41 2HB CYS 41 -6.239 -4.626 -2.212 268 H SER 42 H SER 42 -4.721 -7.241 -0.407 269 HA SER 42 HA SER 42 -2.154 -7.355 0.933 270 HB2 SER 42 1HB SER 42 -4.275 -9.376 0.261 271 HB3 SER 42 2HB SER 42 -2.674 -9.899 0.783 272 HG SER 42 HG SER 42 -3.983 -7.945 2.292 273 H ARG 43 H ARG 43 -2.722 -6.723 -2.073 274 HA ARG 43 HA ARG 43 -0.667 -8.555 -3.125 275 HB2 ARG 43 1HB ARG 43 -2.987 -7.287 -4.591 276 HB3 ARG 43 2HB ARG 43 -1.700 -8.205 -5.362 277 HG2 ARG 43 1HG ARG 43 -2.353 -10.198 -4.151 278 HG3 ARG 43 2HG ARG 43 -3.597 -9.288 -3.291 279 HD2 ARG 43 1HD ARG 43 -4.767 -10.363 -5.000 280 HD3 ARG 43 2HD ARG 43 -4.521 -8.729 -5.615 281 HE ARG 43 HE ARG 43 -2.404 -10.043 -6.618 282 HH11 ARG 43 2HH1 ARG 43 -5.809 -10.765 -6.590 283 HH12 ARG 43 1HH1 ARG 43 -5.771 -11.632 -8.089 284 HH21 ARG 43 2HH2 ARG 43 -2.340 -11.183 -8.593 285 HH22 ARG 43 1HH2 ARG 43 -3.797 -11.871 -9.227 286 H CYS 44 H CYS 44 -1.785 -5.289 -2.782 287 HA CYS 44 HA CYS 44 0.322 -4.242 -4.506 288 HB2 CYS 44 1HB CYS 44 -1.948 -2.926 -3.011 289 HB3 CYS 44 2HB CYS 44 -0.714 -2.015 -3.874 290 H CYS 45 H CYS 45 -0.495 -4.567 -1.128 291 HA CYS 45 HA CYS 45 1.854 -2.993 -0.358 292 HB2 CYS 45 1HB CYS 45 -0.338 -2.521 0.742 293 HB3 CYS 45 2HB CYS 45 -0.310 -4.148 1.412 294 HG CYS 45 HG CYS 45 2.510 -2.632 2.152 295 H SER 46 H SER 46 2.241 -5.526 -1.589 296 HA SER 46 HA SER 46 3.174 -7.183 0.657 297 HB2 SER 46 1HB SER 46 2.922 -9.080 -0.669 298 HB3 SER 46 2HB SER 46 1.579 -8.076 -1.216 299 HG SER 46 HG SER 46 3.105 -7.332 -2.889 300 H PHE 47 H PHE 47 4.569 -4.829 -0.283 301 HA PHE 47 HA PHE 47 7.025 -6.087 -1.318 302 HB2 PHE 47 1HB PHE 47 5.965 -3.293 -1.768 303 HB3 PHE 47 2HB PHE 47 7.597 -3.797 -2.197 304 HD1 PHE 47 1HD PHE 47 4.025 -4.235 -2.944 305 HD2 PHE 47 2HD PHE 47 8.016 -5.128 -4.125 306 HE1 PHE 47 1HE PHE 47 3.197 -5.048 -5.114 307 HE2 PHE 47 2HE PHE 47 7.194 -5.941 -6.297 308 HZ PHE 47 HZ PHE 47 4.783 -5.901 -6.795 309 H LYS 48 H LYS 48 8.697 -6.083 0.022 310 HA LYS 48 HA LYS 48 8.580 -4.422 2.426 311 HB2 LYS 48 1HB LYS 48 10.147 -6.875 1.670 312 HB3 LYS 48 2HB LYS 48 10.598 -5.900 3.063 313 HG2 LYS 48 1HG LYS 48 8.025 -6.227 3.635 314 HG3 LYS 48 2HG LYS 48 8.265 -7.678 2.660 315 HD2 LYS 48 1HD LYS 48 9.977 -6.894 5.017 316 HD3 LYS 48 2HD LYS 48 8.637 -8.040 5.090 317 HE2 LYS 48 1HE LYS 48 9.933 -9.198 3.127 318 HE3 LYS 48 2HE LYS 48 11.307 -8.311 3.784 319 HZ1 LYS 48 1HZ LYS 48 10.410 -9.346 6.010 320 HZ2 LYS 48 2HZ LYS 48 11.448 -10.213 4.993 321 HZ3 LYS 48 3HZ LYS 48 9.784 -10.515 4.958 322 H VAL 49 H VAL 49 9.900 -2.745 2.776 323 HA VAL 49 HA VAL 49 12.314 -2.457 1.134 324 HB VAL 49 HB VAL 49 11.851 -0.099 0.713 325 HG11 VAL 49 1HG1 VAL 49 9.660 -1.968 -0.180 326 HG12 VAL 49 2HG1 VAL 49 9.969 -0.380 -0.884 327 HG13 VAL 49 3HG1 VAL 49 11.188 -1.650 -1.000 328 HG21 VAL 49 1HG2 VAL 49 9.509 0.736 1.133 329 HG22 VAL 49 2HG2 VAL 49 9.280 -0.671 2.171 330 HG23 VAL 49 3HG2 VAL 49 10.512 0.526 2.569 331 HA PRO 50 HA PRO 50 14.227 -1.257 4.904 332 HB2 PRO 50 1HB PRO 50 16.230 0.310 3.955 333 HB3 PRO 50 2HB PRO 50 16.229 -1.450 3.793 334 HG2 PRO 50 1HG PRO 50 15.466 0.637 1.787 335 HG3 PRO 50 2HG PRO 50 16.424 -0.838 1.558 336 HD2 PRO 50 1HD PRO 50 13.811 -0.676 0.869 337 HD3 PRO 50 2HD PRO 50 14.556 -2.183 1.439 338 H LYS 51 H LYS 51 13.432 0.139 6.334 339 HA LYS 51 HA LYS 51 12.378 2.694 5.526 340 HB2 LYS 51 1HB LYS 51 11.704 2.928 7.856 341 HB3 LYS 51 2HB LYS 51 11.258 1.340 7.246 342 HG2 LYS 51 1HG LYS 51 13.271 0.403 8.337 343 HG3 LYS 51 2HG LYS 51 13.597 1.995 9.025 344 HD2 LYS 51 1HD LYS 51 11.104 0.358 9.485 345 HD3 LYS 51 2HD LYS 51 12.445 0.528 10.620 346 HE2 LYS 51 1HE LYS 51 10.985 2.112 11.422 347 HE3 LYS 51 2HE LYS 51 11.970 3.085 10.331 348 HZ1 LYS 51 1HZ LYS 51 10.026 2.207 8.699 349 HZ2 LYS 51 2HZ LYS 51 10.004 3.698 9.496 350 HZ3 LYS 51 3HZ LYS 51 9.177 2.377 10.153 351 H SER 52 H SER 52 15.046 1.577 7.589 352 HA SER 52 HA SER 52 15.994 4.040 8.440 353 HB2 SER 52 1HB SER 52 18.116 2.929 8.858 354 HB3 SER 52 2HB SER 52 16.796 1.837 9.275 355 HG SER 52 HG SER 52 17.106 1.003 7.049 356 H SER 53 H SER 53 16.742 2.257 5.474 357 HA SER 53 HA SER 53 18.298 4.549 4.507 358 HB2 SER 53 1HB SER 53 19.251 3.072 2.876 359 HB3 SER 53 2HB SER 53 19.280 2.223 4.421 360 HG SER 53 HG SER 53 17.998 1.575 2.117 361 H MET 54 H MET 54 15.512 4.856 4.664 362 HA MET 54 HA MET 54 14.505 4.508 1.950 363 HB2 MET 54 1HB MET 54 13.198 4.148 4.202 364 HB3 MET 54 2HB MET 54 12.969 5.890 4.115 365 HG2 MET 54 1HG MET 54 12.013 5.570 1.832 366 HG3 MET 54 2HG MET 54 12.086 3.832 2.111 367 HE1 MET 54 1HE MET 54 10.261 3.246 5.162 368 HE2 MET 54 2HE MET 54 9.379 2.732 3.724 369 HE3 MET 54 3HE MET 54 11.140 2.633 3.761 370 H GLY 55 H GLY 55 14.682 7.199 4.296 371 HA2 GLY 55 1HA GLY 55 15.671 8.981 2.247 372 HA3 GLY 55 2HA GLY 55 14.023 9.320 2.753 373 H ALA 56 H ALA 56 14.329 8.632 5.495 374 HA ALA 56 HA ALA 56 16.139 10.785 6.382 375 HB1 ALA 56 1HB ALA 56 13.901 11.533 6.690 376 HB2 ALA 56 2HB ALA 56 13.430 10.008 7.442 377 HB3 ALA 56 3HB ALA 56 14.532 11.100 8.279 378 H THR 57 H THR 57 17.863 9.380 6.800 379 HA THR 57 HA THR 57 17.743 6.979 8.212 380 HB THR 57 HB THR 57 20.143 7.315 8.702 381 HG1 THR 57 1HG THR 57 20.846 9.299 8.813 382 HG21 THR 57 1HG2 THR 57 19.130 7.905 5.933 383 HG22 THR 57 2HG2 THR 57 19.739 6.382 6.582 384 HG23 THR 57 3HG2 THR 57 20.849 7.717 6.273 385 H ALA 58 H ALA 58 16.686 6.845 10.108 386 HA ALA 58 HA ALA 58 17.186 8.873 12.166 387 HB1 ALA 58 1HB ALA 58 14.979 6.971 11.613 388 HB2 ALA 58 2HB ALA 58 15.296 7.389 13.297 389 HB3 ALA 58 3HB ALA 58 14.922 8.657 12.130 390 HA PRO 59 HA PRO 59 19.836 6.220 14.467 391 HB2 PRO 59 1HB PRO 59 19.454 7.251 16.950 392 HB3 PRO 59 2HB PRO 59 20.386 8.080 15.698 393 HG2 PRO 59 1HG PRO 59 17.550 8.517 16.549 394 HG3 PRO 59 2HG PRO 59 18.802 9.715 16.174 395 HD2 PRO 59 1HD PRO 59 16.861 9.038 14.413 396 HD3 PRO 59 2HD PRO 59 18.492 9.512 13.899 397 H GLU 60 H GLU 60 16.448 6.410 15.052 398 HA GLU 60 HA GLU 60 16.436 4.295 17.037 399 HB2 GLU 60 1HB GLU 60 14.099 4.648 17.204 400 HB3 GLU 60 2HB GLU 60 14.817 6.243 17.027 401 HG2 GLU 60 1HG GLU 60 13.987 6.536 14.908 402 HG3 GLU 60 2HG GLU 60 13.861 4.805 14.602 403 H ALA 61 H ALA 61 15.960 4.688 13.611 404 HA ALA 61 HA ALA 61 15.306 1.821 13.394 405 HB1 ALA 61 1HB ALA 61 14.559 4.113 11.589 406 HB2 ALA 61 2HB ALA 61 14.337 2.415 11.163 407 HB3 ALA 61 3HB ALA 61 13.481 3.097 12.546 408 H GLN 62 H GLN 62 16.941 0.623 12.701 409 HA GLN 62 HA GLN 62 18.672 1.654 10.580 410 HB2 GLN 62 1HB GLN 62 19.582 0.616 13.254 411 HB3 GLN 62 2HB GLN 62 20.628 0.560 11.842 412 HG2 GLN 62 1HG GLN 62 20.566 2.950 11.633 413 HG3 GLN 62 2HG GLN 62 19.375 3.070 12.926 414 HE21 GLN 62 1HE2 GLN 62 21.853 4.409 12.877 415 HE22 GLN 62 2HE2 GLN 62 22.804 3.822 14.195 416 H ARG 63 H ARG 63 19.195 0.171 9.072 417 HA ARG 63 HA ARG 63 18.920 -1.744 7.849 418 HB2 ARG 63 1HB ARG 63 20.838 -2.132 9.631 419 HB3 ARG 63 2HB ARG 63 19.707 -3.325 10.256 420 HG2 ARG 63 1HG ARG 63 20.291 -3.364 7.348 421 HG3 ARG 63 2HG ARG 63 21.542 -3.933 8.455 422 HD2 ARG 63 1HD ARG 63 19.638 -5.330 9.509 423 HD3 ARG 63 2HD ARG 63 18.786 -5.014 7.998 424 HE ARG 63 HE ARG 63 21.069 -6.743 8.385 425 HH11 ARG 63 2HH1 ARG 63 19.119 -4.968 6.111 426 HH12 ARG 63 1HH1 ARG 63 19.592 -5.933 4.753 427 HH21 ARG 63 2HH2 ARG 63 21.699 -8.021 6.604 428 HH22 ARG 63 1HH2 ARG 63 21.059 -7.670 5.034 429 H GLU 64 H GLU 64 16.505 -0.916 8.952 430 HA GLU 64 HA GLU 64 15.235 -3.422 9.823 431 HB2 GLU 64 1HB GLU 64 15.056 -1.093 11.078 432 HB3 GLU 64 2HB GLU 64 13.792 -0.811 9.889 433 HG2 GLU 64 1HG GLU 64 13.089 -1.758 12.133 434 HG3 GLU 64 2HG GLU 64 12.481 -2.569 10.690 435 H THR 65 H THR 65 13.065 -3.870 8.964 436 HA THR 65 HA THR 65 12.796 -2.952 6.175 437 HB THR 65 HB THR 65 11.744 -5.155 5.685 438 HG1 THR 65 1HG THR 65 11.157 -5.752 7.805 439 HG21 THR 65 1HG2 THR 65 14.535 -4.635 6.252 440 HG22 THR 65 2HG2 THR 65 13.808 -5.532 4.919 441 HG23 THR 65 3HG2 THR 65 14.144 -6.343 6.448 442 H VAL 66 H VAL 66 10.663 -2.765 5.332 443 HA VAL 66 HA VAL 66 8.436 -2.926 7.200 444 HB VAL 66 HB VAL 66 7.695 -0.648 6.843 445 HG11 VAL 66 1HG1 VAL 66 9.254 -1.170 8.713 446 HG12 VAL 66 2HG1 VAL 66 10.584 -0.606 7.700 447 HG13 VAL 66 3HG1 VAL 66 9.308 0.511 8.184 448 HG21 VAL 66 1HG2 VAL 66 9.224 -0.691 4.586 449 HG22 VAL 66 2HG2 VAL 66 8.513 0.758 5.296 450 HG23 VAL 66 3HG2 VAL 66 10.186 0.331 5.653 451 H PHE 67 H PHE 67 6.359 -2.753 6.167 452 HA PHE 67 HA PHE 67 6.457 -3.674 3.399 453 HB2 PHE 67 1HB PHE 67 4.238 -3.664 5.452 454 HB3 PHE 67 2HB PHE 67 4.036 -4.224 3.795 455 HD1 PHE 67 2HD PHE 67 5.507 -6.146 3.006 456 HD2 PHE 67 1HD PHE 67 5.035 -5.093 7.103 457 HE1 PHE 67 2HE PHE 67 6.289 -8.383 3.667 458 HE2 PHE 67 1HE PHE 67 5.818 -7.328 7.771 459 HZ PHE 67 HZ PHE 67 6.445 -8.977 6.052 460 H VAL 68 H VAL 68 5.813 -2.490 1.713 461 HA VAL 68 HA VAL 68 4.230 -0.062 2.213 462 HB VAL 68 HB VAL 68 5.561 1.113 0.470 463 HG11 VAL 68 1HG1 VAL 68 6.331 0.488 3.164 464 HG12 VAL 68 2HG1 VAL 68 7.763 0.770 2.172 465 HG13 VAL 68 3HG1 VAL 68 6.504 2.001 2.275 466 HG21 VAL 68 1HG2 VAL 68 7.896 -0.599 0.728 467 HG22 VAL 68 2HG2 VAL 68 6.554 -1.400 -0.087 468 HG23 VAL 68 3HG2 VAL 68 7.179 0.127 -0.711 469 H CYS 69 H CYS 69 3.468 0.873 0.017 470 HA CYS 69 HA CYS 69 2.177 -1.316 -1.407 471 HB2 CYS 69 1HB CYS 69 0.677 0.347 -2.288 472 HB3 CYS 69 2HB CYS 69 0.863 0.637 -0.562 473 H ALA 70 H ALA 70 2.307 -1.645 -3.618 474 HA ALA 70 HA ALA 70 4.656 -1.536 -4.920 475 HB1 ALA 70 1HB ALA 70 2.104 -1.011 -6.417 476 HB2 ALA 70 2HB ALA 70 3.525 -1.913 -6.948 477 HB3 ALA 70 3HB ALA 70 2.474 -2.579 -5.698 478 H SER 71 H SER 71 2.150 0.983 -5.234 479 HA SER 71 HA SER 71 3.364 2.721 -6.940 480 HB2 SER 71 1HB SER 71 1.560 3.127 -4.591 481 HB3 SER 71 2HB SER 71 2.268 4.544 -5.367 482 HG SER 71 HG SER 71 0.434 4.205 -6.479 483 H CYS 72 H CYS 72 4.035 2.320 -3.500 484 HA CYS 72 HA CYS 72 5.998 4.446 -3.494 485 HB2 CYS 72 1HB CYS 72 5.129 2.454 -1.396 486 HB3 CYS 72 2HB CYS 72 6.393 3.650 -1.128 487 H ASN 73 H ASN 73 6.152 0.972 -2.684 488 HA ASN 73 HA ASN 73 8.789 0.536 -2.478 489 HB2 ASN 73 1HB ASN 73 7.188 -1.282 -2.321 490 HB3 ASN 73 2HB ASN 73 6.843 -1.170 -4.045 491 HD21 ASN 73 1HD2 ASN 73 8.396 -1.878 -5.532 492 HD22 ASN 73 2HD2 ASN 73 9.665 -2.955 -5.068 493 H GLN 74 H GLN 74 7.070 1.059 -5.513 494 HA GLN 74 HA GLN 74 9.272 0.537 -7.217 495 HB2 GLN 74 1HB GLN 74 6.669 1.998 -7.573 496 HB3 GLN 74 2HB GLN 74 7.872 1.962 -8.855 497 HG2 GLN 74 1HG GLN 74 6.754 -0.517 -7.577 498 HG3 GLN 74 2HG GLN 74 6.053 0.241 -9.006 499 HE21 GLN 74 1HE2 GLN 74 6.482 -1.762 -10.083 500 HE22 GLN 74 2HE2 GLN 74 8.064 -2.099 -10.689 501 H THR 75 H THR 75 7.971 3.502 -5.790 502 HA THR 75 HA THR 75 9.798 5.250 -7.093 503 HB THR 75 HB THR 75 8.232 5.708 -4.545 504 HG1 THR 75 1HG THR 75 6.629 6.436 -5.850 505 HG21 THR 75 1HG2 THR 75 8.463 8.130 -5.321 506 HG22 THR 75 2HG2 THR 75 9.748 7.548 -6.380 507 HG23 THR 75 3HG2 THR 75 9.897 7.372 -4.632 508 H LEU 76 H LEU 76 9.716 3.760 -3.875 509 HA LEU 76 HA LEU 76 12.003 5.007 -2.837 510 HB2 LEU 76 1HB LEU 76 10.969 2.248 -2.202 511 HB3 LEU 76 2HB LEU 76 12.037 3.225 -1.196 512 HG LEU 76 HG LEU 76 9.204 3.996 -1.884 513 HD11 LEU 76 1HD1 LEU 76 9.481 1.855 -0.534 514 HD12 LEU 76 2HD1 LEU 76 8.487 3.129 0.172 515 HD13 LEU 76 3HD1 LEU 76 10.138 2.880 0.742 516 HD21 LEU 76 1HD2 LEU 76 9.511 5.845 -0.642 517 HD22 LEU 76 2HD2 LEU 76 11.215 5.584 -1.015 518 HD23 LEU 76 3HD2 LEU 76 10.551 5.021 0.520 519 H SER 77 H SER 77 11.713 1.692 -4.132 520 HA SER 77 HA SER 77 14.221 0.783 -4.092 521 HB2 SER 77 1HB SER 77 12.449 -0.485 -5.159 522 HB3 SER 77 2HB SER 77 12.372 0.673 -6.486 523 HG SER 77 HG SER 77 13.743 -1.450 -6.542 524 H LYS 78 H LYS 78 13.031 3.152 -6.442 525 HA LYS 78 HA LYS 78 15.090 3.446 -8.164 526 HB2 LYS 78 1HB LYS 78 13.629 5.716 -6.799 527 HB3 LYS 78 2HB LYS 78 14.544 5.849 -8.296 528 HG2 LYS 78 1HG LYS 78 12.229 3.962 -8.016 529 HG3 LYS 78 2HG LYS 78 12.015 5.653 -8.476 530 HD2 LYS 78 1HD LYS 78 14.041 4.064 -9.957 531 HD3 LYS 78 2HD LYS 78 12.339 3.724 -10.277 532 HE2 LYS 78 1HE LYS 78 12.691 5.370 -11.816 533 HE3 LYS 78 2HE LYS 78 12.215 6.360 -10.438 534 HZ1 LYS 78 1HZ LYS 78 15.020 5.759 -11.208 535 HZ2 LYS 78 2HZ LYS 78 14.524 6.774 -9.950 536 HZ3 LYS 78 3HZ LYS 78 14.208 7.202 -11.555 537 H SER 79 H SER 79 17.046 4.574 -8.266 538 HA SER 79 HA SER 79 18.219 5.259 -5.649 539 HB2 SER 79 1HB SER 79 19.434 3.823 -8.007 540 HB3 SER 79 2HB SER 79 20.430 4.586 -6.767 541 HG SER 79 HG SER 79 20.017 2.368 -6.328 542 H GLY 80 H GLY 80 20.228 6.688 -5.929 543 HA2 GLY 80 1HA GLY 80 20.874 8.273 -8.024 544 HA3 GLY 80 2HA GLY 80 19.400 9.018 -7.424 545 HA PRO 81 HA PRO 81 23.141 10.695 -5.147 546 HB2 PRO 81 1HB PRO 81 22.729 13.297 -5.800 547 HB3 PRO 81 2HB PRO 81 23.685 12.196 -6.799 548 HG2 PRO 81 1HG PRO 81 20.839 13.064 -7.128 549 HG3 PRO 81 2HG PRO 81 22.104 12.889 -8.358 550 HD2 PRO 81 1HD PRO 81 20.184 11.020 -7.966 551 HD3 PRO 81 2HD PRO 81 21.826 10.605 -8.499 552 H SER 82 H SER 82 19.936 10.504 -4.830 553 HA SER 82 HA SER 82 19.339 12.649 -3.051 554 HB2 SER 82 1HB SER 82 17.257 11.500 -2.638 555 HB3 SER 82 2HB SER 82 17.627 11.362 -4.356 556 HG SER 82 HG SER 82 18.187 9.378 -2.404 557 H SER 83 H SER 83 21.451 12.226 -1.845 558 HA SER 83 HA SER 83 20.783 10.819 0.608 559 HB2 SER 83 1HB SER 83 23.181 10.109 -1.089 560 HB3 SER 83 2HB SER 83 23.049 9.685 0.618 561 HG SER 83 HG SER 83 20.903 9.018 -1.022 562 H GLY 84 H GLY 84 21.665 11.747 2.396 563 HA2 GLY 84 1HA GLY 84 24.023 13.215 2.556 564 HA3 GLY 84 2HA GLY 84 22.746 14.357 2.162 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -7.684 39.032 -17.354 2 HA2 GLY 1 1HA GLY 1 -7.811 37.011 -18.461 3 HA3 GLY 1 2HA GLY 1 -6.205 36.632 -17.856 4 H SER 2 H SER 2 -9.131 35.403 -17.929 5 HA SER 2 HA SER 2 -9.090 34.452 -15.142 6 HB2 SER 2 1HB SER 2 -11.352 34.727 -17.122 7 HB3 SER 2 2HB SER 2 -11.497 33.762 -15.652 8 HG SER 2 HG SER 2 -12.119 35.656 -14.905 9 H SER 3 H SER 3 -8.655 32.378 -14.759 10 HA SER 3 HA SER 3 -8.412 30.574 -17.062 11 HB2 SER 3 1HB SER 3 -7.085 30.679 -14.370 12 HB3 SER 3 2HB SER 3 -7.128 29.167 -15.278 13 HG SER 3 HG SER 3 -6.135 31.629 -16.285 14 H GLY 4 H GLY 4 -9.698 28.850 -17.289 15 HA2 GLY 4 1HA GLY 4 -11.755 28.409 -15.263 16 HA3 GLY 4 2HA GLY 4 -11.755 27.772 -16.901 17 H SER 5 H SER 5 -10.059 27.478 -13.793 18 HA SER 5 HA SER 5 -9.327 24.728 -14.486 19 HB2 SER 5 1HB SER 5 -8.367 26.668 -12.397 20 HB3 SER 5 2HB SER 5 -8.029 24.944 -12.251 21 HG SER 5 HG SER 5 -6.366 26.110 -13.349 22 H SER 6 H SER 6 -12.041 25.182 -14.016 23 HA SER 6 HA SER 6 -12.760 24.587 -11.321 24 HB2 SER 6 1HB SER 6 -14.228 24.668 -13.936 25 HB3 SER 6 2HB SER 6 -15.001 23.953 -12.521 26 HG SER 6 HG SER 6 -14.357 26.599 -13.054 27 H GLY 7 H GLY 7 -13.990 22.615 -10.706 28 HA2 GLY 7 1HA GLY 7 -14.241 20.227 -11.857 29 HA3 GLY 7 2HA GLY 7 -12.505 20.267 -11.583 30 H ARG 8 H ARG 8 -15.576 19.698 -10.209 31 HA ARG 8 HA ARG 8 -14.294 18.974 -7.677 32 HB2 ARG 8 1HB ARG 8 -15.531 21.283 -7.673 33 HB3 ARG 8 2HB ARG 8 -16.983 20.293 -7.614 34 HG2 ARG 8 1HG ARG 8 -16.586 19.586 -5.491 35 HG3 ARG 8 2HG ARG 8 -14.833 19.689 -5.666 36 HD2 ARG 8 1HD ARG 8 -16.429 22.202 -5.738 37 HD3 ARG 8 2HD ARG 8 -16.171 21.411 -4.184 38 HE ARG 8 HE ARG 8 -13.683 21.518 -5.167 39 HH11 ARG 8 2HH1 ARG 8 -16.184 23.928 -4.925 40 HH12 ARG 8 1HH1 ARG 8 -15.076 25.250 -4.770 41 HH21 ARG 8 2HH2 ARG 8 -12.214 23.251 -4.963 42 HH22 ARG 8 1HH2 ARG 8 -12.818 24.865 -4.792 43 H TYR 9 H TYR 9 -14.937 17.051 -6.913 44 HA TYR 9 HA TYR 9 -17.532 15.957 -7.565 45 HB2 TYR 9 1HB TYR 9 -14.985 14.762 -8.653 46 HB3 TYR 9 2HB TYR 9 -16.467 13.829 -8.474 47 HD1 TYR 9 1HD TYR 9 -18.609 15.058 -9.533 48 HD2 TYR 9 2HD TYR 9 -14.572 15.687 -10.721 49 HE1 TYR 9 1HE TYR 9 -19.385 15.864 -11.723 50 HE2 TYR 9 2HE TYR 9 -15.338 16.496 -12.914 51 HH TYR 9 HH TYR 9 -17.081 16.936 -14.208 52 HA PRO 10 HA PRO 10 -17.020 14.046 -3.645 53 HB2 PRO 10 1HB PRO 10 -18.655 11.896 -3.919 54 HB3 PRO 10 2HB PRO 10 -19.261 13.547 -3.741 55 HG2 PRO 10 1HG PRO 10 -18.924 11.911 -6.225 56 HG3 PRO 10 2HG PRO 10 -20.274 12.959 -5.750 57 HD2 PRO 10 1HD PRO 10 -18.367 13.745 -7.504 58 HD3 PRO 10 2HD PRO 10 -19.179 14.878 -6.405 59 H THR 11 H THR 11 -15.479 12.797 -2.795 60 HA THR 11 HA THR 11 -13.611 11.365 -4.141 61 HB THR 11 HB THR 11 -13.495 11.913 -1.718 62 HG1 THR 11 1HG THR 11 -12.740 9.515 -1.260 63 HG21 THR 11 1HG2 THR 11 -14.821 10.981 -0.153 64 HG22 THR 11 2HG2 THR 11 -14.766 9.391 -0.914 65 HG23 THR 11 3HG2 THR 11 -15.883 10.617 -1.512 66 H ASN 12 H ASN 12 -13.318 9.314 -4.899 67 HA ASN 12 HA ASN 12 -15.529 7.406 -4.591 68 HB2 ASN 12 1HB ASN 12 -15.774 7.031 -6.860 69 HB3 ASN 12 2HB ASN 12 -15.437 8.759 -6.843 70 HD21 ASN 12 1HD2 ASN 12 -13.507 9.516 -7.640 71 HD22 ASN 12 2HD2 ASN 12 -12.413 8.527 -8.540 72 H ASN 13 H ASN 13 -12.156 7.960 -5.466 73 HA ASN 13 HA ASN 13 -11.261 5.377 -5.802 74 HB2 ASN 13 1HB ASN 13 -9.785 7.232 -6.207 75 HB3 ASN 13 2HB ASN 13 -9.872 7.736 -4.522 76 HD21 ASN 13 1HD2 ASN 13 -7.686 7.609 -4.176 77 HD22 ASN 13 2HD2 ASN 13 -6.829 6.110 -4.119 78 H PHE 14 H PHE 14 -11.634 7.174 -2.766 79 HA PHE 14 HA PHE 14 -10.552 5.416 -0.968 80 HB2 PHE 14 1HB PHE 14 -11.699 6.558 0.680 81 HB3 PHE 14 2HB PHE 14 -11.796 7.714 -0.645 82 HD1 PHE 14 2HD PHE 14 -13.918 6.973 -2.295 83 HD2 PHE 14 1HD PHE 14 -13.613 6.483 1.922 84 HE1 PHE 14 2HE PHE 14 -16.372 6.964 -2.123 85 HE2 PHE 14 1HE PHE 14 -16.067 6.472 2.101 86 HZ PHE 14 HZ PHE 14 -17.450 6.714 0.078 87 H GLY 15 H GLY 15 -11.912 4.104 0.687 88 HA2 GLY 15 1HA GLY 15 -13.457 2.425 1.139 89 HA3 GLY 15 2HA GLY 15 -14.172 2.694 -0.444 90 H ASN 16 H ASN 16 -11.671 2.405 -1.888 91 HA ASN 16 HA ASN 16 -11.141 -0.460 -1.462 92 HB2 ASN 16 1HB ASN 16 -11.091 0.649 -4.232 93 HB3 ASN 16 2HB ASN 16 -11.469 -0.981 -3.683 94 HD21 ASN 16 1HD2 ASN 16 -13.452 -0.729 -1.967 95 HD22 ASN 16 2HD2 ASN 16 -14.831 0.023 -2.686 96 H CYS 17 H CYS 17 -9.108 -1.205 -2.495 97 HA CYS 17 HA CYS 17 -6.874 -0.003 -1.587 98 HB2 CYS 17 1HB CYS 17 -6.999 -2.240 -2.714 99 HB3 CYS 17 2HB CYS 17 -6.987 -1.405 -4.264 100 H THR 18 H THR 18 -5.142 1.216 -2.602 101 HA THR 18 HA THR 18 -6.214 3.415 -4.189 102 HB THR 18 HB THR 18 -3.470 3.170 -2.946 103 HG1 THR 18 1HG THR 18 -4.651 4.789 -1.468 104 HG21 THR 18 1HG2 THR 18 -3.698 5.728 -3.081 105 HG22 THR 18 2HG2 THR 18 -4.995 5.415 -4.234 106 HG23 THR 18 3HG2 THR 18 -3.358 4.853 -4.573 107 H GLY 19 H GLY 19 -4.823 0.514 -4.841 108 HA2 GLY 19 1HA GLY 19 -3.450 1.557 -7.242 109 HA3 GLY 19 2HA GLY 19 -2.977 0.080 -6.414 110 H CYS 20 H CYS 20 -5.000 -1.470 -6.160 111 HA CYS 20 HA CYS 20 -6.051 -1.804 -8.880 112 HB2 CYS 20 1HB CYS 20 -6.418 -4.159 -8.242 113 HB3 CYS 20 2HB CYS 20 -4.736 -3.680 -8.043 114 H SER 21 H SER 21 -7.124 -0.110 -6.581 115 HA SER 21 HA SER 21 -9.099 0.248 -5.440 116 HB2 SER 21 1HB SER 21 -10.939 0.592 -6.966 117 HB3 SER 21 2HB SER 21 -9.448 1.059 -7.784 118 HG SER 21 HG SER 21 -9.634 -1.380 -8.428 119 H ALA 22 H ALA 22 -8.156 -2.510 -5.248 120 HA ALA 22 HA ALA 22 -10.291 -4.334 -5.570 121 HB1 ALA 22 1HB ALA 22 -8.861 -5.528 -3.658 122 HB2 ALA 22 2HB ALA 22 -8.357 -5.494 -5.347 123 HB3 ALA 22 3HB ALA 22 -7.669 -4.345 -4.199 124 H THR 23 H THR 23 -12.204 -3.778 -4.661 125 HA THR 23 HA THR 23 -12.666 -2.420 -2.306 126 HB THR 23 HB THR 23 -14.427 -4.655 -3.318 127 HG1 THR 23 1HG THR 23 -14.861 -3.435 -4.988 128 HG21 THR 23 1HG2 THR 23 -15.671 -4.008 -1.572 129 HG22 THR 23 2HG2 THR 23 -15.989 -2.534 -2.487 130 HG23 THR 23 3HG2 THR 23 -14.685 -2.572 -1.301 131 H PHE 24 H PHE 24 -13.076 -3.006 -0.177 132 HA PHE 24 HA PHE 24 -11.999 -5.632 0.599 133 HB2 PHE 24 1HB PHE 24 -12.290 -3.247 2.419 134 HB3 PHE 24 2HB PHE 24 -11.291 -4.677 2.652 135 HD1 PHE 24 1HD PHE 24 -9.181 -4.927 1.480 136 HD2 PHE 24 2HD PHE 24 -11.575 -1.441 1.000 137 HE1 PHE 24 1HE PHE 24 -7.265 -3.754 0.475 138 HE2 PHE 24 2HE PHE 24 -9.665 -0.263 -0.007 139 HZ PHE 24 HZ PHE 24 -7.506 -1.419 -0.271 140 H SER 25 H SER 25 -13.576 -7.046 0.968 141 HA SER 25 HA SER 25 -15.861 -6.177 2.608 142 HB2 SER 25 1HB SER 25 -15.876 -7.833 0.092 143 HB3 SER 25 2HB SER 25 -17.183 -7.945 1.270 144 HG SER 25 HG SER 25 -16.849 -6.128 -0.624 145 H VAL 26 H VAL 26 -14.646 -9.244 1.253 146 HA VAL 26 HA VAL 26 -14.374 -10.275 3.992 147 HB VAL 26 HB VAL 26 -16.513 -11.098 3.155 148 HG11 VAL 26 1HG1 VAL 26 -15.719 -10.952 0.715 149 HG12 VAL 26 2HG1 VAL 26 -15.073 -12.573 0.977 150 HG13 VAL 26 3HG1 VAL 26 -16.802 -12.271 1.160 151 HG21 VAL 26 1HG2 VAL 26 -16.117 -12.991 4.248 152 HG22 VAL 26 2HG2 VAL 26 -15.197 -13.631 2.886 153 HG23 VAL 26 3HG2 VAL 26 -14.388 -12.665 4.120 154 H LEU 27 H LEU 27 -13.774 -11.019 0.559 155 HA LEU 27 HA LEU 27 -11.430 -12.582 1.262 156 HB2 LEU 27 1HB LEU 27 -12.938 -12.035 -1.258 157 HB3 LEU 27 2HB LEU 27 -11.296 -12.669 -1.342 158 HG LEU 27 HG LEU 27 -13.618 -14.007 0.046 159 HD11 LEU 27 1HD1 LEU 27 -12.393 -15.352 -2.225 160 HD12 LEU 27 2HD1 LEU 27 -13.165 -13.827 -2.658 161 HD13 LEU 27 3HD1 LEU 27 -14.094 -15.086 -1.846 162 HD21 LEU 27 1HD2 LEU 27 -11.402 -15.710 -0.561 163 HD22 LEU 27 2HD2 LEU 27 -12.140 -15.357 1.001 164 HD23 LEU 27 3HD2 LEU 27 -10.844 -14.330 0.386 165 H LYS 28 H LYS 28 -11.274 -9.850 1.962 166 HA LYS 28 HA LYS 28 -8.752 -9.186 0.890 167 HB2 LYS 28 1HB LYS 28 -10.567 -8.528 -0.930 168 HB3 LYS 28 2HB LYS 28 -10.742 -7.110 0.095 169 HG2 LYS 28 1HG LYS 28 -9.156 -6.352 -1.344 170 HG3 LYS 28 2HG LYS 28 -8.114 -7.063 -0.109 171 HD2 LYS 28 1HD LYS 28 -7.308 -7.782 -2.238 172 HD3 LYS 28 2HD LYS 28 -8.085 -9.166 -1.467 173 HE2 LYS 28 1HE LYS 28 -9.964 -9.028 -2.859 174 HE3 LYS 28 2HE LYS 28 -9.579 -7.383 -3.363 175 HZ1 LYS 28 1HZ LYS 28 -8.989 -8.712 -5.165 176 HZ2 LYS 28 2HZ LYS 28 -8.286 -9.906 -4.195 177 HZ3 LYS 28 3HZ LYS 28 -7.513 -8.414 -4.392 178 H LYS 29 H LYS 29 -7.731 -8.128 2.453 179 HA LYS 29 HA LYS 29 -9.343 -6.629 4.408 180 HB2 LYS 29 1HB LYS 29 -7.492 -7.019 5.988 181 HB3 LYS 29 2HB LYS 29 -8.172 -8.524 5.384 182 HG2 LYS 29 1HG LYS 29 -6.216 -8.254 3.612 183 HG3 LYS 29 2HG LYS 29 -5.499 -7.329 4.934 184 HD2 LYS 29 1HD LYS 29 -5.300 -9.159 6.288 185 HD3 LYS 29 2HD LYS 29 -6.698 -9.971 5.578 186 HE2 LYS 29 1HE LYS 29 -5.366 -10.400 3.541 187 HE3 LYS 29 2HE LYS 29 -3.970 -9.662 4.326 188 HZ1 LYS 29 1HZ LYS 29 -4.717 -11.487 6.141 189 HZ2 LYS 29 2HZ LYS 29 -3.541 -11.753 4.955 190 HZ3 LYS 29 3HZ LYS 29 -5.127 -12.283 4.705 191 H ARG 30 H ARG 30 -9.029 -4.505 4.642 192 HA ARG 30 HA ARG 30 -7.271 -3.118 2.868 193 HB2 ARG 30 1HB ARG 30 -9.589 -2.420 3.953 194 HB3 ARG 30 2HB ARG 30 -8.539 -1.739 5.188 195 HG2 ARG 30 1HG ARG 30 -7.724 -0.126 3.806 196 HG3 ARG 30 2HG ARG 30 -7.926 -1.110 2.356 197 HD2 ARG 30 1HD ARG 30 -9.630 0.349 2.008 198 HD3 ARG 30 2HD ARG 30 -10.491 -0.822 3.007 199 HE ARG 30 HE ARG 30 -9.703 1.864 3.749 200 HH11 ARG 30 2HH1 ARG 30 -10.809 -1.258 4.819 201 HH12 ARG 30 1HH1 ARG 30 -11.440 -0.665 6.320 202 HH21 ARG 30 2HH2 ARG 30 -10.529 2.657 5.722 203 HH22 ARG 30 1HH2 ARG 30 -11.281 1.562 6.832 204 H ARG 31 H ARG 31 -5.139 -3.221 3.227 205 HA ARG 31 HA ARG 31 -4.084 -3.214 5.931 206 HB2 ARG 31 1HB ARG 31 -2.968 -3.697 3.207 207 HB3 ARG 31 2HB ARG 31 -1.864 -3.193 4.479 208 HG2 ARG 31 1HG ARG 31 -2.273 -5.113 5.753 209 HG3 ARG 31 2HG ARG 31 -3.731 -5.509 4.842 210 HD2 ARG 31 1HD ARG 31 -2.362 -5.965 2.862 211 HD3 ARG 31 2HD ARG 31 -0.908 -5.574 3.780 212 HE ARG 31 HE ARG 31 -2.462 -8.005 3.926 213 HH11 ARG 31 2HH1 ARG 31 -0.094 -5.974 5.472 214 HH12 ARG 31 1HH1 ARG 31 0.566 -7.254 6.435 215 HH21 ARG 31 2HH2 ARG 31 -1.601 -9.698 5.188 216 HH22 ARG 31 1HH2 ARG 31 -0.291 -9.372 6.272 217 H SER 32 H SER 32 -1.826 -1.848 5.914 218 HA SER 32 HA SER 32 -2.428 0.869 4.983 219 HB2 SER 32 1HB SER 32 -1.580 0.150 7.800 220 HB3 SER 32 2HB SER 32 -1.731 1.790 7.170 221 HG SER 32 HG SER 32 -3.805 1.681 7.465 222 H CYS 33 H CYS 33 -0.780 1.602 3.835 223 HA CYS 33 HA CYS 33 1.667 0.319 3.533 224 HB2 CYS 33 1HB CYS 33 0.685 1.984 1.949 225 HB3 CYS 33 2HB CYS 33 1.130 3.260 3.077 226 H SER 34 H SER 34 3.840 1.253 4.005 227 HA SER 34 HA SER 34 3.921 2.133 6.804 228 HB2 SER 34 1HB SER 34 5.720 0.497 5.082 229 HB3 SER 34 2HB SER 34 6.468 1.467 6.351 230 HG SER 34 HG SER 34 5.477 0.295 7.861 231 H ASN 35 H ASN 35 4.940 2.987 3.572 232 HA ASN 35 HA ASN 35 6.551 5.215 4.489 233 HB2 ASN 35 1HB ASN 35 7.324 4.033 2.528 234 HB3 ASN 35 2HB ASN 35 5.779 4.278 1.719 235 HD21 ASN 35 1HD2 ASN 35 6.220 5.549 0.055 236 HD22 ASN 35 2HD2 ASN 35 7.052 7.061 0.139 237 H CYS 36 H CYS 36 4.029 5.170 1.986 238 HA CYS 36 HA CYS 36 3.303 7.866 2.422 239 HB2 CYS 36 1HB CYS 36 1.584 7.510 0.803 240 HB3 CYS 36 2HB CYS 36 2.971 6.555 0.292 241 H GLY 37 H GLY 37 2.026 4.811 3.609 242 HA2 GLY 37 1HA GLY 37 0.744 4.433 5.501 243 HA3 GLY 37 2HA GLY 37 0.684 6.170 5.766 244 H ASN 38 H ASN 38 -0.307 4.456 2.844 245 HA ASN 38 HA ASN 38 -3.025 5.494 3.267 246 HB2 ASN 38 1HB ASN 38 -1.799 4.563 0.665 247 HB3 ASN 38 2HB ASN 38 -3.313 5.437 0.876 248 HD21 ASN 38 1HD2 ASN 38 -1.037 6.157 -0.737 249 HD22 ASN 38 2HD2 ASN 38 -0.482 7.687 -0.157 250 H SER 39 H SER 39 -4.686 4.077 1.958 251 HA SER 39 HA SER 39 -4.577 1.453 3.175 252 HB2 SER 39 1HB SER 39 -6.753 2.647 1.443 253 HB3 SER 39 2HB SER 39 -6.893 1.238 2.494 254 HG SER 39 HG SER 39 -6.442 2.667 4.264 255 H PHE 40 H PHE 40 -4.348 -0.469 2.154 256 HA PHE 40 HA PHE 40 -4.420 -0.620 -0.744 257 HB2 PHE 40 1HB PHE 40 -1.907 -1.081 0.861 258 HB3 PHE 40 2HB PHE 40 -2.137 -1.757 -0.749 259 HD1 PHE 40 1HD PHE 40 -2.552 -0.168 -2.670 260 HD2 PHE 40 2HD PHE 40 -1.182 1.119 1.149 261 HE1 PHE 40 1HE PHE 40 -1.753 1.934 -3.669 262 HE2 PHE 40 2HE PHE 40 -0.381 3.223 0.156 263 HZ PHE 40 HZ PHE 40 -0.667 3.633 -2.256 264 H CYS 41 H CYS 41 -4.022 -2.917 -1.485 265 HA CYS 41 HA CYS 41 -5.519 -4.692 0.260 266 HB2 CYS 41 1HB CYS 41 -5.615 -6.179 -1.697 267 HB3 CYS 41 2HB CYS 41 -6.156 -4.551 -2.097 268 H SER 42 H SER 42 -4.689 -7.160 -0.243 269 HA SER 42 HA SER 42 -2.154 -7.278 1.155 270 HB2 SER 42 1HB SER 42 -4.064 -8.721 1.826 271 HB3 SER 42 2HB SER 42 -3.963 -9.538 0.267 272 HG SER 42 HG SER 42 -2.583 -10.042 2.478 273 H ARG 43 H ARG 43 -2.657 -6.669 -1.870 274 HA ARG 43 HA ARG 43 -0.594 -8.524 -2.866 275 HB2 ARG 43 1HB ARG 43 -2.802 -8.861 -3.938 276 HB3 ARG 43 2HB ARG 43 -2.781 -7.184 -4.466 277 HG2 ARG 43 1HG ARG 43 -1.125 -7.559 -6.033 278 HG3 ARG 43 2HG ARG 43 -0.549 -9.018 -5.224 279 HD2 ARG 43 1HD ARG 43 -2.574 -10.199 -5.884 280 HD3 ARG 43 2HD ARG 43 -3.192 -8.737 -6.651 281 HE ARG 43 HE ARG 43 -0.841 -9.117 -7.912 282 HH11 ARG 43 2HH1 ARG 43 -3.538 -11.219 -7.255 283 HH12 ARG 43 1HH1 ARG 43 -3.304 -12.179 -8.678 284 HH21 ARG 43 2HH2 ARG 43 -0.523 -10.374 -9.789 285 HH22 ARG 43 1HH2 ARG 43 -1.589 -11.698 -10.118 286 H CYS 44 H CYS 44 -1.698 -5.239 -2.594 287 HA CYS 44 HA CYS 44 0.472 -4.228 -4.256 288 HB2 CYS 44 1HB CYS 44 -1.834 -2.893 -2.840 289 HB3 CYS 44 2HB CYS 44 -0.556 -1.982 -3.638 290 H CYS 45 H CYS 45 -0.531 -4.325 -0.883 291 HA CYS 45 HA CYS 45 1.842 -2.835 -0.069 292 HB2 CYS 45 1HB CYS 45 -0.360 -2.328 0.970 293 HB3 CYS 45 2HB CYS 45 -0.395 -3.958 1.630 294 HG CYS 45 HG CYS 45 2.439 -2.645 2.531 295 H SER 46 H SER 46 2.433 -5.266 -1.254 296 HA SER 46 HA SER 46 3.354 -6.861 1.047 297 HB2 SER 46 1HB SER 46 2.116 -7.687 -1.524 298 HB3 SER 46 2HB SER 46 3.438 -8.687 -0.923 299 HG SER 46 HG SER 46 1.484 -7.954 0.913 300 H PHE 47 H PHE 47 4.820 -4.704 0.107 301 HA PHE 47 HA PHE 47 7.059 -6.025 -1.280 302 HB2 PHE 47 1HB PHE 47 6.108 -3.165 -1.407 303 HB3 PHE 47 2HB PHE 47 7.707 -3.655 -1.958 304 HD1 PHE 47 2HD PHE 47 7.949 -5.135 -3.902 305 HD2 PHE 47 1HD PHE 47 4.152 -3.653 -2.675 306 HE1 PHE 47 2HE PHE 47 7.009 -5.740 -6.093 307 HE2 PHE 47 1HE PHE 47 3.205 -4.257 -4.865 308 HZ PHE 47 HZ PHE 47 4.634 -5.301 -6.577 309 H LYS 48 H LYS 48 8.722 -6.402 0.010 310 HA LYS 48 HA LYS 48 8.987 -5.041 2.542 311 HB2 LYS 48 1HB LYS 48 10.545 -7.242 1.195 312 HB3 LYS 48 2HB LYS 48 11.051 -6.536 2.724 313 HG2 LYS 48 1HG LYS 48 8.810 -7.157 3.651 314 HG3 LYS 48 2HG LYS 48 8.511 -8.041 2.153 315 HD2 LYS 48 1HD LYS 48 9.334 -9.704 3.530 316 HD3 LYS 48 2HD LYS 48 10.794 -9.177 2.690 317 HE2 LYS 48 1HE LYS 48 11.393 -7.769 4.583 318 HE3 LYS 48 2HE LYS 48 9.909 -8.232 5.415 319 HZ1 LYS 48 1HZ LYS 48 11.120 -9.847 6.314 320 HZ2 LYS 48 2HZ LYS 48 12.400 -9.627 5.231 321 HZ3 LYS 48 3HZ LYS 48 11.089 -10.608 4.803 322 H VAL 49 H VAL 49 9.982 -3.155 2.742 323 HA VAL 49 HA VAL 49 12.414 -2.657 1.179 324 HB VAL 49 HB VAL 49 11.770 -0.385 0.676 325 HG11 VAL 49 1HG1 VAL 49 10.316 -0.816 -1.077 326 HG12 VAL 49 2HG1 VAL 49 10.992 -2.411 -0.739 327 HG13 VAL 49 3HG1 VAL 49 9.383 -1.990 -0.149 328 HG21 VAL 49 1HG2 VAL 49 10.011 0.718 1.558 329 HG22 VAL 49 2HG2 VAL 49 8.959 -0.697 1.505 330 HG23 VAL 49 3HG2 VAL 49 10.128 -0.515 2.813 331 HA PRO 50 HA PRO 50 14.100 -1.281 4.996 332 HB2 PRO 50 1HB PRO 50 15.967 0.476 4.102 333 HB3 PRO 50 2HB PRO 50 16.141 -1.276 3.940 334 HG2 PRO 50 1HG PRO 50 15.235 0.734 1.914 335 HG3 PRO 50 2HG PRO 50 16.337 -0.641 1.711 336 HD2 PRO 50 1HD PRO 50 13.739 -0.731 0.950 337 HD3 PRO 50 2HD PRO 50 14.611 -2.160 1.541 338 H LYS 51 H LYS 51 13.406 0.127 6.473 339 HA LYS 51 HA LYS 51 11.991 2.511 5.641 340 HB2 LYS 51 1HB LYS 51 11.405 2.731 8.013 341 HB3 LYS 51 2HB LYS 51 11.052 1.116 7.413 342 HG2 LYS 51 1HG LYS 51 12.664 0.135 8.689 343 HG3 LYS 51 2HG LYS 51 13.686 1.575 8.703 344 HD2 LYS 51 1HD LYS 51 12.896 1.479 10.885 345 HD3 LYS 51 2HD LYS 51 11.789 2.620 10.117 346 HE2 LYS 51 1HE LYS 51 10.236 0.689 9.718 347 HE3 LYS 51 2HE LYS 51 11.305 -0.294 10.718 348 HZ1 LYS 51 1HZ LYS 51 10.740 2.050 12.121 349 HZ2 LYS 51 2HZ LYS 51 10.261 0.471 12.495 350 HZ3 LYS 51 3HZ LYS 51 9.268 1.452 11.539 351 H SER 52 H SER 52 14.998 1.667 7.238 352 HA SER 52 HA SER 52 15.852 3.906 8.451 353 HB2 SER 52 1HB SER 52 18.158 3.391 7.590 354 HB3 SER 52 2HB SER 52 17.314 2.002 8.274 355 HG SER 52 HG SER 52 16.836 1.318 6.177 356 H SER 53 H SER 53 16.049 3.396 4.933 357 HA SER 53 HA SER 53 17.166 5.832 4.226 358 HB2 SER 53 1HB SER 53 15.219 4.064 2.737 359 HB3 SER 53 2HB SER 53 15.988 5.474 2.010 360 HG SER 53 HG SER 53 17.855 4.450 1.953 361 H MET 54 H MET 54 13.700 4.991 4.299 362 HA MET 54 HA MET 54 12.682 7.489 3.653 363 HB2 MET 54 1HB MET 54 11.563 5.273 5.364 364 HB3 MET 54 2HB MET 54 10.644 6.723 4.981 365 HG2 MET 54 1HG MET 54 9.920 5.263 3.368 366 HG3 MET 54 2HG MET 54 11.206 6.122 2.524 367 HE1 MET 54 1HE MET 54 9.875 2.493 2.819 368 HE2 MET 54 2HE MET 54 11.080 1.792 3.900 369 HE3 MET 54 3HE MET 54 10.076 3.135 4.449 370 H GLY 55 H GLY 55 12.053 9.287 4.821 371 HA2 GLY 55 1HA GLY 55 12.032 10.810 6.544 372 HA3 GLY 55 2HA GLY 55 12.160 9.453 7.653 373 H ALA 56 H ALA 56 13.855 9.622 8.943 374 HA ALA 56 HA ALA 56 16.397 10.569 7.806 375 HB1 ALA 56 1HB ALA 56 16.461 12.335 9.143 376 HB2 ALA 56 2HB ALA 56 14.841 11.939 9.718 377 HB3 ALA 56 3HB ALA 56 16.255 11.304 10.559 378 H THR 57 H THR 57 17.772 8.925 7.900 379 HA THR 57 HA THR 57 17.602 6.548 9.150 380 HB THR 57 HB THR 57 20.150 6.553 9.290 381 HG1 THR 57 1HG THR 57 21.103 8.371 8.165 382 HG21 THR 57 1HG2 THR 57 18.797 5.781 7.325 383 HG22 THR 57 2HG2 THR 57 20.407 6.373 6.915 384 HG23 THR 57 3HG2 THR 57 18.995 7.390 6.632 385 H ALA 58 H ALA 58 17.622 5.767 11.161 386 HA ALA 58 HA ALA 58 18.610 7.509 13.324 387 HB1 ALA 58 1HB ALA 58 15.986 6.710 12.934 388 HB2 ALA 58 2HB ALA 58 16.587 5.628 14.191 389 HB3 ALA 58 3HB ALA 58 16.675 7.375 14.415 390 HA PRO 59 HA PRO 59 21.141 4.210 14.724 391 HB2 PRO 59 1HB PRO 59 21.005 4.498 17.420 392 HB3 PRO 59 2HB PRO 59 21.886 5.621 16.378 393 HG2 PRO 59 1HG PRO 59 19.151 5.888 17.564 394 HG3 PRO 59 2HG PRO 59 20.437 7.101 17.434 395 HD2 PRO 59 1HD PRO 59 18.333 7.020 15.731 396 HD3 PRO 59 2HD PRO 59 19.946 7.569 15.231 397 H GLU 60 H GLU 60 17.853 4.124 15.064 398 HA GLU 60 HA GLU 60 17.807 1.653 16.632 399 HB2 GLU 60 1HB GLU 60 15.536 3.347 15.577 400 HB3 GLU 60 2HB GLU 60 15.354 1.919 16.586 401 HG2 GLU 60 1HG GLU 60 17.040 4.174 17.553 402 HG3 GLU 60 2HG GLU 60 15.285 4.311 17.626 403 H ALA 61 H ALA 61 16.850 2.907 13.458 404 HA ALA 61 HA ALA 61 16.631 0.125 12.508 405 HB1 ALA 61 1HB ALA 61 14.513 0.987 12.182 406 HB2 ALA 61 2HB ALA 61 15.115 2.595 11.778 407 HB3 ALA 61 3HB ALA 61 15.274 1.277 10.617 408 H GLN 62 H GLN 62 18.279 -0.496 11.289 409 HA GLN 62 HA GLN 62 19.613 1.513 9.596 410 HB2 GLN 62 1HB GLN 62 20.865 -0.908 10.903 411 HB3 GLN 62 2HB GLN 62 21.694 0.249 9.871 412 HG2 GLN 62 1HG GLN 62 20.317 1.157 12.362 413 HG3 GLN 62 2HG GLN 62 21.925 0.439 12.432 414 HE21 GLN 62 1HE2 GLN 62 22.847 2.356 13.150 415 HE22 GLN 62 2HE2 GLN 62 23.083 3.712 12.106 416 H ARG 63 H ARG 63 18.784 -1.920 9.922 417 HA ARG 63 HA ARG 63 18.653 -2.075 6.987 418 HB2 ARG 63 1HB ARG 63 19.394 -4.506 7.281 419 HB3 ARG 63 2HB ARG 63 20.626 -3.263 7.459 420 HG2 ARG 63 1HG ARG 63 21.129 -4.511 9.277 421 HG3 ARG 63 2HG ARG 63 19.911 -3.464 10.008 422 HD2 ARG 63 1HD ARG 63 19.509 -5.782 10.609 423 HD3 ARG 63 2HD ARG 63 18.205 -5.175 9.589 424 HE ARG 63 HE ARG 63 19.783 -6.324 7.778 425 HH11 ARG 63 2HH1 ARG 63 18.675 -7.457 10.877 426 HH12 ARG 63 1HH1 ARG 63 18.694 -9.128 10.419 427 HH21 ARG 63 2HH2 ARG 63 19.813 -8.521 7.163 428 HH22 ARG 63 1HH2 ARG 63 19.343 -9.732 8.307 429 H GLU 64 H GLU 64 16.631 -1.676 9.147 430 HA GLU 64 HA GLU 64 15.133 -4.043 9.495 431 HB2 GLU 64 1HB GLU 64 15.005 -1.674 10.668 432 HB3 GLU 64 2HB GLU 64 13.782 -1.382 9.439 433 HG2 GLU 64 1HG GLU 64 12.846 -2.167 11.574 434 HG3 GLU 64 2HG GLU 64 12.472 -3.232 10.221 435 H THR 65 H THR 65 12.870 -4.312 8.652 436 HA THR 65 HA THR 65 12.636 -3.437 5.853 437 HB THR 65 HB THR 65 11.643 -5.723 5.361 438 HG1 THR 65 1HG THR 65 12.001 -7.341 6.806 439 HG21 THR 65 1HG2 THR 65 13.712 -5.427 4.380 440 HG22 THR 65 2HG2 THR 65 14.028 -6.812 5.426 441 HG23 THR 65 3HG2 THR 65 14.529 -5.197 5.925 442 H VAL 66 H VAL 66 10.636 -2.830 5.214 443 HA VAL 66 HA VAL 66 8.377 -3.377 7.018 444 HB VAL 66 HB VAL 66 7.534 -1.105 6.700 445 HG11 VAL 66 1HG1 VAL 66 8.875 -1.524 8.661 446 HG12 VAL 66 2HG1 VAL 66 10.358 -1.227 7.752 447 HG13 VAL 66 3HG1 VAL 66 9.225 0.092 8.049 448 HG21 VAL 66 1HG2 VAL 66 10.046 -0.009 5.668 449 HG22 VAL 66 2HG2 VAL 66 9.162 -1.007 4.513 450 HG23 VAL 66 3HG2 VAL 66 8.379 0.389 5.254 451 H PHE 67 H PHE 67 6.246 -2.886 5.950 452 HA PHE 67 HA PHE 67 6.340 -3.861 3.185 453 HB2 PHE 67 1HB PHE 67 4.210 -3.941 5.315 454 HB3 PHE 67 2HB PHE 67 3.848 -4.287 3.627 455 HD1 PHE 67 2HD PHE 67 5.819 -5.943 2.603 456 HD2 PHE 67 1HD PHE 67 4.383 -5.813 6.608 457 HE1 PHE 67 2HE PHE 67 6.529 -8.276 2.930 458 HE2 PHE 67 1HE PHE 67 5.092 -8.146 6.941 459 HZ PHE 67 HZ PHE 67 6.165 -9.381 5.101 460 H VAL 68 H VAL 68 5.921 -2.522 1.567 461 HA VAL 68 HA VAL 68 4.311 -0.112 2.109 462 HB VAL 68 HB VAL 68 5.652 1.134 0.512 463 HG11 VAL 68 1HG1 VAL 68 6.455 1.437 2.673 464 HG12 VAL 68 2HG1 VAL 68 7.080 -0.211 2.777 465 HG13 VAL 68 3HG1 VAL 68 7.900 0.983 1.768 466 HG21 VAL 68 1HG2 VAL 68 7.698 0.192 -0.445 467 HG22 VAL 68 2HG2 VAL 68 7.324 -1.369 0.287 468 HG23 VAL 68 3HG2 VAL 68 6.273 -0.708 -0.965 469 H CYS 69 H CYS 69 3.493 0.875 -0.013 470 HA CYS 69 HA CYS 69 2.136 -1.240 -1.472 471 HB2 CYS 69 1HB CYS 69 0.679 0.478 -2.300 472 HB3 CYS 69 2HB CYS 69 0.920 0.765 -0.580 473 H ALA 70 H ALA 70 2.276 -1.600 -3.662 474 HA ALA 70 HA ALA 70 4.610 -1.519 -4.989 475 HB1 ALA 70 1HB ALA 70 1.873 -1.881 -5.735 476 HB2 ALA 70 2HB ALA 70 2.714 -0.981 -6.997 477 HB3 ALA 70 3HB ALA 70 3.327 -2.550 -6.476 478 H SER 71 H SER 71 2.139 1.037 -5.242 479 HA SER 71 HA SER 71 3.353 2.752 -6.986 480 HB2 SER 71 1HB SER 71 1.105 3.065 -5.902 481 HB3 SER 71 2HB SER 71 1.942 3.660 -4.468 482 HG SER 71 HG SER 71 2.159 5.509 -5.423 483 H CYS 72 H CYS 72 4.000 2.424 -3.524 484 HA CYS 72 HA CYS 72 5.970 4.521 -3.514 485 HB2 CYS 72 1HB CYS 72 5.167 2.451 -1.467 486 HB3 CYS 72 2HB CYS 72 6.433 3.642 -1.185 487 H ASN 73 H ASN 73 6.178 1.014 -2.879 488 HA ASN 73 HA ASN 73 8.811 0.582 -2.702 489 HB2 ASN 73 1HB ASN 73 7.190 -1.242 -2.699 490 HB3 ASN 73 2HB ASN 73 6.916 -1.029 -4.426 491 HD21 ASN 73 1HD2 ASN 73 8.718 -1.431 -5.860 492 HD22 ASN 73 2HD2 ASN 73 9.904 -2.607 -5.418 493 H GLN 74 H GLN 74 7.102 1.251 -5.722 494 HA GLN 74 HA GLN 74 9.317 0.888 -7.438 495 HB2 GLN 74 1HB GLN 74 6.664 2.248 -7.675 496 HB3 GLN 74 2HB GLN 74 7.877 2.514 -8.920 497 HG2 GLN 74 1HG GLN 74 6.514 0.756 -9.683 498 HG3 GLN 74 2HG GLN 74 8.026 0.017 -9.157 499 HE21 GLN 74 1HE2 GLN 74 4.706 -0.114 -8.969 500 HE22 GLN 74 2HE2 GLN 74 4.554 -1.165 -7.606 501 H THR 75 H THR 75 7.933 3.786 -5.926 502 HA THR 75 HA THR 75 9.798 5.599 -7.055 503 HB THR 75 HB THR 75 8.106 5.879 -4.563 504 HG1 THR 75 1HG THR 75 7.597 6.081 -7.254 505 HG21 THR 75 1HG2 THR 75 8.523 8.401 -5.522 506 HG22 THR 75 2HG2 THR 75 10.086 7.641 -5.820 507 HG23 THR 75 3HG2 THR 75 9.416 7.670 -4.190 508 H LEU 76 H LEU 76 9.575 4.133 -3.815 509 HA LEU 76 HA LEU 76 11.803 5.269 -2.653 510 HB2 LEU 76 1HB LEU 76 10.842 2.434 -2.299 511 HB3 LEU 76 2HB LEU 76 11.874 3.327 -1.183 512 HG LEU 76 HG LEU 76 9.036 4.100 -1.850 513 HD11 LEU 76 1HD1 LEU 76 8.614 3.254 0.502 514 HD12 LEU 76 2HD1 LEU 76 10.163 2.421 0.373 515 HD13 LEU 76 3HD1 LEU 76 8.856 2.030 -0.745 516 HD21 LEU 76 1HD2 LEU 76 10.473 4.946 0.608 517 HD22 LEU 76 2HD2 LEU 76 9.233 5.783 -0.325 518 HD23 LEU 76 3HD2 LEU 76 10.896 5.733 -0.913 519 H SER 77 H SER 77 11.697 2.108 -4.307 520 HA SER 77 HA SER 77 14.303 1.369 -4.211 521 HB2 SER 77 1HB SER 77 13.960 0.116 -6.248 522 HB3 SER 77 2HB SER 77 12.455 0.099 -5.329 523 HG SER 77 HG SER 77 12.362 0.604 -7.681 524 H LYS 78 H LYS 78 12.890 3.687 -6.485 525 HA LYS 78 HA LYS 78 15.338 4.173 -7.872 526 HB2 LYS 78 1HB LYS 78 12.624 5.426 -7.835 527 HB3 LYS 78 2HB LYS 78 13.956 6.307 -8.571 528 HG2 LYS 78 1HG LYS 78 14.334 4.538 -10.145 529 HG3 LYS 78 2HG LYS 78 13.148 3.510 -9.337 530 HD2 LYS 78 1HD LYS 78 11.966 4.358 -11.152 531 HD3 LYS 78 2HD LYS 78 11.489 5.426 -9.831 532 HE2 LYS 78 1HE LYS 78 12.811 7.178 -10.610 533 HE3 LYS 78 2HE LYS 78 13.812 6.112 -11.594 534 HZ1 LYS 78 1HZ LYS 78 11.560 7.558 -12.377 535 HZ2 LYS 78 2HZ LYS 78 11.153 5.919 -12.469 536 HZ3 LYS 78 3HZ LYS 78 12.498 6.505 -13.312 537 H SER 79 H SER 79 16.068 6.583 -8.049 538 HA SER 79 HA SER 79 17.450 7.298 -5.809 539 HB2 SER 79 1HB SER 79 16.489 8.859 -8.174 540 HB3 SER 79 2HB SER 79 17.254 9.721 -6.840 541 HG SER 79 HG SER 79 19.072 8.375 -7.104 542 H GLY 80 H GLY 80 14.315 8.669 -6.815 543 HA2 GLY 80 1HA GLY 80 12.651 9.681 -5.601 544 HA3 GLY 80 2HA GLY 80 13.251 8.773 -4.221 545 HA PRO 81 HA PRO 81 15.445 13.119 -4.360 546 HB2 PRO 81 1HB PRO 81 14.025 15.030 -5.664 547 HB3 PRO 81 2HB PRO 81 15.262 14.046 -6.454 548 HG2 PRO 81 1HG PRO 81 12.286 13.726 -6.479 549 HG3 PRO 81 2HG PRO 81 13.439 13.577 -7.818 550 HD2 PRO 81 1HD PRO 81 12.412 11.426 -6.534 551 HD3 PRO 81 2HD PRO 81 14.049 11.436 -7.221 552 H SER 82 H SER 82 12.017 12.561 -4.139 553 HA SER 82 HA SER 82 11.803 14.569 -1.999 554 HB2 SER 82 1HB SER 82 10.206 14.852 -3.852 555 HB3 SER 82 2HB SER 82 9.604 13.216 -3.584 556 HG SER 82 HG SER 82 9.143 14.002 -1.371 557 H SER 83 H SER 83 10.824 14.019 -0.023 558 HA SER 83 HA SER 83 11.607 11.830 1.302 559 HB2 SER 83 1HB SER 83 9.693 12.118 2.836 560 HB3 SER 83 2HB SER 83 10.405 13.668 2.388 561 HG SER 83 HG SER 83 8.678 14.137 1.178 562 H GLY 84 H GLY 84 8.645 12.014 -0.642 563 HA2 GLY 84 1HA GLY 84 7.641 9.465 -0.074 564 HA3 GLY 84 2HA GLY 84 7.320 10.373 -1.544 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -12.898 38.304 -20.417 2 HA2 GLY 1 1HA GLY 1 -14.334 36.727 -21.847 3 HA3 GLY 1 2HA GLY 1 -12.622 36.339 -21.749 4 H SER 2 H SER 2 -12.025 34.421 -20.927 5 HA SER 2 HA SER 2 -13.913 32.389 -20.537 6 HB2 SER 2 1HB SER 2 -11.343 32.290 -21.086 7 HB3 SER 2 2HB SER 2 -11.176 32.183 -19.334 8 HG SER 2 HG SER 2 -11.346 30.121 -20.344 9 H SER 3 H SER 3 -14.192 31.066 -18.573 10 HA SER 3 HA SER 3 -13.982 32.619 -16.087 11 HB2 SER 3 1HB SER 3 -16.319 32.653 -17.218 12 HB3 SER 3 2HB SER 3 -16.436 30.981 -16.670 13 HG SER 3 HG SER 3 -15.569 32.712 -14.733 14 H GLY 4 H GLY 4 -14.109 31.318 -14.135 15 HA2 GLY 4 1HA GLY 4 -13.399 28.489 -14.608 16 HA3 GLY 4 2HA GLY 4 -12.512 29.491 -13.469 17 H SER 5 H SER 5 -12.945 28.343 -11.633 18 HA SER 5 HA SER 5 -15.501 28.777 -10.418 19 HB2 SER 5 1HB SER 5 -15.715 26.661 -11.920 20 HB3 SER 5 2HB SER 5 -14.755 25.876 -10.666 21 HG SER 5 HG SER 5 -17.200 27.258 -10.242 22 H SER 6 H SER 6 -15.560 28.016 -8.173 23 HA SER 6 HA SER 6 -12.856 27.642 -7.060 24 HB2 SER 6 1HB SER 6 -13.523 29.024 -5.142 25 HB3 SER 6 2HB SER 6 -13.667 29.930 -6.648 26 HG SER 6 HG SER 6 -15.495 29.847 -4.957 27 H GLY 7 H GLY 7 -12.647 25.769 -6.041 28 HA2 GLY 7 1HA GLY 7 -13.717 24.665 -3.952 29 HA3 GLY 7 2HA GLY 7 -15.066 24.422 -5.052 30 H ARG 8 H ARG 8 -11.640 23.688 -4.560 31 HA ARG 8 HA ARG 8 -11.398 21.790 -6.623 32 HB2 ARG 8 1HB ARG 8 -9.339 21.160 -5.616 33 HB3 ARG 8 2HB ARG 8 -9.518 22.888 -5.343 34 HG2 ARG 8 1HG ARG 8 -10.103 22.556 -3.068 35 HG3 ARG 8 2HG ARG 8 -10.270 20.815 -3.301 36 HD2 ARG 8 1HD ARG 8 -7.757 21.024 -4.067 37 HD3 ARG 8 2HD ARG 8 -7.813 22.481 -3.076 38 HE ARG 8 HE ARG 8 -7.719 19.796 -2.149 39 HH11 ARG 8 2HH1 ARG 8 -9.027 22.939 -1.424 40 HH12 ARG 8 1HH1 ARG 8 -9.119 22.651 0.282 41 HH21 ARG 8 2HH2 ARG 8 -7.834 19.405 0.095 42 HH22 ARG 8 1HH2 ARG 8 -8.439 20.641 1.145 43 H TYR 9 H TYR 9 -10.708 19.424 -5.958 44 HA TYR 9 HA TYR 9 -13.029 18.059 -5.240 45 HB2 TYR 9 1HB TYR 9 -11.648 16.052 -5.175 46 HB3 TYR 9 2HB TYR 9 -11.184 17.060 -6.541 47 HD1 TYR 9 1HD TYR 9 -9.034 18.209 -6.568 48 HD2 TYR 9 2HD TYR 9 -10.147 15.719 -3.303 49 HE1 TYR 9 1HE TYR 9 -6.697 18.181 -5.801 50 HE2 TYR 9 2HE TYR 9 -7.813 15.684 -2.526 51 HH TYR 9 HH TYR 9 -5.444 16.032 -3.804 52 HA PRO 10 HA PRO 10 -13.090 18.345 -0.838 53 HB2 PRO 10 1HB PRO 10 -14.784 16.282 -0.344 54 HB3 PRO 10 2HB PRO 10 -15.324 17.833 -0.997 55 HG2 PRO 10 1HG PRO 10 -14.768 15.264 -2.430 56 HG3 PRO 10 2HG PRO 10 -16.112 16.400 -2.651 57 HD2 PRO 10 1HD PRO 10 -13.968 16.340 -4.304 58 HD3 PRO 10 2HD PRO 10 -14.851 17.837 -3.938 59 H THR 11 H THR 11 -13.112 16.594 1.052 60 HA THR 11 HA THR 11 -10.933 14.690 0.484 61 HB THR 11 HB THR 11 -10.239 15.003 2.873 62 HG1 THR 11 1HG THR 11 -11.683 17.422 2.877 63 HG21 THR 11 1HG2 THR 11 -9.672 16.564 0.638 64 HG22 THR 11 2HG2 THR 11 -8.725 16.464 2.123 65 HG23 THR 11 3HG2 THR 11 -9.941 17.727 1.936 66 H ASN 12 H ASN 12 -11.134 12.634 1.223 67 HA ASN 12 HA ASN 12 -12.907 11.841 3.288 68 HB2 ASN 12 1HB ASN 12 -14.481 12.365 1.340 69 HB3 ASN 12 2HB ASN 12 -13.790 10.954 0.545 70 HD21 ASN 12 1HD2 ASN 12 -14.043 8.896 1.558 71 HD22 ASN 12 2HD2 ASN 12 -15.383 8.604 2.609 72 H ASN 13 H ASN 13 -12.831 9.561 3.707 73 HA ASN 13 HA ASN 13 -10.353 8.390 3.412 74 HB2 ASN 13 1HB ASN 13 -13.065 7.204 3.968 75 HB3 ASN 13 2HB ASN 13 -11.616 6.204 3.917 76 HD21 ASN 13 1HD2 ASN 13 -13.589 8.061 5.842 77 HD22 ASN 13 2HD2 ASN 13 -12.537 8.257 7.198 78 H PHE 14 H PHE 14 -9.839 6.306 2.299 79 HA PHE 14 HA PHE 14 -10.355 6.594 -0.514 80 HB2 PHE 14 1HB PHE 14 -8.579 4.905 1.178 81 HB3 PHE 14 2HB PHE 14 -8.962 4.322 -0.439 82 HD1 PHE 14 2HD PHE 14 -8.581 5.987 -2.381 83 HD2 PHE 14 1HD PHE 14 -6.845 6.398 1.484 84 HE1 PHE 14 2HE PHE 14 -6.842 7.452 -3.321 85 HE2 PHE 14 1HE PHE 14 -5.104 7.864 0.550 86 HZ PHE 14 HZ PHE 14 -5.100 8.392 -1.856 87 H GLY 15 H GLY 15 -10.750 3.849 1.740 88 HA2 GLY 15 1HA GLY 15 -12.714 2.542 1.938 89 HA3 GLY 15 2HA GLY 15 -13.259 3.172 0.391 90 H ASN 16 H ASN 16 -10.836 2.661 -1.045 91 HA ASN 16 HA ASN 16 -10.620 -0.263 -0.931 92 HB2 ASN 16 1HB ASN 16 -10.775 1.022 -3.620 93 HB3 ASN 16 2HB ASN 16 -11.235 -0.605 -3.126 94 HD21 ASN 16 1HD2 ASN 16 -12.973 -0.258 -1.146 95 HD22 ASN 16 2HD2 ASN 16 -14.357 0.632 -1.674 96 H CYS 17 H CYS 17 -8.808 -1.064 -2.352 97 HA CYS 17 HA CYS 17 -6.383 -0.060 -1.600 98 HB2 CYS 17 1HB CYS 17 -6.904 -2.257 -2.801 99 HB3 CYS 17 2HB CYS 17 -6.793 -1.340 -4.300 100 H THR 18 H THR 18 -4.725 1.126 -2.694 101 HA THR 18 HA THR 18 -5.823 3.289 -4.343 102 HB THR 18 HB THR 18 -3.090 3.275 -3.075 103 HG1 THR 18 1HG THR 18 -5.591 3.591 -1.896 104 HG21 THR 18 1HG2 THR 18 -4.646 5.752 -3.296 105 HG22 THR 18 2HG2 THR 18 -4.244 5.006 -4.843 106 HG23 THR 18 3HG2 THR 18 -2.962 5.430 -3.709 107 H GLY 19 H GLY 19 -4.664 0.437 -5.032 108 HA2 GLY 19 1HA GLY 19 -3.013 1.422 -7.277 109 HA3 GLY 19 2HA GLY 19 -2.621 -0.056 -6.411 110 H CYS 20 H CYS 20 -5.303 -1.016 -6.155 111 HA CYS 20 HA CYS 20 -6.004 -1.523 -8.970 112 HB2 CYS 20 1HB CYS 20 -6.407 -3.857 -8.464 113 HB3 CYS 20 2HB CYS 20 -4.765 -3.441 -7.986 114 H SER 21 H SER 21 -7.054 0.093 -6.523 115 HA SER 21 HA SER 21 -9.056 0.511 -5.465 116 HB2 SER 21 1HB SER 21 -9.352 1.591 -7.630 117 HB3 SER 21 2HB SER 21 -9.925 0.079 -8.334 118 HG SER 21 HG SER 21 -11.595 0.234 -6.585 119 H ALA 22 H ALA 22 -8.526 -1.930 -4.696 120 HA ALA 22 HA ALA 22 -10.849 -3.611 -5.337 121 HB1 ALA 22 1HB ALA 22 -9.070 -5.008 -5.615 122 HB2 ALA 22 2HB ALA 22 -8.089 -4.184 -4.402 123 HB3 ALA 22 3HB ALA 22 -9.380 -5.276 -3.899 124 H THR 23 H THR 23 -12.514 -3.314 -4.012 125 HA THR 23 HA THR 23 -12.385 -2.115 -1.476 126 HB THR 23 HB THR 23 -14.593 -3.980 -2.327 127 HG1 THR 23 1HG THR 23 -14.424 -2.652 -4.068 128 HG21 THR 23 1HG2 THR 23 -15.432 -3.249 -0.385 129 HG22 THR 23 2HG2 THR 23 -15.646 -1.691 -1.183 130 HG23 THR 23 3HG2 THR 23 -14.194 -2.003 -0.232 131 H PHE 24 H PHE 24 -12.241 -2.907 0.564 132 HA PHE 24 HA PHE 24 -11.500 -5.729 0.817 133 HB2 PHE 24 1HB PHE 24 -11.242 -3.801 3.082 134 HB3 PHE 24 2HB PHE 24 -10.212 -5.160 2.645 135 HD1 PHE 24 1HD PHE 24 -8.739 -4.923 0.588 136 HD2 PHE 24 2HD PHE 24 -10.679 -1.630 2.461 137 HE1 PHE 24 1HE PHE 24 -7.162 -3.379 -0.500 138 HE2 PHE 24 2HE PHE 24 -9.106 -0.081 1.376 139 HZ PHE 24 HZ PHE 24 -7.344 -0.955 -0.108 140 H SER 25 H SER 25 -13.404 -6.828 0.973 141 HA SER 25 HA SER 25 -15.016 -6.271 3.364 142 HB2 SER 25 1HB SER 25 -16.259 -5.367 1.463 143 HB3 SER 25 2HB SER 25 -16.117 -6.908 0.615 144 HG SER 25 HG SER 25 -17.212 -7.754 2.620 145 H VAL 26 H VAL 26 -14.798 -8.635 0.697 146 HA VAL 26 HA VAL 26 -15.426 -10.819 2.466 147 HB VAL 26 HB VAL 26 -15.113 -12.250 0.493 148 HG11 VAL 26 1HG1 VAL 26 -16.687 -10.309 -0.886 149 HG12 VAL 26 2HG1 VAL 26 -17.215 -11.751 -0.017 150 HG13 VAL 26 3HG1 VAL 26 -17.042 -10.219 0.839 151 HG21 VAL 26 1HG2 VAL 26 -14.803 -10.866 -1.711 152 HG22 VAL 26 2HG2 VAL 26 -13.974 -9.736 -0.639 153 HG23 VAL 26 3HG2 VAL 26 -13.400 -11.398 -0.783 154 H LEU 27 H LEU 27 -12.562 -9.735 0.669 155 HA LEU 27 HA LEU 27 -10.866 -11.072 2.618 156 HB2 LEU 27 1HB LEU 27 -11.064 -11.809 -0.259 157 HB3 LEU 27 2HB LEU 27 -9.479 -11.846 0.511 158 HG LEU 27 HG LEU 27 -11.825 -13.342 1.645 159 HD11 LEU 27 1HD1 LEU 27 -11.758 -14.345 -0.428 160 HD12 LEU 27 2HD1 LEU 27 -10.607 -15.324 0.482 161 HD13 LEU 27 3HD1 LEU 27 -10.025 -14.077 -0.621 162 HD21 LEU 27 1HD2 LEU 27 -10.261 -13.488 3.265 163 HD22 LEU 27 2HD2 LEU 27 -8.929 -13.134 2.164 164 HD23 LEU 27 3HD2 LEU 27 -9.614 -14.759 2.228 165 H LYS 28 H LYS 28 -8.426 -10.706 1.648 166 HA LYS 28 HA LYS 28 -6.772 -9.183 1.303 167 HB2 LYS 28 1HB LYS 28 -8.966 -8.175 -0.437 168 HB3 LYS 28 2HB LYS 28 -7.618 -7.090 -0.121 169 HG2 LYS 28 1HG LYS 28 -6.146 -8.342 -1.315 170 HG3 LYS 28 2HG LYS 28 -6.976 -9.859 -0.960 171 HD2 LYS 28 1HD LYS 28 -7.500 -9.610 -3.179 172 HD3 LYS 28 2HD LYS 28 -8.872 -8.785 -2.436 173 HE2 LYS 28 1HE LYS 28 -8.269 -7.213 -3.976 174 HE3 LYS 28 2HE LYS 28 -7.264 -6.698 -2.622 175 HZ1 LYS 28 1HZ LYS 28 -5.839 -6.736 -4.448 176 HZ2 LYS 28 2HZ LYS 28 -6.456 -8.196 -5.038 177 HZ3 LYS 28 3HZ LYS 28 -5.497 -8.185 -3.645 178 H LYS 29 H LYS 29 -7.690 -9.022 3.748 179 HA LYS 29 HA LYS 29 -8.975 -6.992 4.887 180 HB2 LYS 29 1HB LYS 29 -6.295 -8.141 5.621 181 HB3 LYS 29 2HB LYS 29 -7.050 -6.899 6.611 182 HG2 LYS 29 1HG LYS 29 -8.980 -8.330 6.972 183 HG3 LYS 29 2HG LYS 29 -8.271 -9.569 5.934 184 HD2 LYS 29 1HD LYS 29 -6.397 -9.806 7.476 185 HD3 LYS 29 2HD LYS 29 -7.066 -8.535 8.502 186 HE2 LYS 29 1HE LYS 29 -7.607 -10.687 9.443 187 HE3 LYS 29 2HE LYS 29 -9.081 -9.926 8.844 188 HZ1 LYS 29 1HZ LYS 29 -8.458 -12.425 8.304 189 HZ2 LYS 29 2HZ LYS 29 -7.660 -11.689 7.007 190 HZ3 LYS 29 3HZ LYS 29 -9.323 -11.459 7.218 191 H ARG 30 H ARG 30 -8.952 -4.832 4.948 192 HA ARG 30 HA ARG 30 -7.442 -3.295 3.194 193 HB2 ARG 30 1HB ARG 30 -9.561 -2.546 4.194 194 HB3 ARG 30 2HB ARG 30 -8.773 -2.408 5.760 195 HG2 ARG 30 1HG ARG 30 -7.589 -0.527 5.150 196 HG3 ARG 30 2HG ARG 30 -7.705 -0.887 3.426 197 HD2 ARG 30 1HD ARG 30 -9.804 -0.004 3.243 198 HD3 ARG 30 2HD ARG 30 -10.224 -0.380 4.914 199 HE ARG 30 HE ARG 30 -8.920 2.010 3.936 200 HH11 ARG 30 2HH1 ARG 30 -9.688 0.025 6.691 201 HH12 ARG 30 1HH1 ARG 30 -9.483 1.308 7.837 202 HH21 ARG 30 2HH2 ARG 30 -8.647 3.708 5.436 203 HH22 ARG 30 1HH2 ARG 30 -8.891 3.402 7.122 204 H ARG 31 H ARG 31 -5.250 -3.730 3.355 205 HA ARG 31 HA ARG 31 -3.837 -3.492 5.840 206 HB2 ARG 31 1HB ARG 31 -3.282 -4.798 3.565 207 HB3 ARG 31 2HB ARG 31 -2.372 -3.324 3.262 208 HG2 ARG 31 1HG ARG 31 -1.217 -3.659 5.436 209 HG3 ARG 31 2HG ARG 31 -2.046 -5.210 5.583 210 HD2 ARG 31 1HD ARG 31 -1.047 -5.747 3.287 211 HD3 ARG 31 2HD ARG 31 0.009 -4.363 3.565 212 HE ARG 31 HE ARG 31 1.158 -5.581 5.147 213 HH11 ARG 31 2HH1 ARG 31 -1.742 -7.269 4.219 214 HH12 ARG 31 1HH1 ARG 31 -1.297 -8.741 5.019 215 HH21 ARG 31 2HH2 ARG 31 1.755 -7.513 6.203 216 HH22 ARG 31 1HH2 ARG 31 0.692 -8.878 6.147 217 H SER 32 H SER 32 -1.910 -2.002 6.001 218 HA SER 32 HA SER 32 -2.517 0.636 4.842 219 HB2 SER 32 1HB SER 32 -1.686 0.060 7.697 220 HB3 SER 32 2HB SER 32 -1.857 1.669 6.996 221 HG SER 32 HG SER 32 -4.105 0.655 6.456 222 H CYS 33 H CYS 33 -0.862 1.517 3.800 223 HA CYS 33 HA CYS 33 1.615 0.255 3.498 224 HB2 CYS 33 1HB CYS 33 0.605 1.890 1.897 225 HB3 CYS 33 2HB CYS 33 1.015 3.181 3.022 226 H SER 34 H SER 34 3.759 1.233 3.994 227 HA SER 34 HA SER 34 3.786 2.141 6.785 228 HB2 SER 34 1HB SER 34 5.735 0.624 5.080 229 HB3 SER 34 2HB SER 34 6.306 1.494 6.503 230 HG SER 34 HG SER 34 4.189 0.175 7.282 231 H ASN 35 H ASN 35 4.817 2.989 3.558 232 HA ASN 35 HA ASN 35 6.383 5.251 4.470 233 HB2 ASN 35 1HB ASN 35 7.128 3.995 2.502 234 HB3 ASN 35 2HB ASN 35 5.620 4.374 1.676 235 HD21 ASN 35 1HD2 ASN 35 5.916 5.844 0.181 236 HD22 ASN 35 2HD2 ASN 35 6.949 7.225 0.292 237 H CYS 36 H CYS 36 3.884 5.150 1.946 238 HA CYS 36 HA CYS 36 3.102 7.836 2.385 239 HB2 CYS 36 1HB CYS 36 1.435 7.466 0.720 240 HB3 CYS 36 2HB CYS 36 2.846 6.531 0.236 241 H GLY 37 H GLY 37 1.911 4.751 3.560 242 HA2 GLY 37 1HA GLY 37 0.572 4.318 5.393 243 HA3 GLY 37 2HA GLY 37 0.488 6.048 5.690 244 H ASN 38 H ASN 38 -0.433 4.368 2.724 245 HA ASN 38 HA ASN 38 -3.147 5.434 3.064 246 HB2 ASN 38 1HB ASN 38 -1.848 4.357 0.553 247 HB3 ASN 38 2HB ASN 38 -3.391 5.200 0.661 248 HD21 ASN 38 1HD2 ASN 38 -1.163 5.927 -0.952 249 HD22 ASN 38 2HD2 ASN 38 -0.635 7.487 -0.430 250 H SER 39 H SER 39 -4.681 3.901 1.537 251 HA SER 39 HA SER 39 -4.699 1.363 2.979 252 HB2 SER 39 1HB SER 39 -7.007 1.192 1.807 253 HB3 SER 39 2HB SER 39 -6.810 2.376 3.100 254 HG SER 39 HG SER 39 -6.197 3.253 0.545 255 H PHE 40 H PHE 40 -4.289 -0.555 2.069 256 HA PHE 40 HA PHE 40 -4.384 -0.856 -0.827 257 HB2 PHE 40 1HB PHE 40 -1.888 -1.270 0.822 258 HB3 PHE 40 2HB PHE 40 -2.100 -1.945 -0.790 259 HD1 PHE 40 1HD PHE 40 -2.455 -0.373 -2.722 260 HD2 PHE 40 2HD PHE 40 -1.208 0.949 1.127 261 HE1 PHE 40 1HE PHE 40 -1.646 1.730 -3.710 262 HE2 PHE 40 2HE PHE 40 -0.398 3.054 0.145 263 HZ PHE 40 HZ PHE 40 -0.617 3.448 -2.276 264 H CYS 41 H CYS 41 -3.965 -3.180 -1.458 265 HA CYS 41 HA CYS 41 -5.418 -4.893 0.399 266 HB2 CYS 41 1HB CYS 41 -5.634 -6.426 -1.506 267 HB3 CYS 41 2HB CYS 41 -6.174 -4.805 -1.932 268 H SER 42 H SER 42 -4.653 -7.348 0.085 269 HA SER 42 HA SER 42 -2.028 -7.431 1.279 270 HB2 SER 42 1HB SER 42 -3.978 -8.833 2.054 271 HB3 SER 42 2HB SER 42 -3.810 -9.770 0.570 272 HG SER 42 HG SER 42 -2.276 -10.827 1.517 273 H ARG 43 H ARG 43 -2.648 -6.902 -1.716 274 HA ARG 43 HA ARG 43 -0.641 -8.797 -2.746 275 HB2 ARG 43 1HB ARG 43 -3.140 -7.752 -4.062 276 HB3 ARG 43 2HB ARG 43 -1.807 -8.417 -4.997 277 HG2 ARG 43 1HG ARG 43 -2.028 -10.514 -3.639 278 HG3 ARG 43 2HG ARG 43 -3.509 -9.832 -2.963 279 HD2 ARG 43 1HD ARG 43 -4.530 -9.744 -5.129 280 HD3 ARG 43 2HD ARG 43 -3.018 -10.201 -5.912 281 HE ARG 43 HE ARG 43 -3.444 -12.395 -5.391 282 HH11 ARG 43 2HH1 ARG 43 -5.591 -10.335 -3.584 283 HH12 ARG 43 1HH1 ARG 43 -6.568 -11.643 -3.003 284 HH21 ARG 43 2HH2 ARG 43 -4.722 -14.126 -4.633 285 HH22 ARG 43 1HH2 ARG 43 -6.072 -13.799 -3.600 286 H CYS 44 H CYS 44 -1.765 -5.535 -2.507 287 HA CYS 44 HA CYS 44 0.238 -4.563 -4.396 288 HB2 CYS 44 1HB CYS 44 -2.035 -3.251 -2.919 289 HB3 CYS 44 2HB CYS 44 -0.808 -2.303 -3.752 290 H CYS 45 H CYS 45 -0.516 -4.530 -0.960 291 HA CYS 45 HA CYS 45 1.846 -2.923 -0.379 292 HB2 CYS 45 1HB CYS 45 -0.364 -2.560 0.794 293 HB3 CYS 45 2HB CYS 45 -0.114 -4.109 1.589 294 HG CYS 45 HG CYS 45 2.567 -2.932 2.416 295 H SER 46 H SER 46 2.290 -5.487 -1.524 296 HA SER 46 HA SER 46 3.374 -7.026 0.734 297 HB2 SER 46 1HB SER 46 3.205 -8.962 -0.553 298 HB3 SER 46 2HB SER 46 1.795 -8.045 -1.084 299 HG SER 46 HG SER 46 3.573 -7.221 -2.687 300 H PHE 47 H PHE 47 4.663 -4.650 -0.171 301 HA PHE 47 HA PHE 47 7.091 -5.740 -1.431 302 HB2 PHE 47 1HB PHE 47 6.046 -2.903 -1.365 303 HB3 PHE 47 2HB PHE 47 7.608 -3.370 -2.029 304 HD1 PHE 47 2HD PHE 47 7.723 -4.754 -4.063 305 HD2 PHE 47 1HD PHE 47 4.030 -3.257 -2.568 306 HE1 PHE 47 2HE PHE 47 6.663 -5.207 -6.237 307 HE2 PHE 47 1HE PHE 47 2.964 -3.708 -4.740 308 HZ PHE 47 HZ PHE 47 4.281 -4.683 -6.578 309 H LYS 48 H LYS 48 8.728 -6.066 -0.095 310 HA LYS 48 HA LYS 48 8.789 -4.718 2.488 311 HB2 LYS 48 1HB LYS 48 10.341 -7.027 1.324 312 HB3 LYS 48 2HB LYS 48 10.755 -6.299 2.870 313 HG2 LYS 48 1HG LYS 48 8.438 -6.803 3.645 314 HG3 LYS 48 2HG LYS 48 8.190 -7.692 2.140 315 HD2 LYS 48 1HD LYS 48 8.861 -9.413 3.480 316 HD3 LYS 48 2HD LYS 48 10.439 -8.872 2.902 317 HE2 LYS 48 1HE LYS 48 10.529 -9.204 5.289 318 HE3 LYS 48 2HE LYS 48 10.666 -7.483 4.932 319 HZ1 LYS 48 1HZ LYS 48 9.108 -8.208 6.803 320 HZ2 LYS 48 2HZ LYS 48 8.054 -8.697 5.575 321 HZ3 LYS 48 3HZ LYS 48 8.526 -7.076 5.689 322 H VAL 49 H VAL 49 9.869 -2.885 2.722 323 HA VAL 49 HA VAL 49 12.391 -2.527 1.255 324 HB VAL 49 HB VAL 49 11.872 -0.160 0.878 325 HG11 VAL 49 1HG1 VAL 49 9.552 -1.037 -0.486 326 HG12 VAL 49 2HG1 VAL 49 11.187 -0.843 -1.120 327 HG13 VAL 49 3HG1 VAL 49 10.683 -2.388 -0.435 328 HG21 VAL 49 1HG2 VAL 49 9.098 -0.829 1.855 329 HG22 VAL 49 2HG2 VAL 49 10.293 0.096 2.766 330 HG23 VAL 49 3HG2 VAL 49 9.657 0.730 1.248 331 HA PRO 50 HA PRO 50 14.070 -1.330 5.136 332 HB2 PRO 50 1HB PRO 50 16.061 0.324 4.318 333 HB3 PRO 50 2HB PRO 50 16.130 -1.432 4.125 334 HG2 PRO 50 1HG PRO 50 15.396 0.667 2.120 335 HG3 PRO 50 2HG PRO 50 16.416 -0.769 1.914 336 HD2 PRO 50 1HD PRO 50 13.836 -0.685 1.095 337 HD3 PRO 50 2HD PRO 50 14.605 -2.176 1.676 338 H LYS 51 H LYS 51 13.085 -0.009 6.521 339 HA LYS 51 HA LYS 51 11.976 2.509 5.725 340 HB2 LYS 51 1HB LYS 51 11.462 2.699 8.206 341 HB3 LYS 51 2HB LYS 51 10.754 1.324 7.368 342 HG2 LYS 51 1HG LYS 51 12.040 -0.193 8.473 343 HG3 LYS 51 2HG LYS 51 13.384 0.932 8.681 344 HD2 LYS 51 1HD LYS 51 12.577 0.770 10.836 345 HD3 LYS 51 2HD LYS 51 11.716 2.193 10.244 346 HE2 LYS 51 1HE LYS 51 9.736 0.922 9.854 347 HE3 LYS 51 2HE LYS 51 10.581 -0.596 10.152 348 HZ1 LYS 51 1HZ LYS 51 9.600 1.391 12.059 349 HZ2 LYS 51 2HZ LYS 51 11.020 0.563 12.456 350 HZ3 LYS 51 3HZ LYS 51 9.595 -0.298 12.160 351 H SER 52 H SER 52 14.889 1.450 7.325 352 HA SER 52 HA SER 52 15.730 3.725 8.623 353 HB2 SER 52 1HB SER 52 18.045 2.932 8.202 354 HB3 SER 52 2HB SER 52 16.977 1.636 8.741 355 HG SER 52 HG SER 52 18.255 1.987 6.323 356 H SER 53 H SER 53 15.582 3.098 5.203 357 HA SER 53 HA SER 53 16.976 5.617 4.632 358 HB2 SER 53 1HB SER 53 16.226 3.300 2.836 359 HB3 SER 53 2HB SER 53 16.969 4.792 2.262 360 HG SER 53 HG SER 53 18.259 2.740 3.035 361 H MET 54 H MET 54 14.830 6.466 5.641 362 HA MET 54 HA MET 54 13.073 7.144 3.392 363 HB2 MET 54 1HB MET 54 12.137 6.332 6.149 364 HB3 MET 54 2HB MET 54 11.103 6.996 4.891 365 HG2 MET 54 1HG MET 54 12.709 4.587 4.246 366 HG3 MET 54 2HG MET 54 11.316 4.401 5.309 367 HE1 MET 54 1HE MET 54 10.335 2.869 4.111 368 HE2 MET 54 2HE MET 54 8.847 3.491 3.397 369 HE3 MET 54 3HE MET 54 10.102 2.804 2.364 370 H GLY 55 H GLY 55 12.568 9.260 3.260 371 HA2 GLY 55 1HA GLY 55 12.995 11.511 3.665 372 HA3 GLY 55 2HA GLY 55 12.024 11.137 5.081 373 H ALA 56 H ALA 56 12.998 10.939 7.080 374 HA ALA 56 HA ALA 56 15.803 11.831 7.179 375 HB1 ALA 56 1HB ALA 56 14.238 13.410 8.171 376 HB2 ALA 56 2HB ALA 56 13.634 12.151 9.249 377 HB3 ALA 56 3HB ALA 56 15.296 12.720 9.402 378 H THR 57 H THR 57 17.296 10.561 8.090 379 HA THR 57 HA THR 57 16.658 7.893 8.833 380 HB THR 57 HB THR 57 19.040 7.664 9.390 381 HG1 THR 57 1HG THR 57 20.390 9.462 9.303 382 HG21 THR 57 1HG2 THR 57 19.967 8.366 7.160 383 HG22 THR 57 2HG2 THR 57 18.417 9.143 6.836 384 HG23 THR 57 3HG2 THR 57 18.495 7.398 7.080 385 H ALA 58 H ALA 58 16.971 6.869 10.865 386 HA ALA 58 HA ALA 58 17.014 8.652 13.199 387 HB1 ALA 58 1HB ALA 58 14.950 8.146 13.848 388 HB2 ALA 58 2HB ALA 58 14.709 7.401 12.267 389 HB3 ALA 58 3HB ALA 58 15.238 6.419 13.633 390 HA PRO 59 HA PRO 59 19.850 5.768 14.910 391 HB2 PRO 59 1HB PRO 59 19.349 6.079 17.560 392 HB3 PRO 59 2HB PRO 59 20.190 7.295 16.592 393 HG2 PRO 59 1HG PRO 59 17.320 7.201 17.437 394 HG3 PRO 59 2HG PRO 59 18.437 8.578 17.420 395 HD2 PRO 59 1HD PRO 59 16.586 8.179 15.484 396 HD3 PRO 59 2HD PRO 59 18.159 8.937 15.160 397 H GLU 60 H GLU 60 16.453 5.484 15.541 398 HA GLU 60 HA GLU 60 16.681 2.917 16.859 399 HB2 GLU 60 1HB GLU 60 14.887 4.367 17.561 400 HB3 GLU 60 2HB GLU 60 14.297 4.510 15.911 401 HG2 GLU 60 1HG GLU 60 12.826 2.995 16.796 402 HG3 GLU 60 2HG GLU 60 14.027 1.931 16.067 403 H ALA 61 H ALA 61 15.257 4.090 13.808 404 HA ALA 61 HA ALA 61 14.806 1.478 12.774 405 HB1 ALA 61 1HB ALA 61 13.455 2.757 11.547 406 HB2 ALA 61 2HB ALA 61 14.379 4.216 11.907 407 HB3 ALA 61 3HB ALA 61 14.878 3.159 10.586 408 H GLN 62 H GLN 62 16.665 0.265 12.752 409 HA GLN 62 HA GLN 62 18.672 1.075 10.771 410 HB2 GLN 62 1HB GLN 62 19.191 0.124 13.581 411 HB3 GLN 62 2HB GLN 62 20.404 -0.006 12.315 412 HG2 GLN 62 1HG GLN 62 19.957 2.531 11.991 413 HG3 GLN 62 2HG GLN 62 19.282 2.431 13.616 414 HE21 GLN 62 1HE2 GLN 62 20.621 2.436 15.309 415 HE22 GLN 62 2HE2 GLN 62 22.345 2.385 15.210 416 H ARG 63 H ARG 63 18.306 -0.375 9.206 417 HA ARG 63 HA ARG 63 18.360 -2.379 8.117 418 HB2 ARG 63 1HB ARG 63 20.133 -2.815 10.031 419 HB3 ARG 63 2HB ARG 63 18.884 -3.896 10.635 420 HG2 ARG 63 1HG ARG 63 18.876 -4.902 8.284 421 HG3 ARG 63 2HG ARG 63 20.398 -4.040 8.055 422 HD2 ARG 63 1HD ARG 63 19.990 -5.790 10.447 423 HD3 ARG 63 2HD ARG 63 20.433 -6.495 8.893 424 HE ARG 63 HE ARG 63 22.146 -4.333 9.623 425 HH11 ARG 63 2HH1 ARG 63 21.510 -7.714 10.154 426 HH12 ARG 63 1HH1 ARG 63 23.144 -8.086 10.595 427 HH21 ARG 63 2HH2 ARG 63 24.301 -4.810 10.201 428 HH22 ARG 63 1HH2 ARG 63 24.730 -6.433 10.622 429 H GLU 64 H GLU 64 15.949 -1.327 9.083 430 HA GLU 64 HA GLU 64 14.454 -3.732 9.886 431 HB2 GLU 64 1HB GLU 64 14.418 -1.420 11.186 432 HB3 GLU 64 2HB GLU 64 13.220 -1.017 9.965 433 HG2 GLU 64 1HG GLU 64 13.103 -3.302 11.918 434 HG3 GLU 64 2HG GLU 64 12.124 -1.836 11.940 435 H THR 65 H THR 65 12.837 -4.509 8.632 436 HA THR 65 HA THR 65 12.475 -3.225 6.013 437 HB THR 65 HB THR 65 11.658 -5.409 5.225 438 HG1 THR 65 1HG THR 65 12.267 -7.163 6.906 439 HG21 THR 65 1HG2 THR 65 14.094 -6.415 6.392 440 HG22 THR 65 2HG2 THR 65 14.292 -4.733 5.900 441 HG23 THR 65 3HG2 THR 65 13.766 -5.939 4.727 442 H VAL 66 H VAL 66 10.540 -2.474 5.384 443 HA VAL 66 HA VAL 66 8.210 -3.067 7.091 444 HB VAL 66 HB VAL 66 7.362 -0.814 6.618 445 HG11 VAL 66 1HG1 VAL 66 10.151 -0.782 7.767 446 HG12 VAL 66 2HG1 VAL 66 8.891 0.421 8.049 447 HG13 VAL 66 3HG1 VAL 66 8.686 -1.227 8.642 448 HG21 VAL 66 1HG2 VAL 66 9.323 -0.842 4.600 449 HG22 VAL 66 2HG2 VAL 66 8.185 0.449 4.985 450 HG23 VAL 66 3HG2 VAL 66 9.783 0.430 5.731 451 H PHE 67 H PHE 67 6.107 -2.774 5.992 452 HA PHE 67 HA PHE 67 6.274 -3.792 3.248 453 HB2 PHE 67 1HB PHE 67 4.175 -3.962 5.393 454 HB3 PHE 67 2HB PHE 67 3.769 -4.277 3.710 455 HD1 PHE 67 2HD PHE 67 5.470 -5.952 2.515 456 HD2 PHE 67 1HD PHE 67 4.726 -5.756 6.701 457 HE1 PHE 67 2HE PHE 67 6.257 -8.271 2.760 458 HE2 PHE 67 1HE PHE 67 5.513 -8.074 6.953 459 HZ PHE 67 HZ PHE 67 6.278 -9.335 4.981 460 H VAL 68 H VAL 68 6.108 -2.301 1.715 461 HA VAL 68 HA VAL 68 4.286 -0.026 2.150 462 HB VAL 68 HB VAL 68 5.606 1.252 0.577 463 HG11 VAL 68 1HG1 VAL 68 7.788 1.300 1.815 464 HG12 VAL 68 2HG1 VAL 68 6.351 1.418 2.833 465 HG13 VAL 68 3HG1 VAL 68 7.229 -0.108 2.718 466 HG21 VAL 68 1HG2 VAL 68 7.181 0.421 -0.816 467 HG22 VAL 68 2HG2 VAL 68 7.766 -0.749 0.366 468 HG23 VAL 68 3HG2 VAL 68 6.302 -1.086 -0.558 469 H CYS 69 H CYS 69 3.578 0.924 -0.084 470 HA CYS 69 HA CYS 69 2.255 -1.258 -1.492 471 HB2 CYS 69 1HB CYS 69 0.787 0.419 -2.397 472 HB3 CYS 69 2HB CYS 69 0.968 0.727 -0.673 473 H ALA 70 H ALA 70 2.244 -1.428 -3.782 474 HA ALA 70 HA ALA 70 4.656 -1.429 -5.052 475 HB1 ALA 70 1HB ALA 70 3.259 -2.540 -6.399 476 HB2 ALA 70 2HB ALA 70 1.868 -1.574 -5.907 477 HB3 ALA 70 3HB ALA 70 2.962 -0.974 -7.152 478 H SER 71 H SER 71 2.236 1.174 -5.173 479 HA SER 71 HA SER 71 3.457 2.890 -6.943 480 HB2 SER 71 1HB SER 71 1.237 3.327 -6.034 481 HB3 SER 71 2HB SER 71 1.920 3.602 -4.432 482 HG SER 71 HG SER 71 1.852 5.258 -6.641 483 H CYS 72 H CYS 72 4.056 2.558 -3.467 484 HA CYS 72 HA CYS 72 6.063 4.617 -3.443 485 HB2 CYS 72 1HB CYS 72 5.309 2.541 -1.376 486 HB3 CYS 72 2HB CYS 72 6.453 3.851 -1.107 487 H ASN 73 H ASN 73 6.205 1.110 -2.788 488 HA ASN 73 HA ASN 73 8.843 0.657 -2.590 489 HB2 ASN 73 1HB ASN 73 7.237 -1.161 -2.517 490 HB3 ASN 73 2HB ASN 73 6.891 -0.969 -4.233 491 HD21 ASN 73 1HD2 ASN 73 8.436 -1.621 -5.752 492 HD22 ASN 73 2HD2 ASN 73 9.703 -2.720 -5.338 493 H GLN 74 H GLN 74 7.132 1.352 -5.591 494 HA GLN 74 HA GLN 74 9.356 0.903 -7.305 495 HB2 GLN 74 1HB GLN 74 6.757 2.387 -7.658 496 HB3 GLN 74 2HB GLN 74 7.962 2.286 -8.935 497 HG2 GLN 74 1HG GLN 74 6.730 -0.115 -7.610 498 HG3 GLN 74 2HG GLN 74 6.110 0.621 -9.086 499 HE21 GLN 74 1HE2 GLN 74 6.965 -2.030 -8.914 500 HE22 GLN 74 2HE2 GLN 74 8.366 -2.221 -9.907 501 H THR 75 H THR 75 8.016 3.761 -5.722 502 HA THR 75 HA THR 75 9.767 5.623 -6.971 503 HB THR 75 HB THR 75 8.232 5.881 -4.377 504 HG1 THR 75 1HG THR 75 6.585 6.096 -5.675 505 HG21 THR 75 1HG2 THR 75 9.651 7.657 -4.188 506 HG22 THR 75 2HG2 THR 75 8.449 8.393 -5.249 507 HG23 THR 75 3HG2 THR 75 9.945 7.747 -5.924 508 H LEU 76 H LEU 76 9.816 3.929 -3.858 509 HA LEU 76 HA LEU 76 12.115 5.182 -2.824 510 HB2 LEU 76 1HB LEU 76 11.022 2.426 -2.275 511 HB3 LEU 76 2HB LEU 76 12.238 3.252 -1.302 512 HG LEU 76 HG LEU 76 9.495 4.408 -1.708 513 HD11 LEU 76 1HD1 LEU 76 9.128 3.402 0.649 514 HD12 LEU 76 2HD1 LEU 76 10.377 2.254 0.169 515 HD13 LEU 76 3HD1 LEU 76 8.890 2.382 -0.770 516 HD21 LEU 76 1HD2 LEU 76 11.603 4.748 0.424 517 HD22 LEU 76 2HD2 LEU 76 10.024 5.534 0.406 518 HD23 LEU 76 3HD2 LEU 76 11.208 5.904 -0.849 519 H SER 77 H SER 77 11.720 2.101 -4.558 520 HA SER 77 HA SER 77 14.497 1.495 -4.591 521 HB2 SER 77 1HB SER 77 12.583 -0.153 -4.879 522 HB3 SER 77 2HB SER 77 12.429 0.448 -6.529 523 HG SER 77 HG SER 77 14.056 -1.413 -5.674 524 H LYS 78 H LYS 78 12.282 2.723 -7.094 525 HA LYS 78 HA LYS 78 13.998 2.977 -9.210 526 HB2 LYS 78 1HB LYS 78 11.682 3.491 -9.499 527 HB3 LYS 78 2HB LYS 78 11.761 4.797 -8.324 528 HG2 LYS 78 1HG LYS 78 12.970 6.184 -9.790 529 HG3 LYS 78 2HG LYS 78 13.333 4.845 -10.881 530 HD2 LYS 78 1HD LYS 78 11.016 4.691 -11.536 531 HD3 LYS 78 2HD LYS 78 10.561 5.911 -10.344 532 HE2 LYS 78 1HE LYS 78 12.486 6.433 -12.600 533 HE3 LYS 78 2HE LYS 78 10.752 6.723 -12.721 534 HZ1 LYS 78 1HZ LYS 78 10.999 8.647 -11.683 535 HZ2 LYS 78 2HZ LYS 78 12.676 8.430 -11.698 536 HZ3 LYS 78 3HZ LYS 78 11.768 7.911 -10.369 537 H SER 79 H SER 79 15.778 4.106 -9.641 538 HA SER 79 HA SER 79 16.861 5.889 -7.664 539 HB2 SER 79 1HB SER 79 18.820 5.989 -9.111 540 HB3 SER 79 2HB SER 79 18.285 4.316 -8.950 541 HG SER 79 HG SER 79 17.450 5.951 -11.099 542 H GLY 80 H GLY 80 16.871 8.059 -7.653 543 HA2 GLY 80 1HA GLY 80 16.912 9.838 -9.716 544 HA3 GLY 80 2HA GLY 80 15.206 9.454 -9.541 545 HA PRO 81 HA PRO 81 16.713 12.786 -6.483 546 HB2 PRO 81 1HB PRO 81 15.693 14.971 -7.731 547 HB3 PRO 81 2HB PRO 81 17.334 14.379 -8.017 548 HG2 PRO 81 1HG PRO 81 14.858 13.962 -9.648 549 HG3 PRO 81 2HG PRO 81 16.504 14.341 -10.189 550 HD2 PRO 81 1HD PRO 81 15.483 11.835 -10.275 551 HD3 PRO 81 2HD PRO 81 17.206 12.155 -9.995 552 H SER 82 H SER 82 13.990 11.367 -7.648 553 HA SER 82 HA SER 82 11.750 12.689 -7.118 554 HB2 SER 82 1HB SER 82 12.513 9.931 -6.171 555 HB3 SER 82 2HB SER 82 10.890 10.578 -5.929 556 HG SER 82 HG SER 82 10.479 10.228 -7.956 557 H SER 83 H SER 83 10.792 13.789 -5.523 558 HA SER 83 HA SER 83 11.785 13.459 -2.778 559 HB2 SER 83 1HB SER 83 11.603 15.995 -4.375 560 HB3 SER 83 2HB SER 83 11.423 16.041 -2.621 561 HG SER 83 HG SER 83 13.638 15.013 -4.071 562 H GLY 84 H GLY 84 10.009 12.484 -1.943 563 HA2 GLY 84 1HA GLY 84 7.351 12.927 -2.623 564 HA3 GLY 84 2HA GLY 84 7.893 12.307 -1.071 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -7.784 27.596 -33.958 2 HA2 GLY 1 1HA GLY 1 -9.882 28.972 -32.816 3 HA3 GLY 1 2HA GLY 1 -10.632 27.749 -33.830 4 H SER 2 H SER 2 -8.777 28.360 -30.958 5 HA SER 2 HA SER 2 -8.096 25.744 -30.243 6 HB2 SER 2 1HB SER 2 -7.229 27.775 -29.111 7 HB3 SER 2 2HB SER 2 -8.817 28.026 -28.386 8 HG SER 2 HG SER 2 -8.552 25.910 -27.429 9 H SER 3 H SER 3 -9.248 24.054 -29.582 10 HA SER 3 HA SER 3 -11.724 24.372 -28.136 11 HB2 SER 3 1HB SER 3 -11.748 23.043 -30.857 12 HB3 SER 3 2HB SER 3 -13.104 23.118 -29.732 13 HG SER 3 HG SER 3 -13.131 25.359 -29.983 14 H GLY 4 H GLY 4 -11.990 22.736 -26.741 15 HA2 GLY 4 1HA GLY 4 -10.568 20.208 -27.282 16 HA3 GLY 4 2HA GLY 4 -10.424 21.005 -25.722 17 H SER 5 H SER 5 -11.259 18.458 -25.712 18 HA SER 5 HA SER 5 -14.182 18.602 -25.392 19 HB2 SER 5 1HB SER 5 -12.323 16.378 -26.140 20 HB3 SER 5 2HB SER 5 -13.840 15.989 -25.329 21 HG SER 5 HG SER 5 -14.618 17.595 -27.125 22 H SER 6 H SER 6 -15.093 17.315 -23.600 23 HA SER 6 HA SER 6 -13.570 17.806 -21.175 24 HB2 SER 6 1HB SER 6 -16.424 16.895 -21.608 25 HB3 SER 6 2HB SER 6 -15.704 17.199 -20.027 26 HG SER 6 HG SER 6 -16.696 18.959 -21.838 27 H GLY 7 H GLY 7 -13.845 16.093 -19.389 28 HA2 GLY 7 1HA GLY 7 -14.116 13.363 -20.079 29 HA3 GLY 7 2HA GLY 7 -12.415 13.807 -20.099 30 H ARG 8 H ARG 8 -14.330 12.157 -18.291 31 HA ARG 8 HA ARG 8 -12.957 12.829 -15.843 32 HB2 ARG 8 1HB ARG 8 -15.931 13.195 -16.142 33 HB3 ARG 8 2HB ARG 8 -15.188 12.889 -14.578 34 HG2 ARG 8 1HG ARG 8 -13.661 14.915 -15.288 35 HG3 ARG 8 2HG ARG 8 -15.049 15.297 -16.309 36 HD2 ARG 8 1HD ARG 8 -15.238 16.440 -14.181 37 HD3 ARG 8 2HD ARG 8 -16.503 15.221 -14.329 38 HE ARG 8 HE ARG 8 -14.323 14.071 -13.009 39 HH11 ARG 8 2HH1 ARG 8 -16.738 16.526 -12.497 40 HH12 ARG 8 1HH1 ARG 8 -16.753 16.337 -10.775 41 HH21 ARG 8 2HH2 ARG 8 -14.334 13.812 -10.742 42 HH22 ARG 8 1HH2 ARG 8 -15.385 14.793 -9.778 43 H TYR 9 H TYR 9 -13.700 11.291 -14.040 44 HA TYR 9 HA TYR 9 -14.346 8.668 -15.218 45 HB2 TYR 9 1HB TYR 9 -12.809 7.618 -13.683 46 HB3 TYR 9 2HB TYR 9 -11.954 8.891 -14.545 47 HD1 TYR 9 1HD TYR 9 -11.908 11.223 -13.317 48 HD2 TYR 9 2HD TYR 9 -12.593 7.496 -11.383 49 HE1 TYR 9 1HE TYR 9 -11.213 12.213 -11.175 50 HE2 TYR 9 2HE TYR 9 -11.901 8.476 -9.236 51 HH TYR 9 HH TYR 9 -11.900 11.104 -8.327 52 HA PRO 10 HA PRO 10 -17.687 8.536 -12.345 53 HB2 PRO 10 1HB PRO 10 -18.149 5.861 -12.399 54 HB3 PRO 10 2HB PRO 10 -18.600 6.941 -13.724 55 HG2 PRO 10 1HG PRO 10 -16.209 5.158 -13.463 56 HG3 PRO 10 2HG PRO 10 -17.252 5.432 -14.871 57 HD2 PRO 10 1HD PRO 10 -14.838 6.628 -14.591 58 HD3 PRO 10 2HD PRO 10 -16.199 7.407 -15.424 59 H THR 11 H THR 11 -18.024 8.174 -10.193 60 HA THR 11 HA THR 11 -16.310 6.336 -8.730 61 HB THR 11 HB THR 11 -15.641 8.050 -7.075 62 HG1 THR 11 1HG THR 11 -17.435 9.521 -7.965 63 HG21 THR 11 1HG2 THR 11 -14.056 7.442 -8.804 64 HG22 THR 11 2HG2 THR 11 -13.938 9.172 -8.482 65 HG23 THR 11 3HG2 THR 11 -14.784 8.597 -9.919 66 H ASN 12 H ASN 12 -17.561 5.256 -7.366 67 HA ASN 12 HA ASN 12 -20.092 6.459 -6.506 68 HB2 ASN 12 1HB ASN 12 -20.510 4.362 -7.485 69 HB3 ASN 12 2HB ASN 12 -19.115 3.620 -6.706 70 HD21 ASN 12 1HD2 ASN 12 -19.224 3.185 -4.449 71 HD22 ASN 12 2HD2 ASN 12 -20.752 2.943 -3.679 72 H ASN 13 H ASN 13 -17.362 4.600 -5.178 73 HA ASN 13 HA ASN 13 -17.705 6.030 -2.646 74 HB2 ASN 13 1HB ASN 13 -18.840 3.757 -2.564 75 HB3 ASN 13 2HB ASN 13 -17.236 3.048 -2.723 76 HD21 ASN 13 1HD2 ASN 13 -19.348 4.935 -0.690 77 HD22 ASN 13 2HD2 ASN 13 -18.457 4.717 0.774 78 H PHE 14 H PHE 14 -15.794 5.705 -1.187 79 HA PHE 14 HA PHE 14 -13.334 5.388 -2.778 80 HB2 PHE 14 1HB PHE 14 -13.550 7.193 -0.378 81 HB3 PHE 14 2HB PHE 14 -12.325 7.193 -1.643 82 HD1 PHE 14 2HD PHE 14 -13.633 7.369 -4.108 83 HD2 PHE 14 1HD PHE 14 -14.815 9.095 -0.401 84 HE1 PHE 14 2HE PHE 14 -14.884 9.106 -5.320 85 HE2 PHE 14 1HE PHE 14 -16.069 10.835 -1.607 86 HZ PHE 14 HZ PHE 14 -16.104 10.843 -4.069 87 H GLY 15 H GLY 15 -14.541 3.243 -1.433 88 HA2 GLY 15 1HA GLY 15 -12.746 2.866 0.883 89 HA3 GLY 15 2HA GLY 15 -14.300 2.066 0.696 90 H ASN 16 H ASN 16 -11.469 2.472 -1.434 91 HA ASN 16 HA ASN 16 -11.125 -0.432 -1.466 92 HB2 ASN 16 1HB ASN 16 -11.027 1.009 -4.087 93 HB3 ASN 16 2HB ASN 16 -11.350 -0.691 -3.758 94 HD21 ASN 16 1HD2 ASN 16 -13.362 -0.680 -2.017 95 HD22 ASN 16 2HD2 ASN 16 -14.761 0.086 -2.682 96 H CYS 17 H CYS 17 -9.086 -1.033 -2.691 97 HA CYS 17 HA CYS 17 -6.865 0.100 -1.545 98 HB2 CYS 17 1HB CYS 17 -6.890 -2.086 -2.706 99 HB3 CYS 17 2HB CYS 17 -6.972 -1.248 -4.252 100 H THR 18 H THR 18 -5.071 1.299 -2.542 101 HA THR 18 HA THR 18 -6.111 3.525 -4.147 102 HB THR 18 HB THR 18 -3.563 3.373 -2.524 103 HG1 THR 18 1HG THR 18 -4.748 4.051 -0.908 104 HG21 THR 18 1HG2 THR 18 -3.022 5.060 -3.944 105 HG22 THR 18 2HG2 THR 18 -4.037 5.998 -2.848 106 HG23 THR 18 3HG2 THR 18 -4.702 5.390 -4.364 107 H GLY 19 H GLY 19 -4.932 0.738 -4.943 108 HA2 GLY 19 1HA GLY 19 -3.169 1.842 -7.039 109 HA3 GLY 19 2HA GLY 19 -2.771 0.347 -6.205 110 H CYS 20 H CYS 20 -5.138 -0.980 -6.129 111 HA CYS 20 HA CYS 20 -5.797 -1.308 -8.983 112 HB2 CYS 20 1HB CYS 20 -6.182 -3.697 -8.489 113 HB3 CYS 20 2HB CYS 20 -4.525 -3.210 -8.149 114 H SER 21 H SER 21 -7.043 0.125 -6.499 115 HA SER 21 HA SER 21 -9.113 0.463 -5.580 116 HB2 SER 21 1HB SER 21 -9.398 1.397 -7.840 117 HB3 SER 21 2HB SER 21 -9.923 -0.181 -8.427 118 HG SER 21 HG SER 21 -11.628 0.003 -6.785 119 H ALA 22 H ALA 22 -8.108 -2.271 -5.402 120 HA ALA 22 HA ALA 22 -10.318 -4.050 -5.834 121 HB1 ALA 22 1HB ALA 22 -8.063 -4.905 -5.957 122 HB2 ALA 22 2HB ALA 22 -7.756 -4.422 -4.289 123 HB3 ALA 22 3HB ALA 22 -8.924 -5.696 -4.637 124 H THR 23 H THR 23 -12.111 -3.586 -4.680 125 HA THR 23 HA THR 23 -12.377 -2.406 -2.232 126 HB THR 23 HB THR 23 -14.106 -4.714 -3.131 127 HG1 THR 23 1HG THR 23 -15.339 -2.793 -4.026 128 HG21 THR 23 1HG2 THR 23 -14.256 -2.727 -1.002 129 HG22 THR 23 2HG2 THR 23 -15.162 -4.225 -1.216 130 HG23 THR 23 3HG2 THR 23 -15.693 -2.750 -2.023 131 H PHE 24 H PHE 24 -12.615 -3.128 -0.090 132 HA PHE 24 HA PHE 24 -11.118 -5.584 0.488 133 HB2 PHE 24 1HB PHE 24 -11.815 -3.307 2.352 134 HB3 PHE 24 2HB PHE 24 -10.736 -4.652 2.703 135 HD1 PHE 24 1HD PHE 24 -8.512 -4.744 1.759 136 HD2 PHE 24 2HD PHE 24 -11.123 -1.489 0.922 137 HE1 PHE 24 1HE PHE 24 -6.609 -3.444 0.895 138 HE2 PHE 24 2HE PHE 24 -9.226 -0.184 0.056 139 HZ PHE 24 HZ PHE 24 -6.965 -1.162 0.041 140 H SER 25 H SER 25 -12.716 -7.132 0.281 141 HA SER 25 HA SER 25 -15.255 -6.865 1.597 142 HB2 SER 25 1HB SER 25 -13.906 -8.956 -0.050 143 HB3 SER 25 2HB SER 25 -15.249 -9.451 0.979 144 HG SER 25 HG SER 25 -15.361 -7.323 -0.895 145 H VAL 26 H VAL 26 -16.043 -8.323 3.249 146 HA VAL 26 HA VAL 26 -14.820 -8.330 5.612 147 HB VAL 26 HB VAL 26 -17.053 -9.246 5.354 148 HG11 VAL 26 1HG1 VAL 26 -15.918 -11.855 4.427 149 HG12 VAL 26 2HG1 VAL 26 -17.574 -11.256 4.319 150 HG13 VAL 26 3HG1 VAL 26 -16.324 -10.591 3.267 151 HG21 VAL 26 1HG2 VAL 26 -15.403 -11.440 6.568 152 HG22 VAL 26 2HG2 VAL 26 -15.526 -9.850 7.321 153 HG23 VAL 26 3HG2 VAL 26 -16.975 -10.826 7.080 154 H LEU 27 H LEU 27 -14.215 -10.737 3.092 155 HA LEU 27 HA LEU 27 -12.446 -12.343 4.607 156 HB2 LEU 27 1HB LEU 27 -13.670 -12.703 2.285 157 HB3 LEU 27 2HB LEU 27 -12.129 -12.118 1.660 158 HG LEU 27 HG LEU 27 -12.488 -14.527 3.442 159 HD11 LEU 27 1HD1 LEU 27 -11.432 -15.082 0.842 160 HD12 LEU 27 2HD1 LEU 27 -12.974 -14.240 0.690 161 HD13 LEU 27 3HD1 LEU 27 -12.874 -15.733 1.624 162 HD21 LEU 27 1HD2 LEU 27 -10.160 -12.995 2.546 163 HD22 LEU 27 2HD2 LEU 27 -10.047 -14.728 2.241 164 HD23 LEU 27 3HD2 LEU 27 -10.325 -14.137 3.880 165 H LYS 28 H LYS 28 -11.778 -9.934 2.062 166 HA LYS 28 HA LYS 28 -8.967 -9.942 2.541 167 HB2 LYS 28 1HB LYS 28 -10.401 -9.192 0.438 168 HB3 LYS 28 2HB LYS 28 -10.305 -7.622 1.225 169 HG2 LYS 28 1HG LYS 28 -8.052 -7.435 0.891 170 HG3 LYS 28 2HG LYS 28 -7.800 -9.182 0.856 171 HD2 LYS 28 1HD LYS 28 -8.559 -9.362 -1.351 172 HD3 LYS 28 2HD LYS 28 -9.349 -7.784 -1.303 173 HE2 LYS 28 1HE LYS 28 -7.173 -6.687 -1.216 174 HE3 LYS 28 2HE LYS 28 -6.369 -8.256 -1.215 175 HZ1 LYS 28 1HZ LYS 28 -7.323 -8.689 -3.404 176 HZ2 LYS 28 2HZ LYS 28 -6.365 -7.295 -3.417 177 HZ3 LYS 28 3HZ LYS 28 -8.052 -7.163 -3.405 178 H LYS 29 H LYS 29 -7.783 -8.774 3.922 179 HA LYS 29 HA LYS 29 -9.188 -6.872 5.656 180 HB2 LYS 29 1HB LYS 29 -6.591 -8.376 5.976 181 HB3 LYS 29 2HB LYS 29 -7.107 -7.111 7.084 182 HG2 LYS 29 1HG LYS 29 -8.576 -9.678 6.518 183 HG3 LYS 29 2HG LYS 29 -7.634 -9.310 7.964 184 HD2 LYS 29 1HD LYS 29 -9.201 -7.319 8.271 185 HD3 LYS 29 2HD LYS 29 -10.227 -8.087 7.056 186 HE2 LYS 29 1HE LYS 29 -11.063 -8.790 9.148 187 HE3 LYS 29 2HE LYS 29 -10.158 -10.160 8.506 188 HZ1 LYS 29 1HZ LYS 29 -8.586 -8.371 10.129 189 HZ2 LYS 29 2HZ LYS 29 -8.687 -10.059 10.166 190 HZ3 LYS 29 3HZ LYS 29 -9.845 -9.125 10.972 191 H ARG 30 H ARG 30 -8.961 -4.778 5.271 192 HA ARG 30 HA ARG 30 -7.292 -3.675 3.333 193 HB2 ARG 30 1HB ARG 30 -9.379 -2.708 4.605 194 HB3 ARG 30 2HB ARG 30 -8.162 -2.041 5.685 195 HG2 ARG 30 1HG ARG 30 -7.382 -0.573 4.131 196 HG3 ARG 30 2HG ARG 30 -7.806 -1.615 2.772 197 HD2 ARG 30 1HD ARG 30 -9.413 -0.021 2.521 198 HD3 ARG 30 2HD ARG 30 -10.260 -1.104 3.625 199 HE ARG 30 HE ARG 30 -8.728 1.092 4.786 200 HH11 ARG 30 2HH1 ARG 30 -11.817 -0.259 3.916 201 HH12 ARG 30 1HH1 ARG 30 -12.719 0.808 4.941 202 HH21 ARG 30 2HH2 ARG 30 -9.904 2.502 6.139 203 HH22 ARG 30 1HH2 ARG 30 -11.630 2.379 6.204 204 H ARG 31 H ARG 31 -5.160 -3.493 3.303 205 HA ARG 31 HA ARG 31 -3.662 -3.545 5.803 206 HB2 ARG 31 1HB ARG 31 -2.962 -3.945 2.917 207 HB3 ARG 31 2HB ARG 31 -1.697 -3.564 4.077 208 HG2 ARG 31 1HG ARG 31 -1.922 -5.566 5.189 209 HG3 ARG 31 2HG ARG 31 -3.586 -5.798 4.649 210 HD2 ARG 31 1HD ARG 31 -2.553 -7.307 3.293 211 HD3 ARG 31 2HD ARG 31 -2.411 -5.874 2.276 212 HE ARG 31 HE ARG 31 -0.136 -5.863 2.643 213 HH11 ARG 31 2HH1 ARG 31 -1.674 -8.146 4.773 214 HH12 ARG 31 1HH1 ARG 31 -0.185 -8.866 5.289 215 HH21 ARG 31 2HH2 ARG 31 1.831 -6.802 3.314 216 HH22 ARG 31 1HH2 ARG 31 1.808 -8.100 4.460 217 H SER 32 H SER 32 -1.846 -2.053 6.113 218 HA SER 32 HA SER 32 -2.402 0.604 4.963 219 HB2 SER 32 1HB SER 32 -1.600 -0.139 7.780 220 HB3 SER 32 2HB SER 32 -1.516 1.509 7.159 221 HG SER 32 HG SER 32 -3.488 1.253 8.158 222 H CYS 33 H CYS 33 -0.728 1.720 4.131 223 HA CYS 33 HA CYS 33 1.732 0.368 3.653 224 HB2 CYS 33 1HB CYS 33 0.654 1.999 2.079 225 HB3 CYS 33 2HB CYS 33 1.111 3.290 3.186 226 H SER 34 H SER 34 3.875 1.394 4.091 227 HA SER 34 HA SER 34 3.943 2.335 6.874 228 HB2 SER 34 1HB SER 34 5.193 0.192 5.941 229 HB3 SER 34 2HB SER 34 6.399 1.385 5.460 230 HG SER 34 HG SER 34 7.018 1.434 7.455 231 H ASN 35 H ASN 35 4.889 3.117 3.615 232 HA ASN 35 HA ASN 35 6.524 5.366 4.441 233 HB2 ASN 35 1HB ASN 35 7.239 4.122 2.487 234 HB3 ASN 35 2HB ASN 35 5.682 4.384 1.706 235 HD21 ASN 35 1HD2 ASN 35 5.986 5.698 0.063 236 HD22 ASN 35 2HD2 ASN 35 6.894 7.168 0.091 237 H CYS 36 H CYS 36 3.936 5.250 2.007 238 HA CYS 36 HA CYS 36 3.215 7.957 2.395 239 HB2 CYS 36 1HB CYS 36 1.452 7.555 0.830 240 HB3 CYS 36 2HB CYS 36 2.837 6.603 0.303 241 H GLY 37 H GLY 37 1.942 4.921 3.651 242 HA2 GLY 37 1HA GLY 37 0.744 4.605 5.619 243 HA3 GLY 37 2HA GLY 37 0.630 6.350 5.798 244 H ASN 38 H ASN 38 -0.347 4.468 2.978 245 HA ASN 38 HA ASN 38 -3.115 5.352 3.464 246 HB2 ASN 38 1HB ASN 38 -2.055 4.551 0.766 247 HB3 ASN 38 2HB ASN 38 -3.447 5.560 1.148 248 HD21 ASN 38 1HD2 ASN 38 -1.375 6.218 -0.657 249 HD22 ASN 38 2HD2 ASN 38 -0.568 7.618 -0.046 250 H SER 39 H SER 39 -4.732 3.884 2.233 251 HA SER 39 HA SER 39 -4.375 1.221 3.285 252 HB2 SER 39 1HB SER 39 -6.691 2.334 1.684 253 HB3 SER 39 2HB SER 39 -6.693 0.862 2.655 254 HG SER 39 HG SER 39 -7.500 3.060 3.529 255 H PHE 40 H PHE 40 -4.370 -0.700 2.109 256 HA PHE 40 HA PHE 40 -4.405 -0.681 -0.768 257 HB2 PHE 40 1HB PHE 40 -1.829 -1.150 0.736 258 HB3 PHE 40 2HB PHE 40 -2.086 -1.704 -0.916 259 HD1 PHE 40 1HD PHE 40 -2.515 -0.023 -2.713 260 HD2 PHE 40 2HD PHE 40 -1.270 1.084 1.204 261 HE1 PHE 40 1HE PHE 40 -1.818 2.180 -3.560 262 HE2 PHE 40 2HE PHE 40 -0.573 3.289 0.363 263 HZ PHE 40 HZ PHE 40 -0.847 3.839 -2.022 264 H CYS 41 H CYS 41 -4.102 -2.879 -1.668 265 HA CYS 41 HA CYS 41 -5.466 -4.801 -0.013 266 HB2 CYS 41 1HB CYS 41 -5.401 -6.226 -2.042 267 HB3 CYS 41 2HB CYS 41 -6.072 -4.629 -2.356 268 H SER 42 H SER 42 -4.541 -7.215 -0.563 269 HA SER 42 HA SER 42 -2.060 -7.312 0.918 270 HB2 SER 42 1HB SER 42 -4.034 -9.379 -0.021 271 HB3 SER 42 2HB SER 42 -2.462 -9.856 0.619 272 HG SER 42 HG SER 42 -4.131 -9.761 2.223 273 H ARG 43 H ARG 43 -2.731 -6.867 -2.243 274 HA ARG 43 HA ARG 43 -0.470 -8.483 -3.199 275 HB2 ARG 43 1HB ARG 43 -2.899 -8.418 -4.267 276 HB3 ARG 43 2HB ARG 43 -2.251 -6.995 -5.071 277 HG2 ARG 43 1HG ARG 43 -0.629 -9.478 -5.128 278 HG3 ARG 43 2HG ARG 43 -2.078 -9.404 -6.133 279 HD2 ARG 43 1HD ARG 43 -1.274 -7.495 -7.296 280 HD3 ARG 43 2HD ARG 43 0.042 -7.268 -6.144 281 HE ARG 43 HE ARG 43 0.384 -9.781 -7.255 282 HH11 ARG 43 2HH1 ARG 43 0.324 -6.474 -8.343 283 HH12 ARG 43 1HH1 ARG 43 1.416 -6.750 -9.659 284 HH21 ARG 43 2HH2 ARG 43 1.823 -10.157 -8.985 285 HH22 ARG 43 1HH2 ARG 43 2.268 -8.846 -10.024 286 H CYS 44 H CYS 44 -1.611 -5.236 -2.741 287 HA CYS 44 HA CYS 44 0.608 -4.102 -4.256 288 HB2 CYS 44 1HB CYS 44 -1.736 -2.840 -2.827 289 HB3 CYS 44 2HB CYS 44 -0.463 -1.912 -3.612 290 H CYS 45 H CYS 45 -0.538 -4.417 -0.943 291 HA CYS 45 HA CYS 45 1.760 -2.939 0.072 292 HB2 CYS 45 1HB CYS 45 -0.480 -2.566 1.066 293 HB3 CYS 45 2HB CYS 45 -0.513 -4.249 1.578 294 HG CYS 45 HG CYS 45 2.079 -3.626 3.001 295 H SER 46 H SER 46 2.459 -5.267 -1.270 296 HA SER 46 HA SER 46 3.392 -6.970 0.947 297 HB2 SER 46 1HB SER 46 2.190 -7.696 -1.675 298 HB3 SER 46 2HB SER 46 3.521 -8.700 -1.098 299 HG SER 46 HG SER 46 2.063 -9.629 0.085 300 H PHE 47 H PHE 47 4.822 -4.749 0.156 301 HA PHE 47 HA PHE 47 7.112 -5.963 -1.245 302 HB2 PHE 47 1HB PHE 47 6.056 -3.140 -1.403 303 HB3 PHE 47 2HB PHE 47 7.674 -3.581 -1.940 304 HD1 PHE 47 2HD PHE 47 7.997 -4.969 -3.908 305 HD2 PHE 47 1HD PHE 47 4.106 -3.795 -2.643 306 HE1 PHE 47 2HE PHE 47 7.091 -5.620 -6.101 307 HE2 PHE 47 1HE PHE 47 3.194 -4.444 -4.834 308 HZ PHE 47 HZ PHE 47 4.687 -5.357 -6.567 309 H LYS 48 H LYS 48 8.729 -6.299 0.114 310 HA LYS 48 HA LYS 48 8.910 -4.876 2.618 311 HB2 LYS 48 1HB LYS 48 10.502 -7.094 1.349 312 HB3 LYS 48 2HB LYS 48 11.029 -6.320 2.839 313 HG2 LYS 48 1HG LYS 48 8.884 -6.946 3.884 314 HG3 LYS 48 2HG LYS 48 8.441 -7.795 2.402 315 HD2 LYS 48 1HD LYS 48 9.314 -9.538 3.594 316 HD3 LYS 48 2HD LYS 48 10.781 -8.963 2.799 317 HE2 LYS 48 1HE LYS 48 11.534 -9.094 4.950 318 HE3 LYS 48 2HE LYS 48 10.928 -7.439 4.949 319 HZ1 LYS 48 1HZ LYS 48 9.030 -8.056 6.120 320 HZ2 LYS 48 2HZ LYS 48 10.260 -8.941 6.872 321 HZ3 LYS 48 3HZ LYS 48 9.219 -9.703 5.778 322 H VAL 49 H VAL 49 10.003 -3.061 2.940 323 HA VAL 49 HA VAL 49 12.419 -2.519 1.391 324 HB VAL 49 HB VAL 49 11.768 -0.295 0.767 325 HG11 VAL 49 1HG1 VAL 49 9.757 -2.408 0.038 326 HG12 VAL 49 2HG1 VAL 49 9.768 -0.807 -0.706 327 HG13 VAL 49 3HG1 VAL 49 11.164 -1.872 -0.880 328 HG21 VAL 49 1HG2 VAL 49 9.026 -0.768 1.904 329 HG22 VAL 49 2HG2 VAL 49 10.309 0.011 2.831 330 HG23 VAL 49 3HG2 VAL 49 9.733 0.745 1.334 331 HA PRO 50 HA PRO 50 13.936 -1.004 5.226 332 HB2 PRO 50 1HB PRO 50 15.790 0.778 4.357 333 HB3 PRO 50 2HB PRO 50 16.012 -0.972 4.242 334 HG2 PRO 50 1HG PRO 50 15.129 0.967 2.140 335 HG3 PRO 50 2HG PRO 50 16.271 -0.384 2.008 336 HD2 PRO 50 1HD PRO 50 13.705 -0.556 1.159 337 HD3 PRO 50 2HD PRO 50 14.590 -1.949 1.813 338 H LYS 51 H LYS 51 12.738 0.255 6.505 339 HA LYS 51 HA LYS 51 11.190 2.416 5.803 340 HB2 LYS 51 1HB LYS 51 11.447 3.093 8.265 341 HB3 LYS 51 2HB LYS 51 10.791 1.497 7.924 342 HG2 LYS 51 1HG LYS 51 12.967 0.495 8.362 343 HG3 LYS 51 2HG LYS 51 13.646 2.094 8.677 344 HD2 LYS 51 1HD LYS 51 13.190 1.321 10.812 345 HD3 LYS 51 2HD LYS 51 11.749 2.269 10.442 346 HE2 LYS 51 1HE LYS 51 10.578 0.220 9.785 347 HE3 LYS 51 2HE LYS 51 12.019 -0.723 10.163 348 HZ1 LYS 51 1HZ LYS 51 11.806 -0.241 12.439 349 HZ2 LYS 51 2HZ LYS 51 10.247 -0.648 11.926 350 HZ3 LYS 51 3HZ LYS 51 10.658 0.974 12.172 351 H SER 52 H SER 52 14.604 2.337 6.581 352 HA SER 52 HA SER 52 15.007 5.101 6.934 353 HB2 SER 52 1HB SER 52 17.398 4.583 6.418 354 HB3 SER 52 2HB SER 52 16.699 3.521 7.640 355 HG SER 52 HG SER 52 17.584 2.089 6.319 356 H SER 53 H SER 53 16.198 6.540 5.460 357 HA SER 53 HA SER 53 16.393 7.683 3.502 358 HB2 SER 53 1HB SER 53 16.316 4.860 2.439 359 HB3 SER 53 2HB SER 53 16.510 6.258 1.381 360 HG SER 53 HG SER 53 18.238 5.321 3.408 361 H MET 54 H MET 54 13.813 7.380 4.688 362 HA MET 54 HA MET 54 12.140 7.664 2.283 363 HB2 MET 54 1HB MET 54 11.516 6.234 4.855 364 HB3 MET 54 2HB MET 54 10.237 6.842 3.813 365 HG2 MET 54 1HG MET 54 11.623 5.503 1.987 366 HG3 MET 54 2HG MET 54 12.106 4.585 3.411 367 HE1 MET 54 1HE MET 54 10.072 3.972 5.272 368 HE2 MET 54 2HE MET 54 9.119 5.417 4.938 369 HE3 MET 54 3HE MET 54 8.382 3.821 4.789 370 H GLY 55 H GLY 55 13.468 9.796 3.461 371 HA2 GLY 55 1HA GLY 55 12.534 12.007 3.660 372 HA3 GLY 55 2HA GLY 55 11.184 11.310 4.542 373 H ALA 56 H ALA 56 11.330 11.008 6.730 374 HA ALA 56 HA ALA 56 13.768 12.073 7.997 375 HB1 ALA 56 1HB ALA 56 12.138 13.567 8.626 376 HB2 ALA 56 2HB ALA 56 10.877 12.335 8.682 377 HB3 ALA 56 3HB ALA 56 12.084 12.420 9.965 378 H THR 57 H THR 57 14.913 10.208 8.330 379 HA THR 57 HA THR 57 13.758 8.341 10.279 380 HB THR 57 HB THR 57 14.926 6.455 9.091 381 HG1 THR 57 1HG THR 57 14.967 8.262 6.890 382 HG21 THR 57 1HG2 THR 57 12.937 5.949 8.207 383 HG22 THR 57 2HG2 THR 57 13.052 7.259 7.033 384 HG23 THR 57 3HG2 THR 57 12.419 7.575 8.648 385 H ALA 58 H ALA 58 15.691 6.722 10.898 386 HA ALA 58 HA ALA 58 18.010 8.435 11.515 387 HB1 ALA 58 1HB ALA 58 16.253 7.188 13.287 388 HB2 ALA 58 2HB ALA 58 17.725 6.216 13.330 389 HB3 ALA 58 3HB ALA 58 17.799 7.945 13.672 390 HA PRO 59 HA PRO 59 20.674 5.519 9.599 391 HB2 PRO 59 1HB PRO 59 22.891 5.727 11.153 392 HB3 PRO 59 2HB PRO 59 22.390 6.988 10.020 393 HG2 PRO 59 1HG PRO 59 21.976 6.827 12.981 394 HG3 PRO 59 2HG PRO 59 22.459 8.218 11.992 395 HD2 PRO 59 1HD PRO 59 19.923 7.867 12.873 396 HD3 PRO 59 2HD PRO 59 20.296 8.656 11.327 397 H GLU 60 H GLU 60 19.293 4.957 12.559 398 HA GLU 60 HA GLU 60 20.788 2.559 13.215 399 HB2 GLU 60 1HB GLU 60 20.013 3.870 15.072 400 HB3 GLU 60 2HB GLU 60 18.365 3.860 14.460 401 HG2 GLU 60 1HG GLU 60 18.186 2.262 16.059 402 HG3 GLU 60 2HG GLU 60 18.658 1.253 14.693 403 H ALA 61 H ALA 61 17.467 3.374 12.229 404 HA ALA 61 HA ALA 61 16.686 0.641 11.921 405 HB1 ALA 61 1HB ALA 61 14.929 2.226 10.429 406 HB2 ALA 61 2HB ALA 61 14.705 1.633 12.075 407 HB3 ALA 61 3HB ALA 61 15.423 3.221 11.800 408 H GLN 62 H GLN 62 18.631 0.120 10.566 409 HA GLN 62 HA GLN 62 18.231 0.834 7.743 410 HB2 GLN 62 1HB GLN 62 20.663 -0.396 9.051 411 HB3 GLN 62 2HB GLN 62 20.539 0.148 7.383 412 HG2 GLN 62 1HG GLN 62 20.021 2.087 9.582 413 HG3 GLN 62 2HG GLN 62 21.682 1.635 9.200 414 HE21 GLN 62 1HE2 GLN 62 22.504 2.114 7.128 415 HE22 GLN 62 2HE2 GLN 62 21.800 3.353 6.152 416 H ARG 63 H ARG 63 19.286 -1.979 9.672 417 HA ARG 63 HA ARG 63 18.839 -3.883 7.661 418 HB2 ARG 63 1HB ARG 63 20.128 -4.081 9.907 419 HB3 ARG 63 2HB ARG 63 18.566 -4.528 10.581 420 HG2 ARG 63 1HG ARG 63 19.680 -6.542 10.072 421 HG3 ARG 63 2HG ARG 63 18.449 -6.327 8.825 422 HD2 ARG 63 1HD ARG 63 20.411 -7.014 7.701 423 HD3 ARG 63 2HD ARG 63 20.253 -5.284 7.400 424 HE ARG 63 HE ARG 63 21.917 -5.967 9.657 425 HH11 ARG 63 2HH1 ARG 63 21.791 -5.351 6.232 426 HH12 ARG 63 1HH1 ARG 63 23.467 -4.928 6.115 427 HH21 ARG 63 2HH2 ARG 63 24.125 -5.413 9.515 428 HH22 ARG 63 1HH2 ARG 63 24.794 -4.965 7.982 429 H GLU 64 H GLU 64 16.706 -2.448 10.030 430 HA GLU 64 HA GLU 64 14.602 -4.269 9.990 431 HB2 GLU 64 1HB GLU 64 15.006 -2.019 11.333 432 HB3 GLU 64 2HB GLU 64 13.990 -1.350 10.064 433 HG2 GLU 64 1HG GLU 64 12.494 -1.872 11.754 434 HG3 GLU 64 2HG GLU 64 12.355 -3.231 10.641 435 H THR 65 H THR 65 12.596 -4.260 8.858 436 HA THR 65 HA THR 65 12.597 -2.842 6.286 437 HB THR 65 HB THR 65 11.640 -4.946 5.236 438 HG1 THR 65 1HG THR 65 11.193 -6.204 7.011 439 HG21 THR 65 1HG2 THR 65 13.692 -5.443 4.427 440 HG22 THR 65 2HG2 THR 65 14.382 -5.676 6.034 441 HG23 THR 65 3HG2 THR 65 14.191 -4.048 5.383 442 H VAL 66 H VAL 66 10.486 -2.677 5.290 443 HA VAL 66 HA VAL 66 8.209 -3.237 7.044 444 HB VAL 66 HB VAL 66 7.281 -0.969 6.618 445 HG11 VAL 66 1HG1 VAL 66 9.161 -1.770 8.502 446 HG12 VAL 66 2HG1 VAL 66 9.717 -0.185 7.962 447 HG13 VAL 66 3HG1 VAL 66 8.086 -0.377 8.606 448 HG21 VAL 66 1HG2 VAL 66 9.954 0.107 5.968 449 HG22 VAL 66 2HG2 VAL 66 9.115 -0.742 4.669 450 HG23 VAL 66 3HG2 VAL 66 8.356 0.645 5.450 451 H PHE 67 H PHE 67 6.123 -3.013 5.935 452 HA PHE 67 HA PHE 67 6.378 -3.811 3.128 453 HB2 PHE 67 1HB PHE 67 4.169 -4.159 5.155 454 HB3 PHE 67 2HB PHE 67 3.960 -4.531 3.447 455 HD1 PHE 67 1HD PHE 67 6.001 -5.372 6.425 456 HD2 PHE 67 2HD PHE 67 4.624 -6.593 2.587 457 HE1 PHE 67 1HE PHE 67 6.941 -7.614 6.805 458 HE2 PHE 67 2HE PHE 67 5.560 -8.837 2.961 459 HZ PHE 67 HZ PHE 67 6.720 -9.350 5.072 460 H VAL 68 H VAL 68 6.062 -2.308 1.638 461 HA VAL 68 HA VAL 68 4.229 -0.081 2.240 462 HB VAL 68 HB VAL 68 5.445 1.256 0.621 463 HG11 VAL 68 1HG1 VAL 68 6.418 1.649 2.647 464 HG12 VAL 68 2HG1 VAL 68 6.900 -0.034 2.868 465 HG13 VAL 68 3HG1 VAL 68 7.812 1.011 1.776 466 HG21 VAL 68 1HG2 VAL 68 6.154 -1.074 -0.554 467 HG22 VAL 68 2HG2 VAL 68 6.943 0.471 -0.869 468 HG23 VAL 68 3HG2 VAL 68 7.651 -0.661 0.282 469 H CYS 69 H CYS 69 3.434 0.937 0.043 470 HA CYS 69 HA CYS 69 2.017 -1.206 -1.331 471 HB2 CYS 69 1HB CYS 69 0.529 0.493 -2.137 472 HB3 CYS 69 2HB CYS 69 0.821 0.811 -0.430 473 H ALA 70 H ALA 70 2.159 -1.642 -3.492 474 HA ALA 70 HA ALA 70 4.420 -1.584 -4.892 475 HB1 ALA 70 1HB ALA 70 3.232 -2.176 -6.735 476 HB2 ALA 70 2HB ALA 70 1.952 -2.338 -5.532 477 HB3 ALA 70 3HB ALA 70 2.049 -0.884 -6.526 478 H SER 71 H SER 71 1.997 1.017 -5.218 479 HA SER 71 HA SER 71 3.246 2.704 -6.934 480 HB2 SER 71 1HB SER 71 1.606 3.296 -4.480 481 HB3 SER 71 2HB SER 71 2.219 4.595 -5.503 482 HG SER 71 HG SER 71 0.988 3.888 -7.161 483 H CYS 72 H CYS 72 3.877 2.459 -3.452 484 HA CYS 72 HA CYS 72 5.935 4.461 -3.508 485 HB2 CYS 72 1HB CYS 72 5.140 2.457 -1.387 486 HB3 CYS 72 2HB CYS 72 6.350 3.716 -1.159 487 H ASN 73 H ASN 73 6.052 0.992 -2.672 488 HA ASN 73 HA ASN 73 8.671 0.490 -2.538 489 HB2 ASN 73 1HB ASN 73 7.115 -1.323 -2.351 490 HB3 ASN 73 2HB ASN 73 6.604 -1.136 -4.025 491 HD21 ASN 73 1HD2 ASN 73 7.828 -1.995 -5.652 492 HD22 ASN 73 2HD2 ASN 73 9.172 -3.045 -5.371 493 H GLN 74 H GLN 74 6.912 1.034 -5.553 494 HA GLN 74 HA GLN 74 9.106 0.515 -7.274 495 HB2 GLN 74 1HB GLN 74 6.523 2.021 -7.657 496 HB3 GLN 74 2HB GLN 74 7.703 1.825 -8.945 497 HG2 GLN 74 1HG GLN 74 7.477 -0.718 -8.309 498 HG3 GLN 74 2HG GLN 74 5.918 -0.184 -7.682 499 HE21 GLN 74 1HE2 GLN 74 4.941 1.532 -9.370 500 HE22 GLN 74 2HE2 GLN 74 4.811 0.896 -10.971 501 H THR 75 H THR 75 7.747 3.494 -5.915 502 HA THR 75 HA THR 75 9.502 5.271 -7.233 503 HB THR 75 HB THR 75 8.066 5.659 -4.599 504 HG1 THR 75 1HG THR 75 6.374 5.708 -5.862 505 HG21 THR 75 1HG2 THR 75 9.240 7.562 -4.502 506 HG22 THR 75 2HG2 THR 75 8.292 8.099 -5.889 507 HG23 THR 75 3HG2 THR 75 9.867 7.345 -6.136 508 H LEU 76 H LEU 76 9.628 3.742 -4.034 509 HA LEU 76 HA LEU 76 11.931 5.014 -3.088 510 HB2 LEU 76 1HB LEU 76 10.935 2.229 -2.506 511 HB3 LEU 76 2HB LEU 76 12.142 3.099 -1.561 512 HG LEU 76 HG LEU 76 9.318 4.084 -1.913 513 HD11 LEU 76 1HD1 LEU 76 10.232 2.749 0.585 514 HD12 LEU 76 2HD1 LEU 76 9.707 1.751 -0.771 515 HD13 LEU 76 3HD1 LEU 76 8.604 2.935 -0.069 516 HD21 LEU 76 1HD2 LEU 76 10.069 5.131 0.369 517 HD22 LEU 76 2HD2 LEU 76 10.532 5.880 -1.159 518 HD23 LEU 76 3HD2 LEU 76 11.687 4.873 -0.284 519 H SER 77 H SER 77 11.642 1.798 -4.605 520 HA SER 77 HA SER 77 14.511 1.625 -4.929 521 HB2 SER 77 1HB SER 77 12.220 -0.210 -5.617 522 HB3 SER 77 2HB SER 77 13.872 -0.552 -6.131 523 HG SER 77 HG SER 77 12.722 -0.848 -3.685 524 H LYS 78 H LYS 78 13.707 3.835 -6.250 525 HA LYS 78 HA LYS 78 13.872 3.040 -9.083 526 HB2 LYS 78 1HB LYS 78 11.707 4.052 -8.636 527 HB3 LYS 78 2HB LYS 78 12.480 5.441 -7.884 528 HG2 LYS 78 1HG LYS 78 12.069 6.318 -9.933 529 HG3 LYS 78 2HG LYS 78 13.654 5.608 -10.249 530 HD2 LYS 78 1HD LYS 78 11.250 3.910 -10.673 531 HD3 LYS 78 2HD LYS 78 11.586 5.182 -11.850 532 HE2 LYS 78 1HE LYS 78 13.925 4.254 -12.006 533 HE3 LYS 78 2HE LYS 78 13.360 2.883 -11.053 534 HZ1 LYS 78 1HZ LYS 78 11.567 2.694 -12.850 535 HZ2 LYS 78 2HZ LYS 78 13.131 2.173 -13.231 536 HZ3 LYS 78 3HZ LYS 78 12.580 3.674 -13.786 537 H SER 79 H SER 79 16.154 3.098 -9.002 538 HA SER 79 HA SER 79 17.726 5.172 -8.029 539 HB2 SER 79 1HB SER 79 19.499 4.311 -9.449 540 HB3 SER 79 2HB SER 79 18.584 2.958 -8.782 541 HG SER 79 HG SER 79 18.740 2.494 -10.900 542 H GLY 80 H GLY 80 19.208 6.484 -9.632 543 HA2 GLY 80 1HA GLY 80 19.326 7.840 -11.589 544 HA3 GLY 80 2HA GLY 80 17.589 7.655 -11.784 545 HA PRO 81 HA PRO 81 18.188 11.880 -10.120 546 HB2 PRO 81 1HB PRO 81 16.102 12.942 -11.495 547 HB3 PRO 81 2HB PRO 81 17.715 12.750 -12.193 548 HG2 PRO 81 1HG PRO 81 15.295 11.017 -12.513 549 HG3 PRO 81 2HG PRO 81 16.459 11.551 -13.739 550 HD2 PRO 81 1HD PRO 81 16.544 9.084 -12.626 551 HD3 PRO 81 2HD PRO 81 18.005 9.945 -13.152 552 H SER 82 H SER 82 16.529 13.335 -9.064 553 HA SER 82 HA SER 82 14.960 11.758 -7.241 554 HB2 SER 82 1HB SER 82 16.300 13.893 -6.700 555 HB3 SER 82 2HB SER 82 14.936 14.768 -7.395 556 HG SER 82 HG SER 82 15.118 13.342 -5.019 557 H SER 83 H SER 83 13.131 10.918 -8.054 558 HA SER 83 HA SER 83 11.366 12.652 -9.637 559 HB2 SER 83 1HB SER 83 12.165 10.272 -10.391 560 HB3 SER 83 2HB SER 83 10.906 9.708 -9.293 561 HG SER 83 HG SER 83 9.596 11.385 -10.556 562 H GLY 84 H GLY 84 11.136 10.157 -7.093 563 HA2 GLY 84 1HA GLY 84 8.485 10.745 -6.356 564 HA3 GLY 84 2HA GLY 84 9.660 9.905 -5.354 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -25.822 39.823 -14.469 2 HA2 GLY 1 1HA GLY 1 -25.787 37.594 -15.965 3 HA3 GLY 1 2HA GLY 1 -24.089 37.757 -15.542 4 H SER 2 H SER 2 -23.437 37.473 -13.392 5 HA SER 2 HA SER 2 -23.468 36.130 -11.518 6 HB2 SER 2 1HB SER 2 -24.303 38.429 -10.843 7 HB3 SER 2 2HB SER 2 -25.935 37.761 -10.897 8 HG SER 2 HG SER 2 -24.083 37.552 -8.959 9 H SER 3 H SER 3 -24.673 34.759 -13.606 10 HA SER 3 HA SER 3 -26.920 33.403 -12.264 11 HB2 SER 3 1HB SER 3 -26.406 34.022 -15.149 12 HB3 SER 3 2HB SER 3 -27.344 32.588 -14.732 13 HG SER 3 HG SER 3 -28.599 34.138 -13.373 14 H GLY 4 H GLY 4 -26.113 31.652 -11.286 15 HA2 GLY 4 1HA GLY 4 -25.545 29.284 -12.067 16 HA3 GLY 4 2HA GLY 4 -24.107 30.045 -12.732 17 H SER 5 H SER 5 -25.775 30.481 -9.621 18 HA SER 5 HA SER 5 -23.205 30.182 -8.268 19 HB2 SER 5 1HB SER 5 -25.880 31.003 -7.113 20 HB3 SER 5 2HB SER 5 -24.308 31.131 -6.323 21 HG SER 5 HG SER 5 -24.114 32.990 -7.256 22 H SER 6 H SER 6 -23.024 27.899 -8.562 23 HA SER 6 HA SER 6 -24.873 26.319 -6.900 24 HB2 SER 6 1HB SER 6 -24.587 25.815 -9.428 25 HB3 SER 6 2HB SER 6 -23.032 25.128 -8.960 26 HG SER 6 HG SER 6 -24.647 23.536 -8.956 27 H GLY 7 H GLY 7 -23.798 24.311 -5.950 28 HA2 GLY 7 1HA GLY 7 -20.987 24.703 -5.262 29 HA3 GLY 7 2HA GLY 7 -22.142 24.771 -3.939 30 H ARG 8 H ARG 8 -19.976 22.816 -5.286 31 HA ARG 8 HA ARG 8 -21.576 20.371 -4.967 32 HB2 ARG 8 1HB ARG 8 -19.742 19.230 -6.148 33 HB3 ARG 8 2HB ARG 8 -20.418 20.544 -7.101 34 HG2 ARG 8 1HG ARG 8 -18.213 20.952 -7.432 35 HG3 ARG 8 2HG ARG 8 -18.449 21.895 -5.959 36 HD2 ARG 8 1HD ARG 8 -17.779 19.769 -4.708 37 HD3 ARG 8 2HD ARG 8 -17.211 19.176 -6.268 38 HE ARG 8 HE ARG 8 -16.187 21.767 -5.506 39 HH11 ARG 8 2HH1 ARG 8 -15.711 18.319 -5.427 40 HH12 ARG 8 1HH1 ARG 8 -14.000 18.429 -5.180 41 HH21 ARG 8 2HH2 ARG 8 -13.935 21.925 -5.180 42 HH22 ARG 8 1HH2 ARG 8 -12.991 20.481 -5.038 43 H TYR 9 H TYR 9 -20.352 18.494 -3.998 44 HA TYR 9 HA TYR 9 -18.565 19.381 -1.836 45 HB2 TYR 9 1HB TYR 9 -20.863 17.433 -1.558 46 HB3 TYR 9 2HB TYR 9 -19.702 17.828 -0.295 47 HD1 TYR 9 1HD TYR 9 -19.500 20.465 0.157 48 HD2 TYR 9 2HD TYR 9 -22.899 18.507 -1.490 49 HE1 TYR 9 1HE TYR 9 -20.922 22.335 0.884 50 HE2 TYR 9 2HE TYR 9 -24.331 20.372 -0.769 51 HH TYR 9 HH TYR 9 -24.419 22.339 0.247 52 HA PRO 10 HA PRO 10 -15.958 16.088 -3.146 53 HB2 PRO 10 1HB PRO 10 -14.554 15.700 -0.855 54 HB3 PRO 10 2HB PRO 10 -14.309 17.099 -1.907 55 HG2 PRO 10 1HG PRO 10 -15.896 16.886 0.622 56 HG3 PRO 10 2HG PRO 10 -14.802 18.177 0.093 57 HD2 PRO 10 1HD PRO 10 -17.495 18.374 -0.111 58 HD3 PRO 10 2HD PRO 10 -16.390 19.135 -1.275 59 H THR 11 H THR 11 -15.244 13.867 -2.446 60 HA THR 11 HA THR 11 -17.262 12.523 -0.782 61 HB THR 11 HB THR 11 -16.299 11.550 -3.479 62 HG1 THR 11 1HG THR 11 -17.912 12.895 -3.964 63 HG21 THR 11 1HG2 THR 11 -18.425 9.979 -2.713 64 HG22 THR 11 2HG2 THR 11 -17.525 10.181 -1.210 65 HG23 THR 11 3HG2 THR 11 -16.725 9.517 -2.634 66 H ASN 12 H ASN 12 -16.337 11.378 0.777 67 HA ASN 12 HA ASN 12 -13.641 10.284 0.310 68 HB2 ASN 12 1HB ASN 12 -13.455 10.531 2.894 69 HB3 ASN 12 2HB ASN 12 -13.231 11.956 1.883 70 HD21 ASN 12 1HD2 ASN 12 -15.804 10.171 3.547 71 HD22 ASN 12 2HD2 ASN 12 -16.659 11.572 4.088 72 H ASN 13 H ASN 13 -15.937 8.841 -0.296 73 HA ASN 13 HA ASN 13 -15.853 6.758 1.781 74 HB2 ASN 13 1HB ASN 13 -18.038 8.148 1.619 75 HB3 ASN 13 2HB ASN 13 -18.321 7.243 0.134 76 HD21 ASN 13 1HD2 ASN 13 -18.255 7.153 3.570 77 HD22 ASN 13 2HD2 ASN 13 -18.870 5.549 3.757 78 H PHE 14 H PHE 14 -14.216 5.745 0.513 79 HA PHE 14 HA PHE 14 -15.208 4.537 -1.984 80 HB2 PHE 14 1HB PHE 14 -12.368 5.105 -1.113 81 HB3 PHE 14 2HB PHE 14 -12.805 4.228 -2.576 82 HD1 PHE 14 2HD PHE 14 -14.177 5.432 -4.329 83 HD2 PHE 14 1HD PHE 14 -12.272 7.435 -1.093 84 HE1 PHE 14 2HE PHE 14 -14.334 7.557 -5.558 85 HE2 PHE 14 1HE PHE 14 -12.426 9.564 -2.316 86 HZ PHE 14 HZ PHE 14 -13.457 9.627 -4.552 87 H GLY 15 H GLY 15 -12.815 3.807 0.567 88 HA2 GLY 15 1HA GLY 15 -12.470 1.889 1.791 89 HA3 GLY 15 2HA GLY 15 -14.076 1.366 1.306 90 H ASN 16 H ASN 16 -11.398 2.148 -0.852 91 HA ASN 16 HA ASN 16 -11.062 -0.699 -1.461 92 HB2 ASN 16 1HB ASN 16 -11.136 1.211 -3.755 93 HB3 ASN 16 2HB ASN 16 -11.523 -0.507 -3.713 94 HD21 ASN 16 1HD2 ASN 16 -13.358 -0.651 -1.721 95 HD22 ASN 16 2HD2 ASN 16 -14.772 0.244 -2.149 96 H CYS 17 H CYS 17 -9.105 -1.134 -2.751 97 HA CYS 17 HA CYS 17 -6.824 -0.035 -1.642 98 HB2 CYS 17 1HB CYS 17 -7.054 -2.197 -2.973 99 HB3 CYS 17 2HB CYS 17 -6.911 -1.206 -4.421 100 H THR 18 H THR 18 -5.101 1.218 -2.676 101 HA THR 18 HA THR 18 -6.234 3.442 -4.226 102 HB THR 18 HB THR 18 -3.643 3.380 -2.669 103 HG1 THR 18 1HG THR 18 -4.757 4.271 -1.019 104 HG21 THR 18 1HG2 THR 18 -3.196 5.290 -3.728 105 HG22 THR 18 2HG2 THR 18 -4.633 5.994 -2.986 106 HG23 THR 18 3HG2 THR 18 -4.744 5.228 -4.571 107 H GLY 19 H GLY 19 -4.829 0.677 -4.948 108 HA2 GLY 19 1HA GLY 19 -3.225 1.865 -7.126 109 HA3 GLY 19 2HA GLY 19 -2.679 0.440 -6.254 110 H CYS 20 H CYS 20 -5.367 -0.706 -6.084 111 HA CYS 20 HA CYS 20 -5.853 -1.347 -8.914 112 HB2 CYS 20 1HB CYS 20 -6.009 -3.688 -8.433 113 HB3 CYS 20 2HB CYS 20 -4.485 -3.116 -7.761 114 H SER 21 H SER 21 -7.172 0.252 -6.631 115 HA SER 21 HA SER 21 -9.249 0.455 -5.625 116 HB2 SER 21 1HB SER 21 -9.619 0.238 -8.590 117 HB3 SER 21 2HB SER 21 -11.035 0.416 -7.554 118 HG SER 21 HG SER 21 -8.802 2.146 -7.390 119 H ALA 22 H ALA 22 -8.568 -1.964 -4.879 120 HA ALA 22 HA ALA 22 -10.744 -3.780 -5.659 121 HB1 ALA 22 1HB ALA 22 -9.294 -5.484 -4.403 122 HB2 ALA 22 2HB ALA 22 -8.725 -4.906 -5.970 123 HB3 ALA 22 3HB ALA 22 -8.027 -4.259 -4.484 124 H THR 23 H THR 23 -12.461 -3.486 -4.380 125 HA THR 23 HA THR 23 -12.572 -2.376 -1.868 126 HB THR 23 HB THR 23 -14.397 -4.616 -2.740 127 HG1 THR 23 1HG THR 23 -15.430 -3.192 -4.029 128 HG21 THR 23 1HG2 THR 23 -15.320 -4.109 -0.757 129 HG22 THR 23 2HG2 THR 23 -15.897 -2.645 -1.555 130 HG23 THR 23 3HG2 THR 23 -14.406 -2.608 -0.615 131 H PHE 24 H PHE 24 -12.428 -3.092 0.218 132 HA PHE 24 HA PHE 24 -11.027 -5.618 0.599 133 HB2 PHE 24 1HB PHE 24 -11.649 -3.490 2.654 134 HB3 PHE 24 2HB PHE 24 -10.489 -4.805 2.807 135 HD1 PHE 24 1HD PHE 24 -8.458 -4.807 1.326 136 HD2 PHE 24 2HD PHE 24 -11.044 -1.445 1.687 137 HE1 PHE 24 1HE PHE 24 -6.690 -3.354 0.423 138 HE2 PHE 24 2HE PHE 24 -9.280 0.013 0.783 139 HZ PHE 24 HZ PHE 24 -7.100 -0.941 0.149 140 H SER 25 H SER 25 -12.170 -7.388 0.979 141 HA SER 25 HA SER 25 -14.775 -7.146 2.313 142 HB2 SER 25 1HB SER 25 -13.607 -9.343 0.593 143 HB3 SER 25 2HB SER 25 -15.151 -9.474 1.434 144 HG SER 25 HG SER 25 -14.909 -8.586 -0.912 145 H VAL 26 H VAL 26 -15.321 -9.280 3.569 146 HA VAL 26 HA VAL 26 -13.899 -9.330 5.916 147 HB VAL 26 HB VAL 26 -14.870 -11.691 6.209 148 HG11 VAL 26 1HG1 VAL 26 -16.396 -9.162 5.803 149 HG12 VAL 26 2HG1 VAL 26 -17.276 -10.653 6.141 150 HG13 VAL 26 3HG1 VAL 26 -16.074 -10.058 7.287 151 HG21 VAL 26 1HG2 VAL 26 -16.898 -11.593 4.327 152 HG22 VAL 26 2HG2 VAL 26 -15.446 -11.193 3.409 153 HG23 VAL 26 3HG2 VAL 26 -15.522 -12.696 4.327 154 H LEU 27 H LEU 27 -13.024 -10.724 2.919 155 HA LEU 27 HA LEU 27 -11.133 -12.593 4.114 156 HB2 LEU 27 1HB LEU 27 -12.227 -12.111 1.402 157 HB3 LEU 27 2HB LEU 27 -10.604 -12.790 1.508 158 HG LEU 27 HG LEU 27 -11.853 -14.479 3.149 159 HD11 LEU 27 1HD1 LEU 27 -14.024 -14.421 1.216 160 HD12 LEU 27 2HD1 LEU 27 -13.990 -12.996 2.254 161 HD13 LEU 27 3HD1 LEU 27 -14.070 -14.606 2.970 162 HD21 LEU 27 1HD2 LEU 27 -12.423 -15.679 0.790 163 HD22 LEU 27 2HD2 LEU 27 -10.813 -15.610 1.508 164 HD23 LEU 27 3HD2 LEU 27 -11.277 -14.444 0.268 165 H LYS 28 H LYS 28 -11.011 -9.911 1.764 166 HA LYS 28 HA LYS 28 -8.164 -9.684 1.945 167 HB2 LYS 28 1HB LYS 28 -9.820 -8.996 0.018 168 HB3 LYS 28 2HB LYS 28 -9.890 -7.475 0.898 169 HG2 LYS 28 1HG LYS 28 -7.731 -6.929 0.408 170 HG3 LYS 28 2HG LYS 28 -7.218 -8.613 0.276 171 HD2 LYS 28 1HD LYS 28 -9.189 -7.665 -1.717 172 HD3 LYS 28 2HD LYS 28 -7.555 -7.008 -1.846 173 HE2 LYS 28 1HE LYS 28 -7.325 -8.881 -3.133 174 HE3 LYS 28 2HE LYS 28 -6.889 -9.545 -1.560 175 HZ1 LYS 28 1HZ LYS 28 -9.576 -9.846 -1.626 176 HZ2 LYS 28 2HZ LYS 28 -8.451 -11.055 -1.992 177 HZ3 LYS 28 3HZ LYS 28 -9.146 -10.142 -3.235 178 H LYS 29 H LYS 29 -7.340 -9.103 3.867 179 HA LYS 29 HA LYS 29 -8.627 -7.242 5.619 180 HB2 LYS 29 1HB LYS 29 -5.911 -8.552 5.641 181 HB3 LYS 29 2HB LYS 29 -6.420 -7.411 6.878 182 HG2 LYS 29 1HG LYS 29 -7.906 -8.866 7.810 183 HG3 LYS 29 2HG LYS 29 -8.194 -9.719 6.291 184 HD2 LYS 29 1HD LYS 29 -5.482 -9.881 7.503 185 HD3 LYS 29 2HD LYS 29 -6.786 -10.804 8.253 186 HE2 LYS 29 1HE LYS 29 -6.295 -10.935 5.299 187 HE3 LYS 29 2HE LYS 29 -5.362 -11.928 6.418 188 HZ1 LYS 29 1HZ LYS 29 -7.777 -12.575 5.358 189 HZ2 LYS 29 2HZ LYS 29 -8.185 -12.039 6.910 190 HZ3 LYS 29 3HZ LYS 29 -7.073 -13.299 6.715 191 H ARG 30 H ARG 30 -8.615 -5.112 5.403 192 HA ARG 30 HA ARG 30 -7.199 -3.685 3.490 193 HB2 ARG 30 1HB ARG 30 -9.224 -3.048 5.083 194 HB3 ARG 30 2HB ARG 30 -7.938 -2.320 6.036 195 HG2 ARG 30 1HG ARG 30 -7.505 -0.708 4.481 196 HG3 ARG 30 2HG ARG 30 -8.046 -1.709 3.132 197 HD2 ARG 30 1HD ARG 30 -9.770 -0.204 3.251 198 HD3 ARG 30 2HD ARG 30 -10.379 -1.473 4.312 199 HE ARG 30 HE ARG 30 -10.076 -0.075 6.133 200 HH11 ARG 30 2HH1 ARG 30 -8.742 1.355 3.252 201 HH12 ARG 30 1HH1 ARG 30 -8.547 2.923 3.964 202 HH21 ARG 30 2HH2 ARG 30 -9.824 1.984 7.081 203 HH22 ARG 30 1HH2 ARG 30 -9.162 3.279 6.142 204 H ARG 31 H ARG 31 -5.055 -3.593 3.324 205 HA ARG 31 HA ARG 31 -3.403 -3.535 5.727 206 HB2 ARG 31 1HB ARG 31 -2.942 -4.140 2.849 207 HB3 ARG 31 2HB ARG 31 -1.586 -3.512 3.775 208 HG2 ARG 31 1HG ARG 31 -1.425 -5.381 5.076 209 HG3 ARG 31 2HG ARG 31 -3.136 -5.778 4.909 210 HD2 ARG 31 1HD ARG 31 -2.682 -6.349 2.516 211 HD3 ARG 31 2HD ARG 31 -0.964 -6.135 2.852 212 HE ARG 31 HE ARG 31 -2.621 -8.361 3.618 213 HH11 ARG 31 2HH1 ARG 31 0.295 -6.580 4.287 214 HH12 ARG 31 1HH1 ARG 31 1.084 -7.911 5.067 215 HH21 ARG 31 2HH2 ARG 31 -1.592 -10.121 4.643 216 HH22 ARG 31 1HH2 ARG 31 0.010 -9.925 5.267 217 H SER 32 H SER 32 -1.982 -1.886 6.237 218 HA SER 32 HA SER 32 -2.464 0.654 4.824 219 HB2 SER 32 1HB SER 32 -1.857 1.762 6.962 220 HB3 SER 32 2HB SER 32 -3.263 0.711 7.126 221 HG SER 32 HG SER 32 -2.035 0.119 8.798 222 H CYS 33 H CYS 33 -0.815 1.523 3.766 223 HA CYS 33 HA CYS 33 1.684 0.330 3.511 224 HB2 CYS 33 1HB CYS 33 0.660 1.977 1.922 225 HB3 CYS 33 2HB CYS 33 1.069 3.256 3.061 226 H SER 34 H SER 34 3.810 1.353 4.030 227 HA SER 34 HA SER 34 3.789 2.259 6.825 228 HB2 SER 34 1HB SER 34 5.685 0.626 5.195 229 HB3 SER 34 2HB SER 34 6.341 1.596 6.513 230 HG SER 34 HG SER 34 5.615 -0.647 6.991 231 H ASN 35 H ASN 35 4.890 3.056 3.609 232 HA ASN 35 HA ASN 35 6.478 5.302 4.518 233 HB2 ASN 35 1HB ASN 35 7.294 4.109 2.591 234 HB3 ASN 35 2HB ASN 35 5.755 4.305 1.757 235 HD21 ASN 35 1HD2 ASN 35 6.150 5.568 0.081 236 HD22 ASN 35 2HD2 ASN 35 6.969 7.088 0.135 237 H CYS 36 H CYS 36 3.963 5.189 2.004 238 HA CYS 36 HA CYS 36 3.241 7.899 2.351 239 HB2 CYS 36 1HB CYS 36 1.488 7.475 0.769 240 HB3 CYS 36 2HB CYS 36 2.896 6.546 0.264 241 H GLY 37 H GLY 37 1.868 4.876 3.559 242 HA2 GLY 37 1HA GLY 37 0.650 4.591 5.528 243 HA3 GLY 37 2HA GLY 37 0.543 6.338 5.685 244 H ASN 38 H ASN 38 -0.379 4.454 2.852 245 HA ASN 38 HA ASN 38 -3.142 5.388 3.243 246 HB2 ASN 38 1HB ASN 38 -1.891 4.484 0.645 247 HB3 ASN 38 2HB ASN 38 -3.420 5.331 0.862 248 HD21 ASN 38 1HD2 ASN 38 -1.228 6.112 -0.795 249 HD22 ASN 38 2HD2 ASN 38 -0.675 7.645 -0.219 250 H SER 39 H SER 39 -4.741 3.888 1.981 251 HA SER 39 HA SER 39 -4.476 1.269 3.188 252 HB2 SER 39 1HB SER 39 -6.817 0.972 2.195 253 HB3 SER 39 2HB SER 39 -6.634 2.218 3.429 254 HG SER 39 HG SER 39 -6.437 2.779 0.663 255 H PHE 40 H PHE 40 -4.366 -0.677 2.123 256 HA PHE 40 HA PHE 40 -4.444 -0.807 -0.758 257 HB2 PHE 40 1HB PHE 40 -1.858 -1.252 0.743 258 HB3 PHE 40 2HB PHE 40 -2.132 -1.778 -0.915 259 HD1 PHE 40 1HD PHE 40 -2.711 -0.006 -2.643 260 HD2 PHE 40 2HD PHE 40 -1.136 0.911 1.203 261 HE1 PHE 40 1HE PHE 40 -2.009 2.205 -3.462 262 HE2 PHE 40 2HE PHE 40 -0.433 3.124 0.391 263 HZ PHE 40 HZ PHE 40 -0.870 3.774 -1.944 264 H CYS 41 H CYS 41 -4.123 -3.047 -1.548 265 HA CYS 41 HA CYS 41 -5.399 -4.903 0.276 266 HB2 CYS 41 1HB CYS 41 -5.600 -6.361 -1.688 267 HB3 CYS 41 2HB CYS 41 -6.197 -4.742 -2.037 268 H SER 42 H SER 42 -4.545 -7.326 -0.232 269 HA SER 42 HA SER 42 -1.932 -7.392 0.981 270 HB2 SER 42 1HB SER 42 -2.300 -9.874 0.976 271 HB3 SER 42 2HB SER 42 -3.576 -8.965 1.784 272 HG SER 42 HG SER 42 -4.070 -9.292 -0.870 273 H ARG 43 H ARG 43 -2.749 -6.845 -2.061 274 HA ARG 43 HA ARG 43 -0.637 -8.544 -3.210 275 HB2 ARG 43 1HB ARG 43 -3.137 -8.484 -4.077 276 HB3 ARG 43 2HB ARG 43 -2.570 -7.052 -4.926 277 HG2 ARG 43 1HG ARG 43 -0.639 -8.610 -5.708 278 HG3 ARG 43 2HG ARG 43 -1.762 -9.900 -5.271 279 HD2 ARG 43 1HD ARG 43 -3.354 -9.196 -6.845 280 HD3 ARG 43 2HD ARG 43 -2.586 -7.622 -7.042 281 HE ARG 43 HE ARG 43 -0.672 -9.289 -7.906 282 HH11 ARG 43 2HH1 ARG 43 -4.069 -9.068 -8.635 283 HH12 ARG 43 1HH1 ARG 43 -3.896 -9.674 -10.249 284 HH21 ARG 43 2HH2 ARG 43 -0.431 -10.088 -10.029 285 HH22 ARG 43 1HH2 ARG 43 -1.826 -10.255 -11.040 286 H CYS 44 H CYS 44 -1.782 -5.270 -2.793 287 HA CYS 44 HA CYS 44 0.348 -4.175 -4.445 288 HB2 CYS 44 1HB CYS 44 -1.920 -2.912 -2.906 289 HB3 CYS 44 2HB CYS 44 -0.678 -1.967 -3.721 290 H CYS 45 H CYS 45 -0.543 -4.470 -1.059 291 HA CYS 45 HA CYS 45 1.828 -2.975 -0.240 292 HB2 CYS 45 1HB CYS 45 -0.379 -2.577 0.872 293 HB3 CYS 45 2HB CYS 45 -0.312 -4.222 1.494 294 HG CYS 45 HG CYS 45 2.497 -2.859 2.331 295 H SER 46 H SER 46 2.182 -5.495 -1.563 296 HA SER 46 HA SER 46 3.183 -7.189 0.624 297 HB2 SER 46 1HB SER 46 2.917 -9.065 -0.744 298 HB3 SER 46 2HB SER 46 1.529 -8.071 -1.184 299 HG SER 46 HG SER 46 3.832 -8.668 -2.640 300 H PHE 47 H PHE 47 4.586 -4.854 -0.203 301 HA PHE 47 HA PHE 47 6.997 -6.083 -1.368 302 HB2 PHE 47 1HB PHE 47 5.920 -3.287 -1.760 303 HB3 PHE 47 2HB PHE 47 7.547 -3.774 -2.224 304 HD1 PHE 47 1HD PHE 47 3.960 -4.297 -2.885 305 HD2 PHE 47 2HD PHE 47 7.944 -5.007 -4.205 306 HE1 PHE 47 1HE PHE 47 3.099 -5.087 -5.050 307 HE2 PHE 47 2HE PHE 47 7.089 -5.797 -6.372 308 HZ PHE 47 HZ PHE 47 4.663 -5.837 -6.798 309 H LYS 48 H LYS 48 8.763 -6.015 -0.141 310 HA LYS 48 HA LYS 48 8.679 -4.448 2.329 311 HB2 LYS 48 1HB LYS 48 10.442 -6.738 1.450 312 HB3 LYS 48 2HB LYS 48 10.654 -5.870 2.965 313 HG2 LYS 48 1HG LYS 48 8.609 -6.655 3.822 314 HG3 LYS 48 2HG LYS 48 8.071 -7.215 2.237 315 HD2 LYS 48 1HD LYS 48 8.735 -9.208 3.129 316 HD3 LYS 48 2HD LYS 48 10.268 -8.687 2.423 317 HE2 LYS 48 1HE LYS 48 9.646 -7.840 5.203 318 HE3 LYS 48 2HE LYS 48 10.085 -9.525 4.932 319 HZ1 LYS 48 1HZ LYS 48 11.701 -7.142 4.210 320 HZ2 LYS 48 2HZ LYS 48 12.111 -8.734 3.813 321 HZ3 LYS 48 3HZ LYS 48 12.041 -8.258 5.435 322 H VAL 49 H VAL 49 10.083 -2.836 2.785 323 HA VAL 49 HA VAL 49 12.430 -2.415 1.119 324 HB VAL 49 HB VAL 49 11.851 -0.056 0.657 325 HG11 VAL 49 1HG1 VAL 49 11.277 -2.144 -0.835 326 HG12 VAL 49 2HG1 VAL 49 9.617 -1.643 -0.509 327 HG13 VAL 49 3HG1 VAL 49 10.739 -0.527 -1.290 328 HG21 VAL 49 1HG2 VAL 49 9.006 -0.253 0.939 329 HG22 VAL 49 2HG2 VAL 49 9.782 -0.545 2.496 330 HG23 VAL 49 3HG2 VAL 49 10.112 0.945 1.612 331 HA PRO 50 HA PRO 50 14.161 -0.942 4.877 332 HB2 PRO 50 1HB PRO 50 16.054 0.759 3.931 333 HB3 PRO 50 2HB PRO 50 16.197 -0.999 3.813 334 HG2 PRO 50 1HG PRO 50 15.316 0.972 1.740 335 HG3 PRO 50 2HG PRO 50 16.393 -0.426 1.568 336 HD2 PRO 50 1HD PRO 50 13.792 -0.491 0.820 337 HD3 PRO 50 2HD PRO 50 14.642 -1.919 1.444 338 H LYS 51 H LYS 51 13.407 0.482 6.303 339 HA LYS 51 HA LYS 51 12.056 2.874 5.421 340 HB2 LYS 51 1HB LYS 51 11.433 3.152 7.753 341 HB3 LYS 51 2HB LYS 51 11.153 1.489 7.253 342 HG2 LYS 51 1HG LYS 51 13.378 0.922 8.283 343 HG3 LYS 51 2HG LYS 51 13.383 2.549 8.967 344 HD2 LYS 51 1HD LYS 51 11.245 0.466 9.419 345 HD3 LYS 51 2HD LYS 51 12.533 0.874 10.556 346 HE2 LYS 51 1HE LYS 51 11.573 3.308 10.234 347 HE3 LYS 51 2HE LYS 51 10.116 2.429 9.772 348 HZ1 LYS 51 1HZ LYS 51 10.649 1.142 11.975 349 HZ2 LYS 51 2HZ LYS 51 9.801 2.604 12.005 350 HZ3 LYS 51 3HZ LYS 51 11.452 2.577 12.374 351 H SER 52 H SER 52 15.101 2.031 6.905 352 HA SER 52 HA SER 52 15.870 4.487 7.957 353 HB2 SER 52 1HB SER 52 18.207 3.683 7.621 354 HB3 SER 52 2HB SER 52 17.165 2.481 8.380 355 HG SER 52 HG SER 52 17.437 1.223 6.719 356 H SER 53 H SER 53 15.966 3.302 4.650 357 HA SER 53 HA SER 53 17.274 5.744 3.733 358 HB2 SER 53 1HB SER 53 17.264 4.618 1.510 359 HB3 SER 53 2HB SER 53 18.074 3.670 2.757 360 HG SER 53 HG SER 53 16.308 2.732 1.233 361 H MET 54 H MET 54 14.752 6.155 4.845 362 HA MET 54 HA MET 54 13.482 7.624 2.798 363 HB2 MET 54 1HB MET 54 11.345 6.396 2.693 364 HB3 MET 54 2HB MET 54 12.682 5.460 2.040 365 HG2 MET 54 1HG MET 54 11.382 3.972 3.318 366 HG3 MET 54 2HG MET 54 12.829 4.310 4.264 367 HE1 MET 54 1HE MET 54 8.506 5.387 5.218 368 HE2 MET 54 2HE MET 54 9.180 5.171 3.602 369 HE3 MET 54 3HE MET 54 9.079 3.799 4.706 370 H GLY 55 H GLY 55 11.220 8.398 3.604 371 HA2 GLY 55 1HA GLY 55 10.148 9.674 5.187 372 HA3 GLY 55 2HA GLY 55 10.398 8.285 6.233 373 H ALA 56 H ALA 56 10.548 9.850 7.966 374 HA ALA 56 HA ALA 56 12.695 11.740 8.027 375 HB1 ALA 56 1HB ALA 56 10.412 11.117 9.629 376 HB2 ALA 56 2HB ALA 56 11.842 11.209 10.659 377 HB3 ALA 56 3HB ALA 56 11.408 12.574 9.630 378 H THR 57 H THR 57 14.761 11.253 8.300 379 HA THR 57 HA THR 57 15.666 8.685 9.096 380 HB THR 57 HB THR 57 17.936 9.745 9.130 381 HG1 THR 57 1HG THR 57 16.967 11.893 9.695 382 HG21 THR 57 1HG2 THR 57 16.360 9.085 6.996 383 HG22 THR 57 2HG2 THR 57 18.072 9.497 6.898 384 HG23 THR 57 3HG2 THR 57 16.849 10.730 6.592 385 H ALA 58 H ALA 58 15.250 8.021 11.125 386 HA ALA 58 HA ALA 58 15.937 9.833 13.343 387 HB1 ALA 58 1HB ALA 58 14.415 8.556 14.727 388 HB2 ALA 58 2HB ALA 58 13.583 9.111 13.273 389 HB3 ALA 58 3HB ALA 58 14.111 7.433 13.401 390 HA PRO 59 HA PRO 59 19.266 7.215 14.518 391 HB2 PRO 59 1HB PRO 59 19.329 7.694 17.190 392 HB3 PRO 59 2HB PRO 59 19.869 8.873 15.990 393 HG2 PRO 59 1HG PRO 59 17.258 8.713 17.445 394 HG3 PRO 59 2HG PRO 59 18.262 10.133 17.101 395 HD2 PRO 59 1HD PRO 59 16.066 9.514 15.643 396 HD3 PRO 59 2HD PRO 59 17.484 10.316 14.939 397 H GLU 60 H GLU 60 16.099 6.556 15.259 398 HA GLU 60 HA GLU 60 16.681 4.264 16.975 399 HB2 GLU 60 1HB GLU 60 14.056 5.425 16.028 400 HB3 GLU 60 2HB GLU 60 14.207 4.035 17.094 401 HG2 GLU 60 1HG GLU 60 15.497 6.617 17.841 402 HG3 GLU 60 2HG GLU 60 13.764 6.399 18.075 403 H ALA 61 H ALA 61 15.067 4.962 13.881 404 HA ALA 61 HA ALA 61 14.907 2.161 13.205 405 HB1 ALA 61 1HB ALA 61 14.311 4.590 11.519 406 HB2 ALA 61 2HB ALA 61 13.886 2.922 11.132 407 HB3 ALA 61 3HB ALA 61 13.147 3.722 12.519 408 H GLN 62 H GLN 62 16.651 1.087 12.559 409 HA GLN 62 HA GLN 62 18.339 2.245 10.482 410 HB2 GLN 62 1HB GLN 62 19.270 1.435 13.211 411 HB3 GLN 62 2HB GLN 62 20.344 1.238 11.833 412 HG2 GLN 62 1HG GLN 62 20.617 3.477 11.542 413 HG3 GLN 62 2HG GLN 62 19.028 3.869 12.196 414 HE21 GLN 62 1HE2 GLN 62 19.274 5.103 13.910 415 HE22 GLN 62 2HE2 GLN 62 20.415 4.863 15.184 416 H ARG 63 H ARG 63 18.530 0.814 8.902 417 HA ARG 63 HA ARG 63 18.548 -1.143 7.743 418 HB2 ARG 63 1HB ARG 63 19.846 -1.975 10.327 419 HB3 ARG 63 2HB ARG 63 19.605 -3.118 9.013 420 HG2 ARG 63 1HG ARG 63 20.817 -1.316 7.582 421 HG3 ARG 63 2HG ARG 63 21.393 -0.735 9.146 422 HD2 ARG 63 1HD ARG 63 23.059 -2.213 8.490 423 HD3 ARG 63 2HD ARG 63 22.057 -3.192 9.560 424 HE ARG 63 HE ARG 63 20.992 -3.734 7.164 425 HH11 ARG 63 2HH1 ARG 63 24.293 -3.671 8.271 426 HH12 ARG 63 1HH1 ARG 63 24.824 -4.893 7.164 427 HH21 ARG 63 2HH2 ARG 63 21.680 -5.344 5.702 428 HH22 ARG 63 1HH2 ARG 63 23.338 -5.843 5.703 429 H GLU 64 H GLU 64 16.084 -0.554 8.622 430 HA GLU 64 HA GLU 64 15.018 -3.068 9.720 431 HB2 GLU 64 1HB GLU 64 14.590 -0.623 10.716 432 HB3 GLU 64 2HB GLU 64 13.303 -0.647 9.519 433 HG2 GLU 64 1HG GLU 64 12.710 -1.399 11.860 434 HG3 GLU 64 2HG GLU 64 12.232 -2.460 10.536 435 H THR 65 H THR 65 12.853 -3.705 8.876 436 HA THR 65 HA THR 65 12.617 -3.089 6.002 437 HB THR 65 HB THR 65 11.751 -5.414 5.702 438 HG1 THR 65 1HG THR 65 12.931 -6.090 8.169 439 HG21 THR 65 1HG2 THR 65 13.830 -5.804 5.007 440 HG22 THR 65 2HG2 THR 65 14.295 -6.212 6.659 441 HG23 THR 65 3HG2 THR 65 14.444 -4.551 6.085 442 H VAL 66 H VAL 66 10.718 -2.290 5.391 443 HA VAL 66 HA VAL 66 8.370 -2.780 7.105 444 HB VAL 66 HB VAL 66 7.539 -0.534 6.426 445 HG11 VAL 66 1HG1 VAL 66 9.275 0.742 7.827 446 HG12 VAL 66 2HG1 VAL 66 8.427 -0.608 8.583 447 HG13 VAL 66 3HG1 VAL 66 10.078 -0.819 7.997 448 HG21 VAL 66 1HG2 VAL 66 9.535 -0.650 4.537 449 HG22 VAL 66 2HG2 VAL 66 8.604 0.784 4.967 450 HG23 VAL 66 3HG2 VAL 66 10.172 0.494 5.719 451 H PHE 67 H PHE 67 6.285 -2.576 5.983 452 HA PHE 67 HA PHE 67 6.496 -3.604 3.238 453 HB2 PHE 67 1HB PHE 67 4.333 -3.896 5.327 454 HB3 PHE 67 2HB PHE 67 4.137 -4.413 3.655 455 HD1 PHE 67 2HD PHE 67 5.721 -6.162 2.748 456 HD2 PHE 67 1HD PHE 67 5.386 -5.266 6.895 457 HE1 PHE 67 2HE PHE 67 6.757 -8.326 3.296 458 HE2 PHE 67 1HE PHE 67 6.422 -7.427 7.450 459 HZ PHE 67 HZ PHE 67 7.108 -8.961 5.649 460 H VAL 68 H VAL 68 6.176 -2.117 1.727 461 HA VAL 68 HA VAL 68 4.217 0.022 2.239 462 HB VAL 68 HB VAL 68 5.383 1.337 0.529 463 HG11 VAL 68 1HG1 VAL 68 7.741 0.802 2.061 464 HG12 VAL 68 2HG1 VAL 68 6.624 2.163 2.175 465 HG13 VAL 68 3HG1 VAL 68 6.321 0.692 3.101 466 HG21 VAL 68 1HG2 VAL 68 6.240 -0.393 -0.892 467 HG22 VAL 68 2HG2 VAL 68 7.603 0.545 -0.282 468 HG23 VAL 68 3HG2 VAL 68 7.240 -1.035 0.412 469 H CYS 69 H CYS 69 3.521 0.948 -0.092 470 HA CYS 69 HA CYS 69 2.210 -1.317 -1.400 471 HB2 CYS 69 1HB CYS 69 0.639 0.289 -2.284 472 HB3 CYS 69 2HB CYS 69 0.832 0.583 -0.558 473 H ALA 70 H ALA 70 2.341 -1.712 -3.588 474 HA ALA 70 HA ALA 70 4.610 -1.579 -4.967 475 HB1 ALA 70 1HB ALA 70 2.022 -2.204 -5.631 476 HB2 ALA 70 2HB ALA 70 2.412 -0.905 -6.759 477 HB3 ALA 70 3HB ALA 70 3.422 -2.350 -6.694 478 H SER 71 H SER 71 2.148 0.992 -5.195 479 HA SER 71 HA SER 71 3.355 2.730 -6.904 480 HB2 SER 71 1HB SER 71 1.735 3.264 -4.419 481 HB3 SER 71 2HB SER 71 2.292 4.575 -5.460 482 HG SER 71 HG SER 71 1.239 2.817 -7.069 483 H CYS 72 H CYS 72 3.955 2.512 -3.408 484 HA CYS 72 HA CYS 72 6.018 4.506 -3.473 485 HB2 CYS 72 1HB CYS 72 5.200 2.536 -1.329 486 HB3 CYS 72 2HB CYS 72 6.404 3.802 -1.107 487 H ASN 73 H ASN 73 6.049 1.007 -2.773 488 HA ASN 73 HA ASN 73 8.665 0.470 -2.508 489 HB2 ASN 73 1HB ASN 73 7.006 -1.298 -2.475 490 HB3 ASN 73 2HB ASN 73 6.702 -1.092 -4.197 491 HD21 ASN 73 1HD2 ASN 73 8.080 -1.982 -5.669 492 HD22 ASN 73 2HD2 ASN 73 9.372 -3.046 -5.239 493 H GLN 74 H GLN 74 7.048 1.151 -5.573 494 HA GLN 74 HA GLN 74 9.271 0.636 -7.239 495 HB2 GLN 74 1HB GLN 74 6.657 2.024 -7.536 496 HB3 GLN 74 2HB GLN 74 7.901 2.379 -8.728 497 HG2 GLN 74 1HG GLN 74 8.074 -0.254 -8.807 498 HG3 GLN 74 2HG GLN 74 6.415 -0.137 -8.222 499 HE21 GLN 74 1HE2 GLN 74 5.149 1.646 -9.478 500 HE22 GLN 74 2HE2 GLN 74 5.267 1.533 -11.198 501 H THR 75 H THR 75 8.035 3.610 -5.758 502 HA THR 75 HA THR 75 9.984 5.321 -6.913 503 HB THR 75 HB THR 75 8.326 5.723 -4.416 504 HG1 THR 75 1HG THR 75 7.148 7.097 -6.017 505 HG21 THR 75 1HG2 THR 75 8.843 8.043 -4.569 506 HG22 THR 75 2HG2 THR 75 9.659 7.825 -6.117 507 HG23 THR 75 3HG2 THR 75 10.376 7.175 -4.643 508 H LEU 76 H LEU 76 9.697 3.844 -3.688 509 HA LEU 76 HA LEU 76 12.087 4.899 -2.646 510 HB2 LEU 76 1HB LEU 76 10.690 2.329 -1.917 511 HB3 LEU 76 2HB LEU 76 11.901 3.161 -0.942 512 HG LEU 76 HG LEU 76 9.204 4.314 -1.646 513 HD11 LEU 76 1HD1 LEU 76 9.108 2.254 -0.220 514 HD12 LEU 76 2HD1 LEU 76 8.461 3.713 0.530 515 HD13 LEU 76 3HD1 LEU 76 10.060 3.125 0.983 516 HD21 LEU 76 1HD2 LEU 76 11.588 5.288 -0.217 517 HD22 LEU 76 2HD2 LEU 76 10.042 5.586 0.579 518 HD23 LEU 76 3HD2 LEU 76 10.322 6.181 -1.059 519 H SER 77 H SER 77 11.408 1.672 -4.001 520 HA SER 77 HA SER 77 14.221 1.009 -4.028 521 HB2 SER 77 1HB SER 77 12.371 -0.656 -3.562 522 HB3 SER 77 2HB SER 77 11.955 -0.558 -5.273 523 HG SER 77 HG SER 77 13.361 -2.180 -5.265 524 H LYS 78 H LYS 78 13.946 3.243 -5.506 525 HA LYS 78 HA LYS 78 13.836 2.428 -8.316 526 HB2 LYS 78 1HB LYS 78 12.561 4.423 -7.689 527 HB3 LYS 78 2HB LYS 78 14.023 5.177 -7.067 528 HG2 LYS 78 1HG LYS 78 13.953 6.161 -9.106 529 HG3 LYS 78 2HG LYS 78 14.865 4.713 -9.536 530 HD2 LYS 78 1HD LYS 78 11.906 4.549 -9.658 531 HD3 LYS 78 2HD LYS 78 12.717 5.511 -10.897 532 HE2 LYS 78 1HE LYS 78 14.210 3.513 -11.290 533 HE3 LYS 78 2HE LYS 78 13.114 2.596 -10.257 534 HZ1 LYS 78 1HZ LYS 78 12.441 3.937 -12.818 535 HZ2 LYS 78 2HZ LYS 78 11.299 3.228 -11.791 536 HZ3 LYS 78 3HZ LYS 78 12.488 2.272 -12.523 537 H SER 79 H SER 79 15.804 1.282 -8.398 538 HA SER 79 HA SER 79 18.245 2.843 -7.946 539 HB2 SER 79 1HB SER 79 18.070 0.595 -6.886 540 HB3 SER 79 2HB SER 79 17.966 -0.122 -8.494 541 HG SER 79 HG SER 79 20.093 1.579 -8.174 542 H GLY 80 H GLY 80 19.249 3.743 -9.612 543 HA2 GLY 80 1HA GLY 80 19.360 2.391 -12.179 544 HA3 GLY 80 2HA GLY 80 18.485 3.915 -12.178 545 HA PRO 81 HA PRO 81 23.292 4.359 -12.272 546 HB2 PRO 81 1HB PRO 81 23.827 4.102 -14.921 547 HB3 PRO 81 2HB PRO 81 23.895 2.745 -13.791 548 HG2 PRO 81 1HG PRO 81 21.713 3.526 -15.685 549 HG3 PRO 81 2HG PRO 81 22.364 1.914 -15.331 550 HD2 PRO 81 1HD PRO 81 20.051 2.821 -14.253 551 HD3 PRO 81 2HD PRO 81 21.132 1.705 -13.394 552 H SER 82 H SER 82 24.020 6.399 -12.478 553 HA SER 82 HA SER 82 22.400 8.265 -14.074 554 HB2 SER 82 1HB SER 82 23.969 8.581 -11.535 555 HB3 SER 82 2HB SER 82 23.639 9.986 -12.548 556 HG SER 82 HG SER 82 21.947 8.532 -10.942 557 H SER 83 H SER 83 25.731 7.422 -13.216 558 HA SER 83 HA SER 83 26.655 8.152 -15.836 559 HB2 SER 83 1HB SER 83 28.200 9.891 -15.184 560 HB3 SER 83 2HB SER 83 26.587 10.354 -14.642 561 HG SER 83 HG SER 83 27.394 9.162 -12.606 562 H GLY 84 H GLY 84 28.946 7.636 -16.149 563 HA2 GLY 84 1HA GLY 84 29.633 5.219 -14.762 564 HA3 GLY 84 2HA GLY 84 30.557 5.983 -16.048 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -11.255 40.603 -19.219 2 HA2 GLY 1 1HA GLY 1 -10.639 41.789 -16.581 3 HA3 GLY 1 2HA GLY 1 -12.261 41.754 -17.258 4 H SER 2 H SER 2 -11.722 40.737 -14.744 5 HA SER 2 HA SER 2 -12.458 37.946 -15.148 6 HB2 SER 2 1HB SER 2 -10.055 37.797 -14.829 7 HB3 SER 2 2HB SER 2 -10.151 38.808 -13.387 8 HG SER 2 HG SER 2 -10.491 36.152 -13.617 9 H SER 3 H SER 3 -14.192 37.513 -13.969 10 HA SER 3 HA SER 3 -15.119 39.369 -11.981 11 HB2 SER 3 1HB SER 3 -16.728 38.302 -13.463 12 HB3 SER 3 2HB SER 3 -16.235 36.707 -12.896 13 HG SER 3 HG SER 3 -17.675 38.709 -11.537 14 H GLY 4 H GLY 4 -13.966 36.012 -11.975 15 HA2 GLY 4 1HA GLY 4 -12.496 35.379 -10.106 16 HA3 GLY 4 2HA GLY 4 -13.590 36.266 -9.054 17 H SER 5 H SER 5 -12.713 33.252 -10.045 18 HA SER 5 HA SER 5 -15.246 32.124 -9.085 19 HB2 SER 5 1HB SER 5 -13.721 31.141 -11.510 20 HB3 SER 5 2HB SER 5 -15.123 30.344 -10.796 21 HG SER 5 HG SER 5 -16.117 32.566 -11.156 22 H SER 6 H SER 6 -14.902 29.640 -8.744 23 HA SER 6 HA SER 6 -12.320 28.674 -8.138 24 HB2 SER 6 1HB SER 6 -12.566 28.640 -5.634 25 HB3 SER 6 2HB SER 6 -12.303 30.245 -6.316 26 HG SER 6 HG SER 6 -14.946 29.528 -6.123 27 H GLY 7 H GLY 7 -12.417 26.602 -6.881 28 HA2 GLY 7 1HA GLY 7 -14.191 25.014 -5.939 29 HA3 GLY 7 2HA GLY 7 -14.951 25.233 -7.509 30 H ARG 8 H ARG 8 -12.169 23.909 -5.826 31 HA ARG 8 HA ARG 8 -11.955 21.815 -7.802 32 HB2 ARG 8 1HB ARG 8 -9.501 22.220 -8.153 33 HB3 ARG 8 2HB ARG 8 -10.558 23.411 -8.899 34 HG2 ARG 8 1HG ARG 8 -9.525 23.979 -6.175 35 HG3 ARG 8 2HG ARG 8 -8.410 24.108 -7.538 36 HD2 ARG 8 1HD ARG 8 -11.098 25.418 -7.650 37 HD3 ARG 8 2HD ARG 8 -9.768 26.191 -6.788 38 HE ARG 8 HE ARG 8 -10.048 25.882 -9.646 39 HH11 ARG 8 2HH1 ARG 8 -7.888 26.521 -6.992 40 HH12 ARG 8 1HH1 ARG 8 -6.712 27.330 -7.974 41 HH21 ARG 8 2HH2 ARG 8 -8.508 26.945 -10.949 42 HH22 ARG 8 1HH2 ARG 8 -7.066 27.572 -10.225 43 H TYR 9 H TYR 9 -11.660 19.995 -6.712 44 HA TYR 9 HA TYR 9 -9.738 19.802 -4.578 45 HB2 TYR 9 1HB TYR 9 -12.669 19.359 -3.970 46 HB3 TYR 9 2HB TYR 9 -11.332 19.016 -2.876 47 HD1 TYR 9 2HD TYR 9 -13.118 21.745 -4.635 48 HD2 TYR 9 1HD TYR 9 -10.402 20.716 -1.526 49 HE1 TYR 9 2HE TYR 9 -13.245 24.044 -3.771 50 HE2 TYR 9 1HE TYR 9 -10.523 23.012 -0.652 51 HH TYR 9 HH TYR 9 -11.095 25.224 -1.362 52 HA PRO 10 HA PRO 10 -9.488 15.696 -6.123 53 HB2 PRO 10 1HB PRO 10 -8.406 14.446 -3.969 54 HB3 PRO 10 2HB PRO 10 -7.487 15.546 -5.004 55 HG2 PRO 10 1HG PRO 10 -8.780 16.072 -2.355 56 HG3 PRO 10 2HG PRO 10 -7.185 16.580 -2.943 57 HD2 PRO 10 1HD PRO 10 -9.324 18.241 -2.914 58 HD3 PRO 10 2HD PRO 10 -8.052 18.343 -4.148 59 H THR 11 H THR 11 -9.817 13.325 -5.048 60 HA THR 11 HA THR 11 -12.640 13.266 -4.354 61 HB THR 11 HB THR 11 -12.449 10.817 -4.677 62 HG1 THR 11 1HG THR 11 -10.250 10.566 -4.098 63 HG21 THR 11 1HG2 THR 11 -11.137 11.738 -7.122 64 HG22 THR 11 2HG2 THR 11 -12.456 12.783 -6.593 65 HG23 THR 11 3HG2 THR 11 -12.751 11.070 -6.887 66 H ASN 12 H ASN 12 -12.859 13.778 -2.219 67 HA ASN 12 HA ASN 12 -11.160 12.548 -0.222 68 HB2 ASN 12 1HB ASN 12 -12.941 13.800 1.292 69 HB3 ASN 12 2HB ASN 12 -11.655 14.683 0.475 70 HD21 ASN 12 1HD2 ASN 12 -14.860 13.411 -0.379 71 HD22 ASN 12 2HD2 ASN 12 -15.427 14.868 -1.114 72 H ASN 13 H ASN 13 -11.742 10.337 -0.648 73 HA ASN 13 HA ASN 13 -13.722 9.353 1.105 74 HB2 ASN 13 1HB ASN 13 -15.078 8.199 -0.768 75 HB3 ASN 13 2HB ASN 13 -15.411 9.894 -0.427 76 HD21 ASN 13 1HD2 ASN 13 -13.254 7.924 -2.442 77 HD22 ASN 13 2HD2 ASN 13 -13.398 8.908 -3.854 78 H PHE 14 H PHE 14 -13.127 7.372 1.721 79 HA PHE 14 HA PHE 14 -11.287 5.883 -0.034 80 HB2 PHE 14 1HB PHE 14 -10.587 4.795 2.207 81 HB3 PHE 14 2HB PHE 14 -10.024 6.426 1.858 82 HD1 PHE 14 1HD PHE 14 -13.084 4.881 3.343 83 HD2 PHE 14 2HD PHE 14 -10.031 7.829 3.661 84 HE1 PHE 14 1HE PHE 14 -14.068 5.666 5.457 85 HE2 PHE 14 2HE PHE 14 -11.009 8.619 5.776 86 HZ PHE 14 HZ PHE 14 -13.029 7.537 6.677 87 H GLY 15 H GLY 15 -11.249 3.440 0.777 88 HA2 GLY 15 1HA GLY 15 -13.233 2.017 1.861 89 HA3 GLY 15 2HA GLY 15 -13.964 2.495 0.337 90 H ASN 16 H ASN 16 -11.615 2.363 -1.260 91 HA ASN 16 HA ASN 16 -11.112 -0.541 -1.225 92 HB2 ASN 16 1HB ASN 16 -10.981 1.062 -3.754 93 HB3 ASN 16 2HB ASN 16 -11.314 -0.654 -3.538 94 HD21 ASN 16 1HD2 ASN 16 -13.328 -0.764 -1.815 95 HD22 ASN 16 2HD2 ASN 16 -14.721 0.061 -2.420 96 H CYS 17 H CYS 17 -9.112 -1.050 -2.678 97 HA CYS 17 HA CYS 17 -6.854 0.039 -1.411 98 HB2 CYS 17 1HB CYS 17 -6.778 -2.188 -2.341 99 HB3 CYS 17 2HB CYS 17 -7.099 -1.570 -3.958 100 H THR 18 H THR 18 -5.136 1.304 -2.274 101 HA THR 18 HA THR 18 -6.082 3.328 -4.171 102 HB THR 18 HB THR 18 -3.553 3.529 -2.553 103 HG1 THR 18 1HG THR 18 -4.860 4.596 -0.964 104 HG21 THR 18 1HG2 THR 18 -3.644 5.251 -4.131 105 HG22 THR 18 2HG2 THR 18 -4.304 5.993 -2.674 106 HG23 THR 18 3HG2 THR 18 -5.387 5.447 -3.954 107 H GLY 19 H GLY 19 -5.094 0.656 -4.975 108 HA2 GLY 19 1HA GLY 19 -3.008 1.607 -6.818 109 HA3 GLY 19 2HA GLY 19 -2.741 0.125 -5.912 110 H CYS 20 H CYS 20 -4.999 -1.250 -6.045 111 HA CYS 20 HA CYS 20 -5.383 -1.650 -8.933 112 HB2 CYS 20 1HB CYS 20 -5.958 -3.964 -8.391 113 HB3 CYS 20 2HB CYS 20 -4.377 -3.549 -7.737 114 H SER 21 H SER 21 -6.899 -0.371 -6.288 115 HA SER 21 HA SER 21 -9.032 0.280 -5.839 116 HB2 SER 21 1HB SER 21 -9.181 -0.256 -8.791 117 HB3 SER 21 2HB SER 21 -10.634 0.181 -7.893 118 HG SER 21 HG SER 21 -8.410 1.764 -7.433 119 H ALA 22 H ALA 22 -8.313 -2.354 -5.175 120 HA ALA 22 HA ALA 22 -10.693 -3.952 -5.789 121 HB1 ALA 22 1HB ALA 22 -8.433 -4.956 -6.080 122 HB2 ALA 22 2HB ALA 22 -8.199 -4.820 -4.337 123 HB3 ALA 22 3HB ALA 22 -9.480 -5.850 -4.977 124 H THR 23 H THR 23 -12.334 -3.904 -4.416 125 HA THR 23 HA THR 23 -12.248 -2.648 -1.896 126 HB THR 23 HB THR 23 -14.325 -4.629 -2.843 127 HG1 THR 23 1HG THR 23 -13.662 -2.407 -4.012 128 HG21 THR 23 1HG2 THR 23 -14.412 -4.011 -0.444 129 HG22 THR 23 2HG2 THR 23 -15.821 -3.451 -1.346 130 HG23 THR 23 3HG2 THR 23 -14.542 -2.316 -0.913 131 H PHE 24 H PHE 24 -12.268 -3.467 0.188 132 HA PHE 24 HA PHE 24 -11.062 -6.109 0.468 133 HB2 PHE 24 1HB PHE 24 -11.538 -4.227 2.755 134 HB3 PHE 24 2HB PHE 24 -10.257 -5.417 2.545 135 HD1 PHE 24 1HD PHE 24 -8.460 -4.959 0.832 136 HD2 PHE 24 2HD PHE 24 -11.227 -1.998 2.132 137 HE1 PHE 24 1HE PHE 24 -6.957 -3.195 0.003 138 HE2 PHE 24 2HE PHE 24 -9.730 -0.230 1.304 139 HZ PHE 24 HZ PHE 24 -7.592 -0.827 0.237 140 H SER 25 H SER 25 -12.614 -7.643 0.404 141 HA SER 25 HA SER 25 -14.967 -7.304 2.137 142 HB2 SER 25 1HB SER 25 -15.150 -7.818 -0.411 143 HB3 SER 25 2HB SER 25 -14.716 -9.461 0.059 144 HG SER 25 HG SER 25 -17.032 -8.000 0.598 145 H VAL 26 H VAL 26 -13.074 -10.078 0.936 146 HA VAL 26 HA VAL 26 -12.830 -11.026 3.708 147 HB VAL 26 HB VAL 26 -13.658 -12.718 1.347 148 HG11 VAL 26 1HG1 VAL 26 -12.263 -13.419 3.750 149 HG12 VAL 26 2HG1 VAL 26 -13.860 -14.168 3.744 150 HG13 VAL 26 3HG1 VAL 26 -12.748 -14.447 2.403 151 HG21 VAL 26 1HG2 VAL 26 -15.086 -11.688 3.769 152 HG22 VAL 26 2HG2 VAL 26 -15.595 -11.664 2.081 153 HG23 VAL 26 3HG2 VAL 26 -15.606 -13.179 2.983 154 H LEU 27 H LEU 27 -11.821 -11.801 0.373 155 HA LEU 27 HA LEU 27 -9.421 -13.068 1.071 156 HB2 LEU 27 1HB LEU 27 -10.058 -11.565 -1.463 157 HB3 LEU 27 2HB LEU 27 -8.771 -12.751 -1.254 158 HG LEU 27 HG LEU 27 -10.727 -14.369 -0.666 159 HD11 LEU 27 1HD1 LEU 27 -12.601 -13.457 -2.423 160 HD12 LEU 27 2HD1 LEU 27 -12.117 -11.972 -1.603 161 HD13 LEU 27 3HD1 LEU 27 -12.714 -13.342 -0.667 162 HD21 LEU 27 1HD2 LEU 27 -9.353 -13.680 -3.049 163 HD22 LEU 27 2HD2 LEU 27 -11.025 -14.049 -3.474 164 HD23 LEU 27 3HD2 LEU 27 -10.056 -15.233 -2.595 165 H LYS 28 H LYS 28 -9.872 -9.778 -0.239 166 HA LYS 28 HA LYS 28 -7.189 -9.044 0.574 167 HB2 LYS 28 1HB LYS 28 -9.392 -7.538 -0.838 168 HB3 LYS 28 2HB LYS 28 -7.851 -6.806 -0.409 169 HG2 LYS 28 1HG LYS 28 -6.662 -8.299 -1.845 170 HG3 LYS 28 2HG LYS 28 -8.119 -9.249 -2.145 171 HD2 LYS 28 1HD LYS 28 -9.146 -7.339 -3.262 172 HD3 LYS 28 2HD LYS 28 -7.713 -6.363 -2.932 173 HE2 LYS 28 1HE LYS 28 -7.516 -7.098 -5.172 174 HE3 LYS 28 2HE LYS 28 -6.395 -8.080 -4.229 175 HZ1 LYS 28 1HZ LYS 28 -8.902 -8.855 -5.534 176 HZ2 LYS 28 2HZ LYS 28 -8.455 -9.666 -4.118 177 HZ3 LYS 28 3HZ LYS 28 -7.425 -9.678 -5.461 178 H LYS 29 H LYS 29 -6.649 -7.968 2.367 179 HA LYS 29 HA LYS 29 -8.830 -6.958 4.069 180 HB2 LYS 29 1HB LYS 29 -7.275 -7.293 5.966 181 HB3 LYS 29 2HB LYS 29 -7.637 -8.788 5.113 182 HG2 LYS 29 1HG LYS 29 -5.427 -8.115 3.800 183 HG3 LYS 29 2HG LYS 29 -5.095 -7.288 5.324 184 HD2 LYS 29 1HD LYS 29 -6.062 -10.096 5.445 185 HD3 LYS 29 2HD LYS 29 -4.402 -9.816 4.915 186 HE2 LYS 29 1HE LYS 29 -4.061 -8.446 6.976 187 HE3 LYS 29 2HE LYS 29 -5.663 -8.949 7.513 188 HZ1 LYS 29 1HZ LYS 29 -4.271 -11.247 6.791 189 HZ2 LYS 29 2HZ LYS 29 -4.743 -10.766 8.342 190 HZ3 LYS 29 3HZ LYS 29 -3.222 -10.326 7.748 191 H ARG 30 H ARG 30 -8.978 -4.826 4.208 192 HA ARG 30 HA ARG 30 -7.400 -2.952 3.028 193 HB2 ARG 30 1HB ARG 30 -9.650 -2.721 4.327 194 HB3 ARG 30 2HB ARG 30 -8.619 -2.335 5.698 195 HG2 ARG 30 1HG ARG 30 -7.954 -0.338 4.817 196 HG3 ARG 30 2HG ARG 30 -8.175 -0.874 3.150 197 HD2 ARG 30 1HD ARG 30 -9.976 0.504 3.317 198 HD3 ARG 30 2HD ARG 30 -10.711 -0.978 3.925 199 HE ARG 30 HE ARG 30 -10.784 -0.054 6.041 200 HH11 ARG 30 2HH1 ARG 30 -8.964 1.990 3.890 201 HH12 ARG 30 1HH1 ARG 30 -8.928 3.332 4.985 202 HH21 ARG 30 2HH2 ARG 30 -10.743 1.705 7.492 203 HH22 ARG 30 1HH2 ARG 30 -9.939 3.168 7.034 204 H ARG 31 H ARG 31 -5.215 -3.104 3.185 205 HA ARG 31 HA ARG 31 -3.996 -3.151 5.848 206 HB2 ARG 31 1HB ARG 31 -3.103 -3.912 3.116 207 HB3 ARG 31 2HB ARG 31 -1.876 -3.310 4.222 208 HG2 ARG 31 1HG ARG 31 -2.200 -5.072 5.726 209 HG3 ARG 31 2HG ARG 31 -3.747 -5.517 5.003 210 HD2 ARG 31 1HD ARG 31 -2.711 -6.435 3.099 211 HD3 ARG 31 2HD ARG 31 -1.168 -5.667 3.472 212 HE ARG 31 HE ARG 31 -1.987 -7.488 5.511 213 HH11 ARG 31 2HH1 ARG 31 -0.503 -7.272 2.370 214 HH12 ARG 31 1HH1 ARG 31 0.386 -8.748 2.544 215 HH21 ARG 31 2HH2 ARG 31 -0.822 -9.433 5.753 216 HH22 ARG 31 1HH2 ARG 31 0.203 -9.978 4.469 217 H SER 32 H SER 32 -2.124 -1.737 6.241 218 HA SER 32 HA SER 32 -2.481 0.882 4.936 219 HB2 SER 32 1HB SER 32 -1.741 0.219 7.792 220 HB3 SER 32 2HB SER 32 -1.616 1.839 7.106 221 HG SER 32 HG SER 32 -3.934 0.277 7.526 222 H CYS 33 H CYS 33 -0.774 1.755 3.951 223 HA CYS 33 HA CYS 33 1.621 0.314 3.597 224 HB2 CYS 33 1HB CYS 33 0.661 1.979 1.986 225 HB3 CYS 33 2HB CYS 33 1.182 3.259 3.076 226 H SER 34 H SER 34 3.819 1.215 4.038 227 HA SER 34 HA SER 34 3.938 2.103 6.828 228 HB2 SER 34 1HB SER 34 5.176 0.009 5.781 229 HB3 SER 34 2HB SER 34 6.368 1.226 5.323 230 HG SER 34 HG SER 34 5.462 0.565 7.924 231 H ASN 35 H ASN 35 4.919 2.992 3.589 232 HA ASN 35 HA ASN 35 6.499 5.240 4.509 233 HB2 ASN 35 1HB ASN 35 7.259 4.053 2.532 234 HB3 ASN 35 2HB ASN 35 5.717 4.337 1.730 235 HD21 ASN 35 1HD2 ASN 35 6.173 5.637 0.092 236 HD22 ASN 35 2HD2 ASN 35 7.028 7.134 0.205 237 H CYS 36 H CYS 36 3.977 5.180 2.008 238 HA CYS 36 HA CYS 36 3.200 7.860 2.513 239 HB2 CYS 36 1HB CYS 36 1.553 7.545 0.824 240 HB3 CYS 36 2HB CYS 36 2.956 6.603 0.328 241 H GLY 37 H GLY 37 2.110 4.767 3.699 242 HA2 GLY 37 1HA GLY 37 0.730 4.270 5.476 243 HA3 GLY 37 2HA GLY 37 0.645 5.991 5.821 244 H ASN 38 H ASN 38 -0.277 4.404 2.806 245 HA ASN 38 HA ASN 38 -3.000 5.431 3.201 246 HB2 ASN 38 1HB ASN 38 -1.734 4.493 0.621 247 HB3 ASN 38 2HB ASN 38 -3.248 5.374 0.804 248 HD21 ASN 38 1HD2 ASN 38 -1.224 6.238 -0.861 249 HD22 ASN 38 2HD2 ASN 38 -0.562 7.705 -0.233 250 H SER 39 H SER 39 -4.677 4.044 1.926 251 HA SER 39 HA SER 39 -4.596 1.411 3.115 252 HB2 SER 39 1HB SER 39 -6.921 1.252 2.055 253 HB3 SER 39 2HB SER 39 -6.699 2.491 3.291 254 HG SER 39 HG SER 39 -6.091 3.398 0.798 255 H PHE 40 H PHE 40 -4.420 -0.517 2.082 256 HA PHE 40 HA PHE 40 -4.491 -0.674 -0.806 257 HB2 PHE 40 1HB PHE 40 -1.948 -1.219 0.737 258 HB3 PHE 40 2HB PHE 40 -2.213 -1.701 -0.936 259 HD1 PHE 40 1HD PHE 40 -2.735 0.146 -2.623 260 HD2 PHE 40 2HD PHE 40 -1.116 0.887 1.242 261 HE1 PHE 40 1HE PHE 40 -1.937 2.345 -3.384 262 HE2 PHE 40 2HE PHE 40 -0.316 3.088 0.489 263 HZ PHE 40 HZ PHE 40 -0.727 3.821 -1.827 264 H CYS 41 H CYS 41 -4.228 -2.929 -1.574 265 HA CYS 41 HA CYS 41 -5.671 -4.714 0.164 266 HB2 CYS 41 1HB CYS 41 -5.634 -6.251 -1.771 267 HB3 CYS 41 2HB CYS 41 -6.218 -4.648 -2.208 268 H SER 42 H SER 42 -4.806 -7.179 -0.214 269 HA SER 42 HA SER 42 -2.322 -7.235 1.278 270 HB2 SER 42 1HB SER 42 -2.788 -9.638 1.538 271 HB3 SER 42 2HB SER 42 -4.192 -8.667 1.981 272 HG SER 42 HG SER 42 -4.858 -10.359 0.670 273 H ARG 43 H ARG 43 -2.846 -6.857 -1.840 274 HA ARG 43 HA ARG 43 -0.669 -8.665 -2.663 275 HB2 ARG 43 1HB ARG 43 -3.140 -7.751 -4.082 276 HB3 ARG 43 2HB ARG 43 -1.706 -8.144 -5.021 277 HG2 ARG 43 1HG ARG 43 -1.692 -10.376 -3.859 278 HG3 ARG 43 2HG ARG 43 -3.280 -9.956 -3.215 279 HD2 ARG 43 1HD ARG 43 -3.580 -11.284 -5.191 280 HD3 ARG 43 2HD ARG 43 -4.076 -9.629 -5.544 281 HE ARG 43 HE ARG 43 -1.547 -9.609 -6.388 282 HH11 ARG 43 2HH1 ARG 43 -4.110 -11.907 -6.904 283 HH12 ARG 43 1HH1 ARG 43 -3.530 -12.404 -8.459 284 HH21 ARG 43 2HH2 ARG 43 -0.772 -10.254 -8.434 285 HH22 ARG 43 1HH2 ARG 43 -1.630 -11.463 -9.328 286 H CYS 44 H CYS 44 -1.768 -5.422 -2.410 287 HA CYS 44 HA CYS 44 0.306 -4.410 -4.201 288 HB2 CYS 44 1HB CYS 44 -2.008 -3.123 -2.764 289 HB3 CYS 44 2HB CYS 44 -0.743 -2.162 -3.524 290 H CYS 45 H CYS 45 -0.592 -4.428 -0.793 291 HA CYS 45 HA CYS 45 1.767 -2.878 -0.081 292 HB2 CYS 45 1HB CYS 45 -0.418 -2.465 1.043 293 HB3 CYS 45 2HB CYS 45 -0.340 -4.087 1.720 294 HG CYS 45 HG CYS 45 2.374 -3.169 2.781 295 H SER 46 H SER 46 2.408 -5.286 -1.285 296 HA SER 46 HA SER 46 3.439 -6.870 0.977 297 HB2 SER 46 1HB SER 46 1.745 -7.885 -0.787 298 HB3 SER 46 2HB SER 46 3.209 -8.061 -1.755 299 HG SER 46 HG SER 46 2.749 -9.903 -0.434 300 H PHE 47 H PHE 47 4.813 -4.630 0.150 301 HA PHE 47 HA PHE 47 7.104 -5.776 -1.306 302 HB2 PHE 47 1HB PHE 47 6.054 -2.947 -1.249 303 HB3 PHE 47 2HB PHE 47 7.657 -3.355 -1.850 304 HD1 PHE 47 1HD PHE 47 4.060 -3.607 -2.460 305 HD2 PHE 47 2HD PHE 47 7.946 -4.510 -3.943 306 HE1 PHE 47 1HE PHE 47 3.097 -4.102 -4.669 307 HE2 PHE 47 2HE PHE 47 6.990 -5.006 -6.155 308 HZ PHE 47 HZ PHE 47 4.563 -4.802 -6.521 309 H LYS 48 H LYS 48 8.800 -6.147 -0.058 310 HA LYS 48 HA LYS 48 9.018 -4.896 2.546 311 HB2 LYS 48 1HB LYS 48 10.579 -7.053 1.137 312 HB3 LYS 48 2HB LYS 48 11.095 -6.386 2.680 313 HG2 LYS 48 1HG LYS 48 8.922 -7.057 3.650 314 HG3 LYS 48 2HG LYS 48 8.509 -7.819 2.112 315 HD2 LYS 48 1HD LYS 48 9.347 -9.615 3.280 316 HD3 LYS 48 2HD LYS 48 10.801 -9.045 2.456 317 HE2 LYS 48 1HE LYS 48 11.318 -7.706 4.518 318 HE3 LYS 48 2HE LYS 48 9.985 -8.542 5.313 319 HZ1 LYS 48 1HZ LYS 48 12.530 -9.400 5.288 320 HZ2 LYS 48 2HZ LYS 48 11.877 -10.285 4.003 321 HZ3 LYS 48 3HZ LYS 48 11.188 -10.397 5.544 322 H VAL 49 H VAL 49 10.125 -3.101 2.922 323 HA VAL 49 HA VAL 49 12.536 -2.527 1.377 324 HB VAL 49 HB VAL 49 11.886 -0.217 0.941 325 HG11 VAL 49 1HG1 VAL 49 9.987 -2.312 -0.096 326 HG12 VAL 49 2HG1 VAL 49 10.070 -0.669 -0.735 327 HG13 VAL 49 3HG1 VAL 49 11.474 -1.731 -0.846 328 HG21 VAL 49 1HG2 VAL 49 9.720 0.648 1.397 329 HG22 VAL 49 2HG2 VAL 49 9.120 -0.934 1.895 330 HG23 VAL 49 3HG2 VAL 49 10.301 -0.084 2.892 331 HA PRO 50 HA PRO 50 14.081 -1.236 5.285 332 HB2 PRO 50 1HB PRO 50 16.043 0.458 4.478 333 HB3 PRO 50 2HB PRO 50 16.167 -1.299 4.324 334 HG2 PRO 50 1HG PRO 50 15.420 0.735 2.259 335 HG3 PRO 50 2HG PRO 50 16.485 -0.674 2.107 336 HD2 PRO 50 1HD PRO 50 13.924 -0.682 1.227 337 HD3 PRO 50 2HD PRO 50 14.721 -2.137 1.858 338 H LYS 51 H LYS 51 13.479 0.238 6.751 339 HA LYS 51 HA LYS 51 12.196 2.686 5.827 340 HB2 LYS 51 1HB LYS 51 11.489 2.900 8.212 341 HB3 LYS 51 2HB LYS 51 10.951 1.414 7.441 342 HG2 LYS 51 1HG LYS 51 12.284 0.095 8.730 343 HG3 LYS 51 2HG LYS 51 13.512 1.345 8.936 344 HD2 LYS 51 1HD LYS 51 12.468 1.060 11.048 345 HD3 LYS 51 2HD LYS 51 11.854 2.575 10.382 346 HE2 LYS 51 1HE LYS 51 10.337 0.078 9.830 347 HE3 LYS 51 2HE LYS 51 10.248 0.761 11.453 348 HZ1 LYS 51 1HZ LYS 51 9.775 2.942 10.123 349 HZ2 LYS 51 2HZ LYS 51 8.531 1.839 10.436 350 HZ3 LYS 51 3HZ LYS 51 9.276 1.865 8.917 351 H SER 52 H SER 52 15.101 2.401 5.686 352 HA SER 52 HA SER 52 15.917 4.483 7.603 353 HB2 SER 52 1HB SER 52 17.186 2.399 7.845 354 HB3 SER 52 2HB SER 52 17.631 2.460 6.139 355 HG SER 52 HG SER 52 19.101 3.910 6.574 356 H SER 53 H SER 53 16.169 3.422 4.237 357 HA SER 53 HA SER 53 17.613 5.677 3.316 358 HB2 SER 53 1HB SER 53 17.677 3.751 1.937 359 HB3 SER 53 2HB SER 53 15.919 3.608 1.920 360 HG SER 53 HG SER 53 15.875 4.906 0.278 361 H MET 54 H MET 54 14.169 4.935 3.531 362 HA MET 54 HA MET 54 12.915 6.783 2.067 363 HB2 MET 54 1HB MET 54 12.380 6.074 4.949 364 HB3 MET 54 2HB MET 54 11.292 7.080 4.002 365 HG2 MET 54 1HG MET 54 10.961 5.268 2.420 366 HG3 MET 54 2HG MET 54 12.090 4.260 3.323 367 HE1 MET 54 1HE MET 54 9.053 2.551 3.404 368 HE2 MET 54 2HE MET 54 10.815 2.485 3.415 369 HE3 MET 54 3HE MET 54 9.910 2.132 4.888 370 H GLY 55 H GLY 55 14.391 7.502 5.229 371 HA2 GLY 55 1HA GLY 55 15.238 10.087 4.424 372 HA3 GLY 55 2HA GLY 55 13.761 10.206 5.370 373 H ALA 56 H ALA 56 16.569 11.071 5.910 374 HA ALA 56 HA ALA 56 17.897 9.538 7.768 375 HB1 ALA 56 1HB ALA 56 18.969 11.496 7.079 376 HB2 ALA 56 2HB ALA 56 17.591 12.511 7.507 377 HB3 ALA 56 3HB ALA 56 18.584 11.791 8.774 378 H THR 57 H THR 57 17.709 9.095 9.912 379 HA THR 57 HA THR 57 15.964 10.472 11.680 380 HB THR 57 HB THR 57 14.277 9.210 10.347 381 HG1 THR 57 1HG THR 57 14.027 7.936 12.755 382 HG21 THR 57 1HG2 THR 57 15.238 6.700 11.666 383 HG22 THR 57 2HG2 THR 57 15.929 7.206 10.124 384 HG23 THR 57 3HG2 THR 57 14.199 6.895 10.255 385 H ALA 58 H ALA 58 15.767 9.288 13.809 386 HA ALA 58 HA ALA 58 18.106 8.777 15.005 387 HB1 ALA 58 1HB ALA 58 16.280 8.824 16.431 388 HB2 ALA 58 2HB ALA 58 15.407 7.591 15.519 389 HB3 ALA 58 3HB ALA 58 16.792 7.138 16.513 390 HA PRO 59 HA PRO 59 19.901 5.126 13.326 391 HB2 PRO 59 1HB PRO 59 21.512 4.438 15.400 392 HB3 PRO 59 2HB PRO 59 21.853 5.803 14.331 393 HG2 PRO 59 1HG PRO 59 20.608 5.795 17.053 394 HG3 PRO 59 2HG PRO 59 21.829 6.893 16.385 395 HD2 PRO 59 1HD PRO 59 19.209 7.556 16.553 396 HD3 PRO 59 2HD PRO 59 20.262 8.148 15.252 397 H GLU 60 H GLU 60 17.645 5.127 15.751 398 HA GLU 60 HA GLU 60 17.866 2.525 16.823 399 HB2 GLU 60 1HB GLU 60 16.498 4.165 17.933 400 HB3 GLU 60 2HB GLU 60 15.486 4.357 16.508 401 HG2 GLU 60 1HG GLU 60 14.258 3.051 18.035 402 HG3 GLU 60 2HG GLU 60 14.825 1.950 16.780 403 H ALA 61 H ALA 61 16.002 3.811 14.090 404 HA ALA 61 HA ALA 61 15.109 1.138 13.367 405 HB1 ALA 61 1HB ALA 61 14.220 3.835 12.847 406 HB2 ALA 61 2HB ALA 61 14.318 2.892 11.359 407 HB3 ALA 61 3HB ALA 61 13.341 2.312 12.707 408 H GLN 62 H GLN 62 17.235 0.296 12.893 409 HA GLN 62 HA GLN 62 18.137 1.058 10.199 410 HB2 GLN 62 1HB GLN 62 19.877 0.396 12.579 411 HB3 GLN 62 2HB GLN 62 20.469 0.533 10.929 412 HG2 GLN 62 1HG GLN 62 19.869 2.856 10.849 413 HG3 GLN 62 2HG GLN 62 19.100 2.750 12.432 414 HE21 GLN 62 1HE2 GLN 62 21.432 4.305 11.293 415 HE22 GLN 62 2HE2 GLN 62 22.705 4.048 12.433 416 H ARG 63 H ARG 63 18.641 -0.596 8.831 417 HA ARG 63 HA ARG 63 18.675 -2.701 7.972 418 HB2 ARG 63 1HB ARG 63 19.681 -3.126 10.752 419 HB3 ARG 63 2HB ARG 63 19.288 -4.533 9.774 420 HG2 ARG 63 1HG ARG 63 21.069 -2.397 8.683 421 HG3 ARG 63 2HG ARG 63 21.706 -3.619 9.786 422 HD2 ARG 63 1HD ARG 63 22.017 -4.263 7.444 423 HD3 ARG 63 2HD ARG 63 20.955 -5.385 8.294 424 HE ARG 63 HE ARG 63 19.202 -4.708 6.957 425 HH11 ARG 63 2HH1 ARG 63 21.948 -2.622 6.477 426 HH12 ARG 63 1HH1 ARG 63 21.280 -1.848 5.079 427 HH21 ARG 63 2HH2 ARG 63 18.312 -3.696 5.117 428 HH22 ARG 63 1HH2 ARG 63 19.211 -2.459 4.307 429 H GLU 64 H GLU 64 16.195 -1.613 8.905 430 HA GLU 64 HA GLU 64 14.782 -4.013 9.849 431 HB2 GLU 64 1HB GLU 64 14.431 -2.072 11.259 432 HB3 GLU 64 2HB GLU 64 13.955 -1.107 9.869 433 HG2 GLU 64 1HG GLU 64 11.997 -1.732 11.087 434 HG3 GLU 64 2HG GLU 64 12.010 -2.595 9.550 435 H THR 65 H THR 65 12.708 -4.514 8.880 436 HA THR 65 HA THR 65 12.500 -3.616 6.080 437 HB THR 65 HB THR 65 11.658 -5.876 5.501 438 HG1 THR 65 1HG THR 65 11.967 -6.206 8.237 439 HG21 THR 65 1HG2 THR 65 14.197 -6.699 6.608 440 HG22 THR 65 2HG2 THR 65 14.298 -5.074 5.932 441 HG23 THR 65 3HG2 THR 65 13.747 -6.414 4.928 442 H VAL 66 H VAL 66 10.585 -2.817 5.499 443 HA VAL 66 HA VAL 66 8.237 -3.450 7.164 444 HB VAL 66 HB VAL 66 7.424 -1.193 6.937 445 HG11 VAL 66 1HG1 VAL 66 9.667 -1.928 8.418 446 HG12 VAL 66 2HG1 VAL 66 10.062 -0.347 7.740 447 HG13 VAL 66 3HG1 VAL 66 8.603 -0.553 8.710 448 HG21 VAL 66 1HG2 VAL 66 9.741 0.120 5.869 449 HG22 VAL 66 2HG2 VAL 66 9.151 -1.088 4.727 450 HG23 VAL 66 3HG2 VAL 66 8.070 0.177 5.310 451 H PHE 67 H PHE 67 6.150 -2.985 6.033 452 HA PHE 67 HA PHE 67 6.348 -3.893 3.253 453 HB2 PHE 67 1HB PHE 67 4.220 -4.103 5.357 454 HB3 PHE 67 2HB PHE 67 3.798 -4.270 3.656 455 HD1 PHE 67 2HD PHE 67 5.484 -5.911 2.345 456 HD2 PHE 67 1HD PHE 67 4.612 -6.037 6.509 457 HE1 PHE 67 2HE PHE 67 6.156 -8.277 2.411 458 HE2 PHE 67 1HE PHE 67 5.283 -8.403 6.582 459 HZ PHE 67 HZ PHE 67 6.056 -9.526 4.531 460 H VAL 68 H VAL 68 5.860 -2.586 1.617 461 HA VAL 68 HA VAL 68 4.277 -0.163 2.178 462 HB VAL 68 HB VAL 68 5.621 1.050 0.517 463 HG11 VAL 68 1HG1 VAL 68 7.005 -0.160 2.887 464 HG12 VAL 68 2HG1 VAL 68 7.803 1.038 1.867 465 HG13 VAL 68 3HG1 VAL 68 6.311 1.451 2.713 466 HG21 VAL 68 1HG2 VAL 68 7.213 -1.505 0.432 467 HG22 VAL 68 2HG2 VAL 68 6.377 -0.711 -0.903 468 HG23 VAL 68 3HG2 VAL 68 7.805 0.037 -0.186 469 H CYS 69 H CYS 69 3.599 0.858 -0.044 470 HA CYS 69 HA CYS 69 2.239 -1.276 -1.515 471 HB2 CYS 69 1HB CYS 69 0.662 0.361 -2.214 472 HB3 CYS 69 2HB CYS 69 0.970 0.675 -0.509 473 H ALA 70 H ALA 70 2.303 -1.444 -3.757 474 HA ALA 70 HA ALA 70 4.633 -1.250 -5.092 475 HB1 ALA 70 1HB ALA 70 3.468 -1.513 -7.112 476 HB2 ALA 70 2HB ALA 70 2.424 -2.238 -5.888 477 HB3 ALA 70 3HB ALA 70 2.062 -0.630 -6.516 478 H SER 71 H SER 71 2.091 1.244 -5.361 479 HA SER 71 HA SER 71 3.279 3.096 -6.919 480 HB2 SER 71 1HB SER 71 1.784 3.689 -4.353 481 HB3 SER 71 2HB SER 71 2.066 4.840 -5.659 482 HG SER 71 HG SER 71 1.006 2.952 -6.929 483 H CYS 72 H CYS 72 4.017 2.497 -3.522 484 HA CYS 72 HA CYS 72 5.967 4.632 -3.423 485 HB2 CYS 72 1HB CYS 72 5.169 2.502 -1.434 486 HB3 CYS 72 2HB CYS 72 6.412 3.709 -1.120 487 H ASN 73 H ASN 73 6.139 1.106 -2.889 488 HA ASN 73 HA ASN 73 8.795 0.685 -2.750 489 HB2 ASN 73 1HB ASN 73 7.171 -1.138 -2.668 490 HB3 ASN 73 2HB ASN 73 6.849 -0.952 -4.390 491 HD21 ASN 73 1HD2 ASN 73 8.522 -1.476 -5.880 492 HD22 ASN 73 2HD2 ASN 73 9.755 -2.607 -5.447 493 H GLN 74 H GLN 74 6.989 1.354 -5.707 494 HA GLN 74 HA GLN 74 9.141 0.950 -7.499 495 HB2 GLN 74 1HB GLN 74 6.505 2.368 -7.673 496 HB3 GLN 74 2HB GLN 74 7.675 2.520 -8.976 497 HG2 GLN 74 1HG GLN 74 7.708 0.037 -9.144 498 HG3 GLN 74 2HG GLN 74 6.397 -0.007 -7.966 499 HE21 GLN 74 1HE2 GLN 74 4.402 1.076 -8.541 500 HE22 GLN 74 2HE2 GLN 74 3.929 1.153 -10.201 501 H THR 75 H THR 75 7.859 3.839 -5.898 502 HA THR 75 HA THR 75 9.637 5.667 -7.137 503 HB THR 75 HB THR 75 8.194 5.949 -4.493 504 HG1 THR 75 1HG THR 75 7.444 6.452 -7.179 505 HG21 THR 75 1HG2 THR 75 8.543 8.291 -4.684 506 HG22 THR 75 2HG2 THR 75 9.173 8.133 -6.324 507 HG23 THR 75 3HG2 THR 75 10.111 7.534 -4.956 508 H LEU 76 H LEU 76 9.744 3.867 -4.096 509 HA LEU 76 HA LEU 76 12.070 5.087 -3.063 510 HB2 LEU 76 1HB LEU 76 10.959 2.330 -2.564 511 HB3 LEU 76 2HB LEU 76 12.203 3.117 -1.595 512 HG LEU 76 HG LEU 76 9.378 4.132 -1.900 513 HD11 LEU 76 1HD1 LEU 76 9.185 3.357 0.489 514 HD12 LEU 76 2HD1 LEU 76 10.664 2.435 0.224 515 HD13 LEU 76 3HD1 LEU 76 9.223 2.082 -0.729 516 HD21 LEU 76 1HD2 LEU 76 9.963 5.894 -0.643 517 HD22 LEU 76 2HD2 LEU 76 11.604 5.519 -1.167 518 HD23 LEU 76 3HD2 LEU 76 11.020 4.933 0.391 519 H SER 77 H SER 77 11.607 2.052 -4.861 520 HA SER 77 HA SER 77 14.489 1.735 -5.132 521 HB2 SER 77 1HB SER 77 12.988 -0.215 -4.633 522 HB3 SER 77 2HB SER 77 12.294 -0.026 -6.243 523 HG SER 77 HG SER 77 13.873 -1.357 -6.723 524 H LYS 78 H LYS 78 13.664 4.022 -6.374 525 HA LYS 78 HA LYS 78 13.577 3.351 -9.235 526 HB2 LYS 78 1HB LYS 78 11.795 4.848 -8.349 527 HB3 LYS 78 2HB LYS 78 13.037 6.012 -7.905 528 HG2 LYS 78 1HG LYS 78 13.529 6.517 -10.124 529 HG3 LYS 78 2HG LYS 78 12.757 5.049 -10.727 530 HD2 LYS 78 1HD LYS 78 10.608 5.907 -10.407 531 HD3 LYS 78 2HD LYS 78 11.173 7.155 -9.294 532 HE2 LYS 78 1HE LYS 78 12.060 7.118 -12.157 533 HE3 LYS 78 2HE LYS 78 10.517 7.835 -11.695 534 HZ1 LYS 78 1HZ LYS 78 11.606 9.407 -10.332 535 HZ2 LYS 78 2HZ LYS 78 12.445 9.403 -11.801 536 HZ3 LYS 78 3HZ LYS 78 13.095 8.611 -10.454 537 H SER 79 H SER 79 14.997 4.394 -10.694 538 HA SER 79 HA SER 79 17.482 5.342 -9.430 539 HB2 SER 79 1HB SER 79 18.671 4.504 -11.386 540 HB3 SER 79 2HB SER 79 17.686 3.215 -10.694 541 HG SER 79 HG SER 79 17.494 4.467 -13.137 542 H GLY 80 H GLY 80 17.281 7.522 -9.413 543 HA2 GLY 80 1HA GLY 80 16.366 8.878 -11.846 544 HA3 GLY 80 2HA GLY 80 16.549 9.615 -10.261 545 HA PRO 81 HA PRO 81 20.238 10.495 -13.102 546 HB2 PRO 81 1HB PRO 81 19.768 13.142 -13.482 547 HB3 PRO 81 2HB PRO 81 19.129 11.890 -14.553 548 HG2 PRO 81 1HG PRO 81 17.769 13.347 -12.319 549 HG3 PRO 81 2HG PRO 81 17.150 12.940 -13.930 550 HD2 PRO 81 1HD PRO 81 16.515 11.509 -11.721 551 HD3 PRO 81 2HD PRO 81 16.654 10.770 -13.329 552 H SER 82 H SER 82 21.991 12.066 -12.629 553 HA SER 82 HA SER 82 21.925 13.542 -10.174 554 HB2 SER 82 1HB SER 82 23.369 12.239 -8.841 555 HB3 SER 82 2HB SER 82 22.223 11.073 -9.503 556 HG SER 82 HG SER 82 24.839 11.611 -10.469 557 H SER 83 H SER 83 23.174 15.250 -10.496 558 HA SER 83 HA SER 83 25.757 14.978 -11.792 559 HB2 SER 83 1HB SER 83 23.488 16.579 -12.966 560 HB3 SER 83 2HB SER 83 25.173 16.961 -13.319 561 HG SER 83 HG SER 83 24.410 14.305 -13.603 562 H GLY 84 H GLY 84 27.130 16.815 -11.488 563 HA2 GLY 84 1HA GLY 84 26.794 18.060 -8.962 564 HA3 GLY 84 2HA GLY 84 28.053 18.424 -10.132 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -9.989 38.349 -20.282 2 HA2 GLY 1 1HA GLY 1 -11.724 37.598 -18.252 3 HA3 GLY 1 2HA GLY 1 -11.719 36.898 -19.863 4 H SER 2 H SER 2 -10.052 36.695 -16.732 5 HA SER 2 HA SER 2 -9.507 33.859 -17.286 6 HB2 SER 2 1HB SER 2 -8.155 35.912 -15.569 7 HB3 SER 2 2HB SER 2 -7.987 34.201 -15.175 8 HG SER 2 HG SER 2 -7.586 34.880 -17.830 9 H SER 3 H SER 3 -11.093 32.610 -16.537 10 HA SER 3 HA SER 3 -11.830 32.837 -13.724 11 HB2 SER 3 1HB SER 3 -13.491 34.084 -15.321 12 HB3 SER 3 2HB SER 3 -14.049 32.456 -15.706 13 HG SER 3 HG SER 3 -15.107 32.498 -13.905 14 H GLY 4 H GLY 4 -12.194 30.901 -12.759 15 HA2 GLY 4 1HA GLY 4 -12.760 28.542 -14.360 16 HA3 GLY 4 2HA GLY 4 -11.186 28.563 -13.579 17 H SER 5 H SER 5 -12.029 26.601 -12.533 18 HA SER 5 HA SER 5 -13.996 27.104 -10.425 19 HB2 SER 5 1HB SER 5 -14.315 25.100 -11.824 20 HB3 SER 5 2HB SER 5 -12.732 24.503 -11.327 21 HG SER 5 HG SER 5 -14.519 25.178 -9.305 22 H SER 6 H SER 6 -11.544 28.379 -10.086 23 HA SER 6 HA SER 6 -9.494 27.231 -8.763 24 HB2 SER 6 1HB SER 6 -10.925 29.815 -8.150 25 HB3 SER 6 2HB SER 6 -9.455 29.336 -7.302 26 HG SER 6 HG SER 6 -8.722 29.015 -9.671 27 H GLY 7 H GLY 7 -9.735 25.519 -7.437 28 HA2 GLY 7 1HA GLY 7 -9.959 25.367 -4.877 29 HA3 GLY 7 2HA GLY 7 -11.643 25.748 -5.205 30 H ARG 8 H ARG 8 -9.669 23.289 -4.463 31 HA ARG 8 HA ARG 8 -11.317 21.328 -5.921 32 HB2 ARG 8 1HB ARG 8 -9.401 19.779 -5.808 33 HB3 ARG 8 2HB ARG 8 -9.024 21.236 -6.717 34 HG2 ARG 8 1HG ARG 8 -7.824 22.143 -4.812 35 HG3 ARG 8 2HG ARG 8 -8.245 20.721 -3.855 36 HD2 ARG 8 1HD ARG 8 -6.055 20.324 -4.599 37 HD3 ARG 8 2HD ARG 8 -7.080 19.360 -5.663 38 HE ARG 8 HE ARG 8 -6.365 20.628 -7.421 39 HH11 ARG 8 2HH1 ARG 8 -5.710 22.342 -4.462 40 HH12 ARG 8 1HH1 ARG 8 -4.827 23.614 -5.241 41 HH21 ARG 8 2HH2 ARG 8 -5.205 22.296 -8.458 42 HH22 ARG 8 1HH2 ARG 8 -4.542 23.587 -7.514 43 H TYR 9 H TYR 9 -11.594 19.249 -4.786 44 HA TYR 9 HA TYR 9 -11.758 19.667 -1.874 45 HB2 TYR 9 1HB TYR 9 -13.547 17.769 -2.135 46 HB3 TYR 9 2HB TYR 9 -13.969 19.435 -2.515 47 HD1 TYR 9 2HD TYR 9 -12.915 16.222 -4.050 48 HD2 TYR 9 1HD TYR 9 -14.740 20.018 -4.656 49 HE1 TYR 9 2HE TYR 9 -13.597 15.527 -6.308 50 HE2 TYR 9 1HE TYR 9 -15.428 19.333 -6.916 51 HH TYR 9 HH TYR 9 -14.162 16.924 -8.572 52 HA PRO 10 HA PRO 10 -8.921 16.325 -1.386 53 HB2 PRO 10 1HB PRO 10 -9.433 15.763 1.220 54 HB3 PRO 10 2HB PRO 10 -8.517 17.185 0.706 55 HG2 PRO 10 1HG PRO 10 -11.397 16.970 1.493 56 HG3 PRO 10 2HG PRO 10 -10.209 18.212 1.927 57 HD2 PRO 10 1HD PRO 10 -12.057 18.581 -0.017 58 HD3 PRO 10 2HD PRO 10 -10.443 19.317 -0.082 59 H THR 11 H THR 11 -9.031 14.077 -0.124 60 HA THR 11 HA THR 11 -11.086 12.573 -1.457 61 HB THR 11 HB THR 11 -8.836 11.650 -1.316 62 HG1 THR 11 1HG THR 11 -10.259 9.939 0.383 63 HG21 THR 11 1HG2 THR 11 -8.600 12.696 1.106 64 HG22 THR 11 2HG2 THR 11 -7.664 11.283 0.617 65 HG23 THR 11 3HG2 THR 11 -9.121 11.083 1.591 66 H ASN 12 H ASN 12 -13.084 12.661 -0.624 67 HA ASN 12 HA ASN 12 -13.974 13.284 1.843 68 HB2 ASN 12 1HB ASN 12 -15.377 12.680 -0.166 69 HB3 ASN 12 2HB ASN 12 -15.148 10.988 0.267 70 HD21 ASN 12 1HD2 ASN 12 -16.044 10.218 2.218 71 HD22 ASN 12 2HD2 ASN 12 -17.369 11.032 2.970 72 H ASN 13 H ASN 13 -13.525 9.875 0.878 73 HA ASN 13 HA ASN 13 -12.245 9.238 3.373 74 HB2 ASN 13 1HB ASN 13 -13.951 7.559 4.060 75 HB3 ASN 13 2HB ASN 13 -14.539 9.216 4.149 76 HD21 ASN 13 1HD2 ASN 13 -16.676 8.520 4.034 77 HD22 ASN 13 2HD2 ASN 13 -17.377 7.964 2.556 78 H PHE 14 H PHE 14 -12.179 6.654 3.506 79 HA PHE 14 HA PHE 14 -11.100 5.824 0.923 80 HB2 PHE 14 1HB PHE 14 -10.859 4.532 3.649 81 HB3 PHE 14 2HB PHE 14 -10.029 4.005 2.189 82 HD1 PHE 14 2HD PHE 14 -8.591 5.872 1.011 83 HD2 PHE 14 1HD PHE 14 -9.751 5.915 5.106 84 HE1 PHE 14 2HE PHE 14 -6.730 7.399 1.518 85 HE2 PHE 14 1HE PHE 14 -7.892 7.443 5.620 86 HZ PHE 14 HZ PHE 14 -6.378 8.185 3.825 87 H GLY 15 H GLY 15 -11.325 3.326 0.560 88 HA2 GLY 15 1HA GLY 15 -13.676 2.016 1.432 89 HA3 GLY 15 2HA GLY 15 -13.979 2.798 -0.112 90 H ASN 16 H ASN 16 -11.381 2.435 -1.220 91 HA ASN 16 HA ASN 16 -11.098 -0.481 -1.331 92 HB2 ASN 16 1HB ASN 16 -10.995 1.072 -3.889 93 HB3 ASN 16 2HB ASN 16 -11.362 -0.632 -3.631 94 HD21 ASN 16 1HD2 ASN 16 -13.355 -0.710 -1.922 95 HD22 ASN 16 2HD2 ASN 16 -14.737 0.151 -2.500 96 H CYS 17 H CYS 17 -9.110 -1.073 -2.688 97 HA CYS 17 HA CYS 17 -6.836 0.035 -1.517 98 HB2 CYS 17 1HB CYS 17 -6.837 -2.207 -2.469 99 HB3 CYS 17 2HB CYS 17 -7.085 -1.548 -4.083 100 H THR 18 H THR 18 -5.195 1.380 -2.305 101 HA THR 18 HA THR 18 -6.134 3.383 -4.210 102 HB THR 18 HB THR 18 -3.629 3.461 -2.521 103 HG1 THR 18 1HG THR 18 -4.978 3.780 -0.926 104 HG21 THR 18 1HG2 THR 18 -3.307 5.111 -4.086 105 HG22 THR 18 2HG2 THR 18 -4.221 6.008 -2.874 106 HG23 THR 18 3HG2 THR 18 -5.034 5.387 -4.310 107 H GLY 19 H GLY 19 -5.079 0.648 -4.942 108 HA2 GLY 19 1HA GLY 19 -3.059 1.611 -6.864 109 HA3 GLY 19 2HA GLY 19 -2.815 0.107 -5.989 110 H CYS 20 H CYS 20 -5.245 -1.092 -6.095 111 HA CYS 20 HA CYS 20 -5.693 -1.414 -8.991 112 HB2 CYS 20 1HB CYS 20 -6.240 -3.771 -8.521 113 HB3 CYS 20 2HB CYS 20 -4.599 -3.372 -8.023 114 H SER 21 H SER 21 -7.056 -0.222 -6.264 115 HA SER 21 HA SER 21 -9.170 0.298 -5.599 116 HB2 SER 21 1HB SER 21 -9.340 0.163 -8.571 117 HB3 SER 21 2HB SER 21 -10.853 0.266 -7.670 118 HG SER 21 HG SER 21 -8.777 2.019 -7.003 119 H ALA 22 H ALA 22 -8.469 -2.328 -5.119 120 HA ALA 22 HA ALA 22 -10.828 -3.914 -5.841 121 HB1 ALA 22 1HB ALA 22 -8.130 -4.669 -4.751 122 HB2 ALA 22 2HB ALA 22 -9.481 -5.802 -4.816 123 HB3 ALA 22 3HB ALA 22 -8.846 -5.101 -6.304 124 H THR 23 H THR 23 -12.450 -3.431 -4.470 125 HA THR 23 HA THR 23 -12.461 -2.479 -1.947 126 HB THR 23 HB THR 23 -14.305 -4.733 -2.743 127 HG1 THR 23 1HG THR 23 -14.484 -3.348 -4.430 128 HG21 THR 23 1HG2 THR 23 -15.147 -2.295 -1.255 129 HG22 THR 23 2HG2 THR 23 -14.227 -3.527 -0.390 130 HG23 THR 23 3HG2 THR 23 -15.759 -3.945 -1.156 131 H PHE 24 H PHE 24 -12.404 -3.281 0.157 132 HA PHE 24 HA PHE 24 -10.820 -5.707 0.468 133 HB2 PHE 24 1HB PHE 24 -11.645 -3.730 2.600 134 HB3 PHE 24 2HB PHE 24 -10.378 -4.947 2.711 135 HD1 PHE 24 1HD PHE 24 -8.342 -4.707 1.247 136 HD2 PHE 24 2HD PHE 24 -11.200 -1.594 1.756 137 HE1 PHE 24 1HE PHE 24 -6.694 -3.067 0.441 138 HE2 PHE 24 2HE PHE 24 -9.558 0.051 0.950 139 HZ PHE 24 HZ PHE 24 -7.302 -0.684 0.291 140 H SER 25 H SER 25 -11.613 -7.580 1.170 141 HA SER 25 HA SER 25 -14.390 -7.627 2.137 142 HB2 SER 25 1HB SER 25 -14.597 -9.812 1.263 143 HB3 SER 25 2HB SER 25 -13.682 -8.933 0.039 144 HG SER 25 HG SER 25 -11.822 -9.917 0.736 145 H VAL 26 H VAL 26 -14.667 -9.868 3.458 146 HA VAL 26 HA VAL 26 -13.664 -9.426 5.989 147 HB VAL 26 HB VAL 26 -14.300 -11.751 6.524 148 HG11 VAL 26 1HG1 VAL 26 -16.069 -10.208 6.635 149 HG12 VAL 26 2HG1 VAL 26 -16.182 -10.084 4.878 150 HG13 VAL 26 3HG1 VAL 26 -16.700 -11.560 5.694 151 HG21 VAL 26 1HG2 VAL 26 -14.275 -11.975 3.563 152 HG22 VAL 26 2HG2 VAL 26 -13.785 -13.143 4.790 153 HG23 VAL 26 3HG2 VAL 26 -15.496 -12.888 4.449 154 H LEU 27 H LEU 27 -12.386 -11.556 3.463 155 HA LEU 27 HA LEU 27 -10.235 -12.531 5.077 156 HB2 LEU 27 1HB LEU 27 -10.883 -12.671 2.151 157 HB3 LEU 27 2HB LEU 27 -9.359 -13.287 2.787 158 HG LEU 27 HG LEU 27 -12.061 -14.249 3.713 159 HD11 LEU 27 1HD1 LEU 27 -11.066 -16.308 2.300 160 HD12 LEU 27 2HD1 LEU 27 -10.455 -14.957 1.345 161 HD13 LEU 27 3HD1 LEU 27 -12.186 -15.118 1.637 162 HD21 LEU 27 1HD2 LEU 27 -9.730 -14.490 4.994 163 HD22 LEU 27 2HD2 LEU 27 -9.591 -15.869 3.903 164 HD23 LEU 27 3HD2 LEU 27 -10.963 -15.752 5.006 165 H LYS 28 H LYS 28 -10.276 -10.437 2.187 166 HA LYS 28 HA LYS 28 -7.582 -9.630 2.438 167 HB2 LYS 28 1HB LYS 28 -9.016 -9.500 0.360 168 HB3 LYS 28 2HB LYS 28 -9.787 -8.087 1.069 169 HG2 LYS 28 1HG LYS 28 -7.885 -6.785 0.871 170 HG3 LYS 28 2HG LYS 28 -6.816 -8.186 0.762 171 HD2 LYS 28 1HD LYS 28 -8.837 -7.960 -1.370 172 HD3 LYS 28 2HD LYS 28 -7.597 -6.704 -1.362 173 HE2 LYS 28 1HE LYS 28 -6.842 -8.499 -2.757 174 HE3 LYS 28 2HE LYS 28 -5.873 -8.497 -1.284 175 HZ1 LYS 28 1HZ LYS 28 -7.487 -10.228 -0.443 176 HZ2 LYS 28 2HZ LYS 28 -6.434 -10.723 -1.671 177 HZ3 LYS 28 3HZ LYS 28 -8.046 -10.360 -2.035 178 H LYS 29 H LYS 29 -7.221 -8.953 4.558 179 HA LYS 29 HA LYS 29 -8.773 -6.920 5.816 180 HB2 LYS 29 1HB LYS 29 -6.918 -6.879 7.477 181 HB3 LYS 29 2HB LYS 29 -7.563 -8.489 7.185 182 HG2 LYS 29 1HG LYS 29 -5.583 -8.533 5.412 183 HG3 LYS 29 2HG LYS 29 -4.904 -7.361 6.543 184 HD2 LYS 29 1HD LYS 29 -6.074 -9.857 7.654 185 HD3 LYS 29 2HD LYS 29 -4.519 -9.968 6.827 186 HE2 LYS 29 1HE LYS 29 -4.125 -9.625 9.172 187 HE3 LYS 29 2HE LYS 29 -3.667 -8.162 8.301 188 HZ1 LYS 29 1HZ LYS 29 -5.502 -8.428 10.398 189 HZ2 LYS 29 2HZ LYS 29 -6.359 -7.941 9.024 190 HZ3 LYS 29 3HZ LYS 29 -5.050 -7.021 9.573 191 H ARG 30 H ARG 30 -8.739 -4.817 5.413 192 HA ARG 30 HA ARG 30 -7.217 -3.537 3.522 193 HB2 ARG 30 1HB ARG 30 -9.274 -2.755 4.998 194 HB3 ARG 30 2HB ARG 30 -8.008 -1.988 5.946 195 HG2 ARG 30 1HG ARG 30 -7.442 -0.526 4.265 196 HG3 ARG 30 2HG ARG 30 -8.077 -1.575 2.996 197 HD2 ARG 30 1HD ARG 30 -9.671 0.090 3.071 198 HD3 ARG 30 2HD ARG 30 -10.367 -1.123 4.146 199 HE ARG 30 HE ARG 30 -8.753 0.765 5.551 200 HH11 ARG 30 2HH1 ARG 30 -11.895 0.252 4.142 201 HH12 ARG 30 1HH1 ARG 30 -12.691 1.381 5.187 202 HH21 ARG 30 2HH2 ARG 30 -9.790 2.255 6.931 203 HH22 ARG 30 1HH2 ARG 30 -11.493 2.521 6.772 204 H ARG 31 H ARG 31 -5.064 -3.529 3.417 205 HA ARG 31 HA ARG 31 -3.469 -3.336 5.843 206 HB2 ARG 31 1HB ARG 31 -2.947 -4.062 3.003 207 HB3 ARG 31 2HB ARG 31 -1.607 -3.415 3.940 208 HG2 ARG 31 1HG ARG 31 -1.485 -5.240 5.293 209 HG3 ARG 31 2HG ARG 31 -3.205 -5.604 5.143 210 HD2 ARG 31 1HD ARG 31 -2.794 -6.325 2.804 211 HD3 ARG 31 2HD ARG 31 -1.069 -6.072 3.068 212 HE ARG 31 HE ARG 31 -2.690 -8.248 4.074 213 HH11 ARG 31 2HH1 ARG 31 0.305 -6.489 4.309 214 HH12 ARG 31 1HH1 ARG 31 1.158 -7.788 5.076 215 HH21 ARG 31 2HH2 ARG 31 -1.578 -9.965 5.083 216 HH22 ARG 31 1HH2 ARG 31 0.087 -9.764 5.515 217 H SER 32 H SER 32 -1.979 -1.697 6.263 218 HA SER 32 HA SER 32 -2.444 0.794 4.759 219 HB2 SER 32 1HB SER 32 -1.572 0.512 7.645 220 HB3 SER 32 2HB SER 32 -1.958 2.015 6.807 221 HG SER 32 HG SER 32 -4.088 1.378 6.683 222 H CYS 33 H CYS 33 -0.784 1.568 3.649 223 HA CYS 33 HA CYS 33 1.686 0.358 3.416 224 HB2 CYS 33 1HB CYS 33 0.687 2.046 1.844 225 HB3 CYS 33 2HB CYS 33 1.163 3.303 2.982 226 H SER 34 H SER 34 3.840 1.300 3.940 227 HA SER 34 HA SER 34 3.869 2.124 6.751 228 HB2 SER 34 1HB SER 34 5.140 0.070 5.954 229 HB3 SER 34 2HB SER 34 6.227 1.178 5.117 230 HG SER 34 HG SER 34 7.212 1.142 6.988 231 H ASN 35 H ASN 35 4.861 3.130 3.558 232 HA ASN 35 HA ASN 35 6.363 5.399 4.575 233 HB2 ASN 35 1HB ASN 35 7.266 4.321 2.621 234 HB3 ASN 35 2HB ASN 35 5.732 4.467 1.769 235 HD21 ASN 35 1HD2 ASN 35 6.178 5.765 0.119 236 HD22 ASN 35 2HD2 ASN 35 6.880 7.338 0.247 237 H CYS 36 H CYS 36 3.919 5.286 1.996 238 HA CYS 36 HA CYS 36 3.054 7.936 2.457 239 HB2 CYS 36 1HB CYS 36 1.403 7.532 0.783 240 HB3 CYS 36 2HB CYS 36 2.841 6.639 0.299 241 H GLY 37 H GLY 37 2.006 4.834 3.679 242 HA2 GLY 37 1HA GLY 37 0.643 4.343 5.471 243 HA3 GLY 37 2HA GLY 37 0.529 6.068 5.790 244 H ASN 38 H ASN 38 -0.370 4.401 2.810 245 HA ASN 38 HA ASN 38 -3.114 5.381 3.197 246 HB2 ASN 38 1HB ASN 38 -1.838 4.470 0.612 247 HB3 ASN 38 2HB ASN 38 -3.362 5.331 0.804 248 HD21 ASN 38 1HD2 ASN 38 -1.165 6.122 -0.813 249 HD22 ASN 38 2HD2 ASN 38 -0.593 7.636 -0.208 250 H SER 39 H SER 39 -4.758 3.954 1.927 251 HA SER 39 HA SER 39 -4.613 1.324 3.115 252 HB2 SER 39 1HB SER 39 -6.924 1.074 2.332 253 HB3 SER 39 2HB SER 39 -6.716 2.610 3.173 254 HG SER 39 HG SER 39 -6.315 3.441 0.925 255 H PHE 40 H PHE 40 -4.460 -0.614 2.071 256 HA PHE 40 HA PHE 40 -4.491 -0.764 -0.813 257 HB2 PHE 40 1HB PHE 40 -1.948 -1.269 0.743 258 HB3 PHE 40 2HB PHE 40 -2.197 -1.758 -0.930 259 HD1 PHE 40 1HD PHE 40 -2.714 0.065 -2.633 260 HD2 PHE 40 2HD PHE 40 -1.177 0.863 1.255 261 HE1 PHE 40 1HE PHE 40 -1.947 2.275 -3.394 262 HE2 PHE 40 2HE PHE 40 -0.408 3.075 0.501 263 HZ PHE 40 HZ PHE 40 -0.793 3.784 -1.826 264 H CYS 41 H CYS 41 -4.230 -3.004 -1.588 265 HA CYS 41 HA CYS 41 -5.599 -4.822 0.187 266 HB2 CYS 41 1HB CYS 41 -5.670 -6.319 -1.768 267 HB3 CYS 41 2HB CYS 41 -6.259 -4.707 -2.161 268 H SER 42 H SER 42 -4.776 -7.253 -0.134 269 HA SER 42 HA SER 42 -2.206 -7.317 1.174 270 HB2 SER 42 1HB SER 42 -2.643 -9.716 1.447 271 HB3 SER 42 2HB SER 42 -4.046 -8.768 1.940 272 HG SER 42 HG SER 42 -3.917 -10.684 0.105 273 H ARG 43 H ARG 43 -2.788 -6.815 -1.872 274 HA ARG 43 HA ARG 43 -0.701 -8.656 -2.844 275 HB2 ARG 43 1HB ARG 43 -3.051 -7.466 -4.323 276 HB3 ARG 43 2HB ARG 43 -1.726 -8.309 -5.114 277 HG2 ARG 43 1HG ARG 43 -3.164 -9.692 -2.912 278 HG3 ARG 43 2HG ARG 43 -3.957 -9.542 -4.482 279 HD2 ARG 43 1HD ARG 43 -1.803 -10.470 -5.474 280 HD3 ARG 43 2HD ARG 43 -1.358 -10.898 -3.822 281 HE ARG 43 HE ARG 43 -3.275 -12.221 -5.493 282 HH11 ARG 43 2HH1 ARG 43 -2.367 -11.533 -2.203 283 HH12 ARG 43 1HH1 ARG 43 -3.161 -12.930 -1.555 284 HH21 ARG 43 2HH2 ARG 43 -4.323 -14.063 -4.652 285 HH22 ARG 43 1HH2 ARG 43 -4.272 -14.369 -2.948 286 H CYS 44 H CYS 44 -1.769 -5.391 -2.512 287 HA CYS 44 HA CYS 44 0.330 -4.386 -4.282 288 HB2 CYS 44 1HB CYS 44 -1.970 -3.054 -2.854 289 HB3 CYS 44 2HB CYS 44 -0.711 -2.138 -3.677 290 H CYS 45 H CYS 45 -0.564 -4.535 -0.895 291 HA CYS 45 HA CYS 45 1.753 -2.935 -0.129 292 HB2 CYS 45 1HB CYS 45 -0.452 -2.576 0.981 293 HB3 CYS 45 2HB CYS 45 -0.349 -4.206 1.634 294 HG CYS 45 HG CYS 45 2.344 -3.250 2.722 295 H SER 46 H SER 46 2.257 -5.442 -1.378 296 HA SER 46 HA SER 46 3.354 -7.007 0.865 297 HB2 SER 46 1HB SER 46 1.656 -7.997 -0.912 298 HB3 SER 46 2HB SER 46 3.120 -8.168 -1.880 299 HG SER 46 HG SER 46 3.973 -9.202 0.150 300 H PHE 47 H PHE 47 4.649 -4.692 -0.134 301 HA PHE 47 HA PHE 47 6.990 -5.873 -1.480 302 HB2 PHE 47 1HB PHE 47 5.895 -3.061 -1.585 303 HB3 PHE 47 2HB PHE 47 7.491 -3.496 -2.188 304 HD1 PHE 47 2HD PHE 47 7.698 -5.054 -4.105 305 HD2 PHE 47 1HD PHE 47 3.938 -3.525 -2.826 306 HE1 PHE 47 2HE PHE 47 6.709 -5.690 -6.266 307 HE2 PHE 47 1HE PHE 47 2.942 -4.159 -4.985 308 HZ PHE 47 HZ PHE 47 4.328 -5.242 -6.709 309 H LYS 48 H LYS 48 8.570 -6.239 -0.079 310 HA LYS 48 HA LYS 48 8.775 -4.761 2.391 311 HB2 LYS 48 1HB LYS 48 10.341 -7.032 1.182 312 HB3 LYS 48 2HB LYS 48 10.851 -6.243 2.669 313 HG2 LYS 48 1HG LYS 48 8.531 -6.774 3.562 314 HG3 LYS 48 2HG LYS 48 8.363 -7.841 2.167 315 HD2 LYS 48 1HD LYS 48 9.173 -9.305 3.746 316 HD3 LYS 48 2HD LYS 48 10.673 -8.770 2.984 317 HE2 LYS 48 1HE LYS 48 11.313 -7.535 4.796 318 HE3 LYS 48 2HE LYS 48 9.655 -7.214 5.301 319 HZ1 LYS 48 1HZ LYS 48 9.508 -9.201 6.401 320 HZ2 LYS 48 2HZ LYS 48 11.143 -8.846 6.645 321 HZ3 LYS 48 3HZ LYS 48 10.688 -9.959 5.456 322 H VAL 49 H VAL 49 9.844 -2.919 2.612 323 HA VAL 49 HA VAL 49 12.231 -2.449 0.963 324 HB VAL 49 HB VAL 49 11.607 -0.108 0.637 325 HG11 VAL 49 1HG1 VAL 49 10.288 -2.368 -0.539 326 HG12 VAL 49 2HG1 VAL 49 9.212 -0.969 -0.544 327 HG13 VAL 49 3HG1 VAL 49 10.805 -0.860 -1.293 328 HG21 VAL 49 1HG2 VAL 49 9.402 -0.869 2.434 329 HG22 VAL 49 2HG2 VAL 49 10.209 0.685 2.220 330 HG23 VAL 49 3HG2 VAL 49 8.960 0.175 1.084 331 HA PRO 50 HA PRO 50 14.096 -1.337 4.793 332 HB2 PRO 50 1HB PRO 50 16.153 0.164 3.852 333 HB3 PRO 50 2HB PRO 50 16.108 -1.597 3.716 334 HG2 PRO 50 1HG PRO 50 15.430 0.479 1.669 335 HG3 PRO 50 2HG PRO 50 16.353 -1.023 1.476 336 HD2 PRO 50 1HD PRO 50 13.755 -0.805 0.744 337 HD3 PRO 50 2HD PRO 50 14.453 -2.322 1.347 338 H LYS 51 H LYS 51 13.478 0.136 6.233 339 HA LYS 51 HA LYS 51 12.378 2.661 5.393 340 HB2 LYS 51 1HB LYS 51 12.004 2.996 7.847 341 HB3 LYS 51 2HB LYS 51 11.275 1.533 7.197 342 HG2 LYS 51 1HG LYS 51 12.846 0.150 8.226 343 HG3 LYS 51 2HG LYS 51 13.973 1.481 8.498 344 HD2 LYS 51 1HD LYS 51 13.100 1.229 10.606 345 HD3 LYS 51 2HD LYS 51 11.996 2.436 9.942 346 HE2 LYS 51 1HE LYS 51 10.296 0.866 9.611 347 HE3 LYS 51 2HE LYS 51 11.408 -0.498 9.728 348 HZ1 LYS 51 1HZ LYS 51 11.648 0.741 12.136 349 HZ2 LYS 51 2HZ LYS 51 10.727 -0.643 11.826 350 HZ3 LYS 51 3HZ LYS 51 9.995 0.882 11.803 351 H SER 52 H SER 52 15.321 1.523 6.923 352 HA SER 52 HA SER 52 16.384 3.812 7.986 353 HB2 SER 52 1HB SER 52 17.600 1.781 8.237 354 HB3 SER 52 2HB SER 52 17.734 1.561 6.493 355 HG SER 52 HG SER 52 19.416 2.807 8.119 356 H SER 53 H SER 53 15.800 3.098 4.665 357 HA SER 53 HA SER 53 17.329 5.474 3.842 358 HB2 SER 53 1HB SER 53 17.060 4.493 1.513 359 HB3 SER 53 2HB SER 53 18.084 3.574 2.616 360 HG SER 53 HG SER 53 16.747 1.969 2.456 361 H MET 54 H MET 54 15.165 6.299 5.009 362 HA MET 54 HA MET 54 13.305 6.935 2.817 363 HB2 MET 54 1HB MET 54 12.704 6.126 5.643 364 HB3 MET 54 2HB MET 54 11.583 7.153 4.760 365 HG2 MET 54 1HG MET 54 11.759 5.311 2.934 366 HG3 MET 54 2HG MET 54 12.340 4.314 4.265 367 HE1 MET 54 1HE MET 54 9.178 3.037 3.300 368 HE2 MET 54 2HE MET 54 10.823 2.737 3.861 369 HE3 MET 54 3HE MET 54 9.472 2.621 4.989 370 H GLY 55 H GLY 55 14.762 8.797 2.576 371 HA2 GLY 55 1HA GLY 55 15.060 11.071 2.763 372 HA3 GLY 55 2HA GLY 55 13.693 11.095 3.867 373 H ALA 56 H ALA 56 14.039 11.054 6.068 374 HA ALA 56 HA ALA 56 16.816 11.546 6.883 375 HB1 ALA 56 1HB ALA 56 16.058 13.092 8.314 376 HB2 ALA 56 2HB ALA 56 14.571 13.017 7.368 377 HB3 ALA 56 3HB ALA 56 14.719 12.077 8.853 378 H THR 57 H THR 57 17.738 9.656 7.436 379 HA THR 57 HA THR 57 16.323 7.504 8.658 380 HB THR 57 HB THR 57 18.320 7.132 7.254 381 HG1 THR 57 1HG THR 57 17.798 5.513 8.740 382 HG21 THR 57 1HG2 THR 57 19.879 8.256 9.583 383 HG22 THR 57 2HG2 THR 57 19.603 9.102 8.060 384 HG23 THR 57 3HG2 THR 57 20.537 7.607 8.082 385 H ALA 58 H ALA 58 16.469 6.719 10.769 386 HA ALA 58 HA ALA 58 17.448 8.669 12.752 387 HB1 ALA 58 1HB ALA 58 15.485 8.622 13.792 388 HB2 ALA 58 2HB ALA 58 14.850 7.737 12.404 389 HB3 ALA 58 3HB ALA 58 15.463 6.858 13.805 390 HA PRO 59 HA PRO 59 20.081 5.570 14.416 391 HB2 PRO 59 1HB PRO 59 20.143 6.316 17.025 392 HB3 PRO 59 2HB PRO 59 20.965 7.221 15.748 393 HG2 PRO 59 1HG PRO 59 18.326 7.761 17.055 394 HG3 PRO 59 2HG PRO 59 19.619 8.899 16.631 395 HD2 PRO 59 1HD PRO 59 17.397 8.588 15.115 396 HD3 PRO 59 2HD PRO 59 18.978 8.999 14.419 397 H GLU 60 H GLU 60 16.824 5.639 14.995 398 HA GLU 60 HA GLU 60 16.905 3.366 16.859 399 HB2 GLU 60 1HB GLU 60 14.487 3.816 17.194 400 HB3 GLU 60 2HB GLU 60 15.511 5.172 17.645 401 HG2 GLU 60 1HG GLU 60 14.843 6.450 15.838 402 HG3 GLU 60 2HG GLU 60 14.298 5.048 14.919 403 H ALA 61 H ALA 61 16.147 4.305 13.629 404 HA ALA 61 HA ALA 61 15.053 1.618 13.102 405 HB1 ALA 61 1HB ALA 61 13.295 2.723 12.283 406 HB2 ALA 61 2HB ALA 61 14.159 4.261 12.269 407 HB3 ALA 61 3HB ALA 61 14.340 3.136 10.923 408 H GLN 62 H GLN 62 16.984 0.597 12.642 409 HA GLN 62 HA GLN 62 18.314 1.496 10.176 410 HB2 GLN 62 1HB GLN 62 19.532 0.686 12.788 411 HB3 GLN 62 2HB GLN 62 20.400 0.362 11.293 412 HG2 GLN 62 1HG GLN 62 19.958 2.872 10.801 413 HG3 GLN 62 2HG GLN 62 19.692 2.976 12.541 414 HE21 GLN 62 1HE2 GLN 62 21.537 4.404 12.512 415 HE22 GLN 62 2HE2 GLN 62 23.131 3.738 12.535 416 H ARG 63 H ARG 63 19.242 -0.172 8.885 417 HA ARG 63 HA ARG 63 18.837 -2.114 7.708 418 HB2 ARG 63 1HB ARG 63 19.742 -3.097 10.418 419 HB3 ARG 63 2HB ARG 63 19.669 -4.107 8.980 420 HG2 ARG 63 1HG ARG 63 21.393 -2.924 7.924 421 HG3 ARG 63 2HG ARG 63 21.267 -1.571 9.050 422 HD2 ARG 63 1HD ARG 63 22.284 -2.770 10.783 423 HD3 ARG 63 2HD ARG 63 22.008 -4.321 9.991 424 HE ARG 63 HE ARG 63 23.652 -3.208 8.255 425 HH11 ARG 63 2HH1 ARG 63 23.794 -3.210 11.733 426 HH12 ARG 63 1HH1 ARG 63 25.523 -3.119 11.793 427 HH21 ARG 63 2HH2 ARG 63 25.929 -3.088 8.320 428 HH22 ARG 63 1HH2 ARG 63 26.737 -3.049 9.851 429 H GLU 64 H GLU 64 16.417 -1.110 8.721 430 HA GLU 64 HA GLU 64 15.003 -3.533 9.604 431 HB2 GLU 64 1HB GLU 64 14.834 -1.426 10.992 432 HB3 GLU 64 2HB GLU 64 13.957 -0.703 9.651 433 HG2 GLU 64 1HG GLU 64 12.400 -1.490 11.296 434 HG3 GLU 64 2HG GLU 64 12.258 -2.471 9.839 435 H THR 65 H THR 65 12.970 -4.054 8.627 436 HA THR 65 HA THR 65 12.673 -2.995 5.892 437 HB THR 65 HB THR 65 11.829 -5.241 5.228 438 HG1 THR 65 1HG THR 65 11.668 -6.798 6.671 439 HG21 THR 65 1HG2 THR 65 13.909 -5.548 4.495 440 HG22 THR 65 2HG2 THR 65 14.376 -6.172 6.077 441 HG23 THR 65 3HG2 THR 65 14.514 -4.448 5.732 442 H VAL 66 H VAL 66 10.654 -2.463 5.216 443 HA VAL 66 HA VAL 66 8.404 -3.056 7.019 444 HB VAL 66 HB VAL 66 7.482 -0.811 6.564 445 HG11 VAL 66 1HG1 VAL 66 9.901 0.176 7.672 446 HG12 VAL 66 2HG1 VAL 66 8.412 -0.273 8.506 447 HG13 VAL 66 3HG1 VAL 66 9.674 -1.477 8.242 448 HG21 VAL 66 1HG2 VAL 66 8.395 0.669 5.147 449 HG22 VAL 66 2HG2 VAL 66 10.038 0.313 5.678 450 HG23 VAL 66 3HG2 VAL 66 9.252 -0.726 4.490 451 H PHE 67 H PHE 67 6.258 -2.591 5.912 452 HA PHE 67 HA PHE 67 6.399 -3.630 3.166 453 HB2 PHE 67 1HB PHE 67 4.355 -3.893 5.352 454 HB3 PHE 67 2HB PHE 67 3.901 -4.151 3.671 455 HD1 PHE 67 2HD PHE 67 5.174 -5.907 2.350 456 HD2 PHE 67 1HD PHE 67 5.371 -5.583 6.589 457 HE1 PHE 67 2HE PHE 67 5.989 -8.224 2.485 458 HE2 PHE 67 1HE PHE 67 6.188 -7.900 6.731 459 HZ PHE 67 HZ PHE 67 6.497 -9.224 4.678 460 H VAL 68 H VAL 68 5.942 -2.282 1.567 461 HA VAL 68 HA VAL 68 4.178 0.015 2.119 462 HB VAL 68 HB VAL 68 5.422 1.357 0.565 463 HG11 VAL 68 1HG1 VAL 68 7.393 -0.054 2.357 464 HG12 VAL 68 2HG1 VAL 68 7.511 1.592 1.734 465 HG13 VAL 68 3HG1 VAL 68 6.253 1.177 2.898 466 HG21 VAL 68 1HG2 VAL 68 7.503 0.471 -0.493 467 HG22 VAL 68 2HG2 VAL 68 7.032 -1.139 0.050 468 HG23 VAL 68 3HG2 VAL 68 6.017 -0.263 -1.095 469 H CYS 69 H CYS 69 3.508 0.985 -0.180 470 HA CYS 69 HA CYS 69 2.144 -1.218 -1.537 471 HB2 CYS 69 1HB CYS 69 0.629 0.443 -2.402 472 HB3 CYS 69 2HB CYS 69 0.832 0.726 -0.677 473 H ALA 70 H ALA 70 2.164 -1.466 -3.789 474 HA ALA 70 HA ALA 70 4.485 -1.435 -5.138 475 HB1 ALA 70 1HB ALA 70 3.264 -1.539 -7.202 476 HB2 ALA 70 2HB ALA 70 2.349 -2.397 -5.962 477 HB3 ALA 70 3HB ALA 70 1.857 -0.777 -6.459 478 H SER 71 H SER 71 2.142 1.247 -5.224 479 HA SER 71 HA SER 71 3.405 2.976 -6.923 480 HB2 SER 71 1HB SER 71 1.752 3.446 -4.460 481 HB3 SER 71 2HB SER 71 2.440 4.811 -5.340 482 HG SER 71 HG SER 71 0.582 4.547 -6.372 483 H CYS 72 H CYS 72 3.957 2.724 -3.415 484 HA CYS 72 HA CYS 72 6.114 4.607 -3.447 485 HB2 CYS 72 1HB CYS 72 5.225 2.633 -1.334 486 HB3 CYS 72 2HB CYS 72 6.456 3.869 -1.093 487 H ASN 73 H ASN 73 6.014 1.105 -2.761 488 HA ASN 73 HA ASN 73 8.587 0.442 -2.498 489 HB2 ASN 73 1HB ASN 73 6.955 -1.298 -2.521 490 HB3 ASN 73 2HB ASN 73 6.515 -0.955 -4.191 491 HD21 ASN 73 1HD2 ASN 73 7.453 -2.101 -5.733 492 HD22 ASN 73 2HD2 ASN 73 8.842 -3.110 -5.533 493 H GLN 74 H GLN 74 7.062 1.274 -5.575 494 HA GLN 74 HA GLN 74 9.335 0.738 -7.185 495 HB2 GLN 74 1HB GLN 74 6.788 2.268 -7.584 496 HB3 GLN 74 2HB GLN 74 8.070 2.367 -8.783 497 HG2 GLN 74 1HG GLN 74 7.040 -0.282 -7.851 498 HG3 GLN 74 2HG GLN 74 6.200 0.636 -9.101 499 HE21 GLN 74 1HE2 GLN 74 8.308 -1.778 -8.649 500 HE22 GLN 74 2HE2 GLN 74 9.220 -1.676 -10.113 501 H THR 75 H THR 75 8.045 3.700 -5.726 502 HA THR 75 HA THR 75 9.985 5.447 -6.810 503 HB THR 75 HB THR 75 8.348 5.757 -4.285 504 HG1 THR 75 1HG THR 75 7.214 5.525 -6.366 505 HG21 THR 75 1HG2 THR 75 8.954 7.992 -4.205 506 HG22 THR 75 2HG2 THR 75 9.457 8.023 -5.895 507 HG23 THR 75 3HG2 THR 75 10.465 7.225 -4.689 508 H LEU 76 H LEU 76 9.782 3.739 -3.707 509 HA LEU 76 HA LEU 76 12.086 4.824 -2.538 510 HB2 LEU 76 1HB LEU 76 10.874 2.092 -2.142 511 HB3 LEU 76 2HB LEU 76 12.048 2.856 -1.073 512 HG LEU 76 HG LEU 76 9.282 3.936 -1.604 513 HD11 LEU 76 1HD1 LEU 76 10.221 2.491 0.860 514 HD12 LEU 76 2HD1 LEU 76 9.357 1.693 -0.453 515 HD13 LEU 76 3HD1 LEU 76 8.582 2.995 0.448 516 HD21 LEU 76 1HD2 LEU 76 10.383 5.762 -0.823 517 HD22 LEU 76 2HD2 LEU 76 11.612 4.808 0.008 518 HD23 LEU 76 3HD2 LEU 76 10.011 5.000 0.724 519 H SER 77 H SER 77 11.688 1.695 -4.205 520 HA SER 77 HA SER 77 14.209 0.711 -4.144 521 HB2 SER 77 1HB SER 77 12.499 -0.546 -5.247 522 HB3 SER 77 2HB SER 77 12.260 0.717 -6.454 523 HG SER 77 HG SER 77 14.472 0.280 -7.110 524 H LYS 78 H LYS 78 13.050 2.810 -6.788 525 HA LYS 78 HA LYS 78 15.606 3.224 -7.907 526 HB2 LYS 78 1HB LYS 78 14.563 4.940 -9.249 527 HB3 LYS 78 2HB LYS 78 13.468 3.571 -9.119 528 HG2 LYS 78 1HG LYS 78 12.090 4.714 -7.559 529 HG3 LYS 78 2HG LYS 78 13.271 6.013 -7.377 530 HD2 LYS 78 1HD LYS 78 11.664 6.923 -8.803 531 HD3 LYS 78 2HD LYS 78 12.938 6.386 -9.901 532 HE2 LYS 78 1HE LYS 78 11.011 5.605 -10.928 533 HE3 LYS 78 2HE LYS 78 11.572 4.195 -10.032 534 HZ1 LYS 78 1HZ LYS 78 9.110 4.847 -9.888 535 HZ2 LYS 78 2HZ LYS 78 9.630 6.057 -8.828 536 HZ3 LYS 78 3HZ LYS 78 9.913 4.431 -8.458 537 H SER 79 H SER 79 17.143 4.749 -7.581 538 HA SER 79 HA SER 79 16.955 6.300 -5.136 539 HB2 SER 79 1HB SER 79 19.011 4.989 -5.761 540 HB3 SER 79 2HB SER 79 19.276 6.139 -7.070 541 HG SER 79 HG SER 79 20.449 6.728 -5.214 542 H GLY 80 H GLY 80 16.592 8.428 -5.009 543 HA2 GLY 80 1HA GLY 80 17.379 10.437 -6.691 544 HA3 GLY 80 2HA GLY 80 15.862 9.876 -7.377 545 HA PRO 81 HA PRO 81 15.392 12.533 -3.337 546 HB2 PRO 81 1HB PRO 81 16.026 15.057 -4.109 547 HB3 PRO 81 2HB PRO 81 17.195 13.956 -3.370 548 HG2 PRO 81 1HG PRO 81 16.784 14.622 -6.259 549 HG3 PRO 81 2HG PRO 81 18.300 14.448 -5.356 550 HD2 PRO 81 1HD PRO 81 17.321 12.492 -6.953 551 HD3 PRO 81 2HD PRO 81 18.257 12.147 -5.484 552 H SER 82 H SER 82 13.732 14.197 -3.014 553 HA SER 82 HA SER 82 11.641 13.947 -4.975 554 HB2 SER 82 1HB SER 82 10.261 15.159 -3.351 555 HB3 SER 82 2HB SER 82 11.148 13.856 -2.559 556 HG SER 82 HG SER 82 12.175 15.279 -1.401 557 H SER 83 H SER 83 11.149 15.332 -6.541 558 HA SER 83 HA SER 83 12.707 17.738 -6.863 559 HB2 SER 83 1HB SER 83 10.564 16.441 -8.553 560 HB3 SER 83 2HB SER 83 11.357 17.953 -8.994 561 HG SER 83 HG SER 83 13.176 16.903 -9.405 562 H GLY 84 H GLY 84 9.226 16.997 -6.630 563 HA2 GLY 84 1HA GLY 84 8.346 19.666 -6.566 564 HA3 GLY 84 2HA GLY 84 7.448 18.283 -5.959 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.713 34.079 -21.233 2 HA2 GLY 1 1HA GLY 1 5.341 32.022 -19.877 3 HA3 GLY 1 2HA GLY 1 3.978 32.853 -19.141 4 H SER 2 H SER 2 4.780 30.721 -21.872 5 HA SER 2 HA SER 2 2.169 29.870 -22.416 6 HB2 SER 2 1HB SER 2 4.419 29.495 -23.718 7 HB3 SER 2 2HB SER 2 4.491 28.008 -22.773 8 HG SER 2 HG SER 2 2.162 27.836 -23.597 9 H SER 3 H SER 3 0.978 29.300 -20.649 10 HA SER 3 HA SER 3 2.011 27.191 -18.894 11 HB2 SER 3 1HB SER 3 0.068 27.775 -17.443 12 HB3 SER 3 2HB SER 3 1.148 29.138 -17.733 13 HG SER 3 HG SER 3 -0.897 29.888 -18.063 14 H GLY 4 H GLY 4 1.482 25.163 -19.336 15 HA2 GLY 4 1HA GLY 4 -1.246 24.509 -20.107 16 HA3 GLY 4 2HA GLY 4 -0.007 24.115 -21.290 17 H SER 5 H SER 5 -1.004 23.553 -17.941 18 HA SER 5 HA SER 5 0.463 21.000 -18.012 19 HB2 SER 5 1HB SER 5 0.433 21.086 -15.546 20 HB3 SER 5 2HB SER 5 1.223 22.505 -16.232 21 HG SER 5 HG SER 5 -0.656 22.565 -14.501 22 H SER 6 H SER 6 -0.549 19.121 -17.212 23 HA SER 6 HA SER 6 -3.338 18.961 -17.815 24 HB2 SER 6 1HB SER 6 -3.121 16.607 -17.434 25 HB3 SER 6 2HB SER 6 -1.637 17.134 -18.228 26 HG SER 6 HG SER 6 -0.609 17.116 -16.220 27 H GLY 7 H GLY 7 -1.417 18.731 -14.840 28 HA2 GLY 7 1HA GLY 7 -2.022 19.187 -12.662 29 HA3 GLY 7 2HA GLY 7 -3.571 19.759 -13.264 30 H ARG 8 H ARG 8 -2.473 17.772 -11.096 31 HA ARG 8 HA ARG 8 -4.756 16.016 -11.259 32 HB2 ARG 8 1HB ARG 8 -1.952 15.019 -11.632 33 HB3 ARG 8 2HB ARG 8 -3.154 13.999 -10.854 34 HG2 ARG 8 1HG ARG 8 -4.600 14.369 -12.892 35 HG3 ARG 8 2HG ARG 8 -3.177 15.083 -13.654 36 HD2 ARG 8 1HD ARG 8 -2.008 12.880 -12.917 37 HD3 ARG 8 2HD ARG 8 -3.653 12.258 -12.795 38 HE ARG 8 HE ARG 8 -2.205 12.894 -15.209 39 HH11 ARG 8 2HH1 ARG 8 -5.322 12.344 -13.759 40 HH12 ARG 8 1HH1 ARG 8 -6.088 11.923 -15.255 41 HH21 ARG 8 2HH2 ARG 8 -3.202 12.342 -17.184 42 HH22 ARG 8 1HH2 ARG 8 -4.882 11.921 -17.202 43 H TYR 9 H TYR 9 -4.790 14.509 -9.308 44 HA TYR 9 HA TYR 9 -3.328 15.592 -7.017 45 HB2 TYR 9 1HB TYR 9 -6.329 15.475 -7.278 46 HB3 TYR 9 2HB TYR 9 -5.526 15.542 -5.714 47 HD1 TYR 9 2HD TYR 9 -5.612 17.351 -8.981 48 HD2 TYR 9 1HD TYR 9 -5.120 17.612 -4.763 49 HE1 TYR 9 2HE TYR 9 -5.500 19.802 -9.152 50 HE2 TYR 9 1HE TYR 9 -5.008 20.064 -4.922 51 HH TYR 9 HH TYR 9 -5.924 21.839 -6.662 52 HA PRO 10 HA PRO 10 -2.975 11.313 -6.020 53 HB2 PRO 10 1HB PRO 10 -2.247 11.568 -3.418 54 HB3 PRO 10 2HB PRO 10 -1.152 11.920 -4.760 55 HG2 PRO 10 1HG PRO 10 -2.770 13.806 -3.091 56 HG3 PRO 10 2HG PRO 10 -1.091 13.958 -3.643 57 HD2 PRO 10 1HD PRO 10 -3.146 15.239 -4.856 58 HD3 PRO 10 2HD PRO 10 -1.715 14.675 -5.743 59 H THR 11 H THR 11 -5.283 13.413 -4.677 60 HA THR 11 HA THR 11 -6.447 11.878 -2.661 61 HB THR 11 HB THR 11 -8.519 13.144 -3.087 62 HG1 THR 11 1HG THR 11 -8.844 14.107 -4.954 63 HG21 THR 11 1HG2 THR 11 -7.476 14.683 -1.853 64 HG22 THR 11 2HG2 THR 11 -6.955 15.454 -3.351 65 HG23 THR 11 3HG2 THR 11 -5.917 14.266 -2.564 66 H ASN 12 H ASN 12 -7.314 9.920 -2.739 67 HA ASN 12 HA ASN 12 -8.662 9.076 -5.220 68 HB2 ASN 12 1HB ASN 12 -6.673 7.775 -5.067 69 HB3 ASN 12 2HB ASN 12 -6.911 7.484 -3.347 70 HD21 ASN 12 1HD2 ASN 12 -8.921 7.147 -6.255 71 HD22 ASN 12 2HD2 ASN 12 -9.384 5.511 -5.950 72 H ASN 13 H ASN 13 -10.372 7.468 -4.923 73 HA ASN 13 HA ASN 13 -12.128 8.218 -2.803 74 HB2 ASN 13 1HB ASN 13 -12.842 7.550 -5.127 75 HB3 ASN 13 2HB ASN 13 -12.449 5.887 -4.700 76 HD21 ASN 13 1HD2 ASN 13 -14.584 8.573 -4.110 77 HD22 ASN 13 2HD2 ASN 13 -15.824 7.669 -3.316 78 H PHE 14 H PHE 14 -11.742 7.574 -0.783 79 HA PHE 14 HA PHE 14 -10.250 5.360 0.005 80 HB2 PHE 14 1HB PHE 14 -11.013 5.785 2.220 81 HB3 PHE 14 2HB PHE 14 -10.921 7.352 1.421 82 HD1 PHE 14 2HD PHE 14 -13.107 8.258 0.397 83 HD2 PHE 14 1HD PHE 14 -12.957 5.140 3.292 84 HE1 PHE 14 2HE PHE 14 -15.456 8.694 0.985 85 HE2 PHE 14 1HE PHE 14 -15.306 5.572 3.883 86 HZ PHE 14 HZ PHE 14 -16.558 7.351 2.730 87 H GLY 15 H GLY 15 -11.411 3.723 1.668 88 HA2 GLY 15 1HA GLY 15 -13.030 2.070 1.995 89 HA3 GLY 15 2HA GLY 15 -13.897 2.673 0.591 90 H ASN 16 H ASN 16 -11.515 2.595 -1.119 91 HA ASN 16 HA ASN 16 -11.200 -0.323 -1.376 92 HB2 ASN 16 1HB ASN 16 -11.238 1.461 -3.787 93 HB3 ASN 16 2HB ASN 16 -11.590 -0.260 -3.672 94 HD21 ASN 16 1HD2 ASN 16 -13.443 -0.449 -1.768 95 HD22 ASN 16 2HD2 ASN 16 -14.867 0.433 -2.193 96 H CYS 17 H CYS 17 -9.232 -1.066 -2.252 97 HA CYS 17 HA CYS 17 -6.912 -0.040 -1.361 98 HB2 CYS 17 1HB CYS 17 -7.044 -2.217 -2.453 99 HB3 CYS 17 2HB CYS 17 -7.302 -1.443 -4.013 100 H THR 18 H THR 18 -5.278 1.328 -2.076 101 HA THR 18 HA THR 18 -6.176 3.403 -3.938 102 HB THR 18 HB THR 18 -3.743 3.519 -2.157 103 HG1 THR 18 1HG THR 18 -5.633 3.208 -0.882 104 HG21 THR 18 1HG2 THR 18 -3.533 5.269 -3.640 105 HG22 THR 18 2HG2 THR 18 -4.477 6.034 -2.362 106 HG23 THR 18 3HG2 THR 18 -5.276 5.462 -3.826 107 H GLY 19 H GLY 19 -5.100 0.749 -4.761 108 HA2 GLY 19 1HA GLY 19 -2.931 1.783 -6.470 109 HA3 GLY 19 2HA GLY 19 -2.764 0.231 -5.663 110 H CYS 20 H CYS 20 -5.193 -0.927 -6.005 111 HA CYS 20 HA CYS 20 -5.378 -1.150 -8.936 112 HB2 CYS 20 1HB CYS 20 -6.150 -3.467 -8.551 113 HB3 CYS 20 2HB CYS 20 -4.538 -3.187 -7.901 114 H SER 21 H SER 21 -7.055 -0.325 -6.095 115 HA SER 21 HA SER 21 -9.151 0.539 -5.800 116 HB2 SER 21 1HB SER 21 -8.810 1.232 -8.284 117 HB3 SER 21 2HB SER 21 -9.885 -0.119 -8.640 118 HG SER 21 HG SER 21 -10.932 1.966 -8.343 119 H ALA 22 H ALA 22 -8.492 -2.182 -5.296 120 HA ALA 22 HA ALA 22 -10.879 -3.688 -6.055 121 HB1 ALA 22 1HB ALA 22 -8.830 -4.889 -6.313 122 HB2 ALA 22 2HB ALA 22 -8.340 -4.514 -4.661 123 HB3 ALA 22 3HB ALA 22 -9.703 -5.594 -4.952 124 H THR 23 H THR 23 -12.608 -3.357 -4.818 125 HA THR 23 HA THR 23 -12.613 -2.299 -2.232 126 HB THR 23 HB THR 23 -14.771 -4.090 -3.348 127 HG1 THR 23 1HG THR 23 -14.377 -2.530 -4.905 128 HG21 THR 23 1HG2 THR 23 -14.517 -2.299 -1.050 129 HG22 THR 23 2HG2 THR 23 -15.678 -3.591 -1.356 130 HG23 THR 23 3HG2 THR 23 -15.945 -1.986 -2.035 131 H PHE 24 H PHE 24 -13.022 -3.246 -0.199 132 HA PHE 24 HA PHE 24 -12.094 -6.028 0.001 133 HB2 PHE 24 1HB PHE 24 -12.222 -4.164 2.344 134 HB3 PHE 24 2HB PHE 24 -11.146 -5.529 2.066 135 HD1 PHE 24 2HD PHE 24 -11.838 -2.027 1.153 136 HD2 PHE 24 1HD PHE 24 -9.071 -5.256 0.962 137 HE1 PHE 24 2HE PHE 24 -10.099 -0.485 0.347 138 HE2 PHE 24 1HE PHE 24 -7.327 -3.719 0.157 139 HZ PHE 24 HZ PHE 24 -7.840 -1.330 -0.153 140 H SER 25 H SER 25 -13.334 -7.567 0.913 141 HA SER 25 HA SER 25 -15.844 -6.739 2.206 142 HB2 SER 25 1HB SER 25 -16.100 -7.563 -0.210 143 HB3 SER 25 2HB SER 25 -15.664 -9.155 0.410 144 HG SER 25 HG SER 25 -18.026 -7.866 0.544 145 H VAL 26 H VAL 26 -14.152 -9.796 1.493 146 HA VAL 26 HA VAL 26 -14.105 -10.352 4.383 147 HB VAL 26 HB VAL 26 -14.819 -12.327 2.211 148 HG11 VAL 26 1HG1 VAL 26 -15.332 -13.654 4.467 149 HG12 VAL 26 2HG1 VAL 26 -13.766 -13.725 3.658 150 HG13 VAL 26 3HG1 VAL 26 -13.998 -12.651 5.038 151 HG21 VAL 26 1HG2 VAL 26 -16.428 -10.512 3.596 152 HG22 VAL 26 2HG2 VAL 26 -16.960 -11.893 2.636 153 HG23 VAL 26 3HG2 VAL 26 -16.706 -12.071 4.373 154 H LEU 27 H LEU 27 -12.993 -11.999 1.423 155 HA LEU 27 HA LEU 27 -10.651 -13.031 2.492 156 HB2 LEU 27 1HB LEU 27 -11.547 -12.377 -0.278 157 HB3 LEU 27 2HB LEU 27 -9.880 -12.881 -0.004 158 HG LEU 27 HG LEU 27 -10.890 -14.943 1.135 159 HD11 LEU 27 1HD1 LEU 27 -13.105 -14.800 1.427 160 HD12 LEU 27 2HD1 LEU 27 -13.198 -15.274 -0.268 161 HD13 LEU 27 3HD1 LEU 27 -13.292 -13.570 0.177 162 HD21 LEU 27 1HD2 LEU 27 -9.857 -15.475 -0.825 163 HD22 LEU 27 2HD2 LEU 27 -10.789 -14.308 -1.764 164 HD23 LEU 27 3HD2 LEU 27 -11.523 -15.837 -1.277 165 H LYS 28 H LYS 28 -10.751 -10.303 0.197 166 HA LYS 28 HA LYS 28 -8.139 -9.429 0.721 167 HB2 LYS 28 1HB LYS 28 -9.880 -8.827 -1.183 168 HB3 LYS 28 2HB LYS 28 -10.225 -7.467 -0.122 169 HG2 LYS 28 1HG LYS 28 -8.194 -6.496 -0.471 170 HG3 LYS 28 2HG LYS 28 -7.386 -8.036 -0.777 171 HD2 LYS 28 1HD LYS 28 -9.411 -6.879 -2.676 172 HD3 LYS 28 2HD LYS 28 -7.695 -6.474 -2.767 173 HE2 LYS 28 1HE LYS 28 -7.168 -8.867 -3.000 174 HE3 LYS 28 2HE LYS 28 -8.891 -9.238 -2.961 175 HZ1 LYS 28 1HZ LYS 28 -7.902 -9.120 -5.224 176 HZ2 LYS 28 2HZ LYS 28 -7.641 -7.467 -4.985 177 HZ3 LYS 28 3HZ LYS 28 -9.217 -8.081 -4.993 178 H LYS 29 H LYS 29 -7.271 -8.273 2.317 179 HA LYS 29 HA LYS 29 -9.093 -6.984 4.240 180 HB2 LYS 29 1HB LYS 29 -6.298 -8.031 4.726 181 HB3 LYS 29 2HB LYS 29 -7.368 -7.332 5.934 182 HG2 LYS 29 1HG LYS 29 -8.803 -9.177 5.900 183 HG3 LYS 29 2HG LYS 29 -8.147 -9.770 4.372 184 HD2 LYS 29 1HD LYS 29 -5.932 -10.013 5.660 185 HD3 LYS 29 2HD LYS 29 -6.925 -9.865 7.112 186 HE2 LYS 29 1HE LYS 29 -7.655 -11.830 4.978 187 HE3 LYS 29 2HE LYS 29 -6.394 -12.220 6.147 188 HZ1 LYS 29 1HZ LYS 29 -7.875 -12.302 7.858 189 HZ2 LYS 29 2HZ LYS 29 -8.887 -12.811 6.602 190 HZ3 LYS 29 3HZ LYS 29 -8.956 -11.211 7.149 191 H ARG 30 H ARG 30 -8.940 -4.852 4.540 192 HA ARG 30 HA ARG 30 -7.268 -3.268 2.892 193 HB2 ARG 30 1HB ARG 30 -9.556 -2.675 3.900 194 HB3 ARG 30 2HB ARG 30 -8.668 -2.271 5.363 195 HG2 ARG 30 1HG ARG 30 -7.688 -0.427 4.428 196 HG3 ARG 30 2HG ARG 30 -7.799 -1.066 2.787 197 HD2 ARG 30 1HD ARG 30 -10.034 -0.476 2.574 198 HD3 ARG 30 2HD ARG 30 -10.278 -0.390 4.318 199 HE ARG 30 HE ARG 30 -9.149 1.671 2.604 200 HH11 ARG 30 2HH1 ARG 30 -9.824 0.549 5.829 201 HH12 ARG 30 1HH1 ARG 30 -9.671 2.118 6.548 202 HH21 ARG 30 2HH2 ARG 30 -8.945 3.742 3.538 203 HH22 ARG 30 1HH2 ARG 30 -9.172 3.934 5.243 204 H ARG 31 H ARG 31 -5.114 -3.439 3.202 205 HA ARG 31 HA ARG 31 -3.993 -3.462 5.875 206 HB2 ARG 31 1HB ARG 31 -2.881 -3.769 3.108 207 HB3 ARG 31 2HB ARG 31 -1.801 -3.421 4.451 208 HG2 ARG 31 1HG ARG 31 -2.155 -5.461 5.445 209 HG3 ARG 31 2HG ARG 31 -3.734 -5.675 4.687 210 HD2 ARG 31 1HD ARG 31 -2.395 -7.186 3.541 211 HD3 ARG 31 2HD ARG 31 -2.407 -5.780 2.478 212 HE ARG 31 HE ARG 31 -0.154 -5.653 2.756 213 HH11 ARG 31 2HH1 ARG 31 -1.502 -7.322 5.498 214 HH12 ARG 31 1HH1 ARG 31 0.038 -7.649 6.221 215 HH21 ARG 31 2HH2 ARG 31 1.880 -6.078 3.698 216 HH22 ARG 31 1HH2 ARG 31 1.961 -6.940 5.196 217 H SER 32 H SER 32 -1.766 -2.054 5.850 218 HA SER 32 HA SER 32 -2.418 0.670 4.983 219 HB2 SER 32 1HB SER 32 -1.588 -0.103 7.790 220 HB3 SER 32 2HB SER 32 -1.711 1.552 7.196 221 HG SER 32 HG SER 32 -3.663 -0.112 8.070 222 H CYS 33 H CYS 33 -0.767 1.540 3.932 223 HA CYS 33 HA CYS 33 1.710 0.267 3.610 224 HB2 CYS 33 1HB CYS 33 0.665 1.921 2.028 225 HB3 CYS 33 2HB CYS 33 1.140 3.198 3.143 226 H SER 34 H SER 34 3.853 1.284 4.088 227 HA SER 34 HA SER 34 3.877 2.206 6.877 228 HB2 SER 34 1HB SER 34 5.820 0.639 5.208 229 HB3 SER 34 2HB SER 34 6.386 1.518 6.628 230 HG SER 34 HG SER 34 4.346 0.298 7.532 231 H ASN 35 H ASN 35 4.795 3.049 3.642 232 HA ASN 35 HA ASN 35 6.426 5.294 4.527 233 HB2 ASN 35 1HB ASN 35 7.244 4.058 2.612 234 HB3 ASN 35 2HB ASN 35 5.715 4.283 1.766 235 HD21 ASN 35 1HD2 ASN 35 6.217 5.506 0.078 236 HD22 ASN 35 2HD2 ASN 35 7.034 7.027 0.150 237 H CYS 36 H CYS 36 3.946 5.137 1.984 238 HA CYS 36 HA CYS 36 3.169 7.838 2.364 239 HB2 CYS 36 1HB CYS 36 1.567 7.465 0.656 240 HB3 CYS 36 2HB CYS 36 2.952 6.462 0.236 241 H GLY 37 H GLY 37 2.027 4.791 3.635 242 HA2 GLY 37 1HA GLY 37 0.635 4.379 5.427 243 HA3 GLY 37 2HA GLY 37 0.540 6.115 5.690 244 H ASN 38 H ASN 38 -0.344 4.319 2.773 245 HA ASN 38 HA ASN 38 -3.065 5.392 3.050 246 HB2 ASN 38 1HB ASN 38 -1.698 4.317 0.573 247 HB3 ASN 38 2HB ASN 38 -3.273 5.102 0.639 248 HD21 ASN 38 1HD2 ASN 38 -1.167 5.948 -0.989 249 HD22 ASN 38 2HD2 ASN 38 -0.660 7.512 -0.458 250 H SER 39 H SER 39 -4.683 3.900 1.738 251 HA SER 39 HA SER 39 -4.575 1.316 3.083 252 HB2 SER 39 1HB SER 39 -6.842 2.492 1.461 253 HB3 SER 39 2HB SER 39 -6.928 1.131 2.579 254 HG SER 39 HG SER 39 -6.860 2.470 4.249 255 H PHE 40 H PHE 40 -4.241 -0.574 2.087 256 HA PHE 40 HA PHE 40 -4.560 -0.782 -0.804 257 HB2 PHE 40 1HB PHE 40 -1.962 -1.392 0.621 258 HB3 PHE 40 2HB PHE 40 -2.312 -1.814 -1.052 259 HD1 PHE 40 1HD PHE 40 -2.830 0.078 -2.670 260 HD2 PHE 40 2HD PHE 40 -1.095 0.697 1.167 261 HE1 PHE 40 1HE PHE 40 -2.017 2.283 -3.398 262 HE2 PHE 40 2HE PHE 40 -0.280 2.903 0.446 263 HZ PHE 40 HZ PHE 40 -0.741 3.700 -1.838 264 H CYS 41 H CYS 41 -4.238 -3.082 -1.542 265 HA CYS 41 HA CYS 41 -5.651 -4.827 0.287 266 HB2 CYS 41 1HB CYS 41 -5.766 -6.368 -1.641 267 HB3 CYS 41 2HB CYS 41 -6.360 -4.760 -2.042 268 H SER 42 H SER 42 -4.843 -7.301 -0.137 269 HA SER 42 HA SER 42 -2.274 -7.388 1.193 270 HB2 SER 42 1HB SER 42 -4.180 -8.817 1.924 271 HB3 SER 42 2HB SER 42 -4.085 -9.677 0.388 272 HG SER 42 HG SER 42 -2.024 -9.499 2.333 273 H ARG 43 H ARG 43 -2.871 -6.876 -1.848 274 HA ARG 43 HA ARG 43 -0.807 -8.735 -2.835 275 HB2 ARG 43 1HB ARG 43 -3.338 -7.756 -4.070 276 HB3 ARG 43 2HB ARG 43 -1.960 -8.037 -5.124 277 HG2 ARG 43 1HG ARG 43 -3.201 -10.026 -5.158 278 HG3 ARG 43 2HG ARG 43 -1.824 -10.349 -4.103 279 HD2 ARG 43 1HD ARG 43 -3.207 -9.982 -2.144 280 HD3 ARG 43 2HD ARG 43 -4.581 -9.563 -3.167 281 HE ARG 43 HE ARG 43 -4.939 -11.797 -3.556 282 HH11 ARG 43 2HH1 ARG 43 -1.819 -11.358 -2.077 283 HH12 ARG 43 1HH1 ARG 43 -1.564 -13.051 -1.807 284 HH21 ARG 43 2HH2 ARG 43 -4.615 -14.028 -3.207 285 HH22 ARG 43 1HH2 ARG 43 -3.155 -14.568 -2.451 286 H CYS 44 H CYS 44 -1.917 -5.453 -2.604 287 HA CYS 44 HA CYS 44 0.163 -4.458 -4.379 288 HB2 CYS 44 1HB CYS 44 -2.083 -3.147 -2.857 289 HB3 CYS 44 2HB CYS 44 -0.826 -2.202 -3.648 290 H CYS 45 H CYS 45 -0.606 -4.592 -0.953 291 HA CYS 45 HA CYS 45 1.815 -3.094 -0.293 292 HB2 CYS 45 1HB CYS 45 -0.329 -2.573 0.871 293 HB3 CYS 45 2HB CYS 45 -0.307 -4.191 1.561 294 HG CYS 45 HG CYS 45 2.549 -3.155 2.393 295 H SER 46 H SER 46 2.350 -5.509 -1.497 296 HA SER 46 HA SER 46 3.286 -7.175 0.748 297 HB2 SER 46 1HB SER 46 1.601 -8.076 -1.086 298 HB3 SER 46 2HB SER 46 3.082 -8.284 -2.021 299 HG SER 46 HG SER 46 3.563 -9.938 -0.826 300 H PHE 47 H PHE 47 4.686 -4.891 -0.191 301 HA PHE 47 HA PHE 47 7.070 -6.178 -1.347 302 HB2 PHE 47 1HB PHE 47 6.024 -3.386 -1.849 303 HB3 PHE 47 2HB PHE 47 7.611 -3.951 -2.361 304 HD1 PHE 47 1HD PHE 47 4.005 -4.196 -2.918 305 HD2 PHE 47 2HD PHE 47 7.853 -5.488 -4.199 306 HE1 PHE 47 1HE PHE 47 3.017 -5.066 -4.997 307 HE2 PHE 47 2HE PHE 47 6.871 -6.359 -6.280 308 HZ PHE 47 HZ PHE 47 4.450 -6.149 -6.682 309 H LYS 48 H LYS 48 8.864 -6.040 -0.165 310 HA LYS 48 HA LYS 48 8.802 -4.532 2.312 311 HB2 LYS 48 1HB LYS 48 10.692 -6.563 1.146 312 HB3 LYS 48 2HB LYS 48 11.102 -5.652 2.593 313 HG2 LYS 48 1HG LYS 48 9.067 -6.520 3.680 314 HG3 LYS 48 2HG LYS 48 8.744 -7.491 2.242 315 HD2 LYS 48 1HD LYS 48 9.832 -9.012 3.594 316 HD3 LYS 48 2HD LYS 48 11.169 -8.371 2.637 317 HE2 LYS 48 1HE LYS 48 11.779 -8.495 4.987 318 HE3 LYS 48 2HE LYS 48 11.714 -6.817 4.450 319 HZ1 LYS 48 1HZ LYS 48 9.209 -7.722 5.486 320 HZ2 LYS 48 2HZ LYS 48 10.121 -6.363 5.912 321 HZ3 LYS 48 3HZ LYS 48 10.449 -7.859 6.630 322 H VAL 49 H VAL 49 10.501 -3.092 2.960 323 HA VAL 49 HA VAL 49 12.346 -2.085 0.989 324 HB VAL 49 HB VAL 49 11.531 0.219 0.994 325 HG11 VAL 49 1HG1 VAL 49 10.826 -1.340 -0.785 326 HG12 VAL 49 2HG1 VAL 49 9.368 -1.702 0.140 327 HG13 VAL 49 3HG1 VAL 49 9.638 -0.073 -0.481 328 HG21 VAL 49 1HG2 VAL 49 9.970 0.981 2.388 329 HG22 VAL 49 2HG2 VAL 49 8.848 -0.306 1.948 330 HG23 VAL 49 3HG2 VAL 49 10.055 -0.580 3.205 331 HA PRO 50 HA PRO 50 14.641 -1.080 4.597 332 HB2 PRO 50 1HB PRO 50 16.203 0.932 3.656 333 HB3 PRO 50 2HB PRO 50 16.442 -0.760 3.206 334 HG2 PRO 50 1HG PRO 50 15.057 1.423 1.698 335 HG3 PRO 50 2HG PRO 50 16.177 0.186 1.099 336 HD2 PRO 50 1HD PRO 50 13.493 -0.017 0.809 337 HD3 PRO 50 2HD PRO 50 14.541 -1.435 1.014 338 H LYS 51 H LYS 51 13.758 -0.105 6.304 339 HA LYS 51 HA LYS 51 12.192 2.264 6.129 340 HB2 LYS 51 1HB LYS 51 11.474 1.061 7.922 341 HB3 LYS 51 2HB LYS 51 13.074 0.417 8.267 342 HG2 LYS 51 1HG LYS 51 13.698 2.632 9.205 343 HG3 LYS 51 2HG LYS 51 12.024 3.146 8.983 344 HD2 LYS 51 1HD LYS 51 12.807 0.719 10.586 345 HD3 LYS 51 2HD LYS 51 12.623 2.326 11.293 346 HE2 LYS 51 1HE LYS 51 10.295 2.192 10.020 347 HE3 LYS 51 2HE LYS 51 10.570 0.463 10.226 348 HZ1 LYS 51 1HZ LYS 51 11.097 1.906 12.626 349 HZ2 LYS 51 2HZ LYS 51 10.055 0.599 12.367 350 HZ3 LYS 51 3HZ LYS 51 9.517 2.177 12.084 351 H SER 52 H SER 52 15.538 1.696 6.399 352 HA SER 52 HA SER 52 16.141 4.217 7.695 353 HB2 SER 52 1HB SER 52 17.474 1.969 7.847 354 HB3 SER 52 2HB SER 52 18.201 2.511 6.334 355 HG SER 52 HG SER 52 19.133 4.171 7.352 356 H SER 53 H SER 53 14.662 4.359 5.234 357 HA SER 53 HA SER 53 16.571 5.938 3.650 358 HB2 SER 53 1HB SER 53 14.602 3.885 2.667 359 HB3 SER 53 2HB SER 53 15.150 5.194 1.621 360 HG SER 53 HG SER 53 16.815 3.309 2.939 361 H MET 54 H MET 54 13.106 5.241 4.110 362 HA MET 54 HA MET 54 12.452 7.984 3.367 363 HB2 MET 54 1HB MET 54 10.288 7.274 3.012 364 HB3 MET 54 2HB MET 54 11.181 5.800 2.663 365 HG2 MET 54 1HG MET 54 9.939 6.419 5.330 366 HG3 MET 54 2HG MET 54 9.146 5.489 4.061 367 HE1 MET 54 1HE MET 54 9.275 2.998 3.910 368 HE2 MET 54 2HE MET 54 10.648 3.394 2.876 369 HE3 MET 54 3HE MET 54 10.789 2.109 4.077 370 H GLY 55 H GLY 55 11.591 9.493 4.741 371 HA2 GLY 55 1HA GLY 55 10.784 10.387 6.732 372 HA3 GLY 55 2HA GLY 55 10.861 8.786 7.451 373 H ALA 56 H ALA 56 11.647 10.418 9.196 374 HA ALA 56 HA ALA 56 14.572 10.699 8.967 375 HB1 ALA 56 1HB ALA 56 14.302 12.800 9.620 376 HB2 ALA 56 2HB ALA 56 12.564 12.552 9.791 377 HB3 ALA 56 3HB ALA 56 13.640 12.222 11.149 378 H THR 57 H THR 57 13.329 8.244 9.691 379 HA THR 57 HA THR 57 12.950 7.648 12.317 380 HB THR 57 HB THR 57 12.795 5.950 10.574 381 HG1 THR 57 1HG THR 57 13.137 4.545 12.110 382 HG21 THR 57 1HG2 THR 57 15.033 4.842 9.913 383 HG22 THR 57 2HG2 THR 57 15.761 6.372 10.401 384 HG23 THR 57 3HG2 THR 57 14.567 6.337 9.104 385 H ALA 58 H ALA 58 14.355 6.723 13.962 386 HA ALA 58 HA ALA 58 16.602 8.367 14.489 387 HB1 ALA 58 1HB ALA 58 15.979 7.720 16.524 388 HB2 ALA 58 2HB ALA 58 15.074 6.347 15.885 389 HB3 ALA 58 3HB ALA 58 16.802 6.194 16.203 390 HA PRO 59 HA PRO 59 20.031 6.167 12.859 391 HB2 PRO 59 1HB PRO 59 21.829 6.172 14.893 392 HB3 PRO 59 2HB PRO 59 21.414 7.624 13.974 393 HG2 PRO 59 1HG PRO 59 20.418 6.728 16.651 394 HG3 PRO 59 2HG PRO 59 20.910 8.349 16.125 395 HD2 PRO 59 1HD PRO 59 18.314 7.598 16.295 396 HD3 PRO 59 2HD PRO 59 18.895 8.760 15.085 397 H GLU 60 H GLU 60 18.175 4.820 15.271 398 HA GLU 60 HA GLU 60 19.791 2.463 15.726 399 HB2 GLU 60 1HB GLU 60 17.947 1.701 17.119 400 HB3 GLU 60 2HB GLU 60 18.365 3.362 17.517 401 HG2 GLU 60 1HG GLU 60 16.469 4.170 16.236 402 HG3 GLU 60 2HG GLU 60 16.064 2.519 15.769 403 H ALA 61 H ALA 61 16.843 3.317 13.966 404 HA ALA 61 HA ALA 61 16.483 0.637 12.960 405 HB1 ALA 61 1HB ALA 61 15.027 3.210 12.747 406 HB2 ALA 61 2HB ALA 61 14.792 2.032 11.455 407 HB3 ALA 61 3HB ALA 61 14.429 1.593 13.124 408 H GLN 62 H GLN 62 18.668 0.507 12.018 409 HA GLN 62 HA GLN 62 18.972 1.988 9.506 410 HB2 GLN 62 1HB GLN 62 20.902 0.453 11.231 411 HB3 GLN 62 2HB GLN 62 21.305 0.914 9.583 412 HG2 GLN 62 1HG GLN 62 21.043 3.250 10.130 413 HG3 GLN 62 2HG GLN 62 20.515 2.836 11.760 414 HE21 GLN 62 1HE2 GLN 62 22.198 4.068 12.640 415 HE22 GLN 62 2HE2 GLN 62 23.830 3.501 12.645 416 H ARG 63 H ARG 63 19.385 -1.337 10.732 417 HA ARG 63 HA ARG 63 19.081 -2.363 8.017 418 HB2 ARG 63 1HB ARG 63 19.738 -4.521 8.971 419 HB3 ARG 63 2HB ARG 63 20.898 -3.265 9.383 420 HG2 ARG 63 1HG ARG 63 19.645 -3.052 11.586 421 HG3 ARG 63 2HG ARG 63 18.858 -4.570 11.149 422 HD2 ARG 63 1HD ARG 63 20.806 -5.786 11.325 423 HD3 ARG 63 2HD ARG 63 21.831 -4.384 11.023 424 HE ARG 63 HE ARG 63 20.350 -4.315 13.506 425 HH11 ARG 63 2HH1 ARG 63 23.315 -5.192 11.906 426 HH12 ARG 63 1HH1 ARG 63 24.256 -5.180 13.360 427 HH21 ARG 63 2HH2 ARG 63 21.578 -4.296 15.428 428 HH22 ARG 63 1HH2 ARG 63 23.267 -4.670 15.363 429 H GLU 64 H GLU 64 16.781 -1.176 9.103 430 HA GLU 64 HA GLU 64 15.066 -3.424 9.867 431 HB2 GLU 64 1HB GLU 64 14.903 -0.468 10.151 432 HB3 GLU 64 2HB GLU 64 13.389 -1.347 9.983 433 HG2 GLU 64 1HG GLU 64 13.876 -1.052 12.308 434 HG3 GLU 64 2HG GLU 64 14.033 -2.759 11.899 435 H THR 65 H THR 65 13.081 -3.824 8.775 436 HA THR 65 HA THR 65 12.918 -2.728 6.049 437 HB THR 65 HB THR 65 12.133 -5.027 5.314 438 HG1 THR 65 1HG THR 65 13.565 -6.034 7.523 439 HG21 THR 65 1HG2 THR 65 14.270 -5.658 4.695 440 HG22 THR 65 2HG2 THR 65 14.969 -5.193 6.246 441 HG23 THR 65 3HG2 THR 65 14.505 -3.954 5.080 442 H VAL 66 H VAL 66 10.986 -1.905 5.604 443 HA VAL 66 HA VAL 66 8.670 -2.835 7.175 444 HB VAL 66 HB VAL 66 7.691 -0.585 6.846 445 HG11 VAL 66 1HG1 VAL 66 8.582 -0.694 8.942 446 HG12 VAL 66 2HG1 VAL 66 10.209 -1.042 8.354 447 HG13 VAL 66 3HG1 VAL 66 9.575 0.602 8.276 448 HG21 VAL 66 1HG2 VAL 66 9.761 1.092 6.295 449 HG22 VAL 66 2HG2 VAL 66 10.108 -0.259 5.216 450 HG23 VAL 66 3HG2 VAL 66 8.554 0.568 5.121 451 H PHE 67 H PHE 67 6.654 -2.971 6.120 452 HA PHE 67 HA PHE 67 6.880 -3.591 3.292 453 HB2 PHE 67 1HB PHE 67 4.697 -4.003 5.332 454 HB3 PHE 67 2HB PHE 67 4.466 -4.347 3.621 455 HD1 PHE 67 1HD PHE 67 6.642 -5.182 6.514 456 HD2 PHE 67 2HD PHE 67 5.073 -6.410 2.753 457 HE1 PHE 67 1HE PHE 67 7.622 -7.415 6.839 458 HE2 PHE 67 2HE PHE 67 6.050 -8.646 3.072 459 HZ PHE 67 HZ PHE 67 7.325 -9.151 5.117 460 H VAL 68 H VAL 68 5.996 -2.457 1.653 461 HA VAL 68 HA VAL 68 4.276 -0.165 2.315 462 HB VAL 68 HB VAL 68 5.422 1.219 0.663 463 HG11 VAL 68 1HG1 VAL 68 6.197 1.558 2.857 464 HG12 VAL 68 2HG1 VAL 68 7.104 0.044 2.860 465 HG13 VAL 68 3HG1 VAL 68 7.653 1.401 1.875 466 HG21 VAL 68 1HG2 VAL 68 7.492 -0.959 0.460 467 HG22 VAL 68 2HG2 VAL 68 6.208 -0.722 -0.725 468 HG23 VAL 68 3HG2 VAL 68 7.409 0.542 -0.461 469 H CYS 69 H CYS 69 3.549 0.824 0.025 470 HA CYS 69 HA CYS 69 2.194 -1.390 -1.309 471 HB2 CYS 69 1HB CYS 69 0.677 0.254 -2.182 472 HB3 CYS 69 2HB CYS 69 0.918 0.602 -0.473 473 H ALA 70 H ALA 70 2.352 -1.834 -3.477 474 HA ALA 70 HA ALA 70 4.646 -1.751 -4.836 475 HB1 ALA 70 1HB ALA 70 2.497 -1.148 -6.692 476 HB2 ALA 70 2HB ALA 70 3.460 -2.616 -6.512 477 HB3 ALA 70 3HB ALA 70 2.036 -2.365 -5.501 478 H SER 71 H SER 71 2.180 0.807 -5.139 479 HA SER 71 HA SER 71 3.405 2.493 -6.900 480 HB2 SER 71 1HB SER 71 1.616 2.965 -4.552 481 HB3 SER 71 2HB SER 71 2.340 4.359 -5.355 482 HG SER 71 HG SER 71 0.943 4.115 -6.891 483 H CYS 72 H CYS 72 3.958 2.350 -3.396 484 HA CYS 72 HA CYS 72 5.962 4.395 -3.436 485 HB2 CYS 72 1HB CYS 72 5.134 2.385 -1.339 486 HB3 CYS 72 2HB CYS 72 6.396 3.586 -1.078 487 H ASN 73 H ASN 73 6.169 0.917 -2.658 488 HA ASN 73 HA ASN 73 8.816 0.518 -2.477 489 HB2 ASN 73 1HB ASN 73 7.252 -1.326 -2.309 490 HB3 ASN 73 2HB ASN 73 6.869 -1.205 -4.023 491 HD21 ASN 73 1HD2 ASN 73 8.280 -2.022 -5.530 492 HD22 ASN 73 2HD2 ASN 73 9.620 -3.029 -5.110 493 H GLN 74 H GLN 74 7.057 1.060 -5.483 494 HA GLN 74 HA GLN 74 9.233 0.559 -7.225 495 HB2 GLN 74 1HB GLN 74 6.612 1.993 -7.508 496 HB3 GLN 74 2HB GLN 74 7.800 2.045 -8.804 497 HG2 GLN 74 1HG GLN 74 7.800 -0.479 -8.730 498 HG3 GLN 74 2HG GLN 74 6.387 -0.353 -7.684 499 HE21 GLN 74 1HE2 GLN 74 4.631 -0.794 -8.795 500 HE22 GLN 74 2HE2 GLN 74 4.270 -0.249 -10.394 501 H THR 75 H THR 75 7.937 3.523 -5.779 502 HA THR 75 HA THR 75 9.785 5.263 -7.069 503 HB THR 75 HB THR 75 8.117 5.693 -4.583 504 HG1 THR 75 1HG THR 75 6.774 5.479 -6.329 505 HG21 THR 75 1HG2 THR 75 8.529 8.071 -4.910 506 HG22 THR 75 2HG2 THR 75 9.562 7.719 -6.296 507 HG23 THR 75 3HG2 THR 75 10.053 7.214 -4.680 508 H LEU 76 H LEU 76 9.608 3.921 -3.777 509 HA LEU 76 HA LEU 76 11.869 5.120 -2.711 510 HB2 LEU 76 1HB LEU 76 10.776 2.364 -2.167 511 HB3 LEU 76 2HB LEU 76 11.945 3.208 -1.154 512 HG LEU 76 HG LEU 76 9.190 4.290 -1.696 513 HD11 LEU 76 1HD1 LEU 76 9.720 3.050 0.911 514 HD12 LEU 76 2HD1 LEU 76 9.583 1.924 -0.439 515 HD13 LEU 76 3HD1 LEU 76 8.262 3.036 -0.082 516 HD21 LEU 76 1HD2 LEU 76 10.283 6.052 -0.792 517 HD22 LEU 76 2HD2 LEU 76 11.506 5.041 -0.021 518 HD23 LEU 76 3HD2 LEU 76 9.911 5.211 0.713 519 H SER 77 H SER 77 11.609 2.020 -4.431 520 HA SER 77 HA SER 77 14.498 1.711 -4.427 521 HB2 SER 77 1HB SER 77 14.059 -0.443 -5.518 522 HB3 SER 77 2HB SER 77 13.066 -0.263 -4.073 523 HG SER 77 HG SER 77 11.464 -0.667 -5.362 524 H LYS 78 H LYS 78 14.106 3.971 -5.705 525 HA LYS 78 HA LYS 78 14.576 3.280 -8.522 526 HB2 LYS 78 1HB LYS 78 12.243 4.345 -7.897 527 HB3 LYS 78 2HB LYS 78 13.174 5.837 -7.864 528 HG2 LYS 78 1HG LYS 78 13.602 5.782 -10.121 529 HG3 LYS 78 2HG LYS 78 13.387 4.033 -10.228 530 HD2 LYS 78 1HD LYS 78 11.485 4.919 -11.269 531 HD3 LYS 78 2HD LYS 78 10.934 4.485 -9.649 532 HE2 LYS 78 1HE LYS 78 10.045 6.630 -10.100 533 HE3 LYS 78 2HE LYS 78 11.389 6.876 -8.986 534 HZ1 LYS 78 1HZ LYS 78 11.144 7.625 -11.799 535 HZ2 LYS 78 2HZ LYS 78 12.677 7.163 -11.252 536 HZ3 LYS 78 3HZ LYS 78 11.872 8.458 -10.518 537 H SER 79 H SER 79 16.016 4.638 -9.632 538 HA SER 79 HA SER 79 17.888 6.018 -7.884 539 HB2 SER 79 1HB SER 79 17.982 5.043 -10.723 540 HB3 SER 79 2HB SER 79 19.164 6.219 -10.151 541 HG SER 79 HG SER 79 19.838 4.011 -9.909 542 H GLY 80 H GLY 80 17.427 8.073 -7.423 543 HA2 GLY 80 1HA GLY 80 17.597 10.167 -9.172 544 HA3 GLY 80 2HA GLY 80 15.892 9.740 -9.188 545 HA PRO 81 HA PRO 81 15.337 12.397 -5.734 546 HB2 PRO 81 1HB PRO 81 13.021 11.371 -4.759 547 HB3 PRO 81 2HB PRO 81 13.096 12.338 -6.236 548 HG2 PRO 81 1HG PRO 81 12.970 9.364 -5.925 549 HG3 PRO 81 2HG PRO 81 12.103 10.407 -7.067 550 HD2 PRO 81 1HD PRO 81 14.303 8.992 -7.767 551 HD3 PRO 81 2HD PRO 81 13.911 10.566 -8.488 552 H SER 82 H SER 82 16.846 12.081 -4.175 553 HA SER 82 HA SER 82 16.933 9.630 -2.642 554 HB2 SER 82 1HB SER 82 19.034 10.714 -3.232 555 HB3 SER 82 2HB SER 82 18.534 12.189 -2.406 556 HG SER 82 HG SER 82 19.056 9.656 -1.241 557 H SER 83 H SER 83 16.471 13.080 -1.865 558 HA SER 83 HA SER 83 14.843 12.240 0.442 559 HB2 SER 83 1HB SER 83 16.875 14.474 0.297 560 HB3 SER 83 2HB SER 83 15.693 14.322 1.597 561 HG SER 83 HG SER 83 18.034 13.051 1.293 562 H GLY 84 H GLY 84 12.918 13.244 0.708 563 HA2 GLY 84 1HA GLY 84 12.226 15.294 -1.298 564 HA3 GLY 84 2HA GLY 84 11.083 14.166 -0.585 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.182 42.597 5.555 2 HA2 GLY 1 1HA GLY 1 -0.636 43.144 4.264 3 HA3 GLY 1 2HA GLY 1 0.345 42.639 2.896 4 H SER 2 H SER 2 -0.937 41.413 1.670 5 HA SER 2 HA SER 2 -2.591 39.367 2.984 6 HB2 SER 2 1HB SER 2 -3.657 41.115 1.446 7 HB3 SER 2 2HB SER 2 -2.859 40.273 0.118 8 HG SER 2 HG SER 2 -4.892 39.406 0.341 9 H SER 3 H SER 3 -1.327 37.599 3.172 10 HA SER 3 HA SER 3 0.590 36.804 1.225 11 HB2 SER 3 1HB SER 3 -0.617 35.416 3.617 12 HB3 SER 3 2HB SER 3 0.564 34.628 2.571 13 HG SER 3 HG SER 3 1.147 37.175 3.575 14 H GLY 4 H GLY 4 -2.422 35.184 2.264 15 HA2 GLY 4 1HA GLY 4 -3.966 33.975 1.064 16 HA3 GLY 4 2HA GLY 4 -3.334 34.741 -0.386 17 H SER 5 H SER 5 -2.937 32.046 1.836 18 HA SER 5 HA SER 5 -2.105 30.330 -0.305 19 HB2 SER 5 1HB SER 5 0.084 29.741 0.545 20 HB3 SER 5 2HB SER 5 0.030 31.485 0.292 21 HG SER 5 HG SER 5 -0.528 30.301 2.799 22 H SER 6 H SER 6 -3.094 28.472 0.074 23 HA SER 6 HA SER 6 -3.817 27.781 2.828 24 HB2 SER 6 1HB SER 6 -5.553 26.445 1.940 25 HB3 SER 6 2HB SER 6 -5.531 27.881 0.917 26 HG SER 6 HG SER 6 -5.030 26.670 -0.720 27 H GLY 7 H GLY 7 -3.798 25.403 3.359 28 HA2 GLY 7 1HA GLY 7 -2.019 23.664 1.966 29 HA3 GLY 7 2HA GLY 7 -1.226 24.394 3.355 30 H ARG 8 H ARG 8 -3.185 21.873 2.285 31 HA ARG 8 HA ARG 8 -3.487 20.910 5.017 32 HB2 ARG 8 1HB ARG 8 -5.741 21.621 3.205 33 HB3 ARG 8 2HB ARG 8 -5.904 20.165 4.178 34 HG2 ARG 8 1HG ARG 8 -5.258 21.669 6.160 35 HG3 ARG 8 2HG ARG 8 -5.643 23.007 5.075 36 HD2 ARG 8 1HD ARG 8 -7.567 20.747 5.501 37 HD3 ARG 8 2HD ARG 8 -7.491 22.101 6.627 38 HE ARG 8 HE ARG 8 -7.731 23.003 3.944 39 HH11 ARG 8 2HH1 ARG 8 -9.541 21.638 6.585 40 HH12 ARG 8 1HH1 ARG 8 -11.050 22.320 6.075 41 HH21 ARG 8 2HH2 ARG 8 -9.711 23.907 3.262 42 HH22 ARG 8 1HH2 ARG 8 -11.146 23.610 4.184 43 H TYR 9 H TYR 9 -4.179 18.605 5.065 44 HA TYR 9 HA TYR 9 -2.757 17.147 3.007 45 HB2 TYR 9 1HB TYR 9 -4.117 16.219 5.544 46 HB3 TYR 9 2HB TYR 9 -3.195 15.176 4.467 47 HD1 TYR 9 1HD TYR 9 -0.734 15.628 4.153 48 HD2 TYR 9 2HD TYR 9 -3.038 17.535 7.179 49 HE1 TYR 9 1HE TYR 9 1.333 16.206 5.354 50 HE2 TYR 9 2HE TYR 9 -0.978 18.119 8.388 51 HH TYR 9 HH TYR 9 2.183 16.991 7.284 52 HA PRO 10 HA PRO 10 -6.319 16.091 0.633 53 HB2 PRO 10 1HB PRO 10 -5.289 13.954 -0.688 54 HB3 PRO 10 2HB PRO 10 -4.848 15.623 -1.069 55 HG2 PRO 10 1HG PRO 10 -3.377 13.605 0.581 56 HG3 PRO 10 2HG PRO 10 -2.743 14.738 -0.626 57 HD2 PRO 10 1HD PRO 10 -2.573 15.201 2.036 58 HD3 PRO 10 2HD PRO 10 -2.748 16.509 0.849 59 H THR 11 H THR 11 -5.317 14.485 3.292 60 HA THR 11 HA THR 11 -6.057 11.937 3.404 61 HB THR 11 HB THR 11 -5.535 13.260 5.414 62 HG1 THR 11 1HG THR 11 -6.404 11.607 6.391 63 HG21 THR 11 1HG2 THR 11 -7.626 14.327 6.524 64 HG22 THR 11 2HG2 THR 11 -8.256 14.394 4.878 65 HG23 THR 11 3HG2 THR 11 -6.758 15.232 5.284 66 H ASN 12 H ASN 12 -7.883 10.658 3.410 67 HA ASN 12 HA ASN 12 -10.532 11.610 3.413 68 HB2 ASN 12 1HB ASN 12 -9.608 12.384 1.116 69 HB3 ASN 12 2HB ASN 12 -9.722 10.684 0.668 70 HD21 ASN 12 1HD2 ASN 12 -11.876 9.666 1.117 71 HD22 ASN 12 2HD2 ASN 12 -13.278 10.613 0.765 72 H ASN 13 H ASN 13 -12.069 9.930 3.318 73 HA ASN 13 HA ASN 13 -11.236 7.455 4.290 74 HB2 ASN 13 1HB ASN 13 -13.833 8.131 2.890 75 HB3 ASN 13 2HB ASN 13 -13.551 6.711 3.893 76 HD21 ASN 13 1HD2 ASN 13 -15.450 8.950 4.159 77 HD22 ASN 13 2HD2 ASN 13 -15.171 9.604 5.734 78 H PHE 14 H PHE 14 -10.722 5.538 3.383 79 HA PHE 14 HA PHE 14 -10.806 5.369 0.442 80 HB2 PHE 14 1HB PHE 14 -8.645 4.618 2.381 81 HB3 PHE 14 2HB PHE 14 -8.777 3.768 0.845 82 HD1 PHE 14 2HD PHE 14 -8.539 5.026 -1.281 83 HD2 PHE 14 1HD PHE 14 -7.764 6.806 2.507 84 HE1 PHE 14 2HE PHE 14 -7.292 6.833 -2.390 85 HE2 PHE 14 1HE PHE 14 -6.517 8.618 1.404 86 HZ PHE 14 HZ PHE 14 -6.278 8.632 -1.047 87 H GLY 15 H GLY 15 -12.516 4.077 0.058 88 HA2 GLY 15 1HA GLY 15 -13.136 1.835 1.767 89 HA3 GLY 15 2HA GLY 15 -13.996 2.308 0.310 90 H ASN 16 H ASN 16 -11.582 2.322 -1.338 91 HA ASN 16 HA ASN 16 -11.065 -0.577 -1.452 92 HB2 ASN 16 1HB ASN 16 -11.088 1.125 -3.922 93 HB3 ASN 16 2HB ASN 16 -11.333 -0.612 -3.768 94 HD21 ASN 16 1HD2 ASN 16 -13.253 -0.791 -1.875 95 HD22 ASN 16 2HD2 ASN 16 -14.711 -0.047 -2.427 96 H CYS 17 H CYS 17 -9.029 -1.218 -2.345 97 HA CYS 17 HA CYS 17 -6.809 -0.013 -1.339 98 HB2 CYS 17 1HB CYS 17 -6.694 -2.237 -2.262 99 HB3 CYS 17 2HB CYS 17 -7.050 -1.636 -3.878 100 H THR 18 H THR 18 -5.132 1.298 -2.185 101 HA THR 18 HA THR 18 -6.112 3.315 -4.064 102 HB THR 18 HB THR 18 -3.540 3.506 -2.515 103 HG1 THR 18 1HG THR 18 -5.034 4.758 -1.022 104 HG21 THR 18 1HG2 THR 18 -5.409 5.422 -3.865 105 HG22 THR 18 2HG2 THR 18 -3.664 5.253 -4.049 106 HG23 THR 18 3HG2 THR 18 -4.331 5.971 -2.584 107 H GLY 19 H GLY 19 -5.135 0.648 -4.911 108 HA2 GLY 19 1HA GLY 19 -3.095 1.620 -6.795 109 HA3 GLY 19 2HA GLY 19 -2.817 0.122 -5.920 110 H CYS 20 H CYS 20 -4.997 -1.304 -6.039 111 HA CYS 20 HA CYS 20 -5.527 -1.584 -8.919 112 HB2 CYS 20 1HB CYS 20 -6.062 -3.953 -8.386 113 HB3 CYS 20 2HB CYS 20 -4.404 -3.515 -7.988 114 H SER 21 H SER 21 -6.929 -0.370 -6.236 115 HA SER 21 HA SER 21 -9.054 0.213 -5.670 116 HB2 SER 21 1HB SER 21 -9.490 -0.571 -8.551 117 HB3 SER 21 2HB SER 21 -10.798 0.033 -7.534 118 HG SER 21 HG SER 21 -10.034 1.857 -8.361 119 H ALA 22 H ALA 22 -8.051 -2.507 -5.221 120 HA ALA 22 HA ALA 22 -10.253 -4.312 -5.586 121 HB1 ALA 22 1HB ALA 22 -8.302 -5.496 -5.529 122 HB2 ALA 22 2HB ALA 22 -7.573 -4.452 -4.307 123 HB3 ALA 22 3HB ALA 22 -8.788 -5.643 -3.840 124 H THR 23 H THR 23 -12.088 -3.934 -4.510 125 HA THR 23 HA THR 23 -12.309 -2.553 -2.074 126 HB THR 23 HB THR 23 -14.293 -4.567 -3.142 127 HG1 THR 23 1HG THR 23 -13.440 -2.604 -4.497 128 HG21 THR 23 1HG2 THR 23 -15.498 -3.950 -1.371 129 HG22 THR 23 2HG2 THR 23 -15.545 -2.312 -2.023 130 HG23 THR 23 3HG2 THR 23 -14.271 -2.776 -0.895 131 H PHE 24 H PHE 24 -12.686 -3.257 0.032 132 HA PHE 24 HA PHE 24 -11.701 -5.966 0.593 133 HB2 PHE 24 1HB PHE 24 -11.969 -3.754 2.619 134 HB3 PHE 24 2HB PHE 24 -10.952 -5.189 2.694 135 HD1 PHE 24 2HD PHE 24 -11.430 -2.050 0.759 136 HD2 PHE 24 1HD PHE 24 -8.726 -5.058 2.083 137 HE1 PHE 24 2HE PHE 24 -9.549 -0.758 -0.159 138 HE2 PHE 24 1HE PHE 24 -6.840 -3.770 1.168 139 HZ PHE 24 HZ PHE 24 -7.250 -1.618 0.044 140 H SER 25 H SER 25 -13.232 -7.416 0.966 141 HA SER 25 HA SER 25 -15.682 -6.552 2.359 142 HB2 SER 25 1HB SER 25 -15.309 -8.854 0.426 143 HB3 SER 25 2HB SER 25 -16.814 -8.450 1.252 144 HG SER 25 HG SER 25 -15.511 -6.484 -0.266 145 H VAL 26 H VAL 26 -14.261 -9.751 1.753 146 HA VAL 26 HA VAL 26 -14.049 -10.152 4.659 147 HB VAL 26 HB VAL 26 -14.823 -12.516 4.306 148 HG11 VAL 26 1HG1 VAL 26 -16.916 -10.468 3.604 149 HG12 VAL 26 2HG1 VAL 26 -17.135 -11.981 4.486 150 HG13 VAL 26 3HG1 VAL 26 -16.237 -10.653 5.221 151 HG21 VAL 26 1HG2 VAL 26 -16.083 -11.564 1.763 152 HG22 VAL 26 2HG2 VAL 26 -14.468 -12.273 1.753 153 HG23 VAL 26 3HG2 VAL 26 -15.840 -13.214 2.339 154 H LEU 27 H LEU 27 -12.950 -10.903 1.435 155 HA LEU 27 HA LEU 27 -10.891 -12.717 2.350 156 HB2 LEU 27 1HB LEU 27 -11.870 -11.725 -0.266 157 HB3 LEU 27 2HB LEU 27 -10.195 -12.268 -0.183 158 HG LEU 27 HG LEU 27 -11.233 -14.419 0.862 159 HD11 LEU 27 1HD1 LEU 27 -13.470 -13.912 1.163 160 HD12 LEU 27 2HD1 LEU 27 -13.482 -14.806 -0.356 161 HD13 LEU 27 3HD1 LEU 27 -13.587 -13.046 -0.370 162 HD21 LEU 27 1HD2 LEU 27 -10.909 -15.414 -1.147 163 HD22 LEU 27 2HD2 LEU 27 -10.224 -13.837 -1.540 164 HD23 LEU 27 3HD2 LEU 27 -11.877 -14.225 -2.019 165 H LYS 28 H LYS 28 -10.738 -9.733 0.400 166 HA LYS 28 HA LYS 28 -8.008 -9.264 1.021 167 HB2 LYS 28 1HB LYS 28 -9.584 -8.389 -0.941 168 HB3 LYS 28 2HB LYS 28 -9.762 -7.019 0.148 169 HG2 LYS 28 1HG LYS 28 -8.006 -6.467 -1.315 170 HG3 LYS 28 2HG LYS 28 -7.241 -6.903 0.215 171 HD2 LYS 28 1HD LYS 28 -5.930 -8.092 -1.235 172 HD3 LYS 28 2HD LYS 28 -7.176 -9.296 -0.899 173 HE2 LYS 28 1HE LYS 28 -7.557 -7.398 -3.169 174 HE3 LYS 28 2HE LYS 28 -6.451 -8.758 -3.364 175 HZ1 LYS 28 1HZ LYS 28 -8.469 -10.085 -2.422 176 HZ2 LYS 28 2HZ LYS 28 -8.408 -9.675 -4.061 177 HZ3 LYS 28 3HZ LYS 28 -9.362 -8.769 -2.998 178 H LYS 29 H LYS 29 -7.080 -8.161 2.638 179 HA LYS 29 HA LYS 29 -8.850 -6.953 4.645 180 HB2 LYS 29 1HB LYS 29 -6.086 -8.129 4.787 181 HB3 LYS 29 2HB LYS 29 -6.694 -7.080 6.061 182 HG2 LYS 29 1HG LYS 29 -8.267 -8.608 6.757 183 HG3 LYS 29 2HG LYS 29 -8.314 -9.430 5.195 184 HD2 LYS 29 1HD LYS 29 -6.429 -10.665 5.636 185 HD3 LYS 29 2HD LYS 29 -5.776 -9.468 6.757 186 HE2 LYS 29 1HE LYS 29 -6.411 -11.202 8.161 187 HE3 LYS 29 2HE LYS 29 -7.788 -10.105 8.245 188 HZ1 LYS 29 1HZ LYS 29 -8.928 -11.977 7.815 189 HZ2 LYS 29 2HZ LYS 29 -7.609 -12.769 7.112 190 HZ3 LYS 29 3HZ LYS 29 -8.508 -11.658 6.207 191 H ARG 30 H ARG 30 -8.672 -4.851 5.242 192 HA ARG 30 HA ARG 30 -7.458 -3.022 3.469 193 HB2 ARG 30 1HB ARG 30 -9.448 -2.765 5.194 194 HB3 ARG 30 2HB ARG 30 -8.161 -2.208 6.254 195 HG2 ARG 30 1HG ARG 30 -8.757 -0.216 5.367 196 HG3 ARG 30 2HG ARG 30 -7.595 -0.710 4.134 197 HD2 ARG 30 1HD ARG 30 -9.743 0.154 3.219 198 HD3 ARG 30 2HD ARG 30 -9.348 -1.485 2.701 199 HE ARG 30 HE ARG 30 -11.174 -2.269 3.863 200 HH11 ARG 30 2HH1 ARG 30 -10.574 1.055 4.707 201 HH12 ARG 30 1HH1 ARG 30 -12.069 1.244 5.561 202 HH21 ARG 30 2HH2 ARG 30 -13.146 -2.032 4.984 203 HH22 ARG 30 1HH2 ARG 30 -13.531 -0.513 5.719 204 H ARG 31 H ARG 31 -5.261 -3.425 3.307 205 HA ARG 31 HA ARG 31 -3.610 -3.373 5.694 206 HB2 ARG 31 1HB ARG 31 -3.197 -4.016 2.821 207 HB3 ARG 31 2HB ARG 31 -1.804 -3.428 3.719 208 HG2 ARG 31 1HG ARG 31 -1.782 -5.260 5.139 209 HG3 ARG 31 2HG ARG 31 -3.462 -5.672 4.791 210 HD2 ARG 31 1HD ARG 31 -2.932 -6.595 2.717 211 HD3 ARG 31 2HD ARG 31 -1.376 -5.768 2.643 212 HE ARG 31 HE ARG 31 -0.446 -7.510 3.793 213 HH11 ARG 31 2HH1 ARG 31 -3.904 -7.623 4.178 214 HH12 ARG 31 1HH1 ARG 31 -3.895 -9.153 4.991 215 HH21 ARG 31 2HH2 ARG 31 -0.420 -9.524 4.863 216 HH22 ARG 31 1HH2 ARG 31 -1.912 -10.233 5.381 217 H SER 32 H SER 32 -2.056 -1.816 6.166 218 HA SER 32 HA SER 32 -2.458 0.764 4.805 219 HB2 SER 32 1HB SER 32 -1.741 0.102 7.660 220 HB3 SER 32 2HB SER 32 -1.522 1.717 6.987 221 HG SER 32 HG SER 32 -3.597 1.198 8.096 222 H CYS 33 H CYS 33 -0.754 1.838 3.966 223 HA CYS 33 HA CYS 33 1.668 0.428 3.505 224 HB2 CYS 33 1HB CYS 33 0.656 2.090 1.931 225 HB3 CYS 33 2HB CYS 33 1.122 3.367 3.050 226 H SER 34 H SER 34 3.841 1.378 3.954 227 HA SER 34 HA SER 34 3.945 2.251 6.753 228 HB2 SER 34 1HB SER 34 5.148 0.163 6.142 229 HB3 SER 34 2HB SER 34 6.155 1.096 5.034 230 HG SER 34 HG SER 34 6.057 2.141 7.563 231 H ASN 35 H ASN 35 4.918 3.135 3.514 232 HA ASN 35 HA ASN 35 6.511 5.378 4.421 233 HB2 ASN 35 1HB ASN 35 7.279 4.241 2.443 234 HB3 ASN 35 2HB ASN 35 5.710 4.430 1.664 235 HD21 ASN 35 1HD2 ASN 35 6.127 5.685 -0.028 236 HD22 ASN 35 2HD2 ASN 35 6.888 7.234 0.042 237 H CYS 36 H CYS 36 3.941 5.317 1.966 238 HA CYS 36 HA CYS 36 3.193 8.003 2.433 239 HB2 CYS 36 1HB CYS 36 1.442 7.634 0.847 240 HB3 CYS 36 2HB CYS 36 2.838 6.711 0.299 241 H GLY 37 H GLY 37 1.988 4.927 3.633 242 HA2 GLY 37 1HA GLY 37 0.751 4.526 5.552 243 HA3 GLY 37 2HA GLY 37 0.655 6.262 5.812 244 H ASN 38 H ASN 38 -0.341 4.529 2.905 245 HA ASN 38 HA ASN 38 -3.083 5.478 3.390 246 HB2 ASN 38 1HB ASN 38 -1.928 4.620 0.736 247 HB3 ASN 38 2HB ASN 38 -3.411 5.525 1.025 248 HD21 ASN 38 1HD2 ASN 38 -1.363 6.333 -0.710 249 HD22 ASN 38 2HD2 ASN 38 -0.678 7.794 -0.093 250 H SER 39 H SER 39 -4.703 4.028 2.040 251 HA SER 39 HA SER 39 -4.499 1.389 3.214 252 HB2 SER 39 1HB SER 39 -6.730 2.466 1.482 253 HB3 SER 39 2HB SER 39 -6.804 1.115 2.614 254 HG SER 39 HG SER 39 -7.699 3.015 3.508 255 H PHE 40 H PHE 40 -4.469 -0.555 2.106 256 HA PHE 40 HA PHE 40 -4.467 -0.637 -0.771 257 HB2 PHE 40 1HB PHE 40 -1.917 -1.126 0.774 258 HB3 PHE 40 2HB PHE 40 -2.165 -1.662 -0.884 259 HD1 PHE 40 1HD PHE 40 -2.619 0.074 -2.656 260 HD2 PHE 40 2HD PHE 40 -1.243 1.061 1.249 261 HE1 PHE 40 1HE PHE 40 -1.872 2.269 -3.478 262 HE2 PHE 40 2HE PHE 40 -0.495 3.258 0.434 263 HZ PHE 40 HZ PHE 40 -0.809 3.865 -1.932 264 H CYS 41 H CYS 41 -3.989 -2.916 -1.551 265 HA CYS 41 HA CYS 41 -5.427 -4.759 0.174 266 HB2 CYS 41 1HB CYS 41 -5.495 -6.217 -1.801 267 HB3 CYS 41 2HB CYS 41 -6.073 -4.599 -2.183 268 H SER 42 H SER 42 -4.544 -7.187 -0.302 269 HA SER 42 HA SER 42 -2.008 -7.257 1.078 270 HB2 SER 42 1HB SER 42 -3.892 -8.783 1.670 271 HB3 SER 42 2HB SER 42 -3.703 -9.568 0.102 272 HG SER 42 HG SER 42 -2.480 -10.776 1.423 273 H ARG 43 H ARG 43 -2.686 -6.778 -2.025 274 HA ARG 43 HA ARG 43 -0.505 -8.485 -3.024 275 HB2 ARG 43 1HB ARG 43 -2.948 -8.484 -4.019 276 HB3 ARG 43 2HB ARG 43 -2.378 -7.046 -4.855 277 HG2 ARG 43 1HG ARG 43 -0.352 -8.656 -5.442 278 HG3 ARG 43 2HG ARG 43 -1.600 -9.881 -5.204 279 HD2 ARG 43 1HD ARG 43 -2.875 -9.115 -6.969 280 HD3 ARG 43 2HD ARG 43 -2.182 -7.495 -6.901 281 HE ARG 43 HE ARG 43 -0.368 -9.617 -7.684 282 HH11 ARG 43 2HH1 ARG 43 -2.538 -7.091 -8.697 283 HH12 ARG 43 1HH1 ARG 43 -1.846 -6.952 -10.279 284 HH21 ARG 43 2HH2 ARG 43 0.552 -9.444 -9.764 285 HH22 ARG 43 1HH2 ARG 43 -0.089 -8.291 -10.885 286 H CYS 44 H CYS 44 -1.617 -5.225 -2.607 287 HA CYS 44 HA CYS 44 0.559 -4.143 -4.226 288 HB2 CYS 44 1HB CYS 44 -1.787 -2.869 -2.819 289 HB3 CYS 44 2HB CYS 44 -0.506 -1.926 -3.574 290 H CYS 45 H CYS 45 -0.508 -4.353 -0.879 291 HA CYS 45 HA CYS 45 1.810 -2.840 0.034 292 HB2 CYS 45 1HB CYS 45 -0.428 -2.454 1.054 293 HB3 CYS 45 2HB CYS 45 -0.406 -4.108 1.655 294 HG CYS 45 HG CYS 45 2.319 -3.108 2.810 295 H SER 46 H SER 46 2.492 -5.203 -1.244 296 HA SER 46 HA SER 46 3.439 -6.857 1.005 297 HB2 SER 46 1HB SER 46 1.732 -7.826 -0.769 298 HB3 SER 46 2HB SER 46 3.190 -8.013 -1.743 299 HG SER 46 HG SER 46 3.419 -8.884 0.861 300 H PHE 47 H PHE 47 4.788 -4.573 0.021 301 HA PHE 47 HA PHE 47 7.096 -5.785 -1.352 302 HB2 PHE 47 1HB PHE 47 6.030 -2.965 -1.371 303 HB3 PHE 47 2HB PHE 47 7.665 -3.349 -1.902 304 HD1 PHE 47 2HD PHE 47 8.027 -4.725 -3.902 305 HD2 PHE 47 1HD PHE 47 4.131 -3.496 -2.707 306 HE1 PHE 47 2HE PHE 47 7.169 -5.279 -6.141 307 HE2 PHE 47 1HE PHE 47 3.267 -4.049 -4.944 308 HZ PHE 47 HZ PHE 47 4.787 -4.940 -6.664 309 H LYS 48 H LYS 48 8.643 -6.282 0.048 310 HA LYS 48 HA LYS 48 8.902 -4.971 2.587 311 HB2 LYS 48 1HB LYS 48 10.304 -7.201 1.179 312 HB3 LYS 48 2HB LYS 48 11.106 -6.432 2.542 313 HG2 LYS 48 1HG LYS 48 8.942 -6.868 3.829 314 HG3 LYS 48 2HG LYS 48 8.529 -7.959 2.505 315 HD2 LYS 48 1HD LYS 48 10.162 -9.463 3.053 316 HD3 LYS 48 2HD LYS 48 11.216 -8.230 3.750 317 HE2 LYS 48 1HE LYS 48 9.820 -8.092 5.714 318 HE3 LYS 48 2HE LYS 48 8.652 -9.205 5.005 319 HZ1 LYS 48 1HZ LYS 48 11.457 -10.028 5.393 320 HZ2 LYS 48 2HZ LYS 48 10.073 -10.992 5.264 321 HZ3 LYS 48 3HZ LYS 48 10.357 -10.105 6.677 322 H VAL 49 H VAL 49 10.085 -3.240 3.062 323 HA VAL 49 HA VAL 49 12.484 -2.618 1.547 324 HB VAL 49 HB VAL 49 11.798 -0.282 1.123 325 HG11 VAL 49 1HG1 VAL 49 9.824 -2.137 -0.177 326 HG12 VAL 49 2HG1 VAL 49 10.621 -0.721 -0.864 327 HG13 VAL 49 3HG1 VAL 49 11.547 -2.188 -0.548 328 HG21 VAL 49 1HG2 VAL 49 9.896 0.603 1.881 329 HG22 VAL 49 2HG2 VAL 49 8.939 -0.757 1.294 330 HG23 VAL 49 3HG2 VAL 49 9.729 -0.850 2.868 331 HA PRO 50 HA PRO 50 13.889 -1.199 5.460 332 HB2 PRO 50 1HB PRO 50 15.767 0.604 4.689 333 HB3 PRO 50 2HB PRO 50 15.993 -1.143 4.538 334 HG2 PRO 50 1HG PRO 50 15.171 0.849 2.459 335 HG3 PRO 50 2HG PRO 50 16.316 -0.499 2.327 336 HD2 PRO 50 1HD PRO 50 13.776 -0.649 1.400 337 HD3 PRO 50 2HD PRO 50 14.643 -2.058 2.045 338 H LYS 51 H LYS 51 12.962 0.144 6.861 339 HA LYS 51 HA LYS 51 11.551 2.485 5.964 340 HB2 LYS 51 1HB LYS 51 11.020 2.737 8.413 341 HB3 LYS 51 2HB LYS 51 10.510 1.216 7.692 342 HG2 LYS 51 1HG LYS 51 12.076 -0.012 8.838 343 HG3 LYS 51 2HG LYS 51 13.158 1.367 9.050 344 HD2 LYS 51 1HD LYS 51 12.248 0.953 11.183 345 HD3 LYS 51 2HD LYS 51 11.362 2.348 10.561 346 HE2 LYS 51 1HE LYS 51 9.704 0.971 11.465 347 HE3 LYS 51 2HE LYS 51 9.638 0.646 9.734 348 HZ1 LYS 51 1HZ LYS 51 11.285 -1.245 10.362 349 HZ2 LYS 51 2HZ LYS 51 9.624 -1.459 10.599 350 HZ3 LYS 51 3HZ LYS 51 10.621 -1.066 11.908 351 H SER 52 H SER 52 14.494 1.805 7.775 352 HA SER 52 HA SER 52 15.052 4.378 8.702 353 HB2 SER 52 1HB SER 52 16.356 2.591 9.568 354 HB3 SER 52 2HB SER 52 16.853 2.072 7.958 355 HG SER 52 HG SER 52 17.909 4.010 9.581 356 H SER 53 H SER 53 15.912 2.817 5.638 357 HA SER 53 HA SER 53 17.568 4.692 4.522 358 HB2 SER 53 1HB SER 53 15.529 2.835 3.352 359 HB3 SER 53 2HB SER 53 16.338 3.998 2.302 360 HG SER 53 HG SER 53 17.603 2.208 2.275 361 H MET 54 H MET 54 14.011 4.655 4.309 362 HA MET 54 HA MET 54 13.601 6.924 2.819 363 HB2 MET 54 1HB MET 54 11.992 5.893 5.159 364 HB3 MET 54 2HB MET 54 11.435 7.147 4.059 365 HG2 MET 54 1HG MET 54 11.724 5.505 2.190 366 HG3 MET 54 2HG MET 54 12.023 4.273 3.414 367 HE1 MET 54 1HE MET 54 8.701 3.309 4.756 368 HE2 MET 54 2HE MET 54 10.379 2.898 4.400 369 HE3 MET 54 3HE MET 54 10.010 4.133 5.604 370 H GLY 55 H GLY 55 14.188 6.696 6.307 371 HA2 GLY 55 1HA GLY 55 15.549 9.096 6.546 372 HA3 GLY 55 2HA GLY 55 13.854 9.474 6.820 373 H ALA 56 H ALA 56 16.659 7.792 8.034 374 HA ALA 56 HA ALA 56 15.896 6.287 10.093 375 HB1 ALA 56 1HB ALA 56 17.780 7.814 11.374 376 HB2 ALA 56 2HB ALA 56 18.114 6.456 10.299 377 HB3 ALA 56 3HB ALA 56 18.137 8.104 9.671 378 H THR 57 H THR 57 14.232 6.504 11.436 379 HA THR 57 HA THR 57 13.970 9.020 12.936 380 HB THR 57 HB THR 57 12.236 9.019 11.202 381 HG1 THR 57 1HG THR 57 11.721 8.970 13.908 382 HG21 THR 57 1HG2 THR 57 10.500 6.990 12.187 383 HG22 THR 57 2HG2 THR 57 12.067 6.256 11.844 384 HG23 THR 57 3HG2 THR 57 11.212 7.142 10.581 385 H ALA 58 H ALA 58 15.273 6.645 13.768 386 HA ALA 58 HA ALA 58 14.081 6.260 16.292 387 HB1 ALA 58 1HB ALA 58 12.621 4.633 15.922 388 HB2 ALA 58 2HB ALA 58 13.090 4.544 14.223 389 HB3 ALA 58 3HB ALA 58 13.957 3.591 15.429 390 HA PRO 59 HA PRO 59 18.238 5.055 17.089 391 HB2 PRO 59 1HB PRO 59 17.902 3.890 19.518 392 HB3 PRO 59 2HB PRO 59 17.832 5.639 19.274 393 HG2 PRO 59 1HG PRO 59 15.590 3.671 19.521 394 HG3 PRO 59 2HG PRO 59 15.749 5.282 20.243 395 HD2 PRO 59 1HD PRO 59 14.257 4.818 18.032 396 HD3 PRO 59 2HD PRO 59 15.107 6.352 18.305 397 H GLU 60 H GLU 60 15.704 2.841 16.632 398 HA GLU 60 HA GLU 60 17.573 0.566 16.684 399 HB2 GLU 60 1HB GLU 60 15.597 -0.879 16.872 400 HB3 GLU 60 2HB GLU 60 15.679 0.278 18.193 401 HG2 GLU 60 1HG GLU 60 14.086 1.714 16.844 402 HG3 GLU 60 2HG GLU 60 13.851 0.302 15.815 403 H ALA 61 H ALA 61 14.872 1.975 14.857 404 HA ALA 61 HA ALA 61 14.871 0.292 12.664 405 HB1 ALA 61 1HB ALA 61 13.938 2.225 11.402 406 HB2 ALA 61 2HB ALA 61 13.141 1.923 12.947 407 HB3 ALA 61 3HB ALA 61 14.296 3.247 12.795 408 H GLN 62 H GLN 62 16.835 -0.343 11.880 409 HA GLN 62 HA GLN 62 18.408 1.736 10.524 410 HB2 GLN 62 1HB GLN 62 19.374 -0.392 12.399 411 HB3 GLN 62 2HB GLN 62 20.421 0.172 11.103 412 HG2 GLN 62 1HG GLN 62 20.661 2.260 12.014 413 HG3 GLN 62 2HG GLN 62 19.130 2.174 12.884 414 HE21 GLN 62 1HE2 GLN 62 19.814 2.608 14.903 415 HE22 GLN 62 2HE2 GLN 62 20.935 1.634 15.786 416 H ARG 63 H ARG 63 18.018 -1.794 10.844 417 HA ARG 63 HA ARG 63 18.155 -1.973 7.908 418 HB2 ARG 63 1HB ARG 63 19.415 -3.816 9.942 419 HB3 ARG 63 2HB ARG 63 19.247 -4.216 8.238 420 HG2 ARG 63 1HG ARG 63 20.723 -2.484 7.591 421 HG3 ARG 63 2HG ARG 63 20.697 -1.769 9.204 422 HD2 ARG 63 1HD ARG 63 21.824 -4.476 8.498 423 HD3 ARG 63 2HD ARG 63 22.770 -3.015 8.778 424 HE ARG 63 HE ARG 63 21.034 -3.806 10.954 425 HH11 ARG 63 2HH1 ARG 63 24.212 -3.981 9.544 426 HH12 ARG 63 1HH1 ARG 63 24.994 -4.390 11.036 427 HH21 ARG 63 2HH2 ARG 63 22.051 -4.345 12.923 428 HH22 ARG 63 1HH2 ARG 63 23.763 -4.598 12.957 429 H GLU 64 H GLU 64 15.786 -1.722 9.412 430 HA GLU 64 HA GLU 64 14.646 -4.368 9.709 431 HB2 GLU 64 1HB GLU 64 14.146 -2.134 11.051 432 HB3 GLU 64 2HB GLU 64 12.968 -1.904 9.767 433 HG2 GLU 64 1HG GLU 64 12.181 -3.038 11.902 434 HG3 GLU 64 2HG GLU 64 11.756 -3.799 10.370 435 H THR 65 H THR 65 12.319 -4.582 8.741 436 HA THR 65 HA THR 65 12.297 -3.626 5.963 437 HB THR 65 HB THR 65 11.529 -5.861 5.204 438 HG1 THR 65 1HG THR 65 12.535 -7.095 7.483 439 HG21 THR 65 1HG2 THR 65 14.034 -5.017 5.418 440 HG22 THR 65 2HG2 THR 65 13.653 -6.647 4.862 441 HG23 THR 65 3HG2 THR 65 14.140 -6.377 6.535 442 H VAL 66 H VAL 66 10.424 -2.705 5.470 443 HA VAL 66 HA VAL 66 8.016 -3.526 6.961 444 HB VAL 66 HB VAL 66 7.164 -1.235 6.697 445 HG11 VAL 66 1HG1 VAL 66 8.102 -0.619 8.634 446 HG12 VAL 66 2HG1 VAL 66 9.001 -2.133 8.516 447 HG13 VAL 66 3HG1 VAL 66 9.729 -0.627 7.955 448 HG21 VAL 66 1HG2 VAL 66 8.059 0.165 5.225 449 HG22 VAL 66 2HG2 VAL 66 9.572 0.163 6.133 450 HG23 VAL 66 3HG2 VAL 66 9.311 -1.021 4.852 451 H PHE 67 H PHE 67 5.963 -3.096 5.797 452 HA PHE 67 HA PHE 67 6.264 -3.849 2.984 453 HB2 PHE 67 1HB PHE 67 3.882 -3.981 4.843 454 HB3 PHE 67 2HB PHE 67 3.847 -4.458 3.149 455 HD1 PHE 67 2HD PHE 67 5.733 -6.199 2.483 456 HD2 PHE 67 1HD PHE 67 4.218 -5.610 6.417 457 HE1 PHE 67 2HE PHE 67 6.480 -8.459 3.105 458 HE2 PHE 67 1HE PHE 67 4.963 -7.869 7.046 459 HZ PHE 67 HZ PHE 67 6.094 -9.298 5.389 460 H VAL 68 H VAL 68 5.751 -2.523 1.362 461 HA VAL 68 HA VAL 68 4.208 -0.090 1.983 462 HB VAL 68 HB VAL 68 5.574 1.067 0.221 463 HG11 VAL 68 1HG1 VAL 68 6.456 1.915 2.080 464 HG12 VAL 68 2HG1 VAL 68 6.320 0.371 2.925 465 HG13 VAL 68 3HG1 VAL 68 7.738 0.713 1.932 466 HG21 VAL 68 1HG2 VAL 68 7.831 0.062 -0.216 467 HG22 VAL 68 2HG2 VAL 68 7.222 -1.442 0.474 468 HG23 VAL 68 3HG2 VAL 68 6.483 -0.777 -0.983 469 H CYS 69 H CYS 69 3.324 0.952 -0.050 470 HA CYS 69 HA CYS 69 1.949 -1.094 -1.576 471 HB2 CYS 69 1HB CYS 69 0.503 0.661 -2.331 472 HB3 CYS 69 2HB CYS 69 0.782 0.913 -0.611 473 H ALA 70 H ALA 70 2.121 -1.454 -3.748 474 HA ALA 70 HA ALA 70 4.411 -1.368 -5.107 475 HB1 ALA 70 1HB ALA 70 2.606 -2.461 -6.134 476 HB2 ALA 70 2HB ALA 70 1.629 -0.992 -6.175 477 HB3 ALA 70 3HB ALA 70 3.029 -1.150 -7.236 478 H SER 71 H SER 71 1.999 1.249 -5.396 479 HA SER 71 HA SER 71 3.265 2.986 -7.040 480 HB2 SER 71 1HB SER 71 1.094 3.527 -6.151 481 HB3 SER 71 2HB SER 71 1.735 3.630 -4.511 482 HG SER 71 HG SER 71 2.702 5.516 -4.988 483 H CYS 72 H CYS 72 3.907 2.594 -3.577 484 HA CYS 72 HA CYS 72 5.984 4.587 -3.573 485 HB2 CYS 72 1HB CYS 72 5.142 2.549 -1.503 486 HB3 CYS 72 2HB CYS 72 6.380 3.773 -1.239 487 H ASN 73 H ASN 73 5.952 1.056 -3.053 488 HA ASN 73 HA ASN 73 8.563 0.465 -2.813 489 HB2 ASN 73 1HB ASN 73 6.866 -1.271 -2.862 490 HB3 ASN 73 2HB ASN 73 6.576 -0.983 -4.576 491 HD21 ASN 73 1HD2 ASN 73 7.865 -1.923 -6.063 492 HD22 ASN 73 2HD2 ASN 73 9.167 -2.992 -5.680 493 H GLN 74 H GLN 74 6.949 1.309 -5.840 494 HA GLN 74 HA GLN 74 9.184 0.853 -7.519 495 HB2 GLN 74 1HB GLN 74 6.595 2.327 -7.797 496 HB3 GLN 74 2HB GLN 74 7.846 2.552 -9.013 497 HG2 GLN 74 1HG GLN 74 7.882 -0.023 -9.128 498 HG3 GLN 74 2HG GLN 74 6.321 0.078 -8.315 499 HE21 GLN 74 1HE2 GLN 74 7.228 -0.731 -11.082 500 HE22 GLN 74 2HE2 GLN 74 6.191 0.156 -12.141 501 H THR 75 H THR 75 7.906 3.767 -5.953 502 HA THR 75 HA THR 75 9.798 5.560 -7.041 503 HB THR 75 HB THR 75 8.274 5.803 -4.439 504 HG1 THR 75 1HG THR 75 6.834 7.052 -5.787 505 HG21 THR 75 1HG2 THR 75 10.148 7.558 -5.848 506 HG22 THR 75 2HG2 THR 75 9.596 7.601 -4.174 507 HG23 THR 75 3HG2 THR 75 8.613 8.325 -5.446 508 H LEU 76 H LEU 76 9.683 3.843 -3.930 509 HA LEU 76 HA LEU 76 12.008 4.892 -2.812 510 HB2 LEU 76 1HB LEU 76 10.859 2.124 -2.481 511 HB3 LEU 76 2HB LEU 76 12.049 2.872 -1.418 512 HG LEU 76 HG LEU 76 9.269 3.960 -1.837 513 HD11 LEU 76 1HD1 LEU 76 9.593 2.867 0.747 514 HD12 LEU 76 2HD1 LEU 76 10.073 1.630 -0.414 515 HD13 LEU 76 3HD1 LEU 76 8.474 2.367 -0.522 516 HD21 LEU 76 1HD2 LEU 76 11.569 4.621 -0.042 517 HD22 LEU 76 2HD2 LEU 76 9.914 4.959 0.467 518 HD23 LEU 76 3HD2 LEU 76 10.554 5.696 -1.003 519 H SER 77 H SER 77 11.634 1.802 -4.557 520 HA SER 77 HA SER 77 14.377 1.193 -4.635 521 HB2 SER 77 1HB SER 77 13.773 -0.448 -6.365 522 HB3 SER 77 2HB SER 77 12.627 -0.491 -5.025 523 HG SER 77 HG SER 77 12.192 1.012 -7.386 524 H LYS 78 H LYS 78 12.311 3.044 -6.787 525 HA LYS 78 HA LYS 78 13.878 3.244 -9.043 526 HB2 LYS 78 1HB LYS 78 11.658 4.200 -8.960 527 HB3 LYS 78 2HB LYS 78 12.159 5.358 -7.734 528 HG2 LYS 78 1HG LYS 78 13.375 6.629 -9.249 529 HG3 LYS 78 2HG LYS 78 13.475 5.312 -10.421 530 HD2 LYS 78 1HD LYS 78 11.898 6.778 -11.337 531 HD3 LYS 78 2HD LYS 78 10.924 5.516 -10.578 532 HE2 LYS 78 1HE LYS 78 10.393 6.899 -8.739 533 HE3 LYS 78 2HE LYS 78 11.637 8.073 -9.166 534 HZ1 LYS 78 1HZ LYS 78 9.476 8.904 -9.769 535 HZ2 LYS 78 2HZ LYS 78 9.147 7.522 -10.687 536 HZ3 LYS 78 3HZ LYS 78 10.361 8.593 -11.177 537 H SER 79 H SER 79 15.811 4.072 -9.494 538 HA SER 79 HA SER 79 17.691 4.864 -7.723 539 HB2 SER 79 1HB SER 79 18.905 5.895 -9.551 540 HB3 SER 79 2HB SER 79 18.075 4.462 -10.157 541 HG SER 79 HG SER 79 17.180 7.145 -10.409 542 H GLY 80 H GLY 80 17.359 6.281 -6.114 543 HA2 GLY 80 1HA GLY 80 17.053 9.079 -6.804 544 HA3 GLY 80 2HA GLY 80 15.721 8.403 -5.877 545 HA PRO 81 HA PRO 81 19.299 9.862 -3.126 546 HB2 PRO 81 1HB PRO 81 18.062 12.024 -2.045 547 HB3 PRO 81 2HB PRO 81 19.041 12.112 -3.514 548 HG2 PRO 81 1HG PRO 81 16.065 11.955 -3.228 549 HG3 PRO 81 2HG PRO 81 17.033 12.970 -4.313 550 HD2 PRO 81 1HD PRO 81 15.826 10.691 -5.139 551 HD3 PRO 81 2HD PRO 81 17.362 11.259 -5.823 552 H SER 82 H SER 82 19.203 10.048 -0.742 553 HA SER 82 HA SER 82 17.004 8.412 0.305 554 HB2 SER 82 1HB SER 82 19.586 7.890 0.548 555 HB3 SER 82 2HB SER 82 19.459 9.010 1.905 556 HG SER 82 HG SER 82 18.236 6.508 1.535 557 H SER 83 H SER 83 15.433 9.951 0.684 558 HA SER 83 HA SER 83 15.551 11.326 3.144 559 HB2 SER 83 1HB SER 83 16.930 12.951 2.035 560 HB3 SER 83 2HB SER 83 15.837 13.015 0.652 561 HG SER 83 HG SER 83 14.436 14.191 1.786 562 H GLY 84 H GLY 84 13.555 10.778 3.751 563 HA2 GLY 84 1HA GLY 84 11.237 11.353 3.784 564 HA3 GLY 84 2HA GLY 84 11.323 11.664 2.056 Start of MODEL 12 1 H1 GLY 1 H GLY 1 5.353 38.303 -9.224 2 HA2 GLY 1 1HA GLY 1 3.049 37.881 -10.749 3 HA3 GLY 1 2HA GLY 1 4.059 36.452 -10.919 4 H SER 2 H SER 2 1.915 35.670 -9.897 5 HA SER 2 HA SER 2 2.336 35.570 -6.986 6 HB2 SER 2 1HB SER 2 -0.038 35.661 -6.582 7 HB3 SER 2 2HB SER 2 0.391 37.038 -7.597 8 HG SER 2 HG SER 2 -0.546 34.591 -8.666 9 H SER 3 H SER 3 1.548 33.636 -5.953 10 HA SER 3 HA SER 3 0.849 31.393 -7.669 11 HB2 SER 3 1HB SER 3 2.671 29.984 -6.943 12 HB3 SER 3 2HB SER 3 3.354 31.468 -7.609 13 HG SER 3 HG SER 3 3.310 30.543 -4.984 14 H GLY 4 H GLY 4 0.481 29.375 -6.301 15 HA2 GLY 4 1HA GLY 4 0.194 29.157 -3.632 16 HA3 GLY 4 2HA GLY 4 -1.190 30.149 -4.065 17 H SER 5 H SER 5 0.359 27.337 -5.610 18 HA SER 5 HA SER 5 -2.013 26.203 -6.541 19 HB2 SER 5 1HB SER 5 0.193 25.554 -7.396 20 HB3 SER 5 2HB SER 5 0.588 24.815 -5.844 21 HG SER 5 HG SER 5 -0.729 23.752 -7.910 22 H SER 6 H SER 6 -3.648 25.292 -5.507 23 HA SER 6 HA SER 6 -3.132 23.988 -2.916 24 HB2 SER 6 1HB SER 6 -4.301 26.154 -2.619 25 HB3 SER 6 2HB SER 6 -5.599 25.577 -3.663 26 HG SER 6 HG SER 6 -4.790 24.352 -1.233 27 H GLY 7 H GLY 7 -4.939 22.451 -2.304 28 HA2 GLY 7 1HA GLY 7 -6.765 21.371 -4.079 29 HA3 GLY 7 2HA GLY 7 -5.248 20.541 -4.392 30 H ARG 8 H ARG 8 -7.702 19.398 -3.395 31 HA ARG 8 HA ARG 8 -6.602 18.022 -1.107 32 HB2 ARG 8 1HB ARG 8 -8.530 18.426 0.351 33 HB3 ARG 8 2HB ARG 8 -7.692 19.925 -0.027 34 HG2 ARG 8 1HG ARG 8 -9.388 20.569 -1.575 35 HG3 ARG 8 2HG ARG 8 -10.164 18.988 -1.462 36 HD2 ARG 8 1HD ARG 8 -11.088 19.434 0.581 37 HD3 ARG 8 2HD ARG 8 -9.801 20.548 1.040 38 HE ARG 8 HE ARG 8 -12.231 21.184 -0.375 39 HH11 ARG 8 2HH1 ARG 8 -8.979 22.176 0.371 40 HH12 ARG 8 1HH1 ARG 8 -9.279 23.853 0.057 41 HH21 ARG 8 2HH2 ARG 8 -12.639 23.389 -0.792 42 HH22 ARG 8 1HH2 ARG 8 -11.361 24.542 -0.604 43 H TYR 9 H TYR 9 -7.348 15.959 -0.934 44 HA TYR 9 HA TYR 9 -8.325 14.550 -2.998 45 HB2 TYR 9 1HB TYR 9 -9.275 13.918 -0.210 46 HB3 TYR 9 2HB TYR 9 -8.884 12.797 -1.509 47 HD1 TYR 9 2HD TYR 9 -7.506 14.972 1.104 48 HD2 TYR 9 1HD TYR 9 -6.592 12.178 -1.972 49 HE1 TYR 9 2HE TYR 9 -5.224 14.748 1.993 50 HE2 TYR 9 1HE TYR 9 -4.308 11.945 -1.090 51 HH TYR 9 HH TYR 9 -2.959 14.074 1.104 52 HA PRO 10 HA PRO 10 -12.394 16.420 -3.482 53 HB2 PRO 10 1HB PRO 10 -12.842 15.337 -5.931 54 HB3 PRO 10 2HB PRO 10 -11.840 16.772 -5.684 55 HG2 PRO 10 1HG PRO 10 -11.006 13.923 -6.067 56 HG3 PRO 10 2HG PRO 10 -10.314 15.396 -6.772 57 HD2 PRO 10 1HD PRO 10 -9.199 14.134 -4.652 58 HD3 PRO 10 2HD PRO 10 -9.112 15.894 -4.869 59 H THR 11 H THR 11 -11.439 13.285 -2.909 60 HA THR 11 HA THR 11 -14.052 12.075 -3.360 61 HB THR 11 HB THR 11 -13.024 9.975 -2.674 62 HG1 THR 11 1HG THR 11 -10.944 11.697 -1.875 63 HG21 THR 11 1HG2 THR 11 -11.125 9.928 -4.382 64 HG22 THR 11 2HG2 THR 11 -11.485 11.632 -4.658 65 HG23 THR 11 3HG2 THR 11 -12.717 10.409 -4.969 66 H ASN 12 H ASN 12 -15.379 11.281 -1.743 67 HA ASN 12 HA ASN 12 -14.850 12.375 0.934 68 HB2 ASN 12 1HB ASN 12 -16.960 12.993 -0.441 69 HB3 ASN 12 2HB ASN 12 -17.531 11.385 -0.003 70 HD21 ASN 12 1HD2 ASN 12 -18.383 11.062 1.957 71 HD22 ASN 12 2HD2 ASN 12 -18.465 12.255 3.204 72 H ASN 13 H ASN 13 -16.485 9.559 -0.533 73 HA ASN 13 HA ASN 13 -15.678 7.978 1.812 74 HB2 ASN 13 1HB ASN 13 -18.168 8.257 0.969 75 HB3 ASN 13 2HB ASN 13 -17.696 6.990 -0.159 76 HD21 ASN 13 1HD2 ASN 13 -19.545 7.094 2.201 77 HD22 ASN 13 2HD2 ASN 13 -19.068 5.754 3.182 78 H PHE 14 H PHE 14 -13.715 7.151 1.332 79 HA PHE 14 HA PHE 14 -13.512 5.551 -1.134 80 HB2 PHE 14 1HB PHE 14 -11.171 6.130 -1.316 81 HB3 PHE 14 2HB PHE 14 -12.115 7.613 -1.219 82 HD1 PHE 14 2HD PHE 14 -12.225 8.833 0.980 83 HD2 PHE 14 1HD PHE 14 -9.485 5.662 0.237 84 HE1 PHE 14 2HE PHE 14 -10.846 9.586 2.872 85 HE2 PHE 14 1HE PHE 14 -8.101 6.410 2.129 86 HZ PHE 14 HZ PHE 14 -8.780 8.375 3.449 87 H GLY 15 H GLY 15 -13.974 3.580 -0.234 88 HA2 GLY 15 1HA GLY 15 -12.185 2.688 1.942 89 HA3 GLY 15 2HA GLY 15 -13.823 2.091 1.715 90 H ASN 16 H ASN 16 -11.103 2.538 -0.540 91 HA ASN 16 HA ASN 16 -10.992 -0.353 -0.947 92 HB2 ASN 16 1HB ASN 16 -10.998 1.343 -3.403 93 HB3 ASN 16 2HB ASN 16 -11.490 -0.336 -3.197 94 HD21 ASN 16 1HD2 ASN 16 -13.342 -0.323 -1.321 95 HD22 ASN 16 2HD2 ASN 16 -14.686 0.672 -1.753 96 H CYS 17 H CYS 17 -9.157 -0.841 -2.599 97 HA CYS 17 HA CYS 17 -6.753 0.118 -1.504 98 HB2 CYS 17 1HB CYS 17 -7.076 -2.086 -2.667 99 HB3 CYS 17 2HB CYS 17 -7.095 -1.214 -4.196 100 H THR 18 H THR 18 -5.016 1.244 -2.637 101 HA THR 18 HA THR 18 -6.086 3.479 -4.205 102 HB THR 18 HB THR 18 -3.368 3.272 -2.900 103 HG1 THR 18 1HG THR 18 -4.316 4.535 -1.240 104 HG21 THR 18 1HG2 THR 18 -3.822 5.879 -3.032 105 HG22 THR 18 2HG2 THR 18 -4.842 5.389 -4.385 106 HG23 THR 18 3HG2 THR 18 -3.123 4.996 -4.388 107 H GLY 19 H GLY 19 -4.858 0.579 -4.884 108 HA2 GLY 19 1HA GLY 19 -3.316 1.582 -7.199 109 HA3 GLY 19 2HA GLY 19 -2.931 0.082 -6.368 110 H CYS 20 H CYS 20 -5.106 -1.328 -6.164 111 HA CYS 20 HA CYS 20 -6.014 -1.654 -8.938 112 HB2 CYS 20 1HB CYS 20 -6.560 -3.965 -8.297 113 HB3 CYS 20 2HB CYS 20 -4.870 -3.591 -7.974 114 H SER 21 H SER 21 -7.075 0.042 -6.538 115 HA SER 21 HA SER 21 -9.087 0.587 -5.582 116 HB2 SER 21 1HB SER 21 -9.834 -0.017 -8.448 117 HB3 SER 21 2HB SER 21 -10.941 0.738 -7.301 118 HG SER 21 HG SER 21 -8.397 1.848 -7.577 119 H ALA 22 H ALA 22 -8.337 -2.193 -5.252 120 HA ALA 22 HA ALA 22 -10.767 -3.736 -5.548 121 HB1 ALA 22 1HB ALA 22 -9.442 -5.513 -4.386 122 HB2 ALA 22 2HB ALA 22 -8.723 -4.915 -5.882 123 HB3 ALA 22 3HB ALA 22 -8.092 -4.380 -4.325 124 H THR 23 H THR 23 -12.365 -3.011 -4.238 125 HA THR 23 HA THR 23 -12.168 -1.873 -1.736 126 HB THR 23 HB THR 23 -14.417 -3.711 -2.569 127 HG1 THR 23 1HG THR 23 -13.679 -1.148 -3.437 128 HG21 THR 23 1HG2 THR 23 -15.194 -3.113 -0.553 129 HG22 THR 23 2HG2 THR 23 -15.454 -1.517 -1.258 130 HG23 THR 23 3HG2 THR 23 -13.972 -1.855 -0.365 131 H PHE 24 H PHE 24 -12.353 -2.642 0.385 132 HA PHE 24 HA PHE 24 -11.347 -5.368 0.741 133 HB2 PHE 24 1HB PHE 24 -11.592 -3.283 2.902 134 HB3 PHE 24 2HB PHE 24 -10.532 -4.688 2.853 135 HD1 PHE 24 2HD PHE 24 -11.077 -1.287 1.596 136 HD2 PHE 24 1HD PHE 24 -8.447 -4.633 1.679 137 HE1 PHE 24 2HE PHE 24 -9.275 0.111 0.674 138 HE2 PHE 24 1HE PHE 24 -6.641 -3.240 0.757 139 HZ PHE 24 HZ PHE 24 -7.054 -0.865 0.252 140 H SER 25 H SER 25 -14.008 -5.246 0.025 141 HA SER 25 HA SER 25 -15.523 -5.601 2.507 142 HB2 SER 25 1HB SER 25 -16.246 -5.029 -0.328 143 HB3 SER 25 2HB SER 25 -17.411 -5.922 0.650 144 HG SER 25 HG SER 25 -17.142 -3.363 0.601 145 H VAL 26 H VAL 26 -14.888 -7.294 -0.558 146 HA VAL 26 HA VAL 26 -16.157 -9.706 0.168 147 HB VAL 26 HB VAL 26 -13.919 -9.286 -1.818 148 HG11 VAL 26 1HG1 VAL 26 -15.870 -11.560 -1.473 149 HG12 VAL 26 2HG1 VAL 26 -14.792 -11.357 -2.856 150 HG13 VAL 26 3HG1 VAL 26 -14.123 -11.620 -1.245 151 HG21 VAL 26 1HG2 VAL 26 -16.806 -8.731 -1.882 152 HG22 VAL 26 2HG2 VAL 26 -15.493 -8.032 -2.830 153 HG23 VAL 26 3HG2 VAL 26 -16.175 -9.594 -3.285 154 H LEU 27 H LEU 27 -15.319 -9.892 2.383 155 HA LEU 27 HA LEU 27 -13.748 -10.508 3.973 156 HB2 LEU 27 1HB LEU 27 -12.929 -12.899 3.332 157 HB3 LEU 27 2HB LEU 27 -14.632 -12.597 3.673 158 HG LEU 27 HG LEU 27 -13.685 -12.486 0.847 159 HD11 LEU 27 1HD1 LEU 27 -12.837 -14.554 1.036 160 HD12 LEU 27 2HD1 LEU 27 -14.528 -15.053 1.062 161 HD13 LEU 27 3HD1 LEU 27 -13.643 -14.857 2.575 162 HD21 LEU 27 1HD2 LEU 27 -16.100 -12.118 2.028 163 HD22 LEU 27 2HD2 LEU 27 -16.180 -13.831 1.615 164 HD23 LEU 27 3HD2 LEU 27 -15.872 -12.633 0.356 165 H LYS 28 H LYS 28 -12.519 -8.708 2.251 166 HA LYS 28 HA LYS 28 -9.850 -9.885 1.844 167 HB2 LYS 28 1HB LYS 28 -11.117 -8.833 -0.125 168 HB3 LYS 28 2HB LYS 28 -10.806 -7.288 0.655 169 HG2 LYS 28 1HG LYS 28 -8.344 -7.979 0.629 170 HG3 LYS 28 2HG LYS 28 -8.842 -9.221 -0.521 171 HD2 LYS 28 1HD LYS 28 -10.013 -7.149 -1.686 172 HD3 LYS 28 2HD LYS 28 -8.748 -6.265 -0.830 173 HE2 LYS 28 1HE LYS 28 -7.865 -6.771 -2.961 174 HE3 LYS 28 2HE LYS 28 -7.104 -7.899 -1.840 175 HZ1 LYS 28 1HZ LYS 28 -8.325 -9.660 -2.647 176 HZ2 LYS 28 2HZ LYS 28 -8.044 -8.771 -4.058 177 HZ3 LYS 28 3HZ LYS 28 -9.547 -8.681 -3.286 178 H LYS 29 H LYS 29 -8.534 -9.468 3.487 179 HA LYS 29 HA LYS 29 -8.922 -7.476 5.421 180 HB2 LYS 29 1HB LYS 29 -6.608 -7.993 6.131 181 HB3 LYS 29 2HB LYS 29 -7.581 -9.438 5.891 182 HG2 LYS 29 1HG LYS 29 -5.949 -8.486 3.606 183 HG3 LYS 29 2HG LYS 29 -5.110 -9.228 4.970 184 HD2 LYS 29 1HD LYS 29 -7.057 -11.025 4.663 185 HD3 LYS 29 2HD LYS 29 -6.984 -10.423 3.005 186 HE2 LYS 29 1HE LYS 29 -4.464 -10.798 3.167 187 HE3 LYS 29 2HE LYS 29 -4.813 -11.728 4.623 188 HZ1 LYS 29 1HZ LYS 29 -4.736 -13.260 2.861 189 HZ2 LYS 29 2HZ LYS 29 -5.689 -12.294 1.852 190 HZ3 LYS 29 3HZ LYS 29 -6.382 -13.054 3.195 191 H ARG 30 H ARG 30 -8.332 -5.393 5.566 192 HA ARG 30 HA ARG 30 -7.084 -4.176 3.227 193 HB2 ARG 30 1HB ARG 30 -9.116 -3.127 3.988 194 HB3 ARG 30 2HB ARG 30 -8.488 -2.991 5.624 195 HG2 ARG 30 1HG ARG 30 -6.960 -1.309 5.009 196 HG3 ARG 30 2HG ARG 30 -7.192 -1.624 3.288 197 HD2 ARG 30 1HD ARG 30 -9.173 -0.492 3.206 198 HD3 ARG 30 2HD ARG 30 -9.570 -0.849 4.887 199 HE ARG 30 HE ARG 30 -8.057 1.400 3.892 200 HH11 ARG 30 2HH1 ARG 30 -8.844 -0.574 6.649 201 HH12 ARG 30 1HH1 ARG 30 -8.418 0.643 7.806 202 HH21 ARG 30 2HH2 ARG 30 -7.494 3.011 5.406 203 HH22 ARG 30 1HH2 ARG 30 -7.652 2.682 7.098 204 H ARG 31 H ARG 31 -5.017 -3.605 3.182 205 HA ARG 31 HA ARG 31 -3.483 -3.670 5.673 206 HB2 ARG 31 1HB ARG 31 -2.864 -4.089 2.805 207 HB3 ARG 31 2HB ARG 31 -1.601 -3.340 3.773 208 HG2 ARG 31 1HG ARG 31 -1.030 -5.510 4.068 209 HG3 ARG 31 2HG ARG 31 -2.178 -5.353 5.399 210 HD2 ARG 31 1HD ARG 31 -3.948 -6.133 3.736 211 HD3 ARG 31 2HD ARG 31 -2.601 -6.599 2.698 212 HE ARG 31 HE ARG 31 -2.319 -8.437 4.010 213 HH11 ARG 31 2HH1 ARG 31 -4.010 -6.018 5.856 214 HH12 ARG 31 1HH1 ARG 31 -4.244 -7.044 7.232 215 HH21 ARG 31 2HH2 ARG 31 -2.621 -9.798 5.815 216 HH22 ARG 31 1HH2 ARG 31 -3.453 -9.194 7.207 217 H SER 32 H SER 32 -1.516 -2.065 5.573 218 HA SER 32 HA SER 32 -2.348 0.560 4.589 219 HB2 SER 32 1HB SER 32 -2.069 1.642 6.708 220 HB3 SER 32 2HB SER 32 -3.142 0.268 6.972 221 HG SER 32 HG SER 32 -1.248 -0.897 7.676 222 H CYS 33 H CYS 33 -0.713 1.451 3.537 223 HA CYS 33 HA CYS 33 1.838 0.388 3.339 224 HB2 CYS 33 1HB CYS 33 0.795 2.018 1.752 225 HB3 CYS 33 2HB CYS 33 1.104 3.293 2.926 226 H SER 34 H SER 34 3.908 1.348 3.988 227 HA SER 34 HA SER 34 3.771 2.290 6.766 228 HB2 SER 34 1HB SER 34 5.764 0.677 5.220 229 HB3 SER 34 2HB SER 34 6.317 1.617 6.605 230 HG SER 34 HG SER 34 5.706 -0.155 7.608 231 H ASN 35 H ASN 35 4.864 3.132 3.586 232 HA ASN 35 HA ASN 35 6.492 5.343 4.527 233 HB2 ASN 35 1HB ASN 35 7.325 4.196 2.594 234 HB3 ASN 35 2HB ASN 35 5.780 4.354 1.763 235 HD21 ASN 35 1HD2 ASN 35 6.246 5.569 0.054 236 HD22 ASN 35 2HD2 ASN 35 6.990 7.128 0.112 237 H CYS 36 H CYS 36 3.954 5.254 2.032 238 HA CYS 36 HA CYS 36 3.254 7.975 2.422 239 HB2 CYS 36 1HB CYS 36 1.511 7.589 0.811 240 HB3 CYS 36 2HB CYS 36 2.937 6.699 0.291 241 H GLY 37 H GLY 37 1.837 4.920 3.505 242 HA2 GLY 37 1HA GLY 37 0.616 4.599 5.475 243 HA3 GLY 37 2HA GLY 37 0.468 6.342 5.641 244 H ASN 38 H ASN 38 -0.353 4.486 2.763 245 HA ASN 38 HA ASN 38 -3.139 5.366 3.097 246 HB2 ASN 38 1HB ASN 38 -1.928 4.396 0.515 247 HB3 ASN 38 2HB ASN 38 -3.360 5.396 0.748 248 HD21 ASN 38 1HD2 ASN 38 -1.178 5.976 -0.963 249 HD22 ASN 38 2HD2 ASN 38 -0.442 7.433 -0.398 250 H SER 39 H SER 39 -4.759 3.865 2.003 251 HA SER 39 HA SER 39 -4.447 1.249 3.172 252 HB2 SER 39 1HB SER 39 -6.771 0.895 2.495 253 HB3 SER 39 2HB SER 39 -6.599 2.460 3.289 254 HG SER 39 HG SER 39 -6.215 3.058 0.849 255 H PHE 40 H PHE 40 -4.340 -0.708 2.119 256 HA PHE 40 HA PHE 40 -4.400 -0.840 -0.767 257 HB2 PHE 40 1HB PHE 40 -1.846 -1.248 0.788 258 HB3 PHE 40 2HB PHE 40 -2.090 -1.908 -0.826 259 HD1 PHE 40 1HD PHE 40 -2.566 -0.311 -2.721 260 HD2 PHE 40 2HD PHE 40 -1.189 0.973 1.097 261 HE1 PHE 40 1HE PHE 40 -1.839 1.824 -3.705 262 HE2 PHE 40 2HE PHE 40 -0.461 3.110 0.119 263 HZ PHE 40 HZ PHE 40 -0.786 3.538 -2.285 264 H CYS 41 H CYS 41 -4.225 -3.055 -1.566 265 HA CYS 41 HA CYS 41 -5.525 -4.894 0.240 266 HB2 CYS 41 1HB CYS 41 -5.707 -6.354 -1.732 267 HB3 CYS 41 2HB CYS 41 -6.288 -4.728 -2.077 268 H SER 42 H SER 42 -4.702 -7.343 -0.322 269 HA SER 42 HA SER 42 -2.127 -7.476 0.974 270 HB2 SER 42 1HB SER 42 -3.887 -9.015 1.669 271 HB3 SER 42 2HB SER 42 -3.997 -9.665 0.034 272 HG SER 42 HG SER 42 -2.711 -11.022 1.266 273 H ARG 43 H ARG 43 -2.966 -6.999 -2.128 274 HA ARG 43 HA ARG 43 -0.803 -8.666 -3.220 275 HB2 ARG 43 1HB ARG 43 -3.254 -7.441 -4.454 276 HB3 ARG 43 2HB ARG 43 -1.892 -7.934 -5.452 277 HG2 ARG 43 1HG ARG 43 -3.065 -9.870 -3.511 278 HG3 ARG 43 2HG ARG 43 -3.883 -9.559 -5.043 279 HD2 ARG 43 1HD ARG 43 -0.962 -10.239 -4.926 280 HD3 ARG 43 2HD ARG 43 -2.201 -11.494 -4.942 281 HE ARG 43 HE ARG 43 -2.465 -9.560 -7.057 282 HH11 ARG 43 2HH1 ARG 43 -0.982 -12.549 -6.064 283 HH12 ARG 43 1HH1 ARG 43 -0.745 -13.121 -7.682 284 HH21 ARG 43 2HH2 ARG 43 -2.158 -10.302 -9.192 285 HH22 ARG 43 1HH2 ARG 43 -1.414 -11.841 -9.461 286 H CYS 44 H CYS 44 -1.819 -5.422 -2.621 287 HA CYS 44 HA CYS 44 0.333 -4.334 -4.286 288 HB2 CYS 44 1HB CYS 44 -1.972 -2.996 -2.858 289 HB3 CYS 44 2HB CYS 44 -0.720 -2.124 -3.737 290 H CYS 45 H CYS 45 -0.676 -4.728 -0.968 291 HA CYS 45 HA CYS 45 1.570 -3.126 -0.005 292 HB2 CYS 45 1HB CYS 45 -0.642 -2.819 1.051 293 HB3 CYS 45 2HB CYS 45 -0.631 -4.508 1.543 294 HG CYS 45 HG CYS 45 1.605 -4.204 3.230 295 H SER 46 H SER 46 2.315 -5.431 -1.366 296 HA SER 46 HA SER 46 3.331 -7.123 0.824 297 HB2 SER 46 1HB SER 46 1.653 -8.079 -0.993 298 HB3 SER 46 2HB SER 46 3.126 -8.201 -1.955 299 HG SER 46 HG SER 46 4.031 -9.405 -0.187 300 H PHE 47 H PHE 47 4.669 -4.824 0.082 301 HA PHE 47 HA PHE 47 7.030 -5.925 -1.292 302 HB2 PHE 47 1HB PHE 47 5.869 -3.143 -1.487 303 HB3 PHE 47 2HB PHE 47 7.484 -3.559 -2.050 304 HD1 PHE 47 2HD PHE 47 7.794 -4.999 -3.991 305 HD2 PHE 47 1HD PHE 47 3.913 -3.832 -2.689 306 HE1 PHE 47 2HE PHE 47 6.860 -5.705 -6.155 307 HE2 PHE 47 1HE PHE 47 2.972 -4.537 -4.851 308 HZ PHE 47 HZ PHE 47 4.446 -5.473 -6.587 309 H LYS 48 H LYS 48 8.679 -6.117 0.056 310 HA LYS 48 HA LYS 48 8.747 -4.578 2.520 311 HB2 LYS 48 1HB LYS 48 10.479 -6.825 1.481 312 HB3 LYS 48 2HB LYS 48 10.732 -6.032 3.030 313 HG2 LYS 48 1HG LYS 48 8.503 -6.745 3.753 314 HG3 LYS 48 2HG LYS 48 8.272 -7.561 2.204 315 HD2 LYS 48 1HD LYS 48 9.004 -9.323 3.463 316 HD3 LYS 48 2HD LYS 48 10.554 -8.715 2.877 317 HE2 LYS 48 1HE LYS 48 10.747 -9.131 5.228 318 HE3 LYS 48 2HE LYS 48 10.752 -7.387 4.972 319 HZ1 LYS 48 1HZ LYS 48 8.183 -7.736 5.363 320 HZ2 LYS 48 2HZ LYS 48 9.256 -7.518 6.652 321 HZ3 LYS 48 3HZ LYS 48 8.733 -9.073 6.241 322 H VAL 49 H VAL 49 9.983 -2.846 2.861 323 HA VAL 49 HA VAL 49 12.364 -2.407 1.227 324 HB VAL 49 HB VAL 49 11.774 -0.128 0.668 325 HG11 VAL 49 1HG1 VAL 49 9.668 -0.639 -0.749 326 HG12 VAL 49 2HG1 VAL 49 11.153 -1.540 -1.064 327 HG13 VAL 49 3HG1 VAL 49 9.853 -2.280 -0.129 328 HG21 VAL 49 1HG2 VAL 49 9.003 -0.018 1.196 329 HG22 VAL 49 2HG2 VAL 49 9.799 -0.494 2.697 330 HG23 VAL 49 3HG2 VAL 49 10.282 0.990 1.875 331 HA PRO 50 HA PRO 50 14.081 -0.955 5.001 332 HB2 PRO 50 1HB PRO 50 15.976 0.745 4.061 333 HB3 PRO 50 2HB PRO 50 16.119 -1.012 3.943 334 HG2 PRO 50 1HG PRO 50 15.245 0.960 1.868 335 HG3 PRO 50 2HG PRO 50 16.322 -0.438 1.699 336 HD2 PRO 50 1HD PRO 50 13.723 -0.502 0.944 337 HD3 PRO 50 2HD PRO 50 14.571 -1.931 1.569 338 H LYS 51 H LYS 51 13.498 0.533 6.456 339 HA LYS 51 HA LYS 51 12.101 2.915 5.559 340 HB2 LYS 51 1HB LYS 51 11.626 3.217 7.997 341 HB3 LYS 51 2HB LYS 51 11.052 1.692 7.335 342 HG2 LYS 51 1HG LYS 51 12.691 0.457 8.427 343 HG3 LYS 51 2HG LYS 51 13.712 1.871 8.697 344 HD2 LYS 51 1HD LYS 51 12.792 1.468 10.796 345 HD3 LYS 51 2HD LYS 51 11.751 2.732 10.138 346 HE2 LYS 51 1HE LYS 51 10.037 1.184 9.631 347 HE3 LYS 51 2HE LYS 51 11.106 -0.195 9.885 348 HZ1 LYS 51 1HZ LYS 51 9.931 -0.165 11.831 349 HZ2 LYS 51 2HZ LYS 51 9.784 1.519 11.867 350 HZ3 LYS 51 3HZ LYS 51 11.255 0.791 12.273 351 H SER 52 H SER 52 14.824 2.961 4.941 352 HA SER 52 HA SER 52 15.835 5.018 6.795 353 HB2 SER 52 1HB SER 52 17.366 3.223 6.928 354 HB3 SER 52 2HB SER 52 17.300 2.928 5.191 355 HG SER 52 HG SER 52 18.573 4.648 4.832 356 H SER 53 H SER 53 15.959 3.968 3.394 357 HA SER 53 HA SER 53 17.013 6.302 2.309 358 HB2 SER 53 1HB SER 53 16.526 4.001 1.199 359 HB3 SER 53 2HB SER 53 14.944 4.690 0.839 360 HG SER 53 HG SER 53 17.480 5.469 -0.089 361 H MET 54 H MET 54 13.653 5.434 2.987 362 HA MET 54 HA MET 54 12.148 7.277 1.787 363 HB2 MET 54 1HB MET 54 12.082 6.318 4.626 364 HB3 MET 54 2HB MET 54 10.926 7.528 4.085 365 HG2 MET 54 1HG MET 54 9.771 5.563 3.778 366 HG3 MET 54 2HG MET 54 10.434 5.867 2.174 367 HE1 MET 54 1HE MET 54 9.269 3.121 3.093 368 HE2 MET 54 2HE MET 54 10.416 1.923 3.693 369 HE3 MET 54 3HE MET 54 9.843 3.207 4.759 370 H GLY 55 H GLY 55 13.473 8.060 5.009 371 HA2 GLY 55 1HA GLY 55 14.658 10.496 4.261 372 HA3 GLY 55 2HA GLY 55 13.017 10.821 4.801 373 H ALA 56 H ALA 56 13.500 11.903 6.664 374 HA ALA 56 HA ALA 56 15.421 11.607 8.507 375 HB1 ALA 56 1HB ALA 56 13.900 13.268 9.006 376 HB2 ALA 56 2HB ALA 56 12.511 12.194 8.838 377 HB3 ALA 56 3HB ALA 56 13.553 12.074 10.256 378 H THR 57 H THR 57 16.287 9.646 8.960 379 HA THR 57 HA THR 57 14.520 7.681 10.267 380 HB THR 57 HB THR 57 15.185 6.685 8.210 381 HG1 THR 57 1HG THR 57 15.591 4.950 9.338 382 HG21 THR 57 1HG2 THR 57 18.015 7.476 8.913 383 HG22 THR 57 2HG2 THR 57 17.024 8.172 7.630 384 HG23 THR 57 3HG2 THR 57 17.544 6.490 7.529 385 H ALA 58 H ALA 58 15.204 6.778 12.161 386 HA ALA 58 HA ALA 58 17.347 8.135 13.542 387 HB1 ALA 58 1HB ALA 58 14.965 6.835 14.296 388 HB2 ALA 58 2HB ALA 58 16.291 5.951 15.052 389 HB3 ALA 58 3HB ALA 58 16.115 7.684 15.329 390 HA PRO 59 HA PRO 59 20.546 5.144 13.276 391 HB2 PRO 59 1HB PRO 59 21.406 4.859 15.835 392 HB3 PRO 59 2HB PRO 59 21.702 6.316 14.879 393 HG2 PRO 59 1HG PRO 59 19.604 5.805 16.952 394 HG3 PRO 59 2HG PRO 59 20.607 7.247 16.707 395 HD2 PRO 59 1HD PRO 59 18.039 7.098 15.862 396 HD3 PRO 59 2HD PRO 59 19.274 8.038 15.001 397 H GLU 60 H GLU 60 17.707 4.398 14.930 398 HA GLU 60 HA GLU 60 18.531 1.652 15.524 399 HB2 GLU 60 1HB GLU 60 17.334 2.660 17.320 400 HB3 GLU 60 2HB GLU 60 16.079 3.254 16.241 401 HG2 GLU 60 1HG GLU 60 15.278 1.021 15.859 402 HG3 GLU 60 2HG GLU 60 16.611 0.345 16.793 403 H ALA 61 H ALA 61 15.965 3.394 13.778 404 HA ALA 61 HA ALA 61 14.633 1.280 12.634 405 HB1 ALA 61 1HB ALA 61 15.148 4.077 11.721 406 HB2 ALA 61 2HB ALA 61 14.302 2.946 10.663 407 HB3 ALA 61 3HB ALA 61 13.642 3.328 12.254 408 H GLN 62 H GLN 62 17.809 2.444 11.926 409 HA GLN 62 HA GLN 62 18.241 1.650 9.331 410 HB2 GLN 62 1HB GLN 62 20.162 1.314 11.641 411 HB3 GLN 62 2HB GLN 62 20.595 1.359 9.937 412 HG2 GLN 62 1HG GLN 62 19.102 3.662 11.071 413 HG3 GLN 62 2HG GLN 62 20.808 3.480 11.478 414 HE21 GLN 62 1HE2 GLN 62 21.082 5.493 10.342 415 HE22 GLN 62 2HE2 GLN 62 21.220 5.493 8.620 416 H ARG 63 H ARG 63 18.859 -0.244 8.304 417 HA ARG 63 HA ARG 63 18.855 -2.473 7.857 418 HB2 ARG 63 1HB ARG 63 19.583 -2.626 10.787 419 HB3 ARG 63 2HB ARG 63 19.627 -3.995 9.684 420 HG2 ARG 63 1HG ARG 63 21.176 -1.495 9.118 421 HG3 ARG 63 2HG ARG 63 21.812 -2.757 10.175 422 HD2 ARG 63 1HD ARG 63 20.823 -3.298 7.385 423 HD3 ARG 63 2HD ARG 63 22.498 -2.881 7.743 424 HE ARG 63 HE ARG 63 21.133 -5.367 8.410 425 HH11 ARG 63 2HH1 ARG 63 23.979 -3.378 8.670 426 HH12 ARG 63 1HH1 ARG 63 25.010 -4.687 9.144 427 HH21 ARG 63 2HH2 ARG 63 22.480 -7.099 9.034 428 HH22 ARG 63 1HH2 ARG 63 24.157 -6.804 9.350 429 H GLU 64 H GLU 64 16.371 -1.283 8.381 430 HA GLU 64 HA GLU 64 14.920 -3.488 9.692 431 HB2 GLU 64 1HB GLU 64 14.723 -1.331 10.890 432 HB3 GLU 64 2HB GLU 64 14.052 -0.603 9.438 433 HG2 GLU 64 1HG GLU 64 12.338 -1.201 11.092 434 HG3 GLU 64 2HG GLU 64 12.122 -2.029 9.551 435 H THR 65 H THR 65 12.833 -4.028 8.794 436 HA THR 65 HA THR 65 12.545 -3.288 5.957 437 HB THR 65 HB THR 65 11.805 -5.574 5.454 438 HG1 THR 65 1HG THR 65 12.537 -7.092 7.320 439 HG21 THR 65 1HG2 THR 65 14.353 -4.734 5.678 440 HG22 THR 65 2HG2 THR 65 13.910 -6.344 5.111 441 HG23 THR 65 3HG2 THR 65 14.386 -6.101 6.792 442 H VAL 66 H VAL 66 10.655 -2.360 5.561 443 HA VAL 66 HA VAL 66 8.349 -3.077 7.254 444 HB VAL 66 HB VAL 66 7.487 -0.833 6.996 445 HG11 VAL 66 1HG1 VAL 66 10.226 -0.099 7.740 446 HG12 VAL 66 2HG1 VAL 66 8.730 0.001 8.670 447 HG13 VAL 66 3HG1 VAL 66 9.602 -1.528 8.562 448 HG21 VAL 66 1HG2 VAL 66 9.263 -0.736 4.794 449 HG22 VAL 66 2HG2 VAL 66 8.076 0.468 5.295 450 HG23 VAL 66 3HG2 VAL 66 9.727 0.548 5.910 451 H PHE 67 H PHE 67 6.218 -2.609 6.171 452 HA PHE 67 HA PHE 67 6.336 -3.606 3.416 453 HB2 PHE 67 1HB PHE 67 4.136 -3.617 5.484 454 HB3 PHE 67 2HB PHE 67 3.877 -4.087 3.807 455 HD1 PHE 67 2HD PHE 67 5.898 -5.779 2.999 456 HD2 PHE 67 1HD PHE 67 4.310 -5.375 6.928 457 HE1 PHE 67 2HE PHE 67 6.633 -8.066 3.528 458 HE2 PHE 67 1HE PHE 67 5.045 -7.662 7.463 459 HZ PHE 67 HZ PHE 67 6.207 -9.011 5.762 460 H VAL 68 H VAL 68 5.729 -2.395 1.736 461 HA VAL 68 HA VAL 68 4.201 0.067 2.257 462 HB VAL 68 HB VAL 68 5.521 1.280 0.628 463 HG11 VAL 68 1HG1 VAL 68 7.630 1.438 1.846 464 HG12 VAL 68 2HG1 VAL 68 6.266 1.310 2.958 465 HG13 VAL 68 3HG1 VAL 68 7.290 -0.094 2.650 466 HG21 VAL 68 1HG2 VAL 68 7.190 -1.222 0.390 467 HG22 VAL 68 2HG2 VAL 68 6.078 -0.609 -0.834 468 HG23 VAL 68 3HG2 VAL 68 7.511 0.322 -0.400 469 H CYS 69 H CYS 69 3.581 1.027 -0.052 470 HA CYS 69 HA CYS 69 2.126 -1.131 -1.390 471 HB2 CYS 69 1HB CYS 69 0.638 0.542 -2.214 472 HB3 CYS 69 2HB CYS 69 0.933 0.920 -0.519 473 H ALA 70 H ALA 70 2.288 -1.558 -3.558 474 HA ALA 70 HA ALA 70 4.586 -1.521 -4.907 475 HB1 ALA 70 1HB ALA 70 1.795 -1.635 -5.709 476 HB2 ALA 70 2HB ALA 70 2.843 -0.996 -6.976 477 HB3 ALA 70 3HB ALA 70 3.175 -2.578 -6.272 478 H SER 71 H SER 71 2.168 1.067 -5.364 479 HA SER 71 HA SER 71 3.466 2.745 -7.037 480 HB2 SER 71 1HB SER 71 1.211 3.031 -5.733 481 HB3 SER 71 2HB SER 71 2.201 3.948 -4.597 482 HG SER 71 HG SER 71 1.617 4.494 -7.295 483 H CYS 72 H CYS 72 4.050 2.461 -3.558 484 HA CYS 72 HA CYS 72 6.111 4.477 -3.583 485 HB2 CYS 72 1HB CYS 72 5.168 2.542 -1.463 486 HB3 CYS 72 2HB CYS 72 6.466 3.703 -1.205 487 H ASN 73 H ASN 73 6.164 1.024 -2.677 488 HA ASN 73 HA ASN 73 8.760 0.480 -2.451 489 HB2 ASN 73 1HB ASN 73 7.200 -1.321 -2.313 490 HB3 ASN 73 2HB ASN 73 6.712 -1.115 -3.993 491 HD21 ASN 73 1HD2 ASN 73 7.774 -2.185 -5.542 492 HD22 ASN 73 2HD2 ASN 73 9.164 -3.176 -5.279 493 H GLN 74 H GLN 74 7.151 1.196 -5.492 494 HA GLN 74 HA GLN 74 9.404 0.590 -7.139 495 HB2 GLN 74 1HB GLN 74 6.816 2.052 -7.596 496 HB3 GLN 74 2HB GLN 74 8.062 1.993 -8.835 497 HG2 GLN 74 1HG GLN 74 7.950 -0.576 -8.433 498 HG3 GLN 74 2HG GLN 74 6.370 -0.204 -7.745 499 HE21 GLN 74 1HE2 GLN 74 5.412 -1.417 -9.426 500 HE22 GLN 74 2HE2 GLN 74 5.237 -0.757 -11.013 501 H THR 75 H THR 75 7.978 3.607 -5.921 502 HA THR 75 HA THR 75 9.859 5.335 -7.123 503 HB THR 75 HB THR 75 8.153 5.758 -4.661 504 HG1 THR 75 1HG THR 75 7.077 7.129 -6.426 505 HG21 THR 75 1HG2 THR 75 9.532 7.528 -4.371 506 HG22 THR 75 2HG2 THR 75 8.575 8.231 -5.675 507 HG23 THR 75 3HG2 THR 75 10.126 7.470 -6.030 508 H LEU 76 H LEU 76 9.729 3.803 -3.934 509 HA LEU 76 HA LEU 76 11.963 5.096 -2.822 510 HB2 LEU 76 1HB LEU 76 10.851 2.354 -2.244 511 HB3 LEU 76 2HB LEU 76 12.012 3.214 -1.234 512 HG LEU 76 HG LEU 76 9.217 4.192 -1.808 513 HD11 LEU 76 1HD1 LEU 76 8.960 3.539 0.680 514 HD12 LEU 76 2HD1 LEU 76 10.315 2.456 0.366 515 HD13 LEU 76 3HD1 LEU 76 8.820 2.287 -0.554 516 HD21 LEU 76 1HD2 LEU 76 9.693 5.620 0.183 517 HD22 LEU 76 2HD2 LEU 76 10.675 5.996 -1.234 518 HD23 LEU 76 3HD2 LEU 76 11.370 5.079 0.104 519 H SER 77 H SER 77 11.681 1.964 -4.482 520 HA SER 77 HA SER 77 14.364 1.206 -4.291 521 HB2 SER 77 1HB SER 77 12.536 -0.312 -4.997 522 HB3 SER 77 2HB SER 77 12.425 0.560 -6.526 523 HG SER 77 HG SER 77 14.300 -1.276 -5.661 524 H LYS 78 H LYS 78 12.675 3.047 -6.807 525 HA LYS 78 HA LYS 78 14.421 3.326 -8.801 526 HB2 LYS 78 1HB LYS 78 12.858 5.487 -7.403 527 HB3 LYS 78 2HB LYS 78 13.795 5.815 -8.855 528 HG2 LYS 78 1HG LYS 78 11.880 3.551 -8.930 529 HG3 LYS 78 2HG LYS 78 11.229 5.192 -8.948 530 HD2 LYS 78 1HD LYS 78 12.896 5.640 -10.834 531 HD3 LYS 78 2HD LYS 78 13.083 3.887 -10.922 532 HE2 LYS 78 1HE LYS 78 10.361 5.130 -10.995 533 HE3 LYS 78 2HE LYS 78 11.351 5.068 -12.452 534 HZ1 LYS 78 1HZ LYS 78 11.548 2.625 -12.045 535 HZ2 LYS 78 2HZ LYS 78 9.991 3.151 -12.443 536 HZ3 LYS 78 3HZ LYS 78 10.373 2.782 -10.837 537 H SER 79 H SER 79 16.563 3.457 -8.803 538 HA SER 79 HA SER 79 18.027 4.657 -6.647 539 HB2 SER 79 1HB SER 79 19.971 3.841 -7.704 540 HB3 SER 79 2HB SER 79 18.735 2.642 -8.084 541 HG SER 79 HG SER 79 19.358 3.009 -10.062 542 H GLY 80 H GLY 80 19.920 6.173 -7.278 543 HA2 GLY 80 1HA GLY 80 20.238 7.886 -9.251 544 HA3 GLY 80 2HA GLY 80 18.704 8.469 -8.623 545 HA PRO 81 HA PRO 81 22.437 10.325 -6.354 546 HB2 PRO 81 1HB PRO 81 22.265 12.841 -7.360 547 HB3 PRO 81 2HB PRO 81 23.243 11.572 -8.108 548 HG2 PRO 81 1HG PRO 81 20.508 12.539 -8.847 549 HG3 PRO 81 2HG PRO 81 21.877 12.141 -9.902 550 HD2 PRO 81 1HD PRO 81 19.808 10.442 -9.496 551 HD3 PRO 81 2HD PRO 81 21.465 9.876 -9.792 552 H SER 82 H SER 82 22.330 12.186 -4.837 553 HA SER 82 HA SER 82 19.549 12.718 -4.019 554 HB2 SER 82 1HB SER 82 20.714 11.251 -2.432 555 HB3 SER 82 2HB SER 82 22.002 12.444 -2.263 556 HG SER 82 HG SER 82 20.188 13.899 -1.604 557 H SER 83 H SER 83 18.950 14.780 -3.600 558 HA SER 83 HA SER 83 20.178 16.928 -4.750 559 HB2 SER 83 1HB SER 83 17.916 17.143 -4.004 560 HB3 SER 83 2HB SER 83 18.373 16.839 -2.328 561 HG SER 83 HG SER 83 19.330 19.054 -3.811 562 H GLY 84 H GLY 84 21.656 18.475 -4.181 563 HA2 GLY 84 1HA GLY 84 22.663 18.923 -1.599 564 HA3 GLY 84 2HA GLY 84 23.714 17.766 -2.403 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -19.365 46.116 -12.996 2 HA2 GLY 1 1HA GLY 1 -21.378 44.194 -13.678 3 HA3 GLY 1 2HA GLY 1 -19.712 44.203 -14.240 4 H SER 2 H SER 2 -21.110 41.871 -13.535 5 HA SER 2 HA SER 2 -19.936 41.107 -10.955 6 HB2 SER 2 1HB SER 2 -21.520 39.361 -10.830 7 HB3 SER 2 2HB SER 2 -22.421 40.723 -11.496 8 HG SER 2 HG SER 2 -22.747 38.712 -12.622 9 H SER 3 H SER 3 -18.553 39.368 -10.757 10 HA SER 3 HA SER 3 -17.325 38.473 -13.272 11 HB2 SER 3 1HB SER 3 -15.298 38.149 -12.086 12 HB3 SER 3 2HB SER 3 -15.945 39.677 -11.487 13 HG SER 3 HG SER 3 -16.496 38.726 -9.610 14 H GLY 4 H GLY 4 -16.463 36.234 -13.295 15 HA2 GLY 4 1HA GLY 4 -18.291 34.421 -11.843 16 HA3 GLY 4 2HA GLY 4 -17.735 34.131 -13.485 17 H SER 5 H SER 5 -17.185 33.526 -10.216 18 HA SER 5 HA SER 5 -14.536 32.390 -10.836 19 HB2 SER 5 1HB SER 5 -14.289 34.273 -9.302 20 HB3 SER 5 2HB SER 5 -15.486 33.570 -8.213 21 HG SER 5 HG SER 5 -13.551 32.959 -7.399 22 H SER 6 H SER 6 -14.962 30.284 -11.153 23 HA SER 6 HA SER 6 -17.007 28.779 -10.041 24 HB2 SER 6 1HB SER 6 -15.758 27.959 -11.944 25 HB3 SER 6 2HB SER 6 -14.274 27.893 -10.994 26 HG SER 6 HG SER 6 -16.613 26.380 -10.448 27 H GLY 7 H GLY 7 -17.206 27.455 -8.261 28 HA2 GLY 7 1HA GLY 7 -14.989 27.236 -6.383 29 HA3 GLY 7 2HA GLY 7 -16.390 28.136 -5.820 30 H ARG 8 H ARG 8 -15.408 24.996 -7.145 31 HA ARG 8 HA ARG 8 -16.833 23.545 -5.182 32 HB2 ARG 8 1HB ARG 8 -18.615 22.593 -6.473 33 HB3 ARG 8 2HB ARG 8 -18.741 24.343 -6.590 34 HG2 ARG 8 1HG ARG 8 -17.797 24.321 -8.797 35 HG3 ARG 8 2HG ARG 8 -17.470 22.590 -8.680 36 HD2 ARG 8 1HD ARG 8 -19.455 22.921 -9.996 37 HD3 ARG 8 2HD ARG 8 -19.906 22.195 -8.454 38 HE ARG 8 HE ARG 8 -21.159 24.047 -8.015 39 HH11 ARG 8 2HH1 ARG 8 -18.802 24.853 -10.447 40 HH12 ARG 8 1HH1 ARG 8 -19.429 26.446 -10.713 41 HH21 ARG 8 2HH2 ARG 8 -21.994 26.142 -8.356 42 HH22 ARG 8 1HH2 ARG 8 -21.244 27.178 -9.522 43 H TYR 9 H TYR 9 -16.302 21.373 -5.193 44 HA TYR 9 HA TYR 9 -14.658 20.412 -7.431 45 HB2 TYR 9 1HB TYR 9 -13.239 19.261 -5.605 46 HB3 TYR 9 2HB TYR 9 -12.981 20.977 -5.899 47 HD1 TYR 9 1HD TYR 9 -14.181 22.632 -4.348 48 HD2 TYR 9 2HD TYR 9 -13.758 18.493 -3.460 49 HE1 TYR 9 1HE TYR 9 -14.599 23.106 -1.971 50 HE2 TYR 9 2HE TYR 9 -14.176 18.955 -1.081 51 HH TYR 9 HH TYR 9 -15.562 21.121 0.158 52 HA PRO 10 HA PRO 10 -16.976 16.694 -7.177 53 HB2 PRO 10 1HB PRO 10 -15.120 14.851 -7.906 54 HB3 PRO 10 2HB PRO 10 -15.839 15.994 -9.047 55 HG2 PRO 10 1HG PRO 10 -13.195 16.123 -7.649 56 HG3 PRO 10 2HG PRO 10 -13.586 16.493 -9.338 57 HD2 PRO 10 1HD PRO 10 -13.268 18.419 -7.462 58 HD3 PRO 10 2HD PRO 10 -14.394 18.589 -8.825 59 H THR 11 H THR 11 -17.196 14.658 -6.058 60 HA THR 11 HA THR 11 -15.309 13.987 -3.977 61 HB THR 11 HB THR 11 -18.104 14.810 -3.172 62 HG1 THR 11 1HG THR 11 -16.655 16.439 -1.985 63 HG21 THR 11 1HG2 THR 11 -16.601 14.754 -0.910 64 HG22 THR 11 2HG2 THR 11 -15.880 13.432 -1.828 65 HG23 THR 11 3HG2 THR 11 -17.606 13.418 -1.469 66 H ASN 12 H ASN 12 -15.404 11.867 -3.458 67 HA ASN 12 HA ASN 12 -17.816 10.328 -3.917 68 HB2 ASN 12 1HB ASN 12 -16.415 10.477 -6.103 69 HB3 ASN 12 2HB ASN 12 -15.323 9.362 -5.287 70 HD21 ASN 12 1HD2 ASN 12 -16.057 7.283 -4.760 71 HD22 ASN 12 2HD2 ASN 12 -17.424 6.583 -5.553 72 H ASN 13 H ASN 13 -17.925 8.505 -2.673 73 HA ASN 13 HA ASN 13 -16.551 8.286 -0.334 74 HB2 ASN 13 1HB ASN 13 -17.580 5.905 -1.890 75 HB3 ASN 13 2HB ASN 13 -17.378 6.024 -0.145 76 HD21 ASN 13 1HD2 ASN 13 -19.134 6.457 0.965 77 HD22 ASN 13 2HD2 ASN 13 -20.551 7.243 0.366 78 H PHE 14 H PHE 14 -14.758 7.206 0.433 79 HA PHE 14 HA PHE 14 -12.964 6.049 -1.594 80 HB2 PHE 14 1HB PHE 14 -11.098 6.972 -0.051 81 HB3 PHE 14 2HB PHE 14 -11.921 8.089 -1.135 82 HD1 PHE 14 2HD PHE 14 -13.561 9.689 -0.254 83 HD2 PHE 14 1HD PHE 14 -11.306 7.152 2.315 84 HE1 PHE 14 2HE PHE 14 -14.144 11.117 1.662 85 HE2 PHE 14 1HE PHE 14 -11.887 8.576 4.236 86 HZ PHE 14 HZ PHE 14 -13.306 10.562 3.911 87 H GLY 15 H GLY 15 -13.170 3.917 -1.161 88 HA2 GLY 15 1HA GLY 15 -12.136 2.986 1.395 89 HA3 GLY 15 2HA GLY 15 -13.794 2.529 1.032 90 H ASN 16 H ASN 16 -10.998 2.775 -1.138 91 HA ASN 16 HA ASN 16 -11.018 -0.135 -1.462 92 HB2 ASN 16 1HB ASN 16 -10.858 1.579 -3.916 93 HB3 ASN 16 2HB ASN 16 -11.337 -0.109 -3.766 94 HD21 ASN 16 1HD2 ASN 16 -13.231 -0.011 -1.823 95 HD22 ASN 16 2HD2 ASN 16 -14.583 0.920 -2.361 96 H CYS 17 H CYS 17 -9.106 -0.926 -2.660 97 HA CYS 17 HA CYS 17 -6.728 -0.005 -1.587 98 HB2 CYS 17 1HB CYS 17 -7.033 -2.247 -2.580 99 HB3 CYS 17 2HB CYS 17 -7.083 -1.519 -4.183 100 H THR 18 H THR 18 -4.997 1.203 -2.386 101 HA THR 18 HA THR 18 -5.771 3.231 -4.347 102 HB THR 18 HB THR 18 -3.332 3.208 -2.561 103 HG1 THR 18 1HG THR 18 -5.779 3.408 -1.769 104 HG21 THR 18 1HG2 THR 18 -2.802 4.821 -4.077 105 HG22 THR 18 2HG2 THR 18 -3.839 5.794 -3.033 106 HG23 THR 18 3HG2 THR 18 -4.483 5.107 -4.524 107 H GLY 19 H GLY 19 -4.813 0.405 -4.932 108 HA2 GLY 19 1HA GLY 19 -2.677 1.205 -6.806 109 HA3 GLY 19 2HA GLY 19 -2.570 -0.294 -5.894 110 H CYS 20 H CYS 20 -5.095 -1.304 -6.083 111 HA CYS 20 HA CYS 20 -5.394 -1.712 -8.986 112 HB2 CYS 20 1HB CYS 20 -6.276 -3.969 -8.397 113 HB3 CYS 20 2HB CYS 20 -4.596 -3.730 -7.928 114 H SER 21 H SER 21 -6.836 -0.361 -6.324 115 HA SER 21 HA SER 21 -8.918 0.435 -5.869 116 HB2 SER 21 1HB SER 21 -9.062 0.072 -8.853 117 HB3 SER 21 2HB SER 21 -10.459 0.644 -7.941 118 HG SER 21 HG SER 21 -8.244 1.988 -7.207 119 H ALA 22 H ALA 22 -8.563 -2.169 -5.163 120 HA ALA 22 HA ALA 22 -11.065 -3.504 -5.956 121 HB1 ALA 22 1HB ALA 22 -8.390 -4.531 -5.152 122 HB2 ALA 22 2HB ALA 22 -9.816 -5.500 -4.780 123 HB3 ALA 22 3HB ALA 22 -9.460 -5.059 -6.450 124 H THR 23 H THR 23 -12.593 -2.866 -4.547 125 HA THR 23 HA THR 23 -12.402 -1.957 -1.998 126 HB THR 23 HB THR 23 -14.589 -3.873 -2.807 127 HG1 THR 23 1HG THR 23 -13.982 -1.290 -3.712 128 HG21 THR 23 1HG2 THR 23 -15.653 -1.689 -1.471 129 HG22 THR 23 2HG2 THR 23 -14.152 -2.025 -0.608 130 HG23 THR 23 3HG2 THR 23 -15.366 -3.291 -0.793 131 H PHE 24 H PHE 24 -12.392 -2.807 0.076 132 HA PHE 24 HA PHE 24 -11.215 -5.460 0.293 133 HB2 PHE 24 1HB PHE 24 -11.704 -3.481 2.520 134 HB3 PHE 24 2HB PHE 24 -10.590 -4.844 2.520 135 HD1 PHE 24 2HD PHE 24 -11.187 -1.449 1.273 136 HD2 PHE 24 1HD PHE 24 -8.441 -4.694 1.475 137 HE1 PHE 24 2HE PHE 24 -9.388 0.029 0.478 138 HE2 PHE 24 1HE PHE 24 -6.637 -3.222 0.681 139 HZ PHE 24 HZ PHE 24 -7.110 -0.857 0.180 140 H SER 25 H SER 25 -13.092 -6.697 -0.187 141 HA SER 25 HA SER 25 -15.499 -6.474 1.302 142 HB2 SER 25 1HB SER 25 -15.986 -8.749 0.334 143 HB3 SER 25 2HB SER 25 -15.580 -7.517 -0.861 144 HG SER 25 HG SER 25 -13.597 -9.208 0.215 145 H VAL 26 H VAL 26 -16.353 -8.454 2.536 146 HA VAL 26 HA VAL 26 -15.093 -8.712 4.949 147 HB VAL 26 HB VAL 26 -16.410 -10.790 5.302 148 HG11 VAL 26 1HG1 VAL 26 -17.576 -8.251 4.305 149 HG12 VAL 26 2HG1 VAL 26 -18.670 -9.613 4.556 150 HG13 VAL 26 3HG1 VAL 26 -17.694 -9.005 5.894 151 HG21 VAL 26 1HG2 VAL 26 -16.808 -12.057 3.511 152 HG22 VAL 26 2HG2 VAL 26 -18.070 -10.899 3.091 153 HG23 VAL 26 3HG2 VAL 26 -16.456 -10.732 2.401 154 H LEU 27 H LEU 27 -14.592 -10.637 2.049 155 HA LEU 27 HA LEU 27 -12.769 -12.442 3.402 156 HB2 LEU 27 1HB LEU 27 -13.993 -12.256 0.707 157 HB3 LEU 27 2HB LEU 27 -12.449 -13.096 0.841 158 HG LEU 27 HG LEU 27 -14.353 -14.637 0.910 159 HD11 LEU 27 1HD1 LEU 27 -12.259 -14.428 2.866 160 HD12 LEU 27 2HD1 LEU 27 -12.933 -15.862 2.093 161 HD13 LEU 27 3HD1 LEU 27 -13.675 -15.219 3.558 162 HD21 LEU 27 1HD2 LEU 27 -15.919 -13.011 1.992 163 HD22 LEU 27 2HD2 LEU 27 -15.093 -13.324 3.518 164 HD23 LEU 27 3HD2 LEU 27 -15.939 -14.631 2.689 165 H LYS 28 H LYS 28 -12.059 -9.660 3.397 166 HA LYS 28 HA LYS 28 -9.383 -9.912 2.330 167 HB2 LYS 28 1HB LYS 28 -11.002 -8.883 0.547 168 HB3 LYS 28 2HB LYS 28 -10.868 -7.434 1.534 169 HG2 LYS 28 1HG LYS 28 -8.493 -7.357 1.204 170 HG3 LYS 28 2HG LYS 28 -8.520 -8.911 0.365 171 HD2 LYS 28 1HD LYS 28 -10.248 -7.628 -1.180 172 HD3 LYS 28 2HD LYS 28 -9.371 -6.220 -0.575 173 HE2 LYS 28 1HE LYS 28 -8.104 -6.702 -2.412 174 HE3 LYS 28 2HE LYS 28 -7.275 -7.695 -1.213 175 HZ1 LYS 28 1HZ LYS 28 -9.475 -9.024 -2.514 176 HZ2 LYS 28 2HZ LYS 28 -7.899 -9.567 -2.231 177 HZ3 LYS 28 3HZ LYS 28 -8.228 -8.589 -3.571 178 H LYS 29 H LYS 29 -7.975 -8.123 3.034 179 HA LYS 29 HA LYS 29 -9.007 -6.755 5.429 180 HB2 LYS 29 1HB LYS 29 -6.283 -8.037 5.135 181 HB3 LYS 29 2HB LYS 29 -6.853 -7.141 6.538 182 HG2 LYS 29 1HG LYS 29 -7.212 -9.277 7.243 183 HG3 LYS 29 2HG LYS 29 -8.774 -8.931 6.498 184 HD2 LYS 29 1HD LYS 29 -8.234 -10.161 4.559 185 HD3 LYS 29 2HD LYS 29 -6.521 -10.222 4.981 186 HE2 LYS 29 1HE LYS 29 -8.546 -11.444 6.805 187 HE3 LYS 29 2HE LYS 29 -8.043 -12.310 5.355 188 HZ1 LYS 29 1HZ LYS 29 -6.694 -12.967 7.219 189 HZ2 LYS 29 2HZ LYS 29 -6.267 -11.362 7.538 190 HZ3 LYS 29 3HZ LYS 29 -5.736 -12.111 6.118 191 H ARG 30 H ARG 30 -8.831 -4.627 5.268 192 HA ARG 30 HA ARG 30 -7.319 -3.399 3.173 193 HB2 ARG 30 1HB ARG 30 -9.388 -2.374 3.789 194 HB3 ARG 30 2HB ARG 30 -8.910 -2.282 5.479 195 HG2 ARG 30 1HG ARG 30 -7.562 -0.463 5.146 196 HG3 ARG 30 2HG ARG 30 -7.264 -0.859 3.452 197 HD2 ARG 30 1HD ARG 30 -9.185 0.141 2.737 198 HD3 ARG 30 2HD ARG 30 -10.044 -0.190 4.241 199 HE ARG 30 HE ARG 30 -8.530 2.153 3.600 200 HH11 ARG 30 2HH1 ARG 30 -9.623 0.110 6.198 201 HH12 ARG 30 1HH1 ARG 30 -9.542 1.362 7.392 202 HH21 ARG 30 2HH2 ARG 30 -8.419 3.811 5.162 203 HH22 ARG 30 1HH2 ARG 30 -8.858 3.468 6.801 204 H ARG 31 H ARG 31 -5.151 -3.835 3.504 205 HA ARG 31 HA ARG 31 -3.845 -3.378 6.001 206 HB2 ARG 31 1HB ARG 31 -3.188 -4.817 3.832 207 HB3 ARG 31 2HB ARG 31 -2.267 -3.359 3.487 208 HG2 ARG 31 1HG ARG 31 -1.190 -3.559 5.701 209 HG3 ARG 31 2HG ARG 31 -2.054 -5.078 5.949 210 HD2 ARG 31 1HD ARG 31 -0.863 -6.169 4.269 211 HD3 ARG 31 2HD ARG 31 -0.349 -4.657 3.522 212 HE ARG 31 HE ARG 31 1.433 -4.595 4.957 213 HH11 ARG 31 2HH1 ARG 31 -0.900 -6.896 6.132 214 HH12 ARG 31 1HH1 ARG 31 0.136 -7.506 7.380 215 HH21 ARG 31 2HH2 ARG 31 2.807 -5.390 6.596 216 HH22 ARG 31 1HH2 ARG 31 2.244 -6.648 7.643 217 H SER 32 H SER 32 -1.959 -1.858 6.177 218 HA SER 32 HA SER 32 -2.533 0.698 4.829 219 HB2 SER 32 1HB SER 32 -2.001 0.165 7.747 220 HB3 SER 32 2HB SER 32 -1.729 1.755 7.035 221 HG SER 32 HG SER 32 -3.961 1.636 6.319 222 H CYS 33 H CYS 33 -0.858 1.522 3.776 223 HA CYS 33 HA CYS 33 1.610 0.287 3.536 224 HB2 CYS 33 1HB CYS 33 0.634 1.992 1.971 225 HB3 CYS 33 2HB CYS 33 1.092 3.237 3.129 226 H SER 34 H SER 34 3.762 1.248 4.078 227 HA SER 34 HA SER 34 3.758 2.075 6.895 228 HB2 SER 34 1HB SER 34 5.644 0.503 5.194 229 HB3 SER 34 2HB SER 34 6.306 1.420 6.547 230 HG SER 34 HG SER 34 4.505 -0.735 6.564 231 H ASN 35 H ASN 35 4.829 2.997 3.705 232 HA ASN 35 HA ASN 35 6.410 5.217 4.703 233 HB2 ASN 35 1HB ASN 35 7.264 4.079 2.757 234 HB3 ASN 35 2HB ASN 35 5.740 4.296 1.902 235 HD21 ASN 35 1HD2 ASN 35 6.202 5.588 0.260 236 HD22 ASN 35 2HD2 ASN 35 7.000 7.116 0.378 237 H CYS 36 H CYS 36 3.963 5.177 2.124 238 HA CYS 36 HA CYS 36 3.207 7.864 2.545 239 HB2 CYS 36 1HB CYS 36 1.512 7.489 0.902 240 HB3 CYS 36 2HB CYS 36 2.917 6.547 0.414 241 H GLY 37 H GLY 37 1.923 4.807 3.721 242 HA2 GLY 37 1HA GLY 37 0.622 4.438 5.605 243 HA3 GLY 37 2HA GLY 37 0.530 6.177 5.843 244 H ASN 38 H ASN 38 -0.377 4.413 2.925 245 HA ASN 38 HA ASN 38 -3.112 5.431 3.267 246 HB2 ASN 38 1HB ASN 38 -1.739 4.465 0.749 247 HB3 ASN 38 2HB ASN 38 -3.347 5.178 0.845 248 HD21 ASN 38 1HD2 ASN 38 -1.133 6.094 -0.713 249 HD22 ASN 38 2HD2 ASN 38 -0.752 7.689 -0.167 250 H SER 39 H SER 39 -4.625 3.894 1.747 251 HA SER 39 HA SER 39 -4.561 1.328 3.132 252 HB2 SER 39 1HB SER 39 -6.867 1.068 2.351 253 HB3 SER 39 2HB SER 39 -6.658 2.635 3.134 254 HG SER 39 HG SER 39 -6.318 3.459 0.934 255 H PHE 40 H PHE 40 -4.480 -0.648 2.122 256 HA PHE 40 HA PHE 40 -4.465 -0.863 -0.752 257 HB2 PHE 40 1HB PHE 40 -1.938 -1.225 0.854 258 HB3 PHE 40 2HB PHE 40 -2.161 -1.957 -0.732 259 HD1 PHE 40 1HD PHE 40 -2.613 -0.441 -2.702 260 HD2 PHE 40 2HD PHE 40 -1.258 0.998 1.068 261 HE1 PHE 40 1HE PHE 40 -1.860 1.643 -3.771 262 HE2 PHE 40 2HE PHE 40 -0.504 3.084 0.005 263 HZ PHE 40 HZ PHE 40 -0.805 3.410 -2.417 264 H CYS 41 H CYS 41 -4.203 -3.126 -1.468 265 HA CYS 41 HA CYS 41 -5.589 -4.892 0.355 266 HB2 CYS 41 1HB CYS 41 -5.780 -6.395 -1.548 267 HB3 CYS 41 2HB CYS 41 -6.223 -4.762 -2.033 268 H SER 42 H SER 42 -4.786 -7.342 0.036 269 HA SER 42 HA SER 42 -2.196 -7.401 1.318 270 HB2 SER 42 1HB SER 42 -4.322 -8.834 1.863 271 HB3 SER 42 2HB SER 42 -3.726 -9.871 0.567 272 HG SER 42 HG SER 42 -2.072 -10.457 1.774 273 H ARG 43 H ARG 43 -2.607 -6.790 -1.636 274 HA ARG 43 HA ARG 43 -0.629 -8.731 -2.630 275 HB2 ARG 43 1HB ARG 43 -2.977 -7.559 -4.128 276 HB3 ARG 43 2HB ARG 43 -1.670 -8.454 -4.891 277 HG2 ARG 43 1HG ARG 43 -3.372 -9.607 -2.701 278 HG3 ARG 43 2HG ARG 43 -3.776 -9.748 -4.413 279 HD2 ARG 43 1HD ARG 43 -1.073 -10.564 -3.422 280 HD3 ARG 43 2HD ARG 43 -2.450 -11.652 -3.248 281 HE ARG 43 HE ARG 43 -2.042 -10.603 -5.911 282 HH11 ARG 43 2HH1 ARG 43 -1.375 -13.175 -3.661 283 HH12 ARG 43 1HH1 ARG 43 -1.005 -14.334 -4.895 284 HH21 ARG 43 2HH2 ARG 43 -1.558 -12.120 -7.544 285 HH22 ARG 43 1HH2 ARG 43 -1.109 -13.733 -7.103 286 H CYS 44 H CYS 44 -1.779 -5.451 -2.497 287 HA CYS 44 HA CYS 44 0.329 -4.490 -4.262 288 HB2 CYS 44 1HB CYS 44 -1.962 -3.139 -2.841 289 HB3 CYS 44 2HB CYS 44 -0.710 -2.227 -3.678 290 H CYS 45 H CYS 45 -0.561 -4.451 -0.856 291 HA CYS 45 HA CYS 45 1.782 -2.866 -0.171 292 HB2 CYS 45 1HB CYS 45 -0.372 -2.439 0.970 293 HB3 CYS 45 2HB CYS 45 -0.335 -4.072 1.622 294 HG CYS 45 HG CYS 45 2.001 -3.620 3.135 295 H SER 46 H SER 46 2.412 -5.308 -1.354 296 HA SER 46 HA SER 46 3.500 -6.833 0.923 297 HB2 SER 46 1HB SER 46 1.787 -7.892 -0.804 298 HB3 SER 46 2HB SER 46 3.244 -8.085 -1.778 299 HG SER 46 HG SER 46 2.427 -9.488 0.389 300 H PHE 47 H PHE 47 4.809 -4.573 -0.042 301 HA PHE 47 HA PHE 47 7.111 -5.749 -1.457 302 HB2 PHE 47 1HB PHE 47 6.036 -2.926 -1.525 303 HB3 PHE 47 2HB PHE 47 7.609 -3.379 -2.174 304 HD1 PHE 47 2HD PHE 47 7.737 -4.954 -4.093 305 HD2 PHE 47 1HD PHE 47 4.046 -3.338 -2.722 306 HE1 PHE 47 2HE PHE 47 6.680 -5.568 -6.228 307 HE2 PHE 47 1HE PHE 47 2.982 -3.950 -4.855 308 HZ PHE 47 HZ PHE 47 4.300 -5.065 -6.611 309 H LYS 48 H LYS 48 8.769 -6.076 -0.145 310 HA LYS 48 HA LYS 48 8.996 -4.702 2.376 311 HB2 LYS 48 1HB LYS 48 10.652 -6.807 0.995 312 HB3 LYS 48 2HB LYS 48 11.155 -6.074 2.513 313 HG2 LYS 48 1HG LYS 48 8.999 -6.823 3.510 314 HG3 LYS 48 2HG LYS 48 8.667 -7.691 2.009 315 HD2 LYS 48 1HD LYS 48 9.624 -9.362 3.258 316 HD3 LYS 48 2HD LYS 48 11.051 -8.709 2.450 317 HE2 LYS 48 1HE LYS 48 11.725 -8.878 4.669 318 HE3 LYS 48 2HE LYS 48 11.254 -7.186 4.519 319 HZ1 LYS 48 1HZ LYS 48 10.423 -8.414 6.541 320 HZ2 LYS 48 2HZ LYS 48 9.388 -9.261 5.505 321 HZ3 LYS 48 3HZ LYS 48 9.252 -7.581 5.647 322 H VAL 49 H VAL 49 10.266 -3.017 2.872 323 HA VAL 49 HA VAL 49 12.481 -2.276 1.135 324 HB VAL 49 HB VAL 49 11.755 0.021 0.844 325 HG11 VAL 49 1HG1 VAL 49 11.157 -1.381 -0.960 326 HG12 VAL 49 2HG1 VAL 49 9.803 -2.078 -0.067 327 HG13 VAL 49 3HG1 VAL 49 9.731 -0.403 -0.616 328 HG21 VAL 49 1HG2 VAL 49 10.345 -0.054 2.990 329 HG22 VAL 49 2HG2 VAL 49 9.747 0.910 1.639 330 HG23 VAL 49 3HG2 VAL 49 9.061 -0.683 1.958 331 HA PRO 50 HA PRO 50 14.344 -1.084 4.930 332 HB2 PRO 50 1HB PRO 50 16.086 0.807 4.060 333 HB3 PRO 50 2HB PRO 50 16.315 -0.920 3.761 334 HG2 PRO 50 1HG PRO 50 15.213 1.187 1.943 335 HG3 PRO 50 2HG PRO 50 16.351 -0.123 1.577 336 HD2 PRO 50 1HD PRO 50 13.718 -0.267 0.963 337 HD3 PRO 50 2HD PRO 50 14.677 -1.697 1.397 338 H LYS 51 H LYS 51 13.569 0.137 6.522 339 HA LYS 51 HA LYS 51 12.215 2.641 5.891 340 HB2 LYS 51 1HB LYS 51 11.430 2.532 8.239 341 HB3 LYS 51 2HB LYS 51 11.012 1.096 7.312 342 HG2 LYS 51 1HG LYS 51 12.790 -0.151 8.347 343 HG3 LYS 51 2HG LYS 51 13.361 1.294 9.186 344 HD2 LYS 51 1HD LYS 51 10.684 -0.046 9.576 345 HD3 LYS 51 2HD LYS 51 12.059 -0.133 10.679 346 HE2 LYS 51 1HE LYS 51 10.839 1.537 11.665 347 HE3 LYS 51 2HE LYS 51 11.876 2.485 10.601 348 HZ1 LYS 51 1HZ LYS 51 10.106 3.250 9.542 349 HZ2 LYS 51 2HZ LYS 51 9.114 2.473 10.670 350 HZ3 LYS 51 3HZ LYS 51 9.533 1.689 9.231 351 H SER 52 H SER 52 14.997 2.726 5.589 352 HA SER 52 HA SER 52 15.828 4.370 7.889 353 HB2 SER 52 1HB SER 52 17.169 2.257 7.298 354 HB3 SER 52 2HB SER 52 17.720 3.152 5.882 355 HG SER 52 HG SER 52 18.777 3.238 8.236 356 H SER 53 H SER 53 16.037 4.091 4.354 357 HA SER 53 HA SER 53 16.671 6.953 4.200 358 HB2 SER 53 1HB SER 53 16.866 4.772 2.110 359 HB3 SER 53 2HB SER 53 17.262 6.467 1.830 360 HG SER 53 HG SER 53 18.823 4.578 2.818 361 H MET 54 H MET 54 14.441 7.482 4.761 362 HA MET 54 HA MET 54 12.711 7.399 2.384 363 HB2 MET 54 1HB MET 54 11.976 6.818 5.243 364 HB3 MET 54 2HB MET 54 10.772 7.357 4.080 365 HG2 MET 54 1HG MET 54 11.090 5.432 2.730 366 HG3 MET 54 2HG MET 54 12.515 4.949 3.649 367 HE1 MET 54 1HE MET 54 10.848 2.490 3.475 368 HE2 MET 54 2HE MET 54 9.232 2.518 4.181 369 HE3 MET 54 3HE MET 54 9.606 3.539 2.791 370 H GLY 55 H GLY 55 12.948 8.928 5.606 371 HA2 GLY 55 1HA GLY 55 12.822 11.551 4.322 372 HA3 GLY 55 2HA GLY 55 11.536 11.153 5.452 373 H ALA 56 H ALA 56 12.407 10.280 7.626 374 HA ALA 56 HA ALA 56 14.970 11.198 8.484 375 HB1 ALA 56 1HB ALA 56 13.859 12.819 10.197 376 HB2 ALA 56 2HB ALA 56 14.213 13.373 8.560 377 HB3 ALA 56 3HB ALA 56 12.571 12.899 8.995 378 H THR 57 H THR 57 15.483 9.564 9.778 379 HA THR 57 HA THR 57 13.812 8.965 12.068 380 HB THR 57 HB THR 57 12.874 7.440 10.411 381 HG1 THR 57 1HG THR 57 14.526 5.835 12.053 382 HG21 THR 57 1HG2 THR 57 14.231 5.697 9.374 383 HG22 THR 57 2HG2 THR 57 15.678 6.347 10.145 384 HG23 THR 57 3HG2 THR 57 14.828 7.295 8.925 385 H ALA 58 H ALA 58 14.938 8.057 13.772 386 HA ALA 58 HA ALA 58 17.604 8.605 14.090 387 HB1 ALA 58 1HB ALA 58 15.603 7.090 15.531 388 HB2 ALA 58 2HB ALA 58 17.213 6.392 15.716 389 HB3 ALA 58 3HB ALA 58 16.928 8.079 16.144 390 HA PRO 59 HA PRO 59 20.040 5.540 12.110 391 HB2 PRO 59 1HB PRO 59 21.913 4.920 13.976 392 HB3 PRO 59 2HB PRO 59 21.889 6.464 13.115 393 HG2 PRO 59 1HG PRO 59 20.887 5.810 15.859 394 HG3 PRO 59 2HG PRO 59 21.807 7.223 15.311 395 HD2 PRO 59 1HD PRO 59 19.129 7.290 15.703 396 HD3 PRO 59 2HD PRO 59 19.937 8.268 14.460 397 H GLU 60 H GLU 60 18.028 4.725 14.613 398 HA GLU 60 HA GLU 60 18.861 2.085 15.218 399 HB2 GLU 60 1HB GLU 60 16.239 3.538 15.489 400 HB3 GLU 60 2HB GLU 60 16.399 1.842 15.922 401 HG2 GLU 60 1HG GLU 60 18.346 3.763 17.069 402 HG3 GLU 60 2HG GLU 60 16.697 3.772 17.692 403 H ALA 61 H ALA 61 16.296 3.304 13.064 404 HA ALA 61 HA ALA 61 15.746 0.723 11.967 405 HB1 ALA 61 1HB ALA 61 14.740 2.570 10.172 406 HB2 ALA 61 2HB ALA 61 13.876 1.851 11.531 407 HB3 ALA 61 3HB ALA 61 14.680 3.409 11.723 408 H GLN 62 H GLN 62 17.726 -0.065 11.193 409 HA GLN 62 HA GLN 62 18.775 1.319 8.814 410 HB2 GLN 62 1HB GLN 62 20.230 -0.599 10.642 411 HB3 GLN 62 2HB GLN 62 20.918 0.227 9.250 412 HG2 GLN 62 1HG GLN 62 20.086 2.361 10.587 413 HG3 GLN 62 2HG GLN 62 20.281 1.259 11.950 414 HE21 GLN 62 1HE2 GLN 62 21.819 3.375 9.844 415 HE22 GLN 62 2HE2 GLN 62 23.455 3.005 10.258 416 H ARG 63 H ARG 63 18.838 -1.995 10.135 417 HA ARG 63 HA ARG 63 18.658 -3.099 7.472 418 HB2 ARG 63 1HB ARG 63 19.079 -4.189 10.217 419 HB3 ARG 63 2HB ARG 63 18.481 -5.279 8.973 420 HG2 ARG 63 1HG ARG 63 20.740 -5.597 8.796 421 HG3 ARG 63 2HG ARG 63 20.482 -4.335 7.589 422 HD2 ARG 63 1HD ARG 63 20.929 -2.760 9.664 423 HD3 ARG 63 2HD ARG 63 21.784 -4.183 10.260 424 HE ARG 63 HE ARG 63 23.399 -3.863 8.648 425 HH11 ARG 63 2HH1 ARG 63 20.683 -1.769 8.045 426 HH12 ARG 63 1HH1 ARG 63 21.505 -0.833 6.841 427 HH21 ARG 63 2HH2 ARG 63 24.492 -2.638 7.064 428 HH22 ARG 63 1HH2 ARG 63 23.672 -1.329 6.283 429 H GLU 64 H GLU 64 16.548 -2.541 10.191 430 HA GLU 64 HA GLU 64 14.480 -4.226 9.957 431 HB2 GLU 64 1HB GLU 64 14.592 -2.181 11.421 432 HB3 GLU 64 2HB GLU 64 14.063 -1.236 10.036 433 HG2 GLU 64 1HG GLU 64 11.935 -2.043 10.114 434 HG3 GLU 64 2HG GLU 64 12.425 -3.578 10.830 435 H THR 65 H THR 65 12.656 -4.528 8.687 436 HA THR 65 HA THR 65 12.640 -3.131 6.093 437 HB THR 65 HB THR 65 11.820 -5.283 5.078 438 HG1 THR 65 1HG THR 65 12.768 -7.104 6.569 439 HG21 THR 65 1HG2 THR 65 14.083 -6.337 5.012 440 HG22 THR 65 2HG2 THR 65 14.592 -5.211 6.271 441 HG23 THR 65 3HG2 THR 65 14.094 -4.603 4.693 442 H VAL 66 H VAL 66 10.716 -2.370 5.433 443 HA VAL 66 HA VAL 66 8.331 -3.165 6.975 444 HB VAL 66 HB VAL 66 7.432 -0.940 6.682 445 HG11 VAL 66 1HG1 VAL 66 8.944 -1.402 8.597 446 HG12 VAL 66 2HG1 VAL 66 10.276 -0.724 7.659 447 HG13 VAL 66 3HG1 VAL 66 8.911 0.295 8.119 448 HG21 VAL 66 1HG2 VAL 66 9.320 -0.786 4.581 449 HG22 VAL 66 2HG2 VAL 66 8.087 0.393 5.030 450 HG23 VAL 66 3HG2 VAL 66 9.703 0.496 5.730 451 H PHE 67 H PHE 67 6.274 -2.962 5.819 452 HA PHE 67 HA PHE 67 6.596 -3.726 3.004 453 HB2 PHE 67 1HB PHE 67 4.345 -4.203 4.963 454 HB3 PHE 67 2HB PHE 67 4.259 -4.623 3.256 455 HD1 PHE 67 2HD PHE 67 5.762 -6.365 2.339 456 HD2 PHE 67 1HD PHE 67 5.520 -5.553 6.510 457 HE1 PHE 67 2HE PHE 67 6.821 -8.533 2.819 458 HE2 PHE 67 1HE PHE 67 6.580 -7.719 6.997 459 HZ PHE 67 HZ PHE 67 7.231 -9.213 5.150 460 H VAL 68 H VAL 68 6.180 -2.232 1.531 461 HA VAL 68 HA VAL 68 4.254 -0.098 2.183 462 HB VAL 68 HB VAL 68 5.399 1.276 0.488 463 HG11 VAL 68 1HG1 VAL 68 6.367 1.981 2.375 464 HG12 VAL 68 2HG1 VAL 68 6.588 0.339 2.981 465 HG13 VAL 68 3HG1 VAL 68 7.763 1.033 1.863 466 HG21 VAL 68 1HG2 VAL 68 6.330 -1.003 -0.562 467 HG22 VAL 68 2HG2 VAL 68 7.103 0.560 -0.827 468 HG23 VAL 68 3HG2 VAL 68 7.733 -0.539 0.400 469 H CYS 69 H CYS 69 3.519 0.939 -0.085 470 HA CYS 69 HA CYS 69 2.132 -1.240 -1.447 471 HB2 CYS 69 1HB CYS 69 0.635 0.455 -2.297 472 HB3 CYS 69 2HB CYS 69 0.848 0.707 -0.567 473 H ALA 70 H ALA 70 2.042 -1.394 -3.733 474 HA ALA 70 HA ALA 70 4.381 -1.398 -5.105 475 HB1 ALA 70 1HB ALA 70 3.155 -1.647 -7.103 476 HB2 ALA 70 2HB ALA 70 2.139 -2.327 -5.832 477 HB3 ALA 70 3HB ALA 70 1.792 -0.721 -6.474 478 H SER 71 H SER 71 2.039 1.277 -5.058 479 HA SER 71 HA SER 71 3.258 3.006 -6.823 480 HB2 SER 71 1HB SER 71 1.041 3.278 -5.541 481 HB3 SER 71 2HB SER 71 2.018 3.987 -4.256 482 HG SER 71 HG SER 71 2.760 5.133 -6.511 483 H CYS 72 H CYS 72 3.921 2.587 -3.366 484 HA CYS 72 HA CYS 72 6.000 4.576 -3.358 485 HB2 CYS 72 1HB CYS 72 5.148 2.526 -1.307 486 HB3 CYS 72 2HB CYS 72 6.419 3.714 -1.035 487 H ASN 73 H ASN 73 6.054 1.074 -2.666 488 HA ASN 73 HA ASN 73 8.670 0.529 -2.549 489 HB2 ASN 73 1HB ASN 73 7.076 -1.261 -2.416 490 HB3 ASN 73 2HB ASN 73 6.578 -1.016 -4.087 491 HD21 ASN 73 1HD2 ASN 73 7.635 -2.046 -5.669 492 HD22 ASN 73 2HD2 ASN 73 9.023 -3.048 -5.436 493 H GLN 74 H GLN 74 6.904 1.169 -5.545 494 HA GLN 74 HA GLN 74 9.073 0.676 -7.295 495 HB2 GLN 74 1HB GLN 74 6.416 2.006 -7.513 496 HB3 GLN 74 2HB GLN 74 7.602 2.332 -8.770 497 HG2 GLN 74 1HG GLN 74 6.737 -0.428 -7.946 498 HG3 GLN 74 2HG GLN 74 6.029 0.478 -9.283 499 HE21 GLN 74 1HE2 GLN 74 6.727 -1.381 -10.541 500 HE22 GLN 74 2HE2 GLN 74 8.351 -1.436 -11.128 501 H THR 75 H THR 75 7.804 3.642 -5.822 502 HA THR 75 HA THR 75 9.609 5.411 -7.086 503 HB THR 75 HB THR 75 8.158 5.746 -4.454 504 HG1 THR 75 1HG THR 75 7.488 6.506 -7.120 505 HG21 THR 75 1HG2 THR 75 9.000 7.815 -4.286 506 HG22 THR 75 2HG2 THR 75 8.748 8.141 -6.001 507 HG23 THR 75 3HG2 THR 75 10.204 7.301 -5.468 508 H LEU 76 H LEU 76 9.677 3.797 -3.925 509 HA LEU 76 HA LEU 76 12.030 4.970 -2.961 510 HB2 LEU 76 1HB LEU 76 10.927 2.219 -2.406 511 HB3 LEU 76 2HB LEU 76 12.155 3.043 -1.447 512 HG LEU 76 HG LEU 76 9.311 3.992 -1.791 513 HD11 LEU 76 1HD1 LEU 76 9.658 1.824 -0.514 514 HD12 LEU 76 2HD1 LEU 76 8.830 3.126 0.339 515 HD13 LEU 76 3HD1 LEU 76 10.528 2.790 0.678 516 HD21 LEU 76 1HD2 LEU 76 11.688 5.012 -0.285 517 HD22 LEU 76 2HD2 LEU 76 10.054 5.329 0.296 518 HD23 LEU 76 3HD2 LEU 76 10.547 5.892 -1.302 519 H SER 77 H SER 77 11.552 1.903 -4.700 520 HA SER 77 HA SER 77 14.144 0.976 -4.745 521 HB2 SER 77 1HB SER 77 12.037 -0.138 -5.673 522 HB3 SER 77 2HB SER 77 12.323 0.791 -7.145 523 HG SER 77 HG SER 77 14.579 -0.449 -6.314 524 H LYS 78 H LYS 78 12.637 3.379 -6.848 525 HA LYS 78 HA LYS 78 15.166 3.782 -8.259 526 HB2 LYS 78 1HB LYS 78 13.901 5.143 -9.810 527 HB3 LYS 78 2HB LYS 78 13.069 3.613 -9.566 528 HG2 LYS 78 1HG LYS 78 11.333 4.582 -8.416 529 HG3 LYS 78 2HG LYS 78 12.300 5.969 -7.910 530 HD2 LYS 78 1HD LYS 78 10.978 6.935 -9.521 531 HD3 LYS 78 2HD LYS 78 12.375 6.457 -10.489 532 HE2 LYS 78 1HE LYS 78 9.918 4.746 -10.159 533 HE3 LYS 78 2HE LYS 78 10.123 5.902 -11.473 534 HZ1 LYS 78 1HZ LYS 78 11.141 4.276 -12.560 535 HZ2 LYS 78 2HZ LYS 78 11.207 3.284 -11.192 536 HZ3 LYS 78 3HZ LYS 78 12.428 4.421 -11.471 537 H SER 79 H SER 79 15.293 4.508 -5.607 538 HA SER 79 HA SER 79 14.885 7.386 -5.451 539 HB2 SER 79 1HB SER 79 15.535 5.222 -3.505 540 HB3 SER 79 2HB SER 79 16.058 6.861 -3.116 541 HG SER 79 HG SER 79 13.828 6.079 -2.471 542 H GLY 80 H GLY 80 16.399 8.093 -7.007 543 HA2 GLY 80 1HA GLY 80 19.204 7.433 -6.635 544 HA3 GLY 80 2HA GLY 80 18.529 8.453 -7.897 545 HA PRO 81 HA PRO 81 20.668 11.465 -5.292 546 HB2 PRO 81 1HB PRO 81 20.825 13.352 -7.238 547 HB3 PRO 81 2HB PRO 81 21.955 11.998 -7.119 548 HG2 PRO 81 1HG PRO 81 19.556 12.314 -8.882 549 HG3 PRO 81 2HG PRO 81 21.162 11.675 -9.281 550 HD2 PRO 81 1HD PRO 81 19.038 10.070 -8.784 551 HD3 PRO 81 2HD PRO 81 20.702 9.606 -8.376 552 H SER 82 H SER 82 18.068 12.316 -7.583 553 HA SER 82 HA SER 82 17.212 14.607 -6.164 554 HB2 SER 82 1HB SER 82 15.709 12.877 -8.143 555 HB3 SER 82 2HB SER 82 15.191 14.470 -7.592 556 HG SER 82 HG SER 82 16.935 15.381 -8.601 557 H SER 83 H SER 83 16.908 14.117 -4.004 558 HA SER 83 HA SER 83 14.604 12.373 -3.420 559 HB2 SER 83 1HB SER 83 15.668 11.908 -1.219 560 HB3 SER 83 2HB SER 83 16.635 11.333 -2.577 561 HG SER 83 HG SER 83 17.836 13.332 -2.369 562 H GLY 84 H GLY 84 16.507 15.108 -2.150 563 HA2 GLY 84 1HA GLY 84 14.664 17.039 -1.949 564 HA3 GLY 84 2HA GLY 84 14.236 16.020 -0.583 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -13.256 41.647 -12.452 2 HA2 GLY 1 1HA GLY 1 -11.248 40.086 -13.156 3 HA3 GLY 1 2HA GLY 1 -11.537 40.407 -11.453 4 H SER 2 H SER 2 -10.793 38.011 -13.435 5 HA SER 2 HA SER 2 -12.661 36.000 -12.530 6 HB2 SER 2 1HB SER 2 -10.321 36.064 -14.385 7 HB3 SER 2 2HB SER 2 -10.806 34.510 -13.707 8 HG SER 2 HG SER 2 -12.308 36.273 -15.327 9 H SER 3 H SER 3 -12.530 35.329 -10.491 10 HA SER 3 HA SER 3 -9.997 34.295 -9.509 11 HB2 SER 3 1HB SER 3 -11.553 36.408 -7.998 12 HB3 SER 3 2HB SER 3 -10.175 35.510 -7.362 13 HG SER 3 HG SER 3 -9.094 36.399 -9.368 14 H GLY 4 H GLY 4 -10.421 33.380 -7.166 15 HA2 GLY 4 1HA GLY 4 -11.676 32.032 -5.761 16 HA3 GLY 4 2HA GLY 4 -13.109 32.464 -6.684 17 H SER 5 H SER 5 -12.783 29.898 -5.802 18 HA SER 5 HA SER 5 -12.700 28.461 -8.319 19 HB2 SER 5 1HB SER 5 -10.875 27.727 -6.018 20 HB3 SER 5 2HB SER 5 -11.169 26.711 -7.430 21 HG SER 5 HG SER 5 -10.496 29.190 -8.211 22 H SER 6 H SER 6 -13.902 26.571 -8.309 23 HA SER 6 HA SER 6 -15.794 26.350 -6.126 24 HB2 SER 6 1HB SER 6 -15.604 25.242 -8.900 25 HB3 SER 6 2HB SER 6 -16.656 24.442 -7.733 26 HG SER 6 HG SER 6 -17.842 26.004 -8.803 27 H GLY 7 H GLY 7 -13.751 24.013 -7.897 28 HA2 GLY 7 1HA GLY 7 -12.220 22.714 -6.353 29 HA3 GLY 7 2HA GLY 7 -13.682 22.386 -5.434 30 H ARG 8 H ARG 8 -12.661 22.211 -8.850 31 HA ARG 8 HA ARG 8 -14.382 20.072 -9.490 32 HB2 ARG 8 1HB ARG 8 -12.997 21.766 -10.991 33 HB3 ARG 8 2HB ARG 8 -11.833 20.448 -10.991 34 HG2 ARG 8 1HG ARG 8 -13.336 18.981 -12.052 35 HG3 ARG 8 2HG ARG 8 -14.710 20.046 -11.745 36 HD2 ARG 8 1HD ARG 8 -12.414 21.047 -13.367 37 HD3 ARG 8 2HD ARG 8 -13.584 19.958 -14.111 38 HE ARG 8 HE ARG 8 -15.171 21.821 -13.017 39 HH11 ARG 8 2HH1 ARG 8 -12.324 22.066 -15.005 40 HH12 ARG 8 1HH1 ARG 8 -12.809 23.556 -15.745 41 HH21 ARG 8 2HH2 ARG 8 -15.821 23.783 -13.984 42 HH22 ARG 8 1HH2 ARG 8 -14.798 24.532 -15.162 43 H TYR 9 H TYR 9 -14.279 18.074 -8.724 44 HA TYR 9 HA TYR 9 -11.890 16.522 -8.889 45 HB2 TYR 9 1HB TYR 9 -11.834 17.967 -6.665 46 HB3 TYR 9 2HB TYR 9 -12.890 16.686 -6.082 47 HD1 TYR 9 2HD TYR 9 -9.725 16.941 -8.067 48 HD2 TYR 9 1HD TYR 9 -11.838 15.002 -4.924 49 HE1 TYR 9 2HE TYR 9 -7.759 15.532 -7.622 50 HE2 TYR 9 1HE TYR 9 -9.877 13.588 -4.470 51 HH TYR 9 HH TYR 9 -7.825 13.027 -5.106 52 HA PRO 10 HA PRO 10 -15.015 13.439 -9.295 53 HB2 PRO 10 1HB PRO 10 -13.432 11.242 -9.090 54 HB3 PRO 10 2HB PRO 10 -13.472 12.266 -10.531 55 HG2 PRO 10 1HG PRO 10 -11.497 12.238 -8.281 56 HG3 PRO 10 2HG PRO 10 -11.205 12.366 -10.026 57 HD2 PRO 10 1HD PRO 10 -11.168 14.517 -8.381 58 HD3 PRO 10 2HD PRO 10 -11.701 14.616 -10.072 59 H THR 11 H THR 11 -16.323 13.489 -7.515 60 HA THR 11 HA THR 11 -15.340 12.342 -5.006 61 HB THR 11 HB THR 11 -17.982 13.719 -5.521 62 HG1 THR 11 1HG THR 11 -16.675 15.369 -4.172 63 HG21 THR 11 1HG2 THR 11 -16.611 13.409 -2.871 64 HG22 THR 11 2HG2 THR 11 -17.637 12.125 -3.511 65 HG23 THR 11 3HG2 THR 11 -18.311 13.727 -3.214 66 H ASN 12 H ASN 12 -16.091 10.472 -4.157 67 HA ASN 12 HA ASN 12 -18.526 9.232 -4.839 68 HB2 ASN 12 1HB ASN 12 -17.737 8.637 -6.952 69 HB3 ASN 12 2HB ASN 12 -16.093 8.379 -6.374 70 HD21 ASN 12 1HD2 ASN 12 -19.377 7.120 -5.930 71 HD22 ASN 12 2HD2 ASN 12 -18.908 5.460 -5.818 72 H ASN 13 H ASN 13 -18.915 7.352 -3.631 73 HA ASN 13 HA ASN 13 -17.973 7.130 -1.131 74 HB2 ASN 13 1HB ASN 13 -19.768 5.722 -1.615 75 HB3 ASN 13 2HB ASN 13 -18.966 5.016 -3.015 76 HD21 ASN 13 1HD2 ASN 13 -18.147 3.070 -2.765 77 HD22 ASN 13 2HD2 ASN 13 -17.748 2.320 -1.261 78 H PHE 14 H PHE 14 -16.346 6.077 -0.008 79 HA PHE 14 HA PHE 14 -14.066 5.191 -1.650 80 HB2 PHE 14 1HB PHE 14 -14.174 6.703 0.949 81 HB3 PHE 14 2HB PHE 14 -12.727 5.828 0.463 82 HD1 PHE 14 1HD PHE 14 -15.131 8.375 -0.800 83 HD2 PHE 14 2HD PHE 14 -11.140 6.894 -0.826 84 HE1 PHE 14 1HE PHE 14 -14.428 10.304 -2.156 85 HE2 PHE 14 2HE PHE 14 -10.431 8.821 -2.181 86 HZ PHE 14 HZ PHE 14 -12.075 10.530 -2.847 87 H GLY 15 H GLY 15 -12.498 3.815 -0.181 88 HA2 GLY 15 1HA GLY 15 -12.554 2.212 1.721 89 HA3 GLY 15 2HA GLY 15 -14.166 1.782 1.168 90 H ASN 16 H ASN 16 -11.336 2.356 -0.860 91 HA ASN 16 HA ASN 16 -11.160 -0.516 -1.420 92 HB2 ASN 16 1HB ASN 16 -11.010 1.378 -3.729 93 HB3 ASN 16 2HB ASN 16 -11.473 -0.321 -3.703 94 HD21 ASN 16 1HD2 ASN 16 -13.438 -0.464 -1.912 95 HD22 ASN 16 2HD2 ASN 16 -14.778 0.523 -2.376 96 H CYS 17 H CYS 17 -9.193 -1.007 -2.792 97 HA CYS 17 HA CYS 17 -6.892 -0.014 -1.526 98 HB2 CYS 17 1HB CYS 17 -7.015 -2.240 -2.580 99 HB3 CYS 17 2HB CYS 17 -7.104 -1.479 -4.165 100 H THR 18 H THR 18 -5.310 1.417 -2.161 101 HA THR 18 HA THR 18 -6.155 3.410 -4.117 102 HB THR 18 HB THR 18 -3.652 3.663 -2.489 103 HG1 THR 18 1HG THR 18 -4.946 3.298 -0.810 104 HG21 THR 18 1HG2 THR 18 -4.031 5.979 -2.683 105 HG22 THR 18 2HG2 THR 18 -5.718 5.749 -3.141 106 HG23 THR 18 3HG2 THR 18 -4.432 5.322 -4.269 107 H GLY 19 H GLY 19 -4.906 0.662 -4.690 108 HA2 GLY 19 1HA GLY 19 -2.785 1.684 -6.475 109 HA3 GLY 19 2HA GLY 19 -2.635 0.149 -5.633 110 H CYS 20 H CYS 20 -5.071 -1.000 -5.983 111 HA CYS 20 HA CYS 20 -5.198 -1.307 -8.909 112 HB2 CYS 20 1HB CYS 20 -6.127 -3.591 -8.386 113 HB3 CYS 20 2HB CYS 20 -4.450 -3.346 -7.909 114 H SER 21 H SER 21 -6.936 -0.381 -6.129 115 HA SER 21 HA SER 21 -9.031 0.490 -5.880 116 HB2 SER 21 1HB SER 21 -8.600 1.326 -8.262 117 HB3 SER 21 2HB SER 21 -9.557 -0.054 -8.801 118 HG SER 21 HG SER 21 -11.322 0.765 -7.753 119 H ALA 22 H ALA 22 -8.553 -2.169 -5.271 120 HA ALA 22 HA ALA 22 -10.985 -3.559 -6.171 121 HB1 ALA 22 1HB ALA 22 -9.667 -5.322 -6.428 122 HB2 ALA 22 2HB ALA 22 -8.294 -4.431 -5.770 123 HB3 ALA 22 3HB ALA 22 -9.366 -5.323 -4.690 124 H THR 23 H THR 23 -12.625 -3.174 -4.823 125 HA THR 23 HA THR 23 -12.480 -2.327 -2.186 126 HB THR 23 HB THR 23 -14.735 -4.019 -3.261 127 HG1 THR 23 1HG THR 23 -14.785 -1.231 -3.496 128 HG21 THR 23 1HG2 THR 23 -15.338 -3.589 -1.102 129 HG22 THR 23 2HG2 THR 23 -15.916 -2.096 -1.843 130 HG23 THR 23 3HG2 THR 23 -14.364 -2.123 -1.007 131 H PHE 24 H PHE 24 -12.642 -3.346 -0.195 132 HA PHE 24 HA PHE 24 -11.803 -6.155 -0.195 133 HB2 PHE 24 1HB PHE 24 -11.815 -4.457 2.269 134 HB3 PHE 24 2HB PHE 24 -10.734 -5.774 1.827 135 HD1 PHE 24 2HD PHE 24 -11.511 -2.221 1.291 136 HD2 PHE 24 1HD PHE 24 -8.754 -5.382 0.569 137 HE1 PHE 24 2HE PHE 24 -9.846 -0.586 0.512 138 HE2 PHE 24 1HE PHE 24 -7.084 -3.752 -0.210 139 HZ PHE 24 HZ PHE 24 -7.629 -1.351 -0.241 140 H SER 25 H SER 25 -13.187 -7.697 0.352 141 HA SER 25 HA SER 25 -15.600 -6.940 1.867 142 HB2 SER 25 1HB SER 25 -15.751 -7.792 -0.610 143 HB3 SER 25 2HB SER 25 -15.505 -9.377 0.122 144 HG SER 25 HG SER 25 -17.762 -8.145 -0.099 145 H VAL 26 H VAL 26 -13.817 -9.931 1.085 146 HA VAL 26 HA VAL 26 -13.875 -10.603 3.954 147 HB VAL 26 HB VAL 26 -15.473 -12.041 2.894 148 HG11 VAL 26 1HG1 VAL 26 -14.417 -13.658 1.081 149 HG12 VAL 26 2HG1 VAL 26 -15.128 -12.104 0.640 150 HG13 VAL 26 3HG1 VAL 26 -13.378 -12.260 0.800 151 HG21 VAL 26 1HG2 VAL 26 -13.250 -13.970 2.973 152 HG22 VAL 26 2HG2 VAL 26 -13.413 -12.941 4.396 153 HG23 VAL 26 3HG2 VAL 26 -14.766 -13.945 3.875 154 H LEU 27 H LEU 27 -12.031 -10.159 1.154 155 HA LEU 27 HA LEU 27 -9.707 -11.434 2.441 156 HB2 LEU 27 1HB LEU 27 -10.275 -11.187 -0.510 157 HB3 LEU 27 2HB LEU 27 -8.793 -11.833 0.193 158 HG LEU 27 HG LEU 27 -11.450 -13.091 0.785 159 HD11 LEU 27 1HD1 LEU 27 -11.249 -14.530 -1.095 160 HD12 LEU 27 2HD1 LEU 27 -9.680 -13.853 -1.527 161 HD13 LEU 27 3HD1 LEU 27 -11.138 -12.875 -1.693 162 HD21 LEU 27 1HD2 LEU 27 -8.634 -13.654 1.282 163 HD22 LEU 27 2HD2 LEU 27 -9.505 -15.021 0.587 164 HD23 LEU 27 3HD2 LEU 27 -10.075 -14.280 2.083 165 H LYS 28 H LYS 28 -7.624 -10.505 1.199 166 HA LYS 28 HA LYS 28 -6.208 -8.728 1.067 167 HB2 LYS 28 1HB LYS 28 -8.688 -7.501 -0.142 168 HB3 LYS 28 2HB LYS 28 -7.120 -6.706 -0.134 169 HG2 LYS 28 1HG LYS 28 -6.169 -8.416 -1.504 170 HG3 LYS 28 2HG LYS 28 -7.627 -9.402 -1.371 171 HD2 LYS 28 1HD LYS 28 -8.898 -7.696 -2.568 172 HD3 LYS 28 2HD LYS 28 -7.455 -6.686 -2.678 173 HE2 LYS 28 1HE LYS 28 -6.463 -8.888 -3.774 174 HE3 LYS 28 2HE LYS 28 -8.163 -9.171 -4.146 175 HZ1 LYS 28 1HZ LYS 28 -6.686 -6.691 -4.842 176 HZ2 LYS 28 2HZ LYS 28 -8.264 -7.092 -5.301 177 HZ3 LYS 28 3HZ LYS 28 -6.957 -7.974 -5.912 178 H LYS 29 H LYS 29 -7.112 -9.064 3.582 179 HA LYS 29 HA LYS 29 -8.481 -7.288 5.017 180 HB2 LYS 29 1HB LYS 29 -5.718 -8.354 5.571 181 HB3 LYS 29 2HB LYS 29 -6.589 -7.375 6.744 182 HG2 LYS 29 1HG LYS 29 -7.878 -9.803 5.580 183 HG3 LYS 29 2HG LYS 29 -6.698 -9.960 6.884 184 HD2 LYS 29 1HD LYS 29 -8.929 -7.997 7.167 185 HD3 LYS 29 2HD LYS 29 -9.258 -9.714 7.412 186 HE2 LYS 29 1HE LYS 29 -7.164 -8.091 8.855 187 HE3 LYS 29 2HE LYS 29 -8.721 -8.587 9.518 188 HZ1 LYS 29 1HZ LYS 29 -7.203 -10.146 10.315 189 HZ2 LYS 29 2HZ LYS 29 -6.396 -10.279 8.835 190 HZ3 LYS 29 3HZ LYS 29 -7.943 -10.938 9.015 191 H ARG 30 H ARG 30 -8.676 -5.156 5.040 192 HA ARG 30 HA ARG 30 -7.319 -3.300 3.635 193 HB2 ARG 30 1HB ARG 30 -9.340 -3.116 5.345 194 HB3 ARG 30 2HB ARG 30 -8.078 -2.507 6.407 195 HG2 ARG 30 1HG ARG 30 -8.734 -0.542 5.505 196 HG3 ARG 30 2HG ARG 30 -7.558 -1.007 4.274 197 HD2 ARG 30 1HD ARG 30 -9.759 -0.216 3.381 198 HD3 ARG 30 2HD ARG 30 -9.271 -1.820 2.834 199 HE ARG 30 HE ARG 30 -11.040 -2.733 3.996 200 HH11 ARG 30 2HH1 ARG 30 -10.662 0.623 4.841 201 HH12 ARG 30 1HH1 ARG 30 -12.173 0.716 5.683 202 HH21 ARG 30 2HH2 ARG 30 -13.032 -2.623 5.102 203 HH22 ARG 30 1HH2 ARG 30 -13.520 -1.131 5.832 204 H ARG 31 H ARG 31 -5.128 -3.449 3.474 205 HA ARG 31 HA ARG 31 -3.516 -3.404 5.910 206 HB2 ARG 31 1HB ARG 31 -3.032 -4.109 3.064 207 HB3 ARG 31 2HB ARG 31 -1.672 -3.459 3.969 208 HG2 ARG 31 1HG ARG 31 -1.694 -5.239 5.496 209 HG3 ARG 31 2HG ARG 31 -3.305 -5.757 4.992 210 HD2 ARG 31 1HD ARG 31 -2.507 -6.617 2.956 211 HD3 ARG 31 2HD ARG 31 -0.972 -5.761 3.101 212 HE ARG 31 HE ARG 31 -0.172 -7.531 4.291 213 HH11 ARG 31 2HH1 ARG 31 -3.650 -7.588 4.432 214 HH12 ARG 31 1HH1 ARG 31 -3.721 -9.096 5.282 215 HH21 ARG 31 2HH2 ARG 31 -0.252 -9.517 5.410 216 HH22 ARG 31 1HH2 ARG 31 -1.788 -10.192 5.838 217 H SER 32 H SER 32 -1.942 -1.819 6.317 218 HA SER 32 HA SER 32 -2.409 0.725 4.906 219 HB2 SER 32 1HB SER 32 -1.430 0.345 7.745 220 HB3 SER 32 2HB SER 32 -1.832 1.876 6.966 221 HG SER 32 HG SER 32 -3.596 -0.249 7.613 222 H CYS 33 H CYS 33 -0.751 1.662 3.897 223 HA CYS 33 HA CYS 33 1.702 0.348 3.538 224 HB2 CYS 33 1HB CYS 33 0.655 2.009 1.964 225 HB3 CYS 33 2HB CYS 33 1.167 3.284 3.065 226 H SER 34 H SER 34 3.866 1.337 3.978 227 HA SER 34 HA SER 34 3.954 2.230 6.772 228 HB2 SER 34 1HB SER 34 5.196 0.122 5.873 229 HB3 SER 34 2HB SER 34 6.353 1.286 5.227 230 HG SER 34 HG SER 34 5.725 1.831 7.807 231 H ASN 35 H ASN 35 4.909 3.097 3.527 232 HA ASN 35 HA ASN 35 6.474 5.370 4.427 233 HB2 ASN 35 1HB ASN 35 7.290 4.187 2.485 234 HB3 ASN 35 2HB ASN 35 5.744 4.380 1.664 235 HD21 ASN 35 1HD2 ASN 35 6.082 5.684 0.013 236 HD22 ASN 35 2HD2 ASN 35 6.902 7.204 0.074 237 H CYS 36 H CYS 36 3.955 5.213 1.922 238 HA CYS 36 HA CYS 36 3.160 7.896 2.289 239 HB2 CYS 36 1HB CYS 36 1.428 7.446 0.707 240 HB3 CYS 36 2HB CYS 36 2.834 6.511 0.207 241 H GLY 37 H GLY 37 2.021 4.863 3.636 242 HA2 GLY 37 1HA GLY 37 0.757 4.512 5.541 243 HA3 GLY 37 2HA GLY 37 0.660 6.254 5.750 244 H ASN 38 H ASN 38 -0.336 4.413 2.907 245 HA ASN 38 HA ASN 38 -3.077 5.386 3.354 246 HB2 ASN 38 1HB ASN 38 -1.829 4.488 0.749 247 HB3 ASN 38 2HB ASN 38 -3.402 5.253 0.957 248 HD21 ASN 38 1HD2 ASN 38 -1.259 6.145 -0.703 249 HD22 ASN 38 2HD2 ASN 38 -0.787 7.706 -0.134 250 H SER 39 H SER 39 -4.649 3.868 1.945 251 HA SER 39 HA SER 39 -4.432 1.259 3.218 252 HB2 SER 39 1HB SER 39 -6.711 2.407 1.589 253 HB3 SER 39 2HB SER 39 -6.765 0.961 2.597 254 HG SER 39 HG SER 39 -6.251 2.381 4.389 255 H PHE 40 H PHE 40 -4.411 -0.693 2.137 256 HA PHE 40 HA PHE 40 -4.515 -0.812 -0.738 257 HB2 PHE 40 1HB PHE 40 -1.910 -1.298 0.717 258 HB3 PHE 40 2HB PHE 40 -2.219 -1.807 -0.940 259 HD1 PHE 40 1HD PHE 40 -2.779 -0.024 -2.653 260 HD2 PHE 40 2HD PHE 40 -1.177 0.863 1.190 261 HE1 PHE 40 1HE PHE 40 -2.061 2.185 -3.465 262 HE2 PHE 40 2HE PHE 40 -0.458 3.073 0.384 263 HZ PHE 40 HZ PHE 40 -0.900 3.737 -1.946 264 H CYS 41 H CYS 41 -4.221 -3.057 -1.536 265 HA CYS 41 HA CYS 41 -5.523 -4.896 0.279 266 HB2 CYS 41 1HB CYS 41 -5.714 -6.361 -1.672 267 HB3 CYS 41 2HB CYS 41 -6.261 -4.734 -2.061 268 H SER 42 H SER 42 -4.708 -7.309 -0.054 269 HA SER 42 HA SER 42 -2.111 -7.388 1.163 270 HB2 SER 42 1HB SER 42 -2.493 -9.789 1.361 271 HB3 SER 42 2HB SER 42 -3.946 -8.913 1.844 272 HG SER 42 HG SER 42 -3.741 -9.653 -0.831 273 H ARG 43 H ARG 43 -2.895 -6.925 -1.922 274 HA ARG 43 HA ARG 43 -0.782 -8.664 -3.001 275 HB2 ARG 43 1HB ARG 43 -3.264 -8.497 -3.929 276 HB3 ARG 43 2HB ARG 43 -2.601 -7.108 -4.779 277 HG2 ARG 43 1HG ARG 43 -1.092 -9.657 -4.910 278 HG3 ARG 43 2HG ARG 43 -2.594 -9.531 -5.827 279 HD2 ARG 43 1HD ARG 43 -0.390 -7.489 -5.987 280 HD3 ARG 43 2HD ARG 43 -0.485 -8.886 -7.058 281 HE ARG 43 HE ARG 43 -2.904 -7.790 -7.377 282 HH11 ARG 43 2HH1 ARG 43 0.286 -6.396 -7.410 283 HH12 ARG 43 1HH1 ARG 43 -0.134 -5.136 -8.523 284 HH21 ARG 43 2HH2 ARG 43 -3.469 -6.136 -8.843 285 HH22 ARG 43 1HH2 ARG 43 -2.271 -4.989 -9.337 286 H CYS 44 H CYS 44 -1.804 -5.354 -2.587 287 HA CYS 44 HA CYS 44 0.401 -4.337 -4.196 288 HB2 CYS 44 1HB CYS 44 -1.876 -3.006 -2.731 289 HB3 CYS 44 2HB CYS 44 -0.567 -2.090 -3.471 290 H CYS 45 H CYS 45 -0.604 -4.559 -0.831 291 HA CYS 45 HA CYS 45 1.741 -3.105 0.078 292 HB2 CYS 45 1HB CYS 45 -0.424 -2.773 1.213 293 HB3 CYS 45 2HB CYS 45 -0.444 -4.474 1.662 294 HG CYS 45 HG CYS 45 2.364 -3.070 2.675 295 H SER 46 H SER 46 2.499 -5.325 -1.327 296 HA SER 46 HA SER 46 3.489 -7.120 0.790 297 HB2 SER 46 1HB SER 46 1.808 -8.053 -0.970 298 HB3 SER 46 2HB SER 46 3.194 -8.021 -2.061 299 HG SER 46 HG SER 46 4.284 -9.396 -0.650 300 H PHE 47 H PHE 47 4.838 -4.797 0.137 301 HA PHE 47 HA PHE 47 7.191 -5.850 -1.289 302 HB2 PHE 47 1HB PHE 47 6.037 -3.060 -1.339 303 HB3 PHE 47 2HB PHE 47 7.663 -3.436 -1.901 304 HD1 PHE 47 1HD PHE 47 4.088 -3.791 -2.571 305 HD2 PHE 47 2HD PHE 47 8.021 -4.664 -3.947 306 HE1 PHE 47 1HE PHE 47 3.181 -4.379 -4.781 307 HE2 PHE 47 2HE PHE 47 7.120 -5.253 -6.159 308 HZ PHE 47 HZ PHE 47 4.697 -5.110 -6.579 309 H LYS 48 H LYS 48 8.876 -6.089 0.005 310 HA LYS 48 HA LYS 48 8.957 -4.693 2.560 311 HB2 LYS 48 1HB LYS 48 10.584 -6.950 1.394 312 HB3 LYS 48 2HB LYS 48 10.975 -6.195 2.933 313 HG2 LYS 48 1HG LYS 48 8.592 -6.766 3.629 314 HG3 LYS 48 2HG LYS 48 8.555 -7.809 2.205 315 HD2 LYS 48 1HD LYS 48 9.286 -9.317 3.756 316 HD3 LYS 48 2HD LYS 48 10.841 -8.669 3.230 317 HE2 LYS 48 1HE LYS 48 11.160 -7.493 5.169 318 HE3 LYS 48 2HE LYS 48 9.433 -7.313 5.472 319 HZ1 LYS 48 1HZ LYS 48 9.467 -9.089 6.772 320 HZ2 LYS 48 2HZ LYS 48 11.150 -9.152 6.613 321 HZ3 LYS 48 3HZ LYS 48 10.167 -10.044 5.564 322 H VAL 49 H VAL 49 9.998 -2.834 2.766 323 HA VAL 49 HA VAL 49 12.485 -2.415 1.268 324 HB VAL 49 HB VAL 49 11.895 -0.153 0.670 325 HG11 VAL 49 1HG1 VAL 49 10.700 -2.452 -0.404 326 HG12 VAL 49 2HG1 VAL 49 9.444 -1.213 -0.381 327 HG13 VAL 49 3HG1 VAL 49 10.973 -0.905 -1.205 328 HG21 VAL 49 1HG2 VAL 49 9.467 -0.716 2.316 329 HG22 VAL 49 2HG2 VAL 49 10.525 0.694 2.325 330 HG23 VAL 49 3HG2 VAL 49 9.381 0.459 1.004 331 HA PRO 50 HA PRO 50 14.058 -0.946 5.100 332 HB2 PRO 50 1HB PRO 50 15.982 0.755 4.220 333 HB3 PRO 50 2HB PRO 50 16.134 -1.003 4.116 334 HG2 PRO 50 1HG PRO 50 15.330 0.957 2.001 335 HG3 PRO 50 2HG PRO 50 16.417 -0.439 1.878 336 HD2 PRO 50 1HD PRO 50 13.847 -0.515 1.029 337 HD3 PRO 50 2HD PRO 50 14.676 -1.938 1.693 338 H LYS 51 H LYS 51 13.319 0.510 6.506 339 HA LYS 51 HA LYS 51 12.019 2.915 5.535 340 HB2 LYS 51 1HB LYS 51 11.352 3.191 7.927 341 HB3 LYS 51 2HB LYS 51 10.832 1.671 7.211 342 HG2 LYS 51 1HG LYS 51 12.306 0.421 8.460 343 HG3 LYS 51 2HG LYS 51 13.400 1.781 8.724 344 HD2 LYS 51 1HD LYS 51 12.382 1.501 10.799 345 HD3 LYS 51 2HD LYS 51 11.447 2.804 10.063 346 HE2 LYS 51 1HE LYS 51 9.731 1.207 9.393 347 HE3 LYS 51 2HE LYS 51 10.675 -0.113 10.082 348 HZ1 LYS 51 1HZ LYS 51 10.251 1.961 11.983 349 HZ2 LYS 51 2HZ LYS 51 9.868 0.318 12.088 350 HZ3 LYS 51 3HZ LYS 51 8.778 1.395 11.371 351 H SER 52 H SER 52 14.923 1.986 7.221 352 HA SER 52 HA SER 52 15.633 4.430 8.372 353 HB2 SER 52 1HB SER 52 17.960 3.566 8.305 354 HB3 SER 52 2HB SER 52 16.816 2.369 8.912 355 HG SER 52 HG SER 52 18.472 1.825 7.148 356 H SER 53 H SER 53 15.957 3.248 5.089 357 HA SER 53 HA SER 53 17.425 5.652 4.301 358 HB2 SER 53 1HB SER 53 18.120 3.349 3.507 359 HB3 SER 53 2HB SER 53 16.644 3.322 2.542 360 HG SER 53 HG SER 53 18.417 5.494 2.342 361 H MET 54 H MET 54 14.987 6.380 5.100 362 HA MET 54 HA MET 54 13.463 6.772 2.608 363 HB2 MET 54 1HB MET 54 12.555 6.515 5.464 364 HB3 MET 54 2HB MET 54 11.541 7.281 4.248 365 HG2 MET 54 1HG MET 54 11.748 5.177 2.897 366 HG3 MET 54 2HG MET 54 12.521 4.443 4.300 367 HE1 MET 54 1HE MET 54 10.941 2.746 3.733 368 HE2 MET 54 2HE MET 54 9.743 2.496 5.002 369 HE3 MET 54 3HE MET 54 9.233 3.034 3.401 370 H GLY 55 H GLY 55 15.707 8.372 3.410 371 HA2 GLY 55 1HA GLY 55 16.081 10.662 3.080 372 HA3 GLY 55 2HA GLY 55 14.381 10.964 3.404 373 H ALA 56 H ALA 56 13.668 10.760 5.669 374 HA ALA 56 HA ALA 56 15.826 11.239 7.605 375 HB1 ALA 56 1HB ALA 56 14.427 13.311 6.627 376 HB2 ALA 56 2HB ALA 56 13.380 12.848 7.969 377 HB3 ALA 56 3HB ALA 56 15.068 13.260 8.270 378 H THR 57 H THR 57 15.655 9.890 9.259 379 HA THR 57 HA THR 57 13.042 9.255 10.372 380 HB THR 57 HB THR 57 13.566 6.808 10.428 381 HG1 THR 57 1HG THR 57 15.782 6.856 10.006 382 HG21 THR 57 1HG2 THR 57 12.231 8.167 8.570 383 HG22 THR 57 2HG2 THR 57 12.487 6.427 8.452 384 HG23 THR 57 3HG2 THR 57 13.519 7.534 7.548 385 H ALA 58 H ALA 58 13.097 8.645 12.529 386 HA ALA 58 HA ALA 58 14.995 9.680 14.190 387 HB1 ALA 58 1HB ALA 58 13.806 8.783 15.885 388 HB2 ALA 58 2HB ALA 58 12.662 8.410 14.596 389 HB3 ALA 58 3HB ALA 58 13.784 7.174 15.164 390 HA PRO 59 HA PRO 59 18.580 7.149 14.149 391 HB2 PRO 59 1HB PRO 59 19.349 7.236 16.751 392 HB3 PRO 59 2HB PRO 59 19.501 8.617 15.657 393 HG2 PRO 59 1HG PRO 59 17.391 8.043 17.703 394 HG3 PRO 59 2HG PRO 59 18.212 9.572 17.341 395 HD2 PRO 59 1HD PRO 59 15.726 9.003 16.432 396 HD3 PRO 59 2HD PRO 59 16.870 10.007 15.518 397 H GLU 60 H GLU 60 15.786 6.203 15.779 398 HA GLU 60 HA GLU 60 16.816 3.797 16.972 399 HB2 GLU 60 1HB GLU 60 14.900 4.798 18.004 400 HB3 GLU 60 2HB GLU 60 14.014 4.808 16.486 401 HG2 GLU 60 1HG GLU 60 13.529 2.574 16.590 402 HG3 GLU 60 2HG GLU 60 14.933 2.203 17.589 403 H ALA 61 H ALA 61 14.588 4.438 14.260 404 HA ALA 61 HA ALA 61 14.511 1.780 13.335 405 HB1 ALA 61 1HB ALA 61 13.847 4.419 12.080 406 HB2 ALA 61 2HB ALA 61 13.752 2.918 11.158 407 HB3 ALA 61 3HB ALA 61 12.761 3.131 12.602 408 H GLN 62 H GLN 62 16.097 0.627 12.471 409 HA GLN 62 HA GLN 62 17.922 1.890 10.572 410 HB2 GLN 62 1HB GLN 62 18.707 0.576 13.144 411 HB3 GLN 62 2HB GLN 62 19.771 0.445 11.750 412 HG2 GLN 62 1HG GLN 62 20.204 2.721 11.703 413 HG3 GLN 62 2HG GLN 62 18.768 3.113 12.648 414 HE21 GLN 62 1HE2 GLN 62 20.761 4.362 13.589 415 HE22 GLN 62 2HE2 GLN 62 21.484 3.611 14.967 416 H ARG 63 H ARG 63 18.526 0.584 8.914 417 HA ARG 63 HA ARG 63 18.061 -1.113 7.415 418 HB2 ARG 63 1HB ARG 63 20.115 -1.683 9.015 419 HB3 ARG 63 2HB ARG 63 19.067 -3.020 9.468 420 HG2 ARG 63 1HG ARG 63 20.211 -4.002 7.772 421 HG3 ARG 63 2HG ARG 63 18.885 -3.296 6.846 422 HD2 ARG 63 1HD ARG 63 21.311 -1.642 7.303 423 HD3 ARG 63 2HD ARG 63 21.420 -2.968 6.146 424 HE ARG 63 HE ARG 63 19.898 -0.522 5.862 425 HH11 ARG 63 2HH1 ARG 63 20.450 -3.767 4.729 426 HH12 ARG 63 1HH1 ARG 63 19.745 -3.482 3.172 427 HH21 ARG 63 2HH2 ARG 63 18.968 -0.135 3.815 428 HH22 ARG 63 1HH2 ARG 63 18.904 -1.416 2.653 429 H GLU 64 H GLU 64 15.749 -0.532 8.928 430 HA GLU 64 HA GLU 64 14.619 -3.129 9.643 431 HB2 GLU 64 1HB GLU 64 14.191 -1.309 11.188 432 HB3 GLU 64 2HB GLU 64 13.517 -0.327 9.896 433 HG2 GLU 64 1HG GLU 64 11.787 -1.294 11.326 434 HG3 GLU 64 2HG GLU 64 11.657 -1.846 9.657 435 H THR 65 H THR 65 13.214 -4.218 8.409 436 HA THR 65 HA THR 65 12.542 -3.093 5.796 437 HB THR 65 HB THR 65 11.799 -5.423 5.256 438 HG1 THR 65 1HG THR 65 12.867 -6.927 6.967 439 HG21 THR 65 1HG2 THR 65 14.329 -4.378 5.324 440 HG22 THR 65 2HG2 THR 65 13.884 -5.912 4.574 441 HG23 THR 65 3HG2 THR 65 14.526 -5.886 6.216 442 H VAL 66 H VAL 66 10.589 -2.317 5.357 443 HA VAL 66 HA VAL 66 8.329 -3.151 7.058 444 HB VAL 66 HB VAL 66 7.353 -0.937 6.794 445 HG11 VAL 66 1HG1 VAL 66 8.486 -0.124 8.546 446 HG12 VAL 66 2HG1 VAL 66 9.462 -1.587 8.410 447 HG13 VAL 66 3HG1 VAL 66 10.011 -0.087 7.663 448 HG21 VAL 66 1HG2 VAL 66 7.948 0.110 4.892 449 HG22 VAL 66 2HG2 VAL 66 9.247 0.771 5.886 450 HG23 VAL 66 3HG2 VAL 66 9.548 -0.632 4.860 451 H PHE 67 H PHE 67 6.187 -2.887 6.010 452 HA PHE 67 HA PHE 67 6.348 -3.782 3.228 453 HB2 PHE 67 1HB PHE 67 4.161 -3.972 5.301 454 HB3 PHE 67 2HB PHE 67 3.932 -4.434 3.618 455 HD1 PHE 67 2HD PHE 67 5.808 -6.091 2.709 456 HD2 PHE 67 1HD PHE 67 4.704 -5.621 6.793 457 HE1 PHE 67 2HE PHE 67 6.695 -8.332 3.204 458 HE2 PHE 67 1HE PHE 67 5.590 -7.861 7.294 459 HZ PHE 67 HZ PHE 67 6.586 -9.220 5.498 460 H VAL 68 H VAL 68 5.898 -2.425 1.634 461 HA VAL 68 HA VAL 68 4.147 -0.120 2.197 462 HB VAL 68 HB VAL 68 5.393 1.188 0.579 463 HG11 VAL 68 1HG1 VAL 68 6.237 1.500 2.728 464 HG12 VAL 68 2HG1 VAL 68 6.957 -0.110 2.783 465 HG13 VAL 68 3HG1 VAL 68 7.673 1.144 1.769 466 HG21 VAL 68 1HG2 VAL 68 6.335 -0.024 -1.067 467 HG22 VAL 68 2HG2 VAL 68 7.729 -0.067 0.012 468 HG23 VAL 68 3HG2 VAL 68 6.601 -1.423 -0.027 469 H CYS 69 H CYS 69 3.450 0.860 -0.076 470 HA CYS 69 HA CYS 69 2.090 -1.332 -1.453 471 HB2 CYS 69 1HB CYS 69 0.537 0.306 -2.254 472 HB3 CYS 69 2HB CYS 69 0.800 0.627 -0.543 473 H ALA 70 H ALA 70 2.254 -1.709 -3.631 474 HA ALA 70 HA ALA 70 4.538 -1.548 -4.994 475 HB1 ALA 70 1HB ALA 70 1.732 -1.345 -6.029 476 HB2 ALA 70 2HB ALA 70 3.114 -1.375 -7.125 477 HB3 ALA 70 3HB ALA 70 2.821 -2.732 -6.037 478 H SER 71 H SER 71 2.034 0.982 -5.234 479 HA SER 71 HA SER 71 3.221 2.743 -6.933 480 HB2 SER 71 1HB SER 71 0.992 3.061 -5.875 481 HB3 SER 71 2HB SER 71 1.799 3.534 -4.380 482 HG SER 71 HG SER 71 1.597 5.447 -5.283 483 H CYS 72 H CYS 72 3.858 2.447 -3.456 484 HA CYS 72 HA CYS 72 5.873 4.504 -3.498 485 HB2 CYS 72 1HB CYS 72 5.009 2.528 -1.382 486 HB3 CYS 72 2HB CYS 72 6.284 3.717 -1.132 487 H ASN 73 H ASN 73 5.939 0.993 -2.860 488 HA ASN 73 HA ASN 73 8.587 0.520 -2.601 489 HB2 ASN 73 1HB ASN 73 7.016 -1.297 -2.477 490 HB3 ASN 73 2HB ASN 73 6.575 -1.100 -4.171 491 HD21 ASN 73 1HD2 ASN 73 7.716 -2.133 -5.692 492 HD22 ASN 73 2HD2 ASN 73 9.112 -3.103 -5.385 493 H GLN 74 H GLN 74 6.889 1.156 -5.625 494 HA GLN 74 HA GLN 74 9.098 0.644 -7.330 495 HB2 GLN 74 1HB GLN 74 6.577 2.255 -7.731 496 HB3 GLN 74 2HB GLN 74 7.755 1.968 -9.004 497 HG2 GLN 74 1HG GLN 74 7.355 -0.383 -8.943 498 HG3 GLN 74 2HG GLN 74 6.347 -0.225 -7.506 499 HE21 GLN 74 1HE2 GLN 74 5.575 -1.453 -9.933 500 HE22 GLN 74 2HE2 GLN 74 4.262 -0.543 -10.591 501 H THR 75 H THR 75 7.825 3.570 -5.810 502 HA THR 75 HA THR 75 9.620 5.365 -7.082 503 HB THR 75 HB THR 75 8.125 5.696 -4.474 504 HG1 THR 75 1HG THR 75 7.433 5.988 -7.167 505 HG21 THR 75 1HG2 THR 75 9.138 7.667 -4.258 506 HG22 THR 75 2HG2 THR 75 8.571 8.144 -5.859 507 HG23 THR 75 3HG2 THR 75 10.118 7.316 -5.681 508 H LEU 76 H LEU 76 9.639 3.766 -3.912 509 HA LEU 76 HA LEU 76 11.950 4.950 -2.889 510 HB2 LEU 76 1HB LEU 76 10.959 2.145 -2.405 511 HB3 LEU 76 2HB LEU 76 12.071 3.049 -1.379 512 HG LEU 76 HG LEU 76 9.232 3.914 -1.893 513 HD11 LEU 76 1HD1 LEU 76 9.890 2.766 0.720 514 HD12 LEU 76 2HD1 LEU 76 9.873 1.607 -0.609 515 HD13 LEU 76 3HD1 LEU 76 8.444 2.584 -0.273 516 HD21 LEU 76 1HD2 LEU 76 11.398 5.242 -0.792 517 HD22 LEU 76 2HD2 LEU 76 10.493 4.663 0.607 518 HD23 LEU 76 3HD2 LEU 76 9.697 5.669 -0.604 519 H SER 77 H SER 77 11.647 1.756 -4.454 520 HA SER 77 HA SER 77 14.218 0.930 -4.529 521 HB2 SER 77 1HB SER 77 12.044 -0.048 -5.649 522 HB3 SER 77 2HB SER 77 12.675 0.748 -7.090 523 HG SER 77 HG SER 77 13.456 -1.558 -5.955 524 H LYS 78 H LYS 78 12.770 2.976 -7.067 525 HA LYS 78 HA LYS 78 15.110 3.449 -8.506 526 HB2 LYS 78 1HB LYS 78 12.596 5.081 -8.182 527 HB3 LYS 78 2HB LYS 78 13.895 5.559 -9.267 528 HG2 LYS 78 1HG LYS 78 13.616 3.187 -10.259 529 HG3 LYS 78 2HG LYS 78 12.047 3.220 -9.451 530 HD2 LYS 78 1HD LYS 78 11.644 4.002 -11.637 531 HD3 LYS 78 2HD LYS 78 11.662 5.445 -10.621 532 HE2 LYS 78 1HE LYS 78 12.911 5.842 -12.659 533 HE3 LYS 78 2HE LYS 78 13.998 5.850 -11.271 534 HZ1 LYS 78 1HZ LYS 78 14.269 4.357 -13.556 535 HZ2 LYS 78 2HZ LYS 78 13.756 3.244 -12.390 536 HZ3 LYS 78 3HZ LYS 78 15.146 4.170 -12.121 537 H SER 79 H SER 79 16.142 5.664 -8.745 538 HA SER 79 HA SER 79 17.360 6.362 -6.276 539 HB2 SER 79 1HB SER 79 18.703 6.575 -8.226 540 HB3 SER 79 2HB SER 79 17.490 7.561 -9.044 541 HG SER 79 HG SER 79 18.331 8.618 -6.663 542 H GLY 80 H GLY 80 15.702 7.052 -4.893 543 HA2 GLY 80 1HA GLY 80 13.659 8.772 -5.222 544 HA3 GLY 80 2HA GLY 80 14.665 8.802 -3.781 545 HA PRO 81 HA PRO 81 15.841 12.339 -6.937 546 HB2 PRO 81 1HB PRO 81 13.596 13.513 -7.911 547 HB3 PRO 81 2HB PRO 81 14.439 12.208 -8.753 548 HG2 PRO 81 1HG PRO 81 11.998 12.081 -7.023 549 HG3 PRO 81 2HG PRO 81 12.320 11.268 -8.566 550 HD2 PRO 81 1HD PRO 81 12.555 10.011 -6.179 551 HD3 PRO 81 2HD PRO 81 13.578 9.611 -7.574 552 H SER 82 H SER 82 16.274 14.226 -5.957 553 HA SER 82 HA SER 82 15.608 14.947 -3.469 554 HB2 SER 82 1HB SER 82 16.070 16.772 -5.832 555 HB3 SER 82 2HB SER 82 15.958 17.364 -4.174 556 HG SER 82 HG SER 82 18.009 16.913 -4.114 557 H SER 83 H SER 83 13.900 16.360 -6.267 558 HA SER 83 HA SER 83 11.739 17.246 -4.566 559 HB2 SER 83 1HB SER 83 10.814 18.239 -6.595 560 HB3 SER 83 2HB SER 83 12.529 18.628 -6.465 561 HG SER 83 HG SER 83 12.833 16.722 -7.873 562 H GLY 84 H GLY 84 9.464 16.754 -5.115 563 HA2 GLY 84 1HA GLY 84 8.125 15.089 -6.519 564 HA3 GLY 84 2HA GLY 84 9.205 13.900 -5.808 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -1.387 37.763 -17.772 2 HA2 GLY 1 1HA GLY 1 -2.521 37.202 -15.627 3 HA3 GLY 1 2HA GLY 1 -2.903 36.043 -16.891 4 H SER 2 H SER 2 -3.356 34.807 -14.809 5 HA SER 2 HA SER 2 -1.300 32.875 -14.464 6 HB2 SER 2 1HB SER 2 -0.261 34.437 -12.986 7 HB3 SER 2 2HB SER 2 -1.797 34.825 -12.210 8 HG SER 2 HG SER 2 -0.196 33.217 -11.213 9 H SER 3 H SER 3 -2.442 31.068 -14.405 10 HA SER 3 HA SER 3 -4.526 30.687 -12.455 11 HB2 SER 3 1HB SER 3 -5.218 30.563 -15.401 12 HB3 SER 3 2HB SER 3 -6.279 30.081 -14.077 13 HG SER 3 HG SER 3 -6.815 32.160 -14.614 14 H GLY 4 H GLY 4 -3.990 28.780 -11.634 15 HA2 GLY 4 1HA GLY 4 -3.742 26.475 -13.371 16 HA3 GLY 4 2HA GLY 4 -2.269 26.905 -12.514 17 H SER 5 H SER 5 -3.505 24.446 -12.168 18 HA SER 5 HA SER 5 -5.237 24.403 -9.915 19 HB2 SER 5 1HB SER 5 -5.170 22.532 -11.480 20 HB3 SER 5 2HB SER 5 -3.480 22.228 -11.080 21 HG SER 5 HG SER 5 -4.546 22.134 -8.796 22 H SER 6 H SER 6 -4.800 23.870 -7.768 23 HA SER 6 HA SER 6 -2.037 23.651 -6.895 24 HB2 SER 6 1HB SER 6 -2.155 25.537 -5.362 25 HB3 SER 6 2HB SER 6 -2.468 26.097 -7.004 26 HG SER 6 HG SER 6 -4.584 25.374 -5.287 27 H GLY 7 H GLY 7 -2.017 22.018 -5.508 28 HA2 GLY 7 1HA GLY 7 -3.664 21.934 -3.199 29 HA3 GLY 7 2HA GLY 7 -4.251 20.794 -4.400 30 H ARG 8 H ARG 8 -2.508 20.933 -1.700 31 HA ARG 8 HA ARG 8 -0.108 19.620 -2.179 32 HB2 ARG 8 1HB ARG 8 -1.932 19.286 0.210 33 HB3 ARG 8 2HB ARG 8 -0.221 18.882 0.154 34 HG2 ARG 8 1HG ARG 8 0.313 21.245 -0.227 35 HG3 ARG 8 2HG ARG 8 -1.405 21.636 -0.129 36 HD2 ARG 8 1HD ARG 8 -1.515 21.083 2.146 37 HD3 ARG 8 2HD ARG 8 0.010 20.201 2.093 38 HE ARG 8 HE ARG 8 0.716 22.746 1.464 39 HH11 ARG 8 2HH1 ARG 8 -1.051 21.302 4.094 40 HH12 ARG 8 1HH1 ARG 8 -0.563 22.498 5.249 41 HH21 ARG 8 2HH2 ARG 8 1.364 24.326 2.976 42 HH22 ARG 8 1HH2 ARG 8 0.809 24.217 4.612 43 H TYR 9 H TYR 9 -3.136 18.085 -1.071 44 HA TYR 9 HA TYR 9 -2.665 15.832 -2.838 45 HB2 TYR 9 1HB TYR 9 -2.795 14.170 -1.025 46 HB3 TYR 9 2HB TYR 9 -1.377 15.199 -0.861 47 HD1 TYR 9 2HD TYR 9 -4.663 14.360 0.542 48 HD2 TYR 9 1HD TYR 9 -1.165 16.741 0.986 49 HE1 TYR 9 2HE TYR 9 -5.338 14.911 2.842 50 HE2 TYR 9 1HE TYR 9 -1.829 17.297 3.288 51 HH TYR 9 HH TYR 9 -4.784 16.997 4.473 52 HA PRO 10 HA PRO 10 -7.079 16.293 -2.948 53 HB2 PRO 10 1HB PRO 10 -7.559 14.213 -4.625 54 HB3 PRO 10 2HB PRO 10 -6.915 15.764 -5.178 55 HG2 PRO 10 1HG PRO 10 -5.467 13.208 -4.599 56 HG3 PRO 10 2HG PRO 10 -5.252 14.334 -5.952 57 HD2 PRO 10 1HD PRO 10 -3.600 14.303 -3.807 58 HD3 PRO 10 2HD PRO 10 -3.974 15.790 -4.702 59 H THR 11 H THR 11 -7.642 15.730 -0.834 60 HA THR 11 HA THR 11 -7.530 13.077 0.170 61 HB THR 11 HB THR 11 -9.283 15.339 1.146 62 HG1 THR 11 1HG THR 11 -7.426 15.531 2.671 63 HG21 THR 11 1HG2 THR 11 -8.819 12.616 2.040 64 HG22 THR 11 2HG2 THR 11 -10.034 13.782 2.565 65 HG23 THR 11 3HG2 THR 11 -8.426 13.796 3.289 66 H ASN 12 H ASN 12 -8.800 11.417 -0.306 67 HA ASN 12 HA ASN 12 -11.552 11.960 -1.208 68 HB2 ASN 12 1HB ASN 12 -10.261 11.252 -3.129 69 HB3 ASN 12 2HB ASN 12 -9.629 9.867 -2.242 70 HD21 ASN 12 1HD2 ASN 12 -12.851 11.265 -2.769 71 HD22 ASN 12 2HD2 ASN 12 -13.590 9.792 -3.285 72 H ASN 13 H ASN 13 -13.102 10.273 -0.762 73 HA ASN 13 HA ASN 13 -12.905 9.270 1.867 74 HB2 ASN 13 1HB ASN 13 -14.843 8.443 -0.304 75 HB3 ASN 13 2HB ASN 13 -15.051 8.196 1.427 76 HD21 ASN 13 1HD2 ASN 13 -16.246 9.629 2.437 77 HD22 ASN 13 2HD2 ASN 13 -16.562 11.245 1.913 78 H PHE 14 H PHE 14 -12.130 7.415 2.649 79 HA PHE 14 HA PHE 14 -10.791 5.583 0.892 80 HB2 PHE 14 1HB PHE 14 -11.260 5.148 3.835 81 HB3 PHE 14 2HB PHE 14 -9.925 4.569 2.843 82 HD1 PHE 14 2HD PHE 14 -8.351 6.346 1.858 83 HD2 PHE 14 1HD PHE 14 -11.038 7.090 5.074 84 HE1 PHE 14 2HE PHE 14 -7.011 8.300 2.522 85 HE2 PHE 14 1HE PHE 14 -9.703 9.046 5.742 86 HZ PHE 14 HZ PHE 14 -7.686 9.652 4.466 87 H GLY 15 H GLY 15 -11.090 3.153 1.311 88 HA2 GLY 15 1HA GLY 15 -13.251 1.845 2.236 89 HA3 GLY 15 2HA GLY 15 -13.868 2.547 0.747 90 H ASN 16 H ASN 16 -11.362 2.317 -0.691 91 HA ASN 16 HA ASN 16 -11.070 -0.602 -0.877 92 HB2 ASN 16 1HB ASN 16 -11.074 1.034 -3.382 93 HB3 ASN 16 2HB ASN 16 -11.475 -0.666 -3.156 94 HD21 ASN 16 1HD2 ASN 16 -13.388 -0.790 -1.397 95 HD22 ASN 16 2HD2 ASN 16 -14.769 0.143 -1.852 96 H CYS 17 H CYS 17 -9.210 -1.038 -2.593 97 HA CYS 17 HA CYS 17 -6.835 -0.054 -1.435 98 HB2 CYS 17 1HB CYS 17 -6.984 -2.255 -2.524 99 HB3 CYS 17 2HB CYS 17 -7.219 -1.469 -4.082 100 H THR 18 H THR 18 -5.300 1.392 -2.176 101 HA THR 18 HA THR 18 -6.322 3.435 -3.991 102 HB THR 18 HB THR 18 -3.694 3.639 -2.556 103 HG1 THR 18 1HG THR 18 -5.795 3.055 -1.242 104 HG21 THR 18 1HG2 THR 18 -3.869 5.870 -2.948 105 HG22 THR 18 2HG2 THR 18 -5.623 5.875 -2.767 106 HG23 THR 18 3HG2 THR 18 -4.893 5.318 -4.272 107 H GLY 19 H GLY 19 -5.130 0.717 -4.761 108 HA2 GLY 19 1HA GLY 19 -3.204 1.806 -6.717 109 HA3 GLY 19 2HA GLY 19 -2.918 0.276 -5.903 110 H CYS 20 H CYS 20 -5.327 -0.964 -6.014 111 HA CYS 20 HA CYS 20 -5.786 -1.219 -8.914 112 HB2 CYS 20 1HB CYS 20 -6.428 -3.584 -8.407 113 HB3 CYS 20 2HB CYS 20 -4.740 -3.213 -8.067 114 H SER 21 H SER 21 -7.152 0.019 -6.241 115 HA SER 21 HA SER 21 -9.272 0.473 -5.528 116 HB2 SER 21 1HB SER 21 -9.689 0.318 -8.520 117 HB3 SER 21 2HB SER 21 -10.905 0.923 -7.395 118 HG SER 21 HG SER 21 -9.066 2.366 -6.689 119 H ALA 22 H ALA 22 -8.777 -2.076 -4.978 120 HA ALA 22 HA ALA 22 -11.172 -3.548 -5.866 121 HB1 ALA 22 1HB ALA 22 -8.407 -4.338 -5.656 122 HB2 ALA 22 2HB ALA 22 -9.441 -5.384 -4.682 123 HB3 ALA 22 3HB ALA 22 -9.764 -5.181 -6.404 124 H THR 23 H THR 23 -12.689 -3.192 -4.355 125 HA THR 23 HA THR 23 -12.543 -2.464 -1.772 126 HB THR 23 HB THR 23 -14.431 -4.663 -2.614 127 HG1 THR 23 1HG THR 23 -15.721 -3.036 -3.493 128 HG21 THR 23 1HG2 THR 23 -15.715 -2.680 -1.105 129 HG22 THR 23 2HG2 THR 23 -14.172 -2.968 -0.300 130 HG23 THR 23 3HG2 THR 23 -15.283 -4.308 -0.584 131 H PHE 24 H PHE 24 -12.388 -3.444 0.260 132 HA PHE 24 HA PHE 24 -10.755 -5.857 0.283 133 HB2 PHE 24 1HB PHE 24 -11.500 -4.050 2.591 134 HB3 PHE 24 2HB PHE 24 -10.250 -5.290 2.585 135 HD1 PHE 24 1HD PHE 24 -8.172 -4.951 1.328 136 HD2 PHE 24 2HD PHE 24 -11.123 -1.899 1.636 137 HE1 PHE 24 1HE PHE 24 -6.520 -3.284 0.589 138 HE2 PHE 24 2HE PHE 24 -9.477 -0.227 0.896 139 HZ PHE 24 HZ PHE 24 -7.172 -0.919 0.371 140 H SER 25 H SER 25 -11.221 -7.662 1.611 141 HA SER 25 HA SER 25 -13.894 -7.865 2.751 142 HB2 SER 25 1HB SER 25 -13.785 -8.618 0.230 143 HB3 SER 25 2HB SER 25 -13.051 -10.071 0.908 144 HG SER 25 HG SER 25 -15.638 -9.034 1.306 145 H VAL 26 H VAL 26 -14.108 -10.339 3.528 146 HA VAL 26 HA VAL 26 -12.559 -10.701 5.721 147 HB VAL 26 HB VAL 26 -13.647 -12.926 3.989 148 HG11 VAL 26 1HG1 VAL 26 -13.441 -13.273 6.904 149 HG12 VAL 26 2HG1 VAL 26 -13.141 -14.420 5.598 150 HG13 VAL 26 3HG1 VAL 26 -11.908 -13.236 6.035 151 HG21 VAL 26 1HG2 VAL 26 -14.870 -11.394 6.281 152 HG22 VAL 26 2HG2 VAL 26 -15.395 -11.382 4.598 153 HG23 VAL 26 3HG2 VAL 26 -15.564 -12.848 5.563 154 H LEU 27 H LEU 27 -11.899 -12.102 2.517 155 HA LEU 27 HA LEU 27 -9.440 -13.302 3.313 156 HB2 LEU 27 1HB LEU 27 -10.832 -12.815 0.722 157 HB3 LEU 27 2HB LEU 27 -9.132 -13.282 0.707 158 HG LEU 27 HG LEU 27 -11.229 -14.913 2.116 159 HD11 LEU 27 1HD1 LEU 27 -10.980 -14.497 -0.690 160 HD12 LEU 27 2HD1 LEU 27 -12.066 -15.581 0.178 161 HD13 LEU 27 3HD1 LEU 27 -10.467 -16.141 -0.310 162 HD21 LEU 27 1HD2 LEU 27 -9.616 -16.486 2.381 163 HD22 LEU 27 2HD2 LEU 27 -8.578 -15.060 2.343 164 HD23 LEU 27 3HD2 LEU 27 -8.780 -16.043 0.892 165 H LYS 28 H LYS 28 -10.143 -10.509 1.207 166 HA LYS 28 HA LYS 28 -7.389 -9.655 1.278 167 HB2 LYS 28 1HB LYS 28 -8.946 -9.394 -0.705 168 HB3 LYS 28 2HB LYS 28 -9.755 -8.121 0.201 169 HG2 LYS 28 1HG LYS 28 -7.829 -6.748 0.173 170 HG3 LYS 28 2HG LYS 28 -6.813 -8.068 -0.411 171 HD2 LYS 28 1HD LYS 28 -9.155 -7.092 -2.011 172 HD3 LYS 28 2HD LYS 28 -7.593 -6.275 -2.093 173 HE2 LYS 28 1HE LYS 28 -7.347 -7.765 -3.807 174 HE3 LYS 28 2HE LYS 28 -6.717 -8.733 -2.475 175 HZ1 LYS 28 1HZ LYS 28 -8.731 -9.445 -4.172 176 HZ2 LYS 28 2HZ LYS 28 -9.547 -8.998 -2.760 177 HZ3 LYS 28 3HZ LYS 28 -8.354 -10.197 -2.705 178 H LYS 29 H LYS 29 -6.842 -9.072 3.340 179 HA LYS 29 HA LYS 29 -8.516 -7.343 4.920 180 HB2 LYS 29 1HB LYS 29 -6.638 -7.401 6.532 181 HB3 LYS 29 2HB LYS 29 -7.161 -9.007 6.043 182 HG2 LYS 29 1HG LYS 29 -5.228 -8.658 4.250 183 HG3 LYS 29 2HG LYS 29 -4.615 -7.595 5.519 184 HD2 LYS 29 1HD LYS 29 -5.559 -10.312 6.284 185 HD3 LYS 29 2HD LYS 29 -4.007 -10.167 5.454 186 HE2 LYS 29 1HE LYS 29 -3.328 -8.492 7.172 187 HE3 LYS 29 2HE LYS 29 -4.827 -8.837 8.033 188 HZ1 LYS 29 1HZ LYS 29 -3.893 -10.602 8.955 189 HZ2 LYS 29 2HZ LYS 29 -2.419 -10.190 8.235 190 HZ3 LYS 29 3HZ LYS 29 -3.478 -11.247 7.447 191 H ARG 30 H ARG 30 -8.411 -5.184 5.123 192 HA ARG 30 HA ARG 30 -6.995 -3.644 3.224 193 HB2 ARG 30 1HB ARG 30 -9.167 -3.038 4.397 194 HB3 ARG 30 2HB ARG 30 -8.187 -2.605 5.791 195 HG2 ARG 30 1HG ARG 30 -7.242 -0.782 4.727 196 HG3 ARG 30 2HG ARG 30 -7.607 -1.407 3.117 197 HD2 ARG 30 1HD ARG 30 -9.798 -0.720 3.199 198 HD3 ARG 30 2HD ARG 30 -9.860 -0.775 4.961 199 HE ARG 30 HE ARG 30 -9.001 1.435 3.315 200 HH11 ARG 30 2HH1 ARG 30 -8.941 -0.018 6.478 201 HH12 ARG 30 1HH1 ARG 30 -8.599 1.470 7.298 202 HH21 ARG 30 2HH2 ARG 30 -8.551 3.400 4.383 203 HH22 ARG 30 1HH2 ARG 30 -8.379 3.413 6.105 204 H ARG 31 H ARG 31 -4.810 -3.772 3.298 205 HA ARG 31 HA ARG 31 -3.408 -3.521 5.830 206 HB2 ARG 31 1HB ARG 31 -2.681 -4.284 3.053 207 HB3 ARG 31 2HB ARG 31 -1.416 -3.561 4.037 208 HG2 ARG 31 1HG ARG 31 -1.510 -5.294 5.621 209 HG3 ARG 31 2HG ARG 31 -3.045 -5.894 4.989 210 HD2 ARG 31 1HD ARG 31 -1.715 -6.263 2.798 211 HD3 ARG 31 2HD ARG 31 -0.294 -6.145 3.835 212 HE ARG 31 HE ARG 31 -2.319 -8.027 4.698 213 HH11 ARG 31 2HH1 ARG 31 0.635 -7.517 2.928 214 HH12 ARG 31 1HH1 ARG 31 1.121 -9.178 3.005 215 HH21 ARG 31 2HH2 ARG 31 -1.690 -10.216 4.806 216 HH22 ARG 31 1HH2 ARG 31 -0.202 -10.713 4.073 217 H SER 32 H SER 32 -1.963 -1.862 6.344 218 HA SER 32 HA SER 32 -2.423 0.637 4.859 219 HB2 SER 32 1HB SER 32 -1.742 1.764 6.995 220 HB3 SER 32 2HB SER 32 -3.211 0.799 7.134 221 HG SER 32 HG SER 32 -1.562 0.537 8.835 222 H CYS 33 H CYS 33 -0.771 1.619 3.884 223 HA CYS 33 HA CYS 33 1.736 0.386 3.610 224 HB2 CYS 33 1HB CYS 33 0.663 1.994 1.990 225 HB3 CYS 33 2HB CYS 33 1.126 3.297 3.080 226 H SER 34 H SER 34 3.850 1.454 4.095 227 HA SER 34 HA SER 34 3.812 2.464 6.857 228 HB2 SER 34 1HB SER 34 5.725 0.767 5.309 229 HB3 SER 34 2HB SER 34 6.360 1.781 6.605 230 HG SER 34 HG SER 34 5.092 -0.554 6.798 231 H ASN 35 H ASN 35 4.880 3.143 3.613 232 HA ASN 35 HA ASN 35 6.492 5.412 4.430 233 HB2 ASN 35 1HB ASN 35 7.273 4.104 2.543 234 HB3 ASN 35 2HB ASN 35 5.749 4.350 1.697 235 HD21 ASN 35 1HD2 ASN 35 6.108 5.622 0.032 236 HD22 ASN 35 2HD2 ASN 35 7.028 7.084 0.050 237 H CYS 36 H CYS 36 3.961 5.197 1.938 238 HA CYS 36 HA CYS 36 3.245 7.927 2.204 239 HB2 CYS 36 1HB CYS 36 1.550 7.484 0.584 240 HB3 CYS 36 2HB CYS 36 2.940 6.496 0.145 241 H GLY 37 H GLY 37 1.942 4.935 3.524 242 HA2 GLY 37 1HA GLY 37 0.662 4.673 5.443 243 HA3 GLY 37 2HA GLY 37 0.560 6.422 5.578 244 H ASN 38 H ASN 38 -0.350 4.450 2.793 245 HA ASN 38 HA ASN 38 -3.113 5.409 3.138 246 HB2 ASN 38 1HB ASN 38 -1.816 4.515 0.558 247 HB3 ASN 38 2HB ASN 38 -3.370 5.322 0.748 248 HD21 ASN 38 1HD2 ASN 38 -1.156 6.147 -0.870 249 HD22 ASN 38 2HD2 ASN 38 -0.659 7.698 -0.294 250 H SER 39 H SER 39 -4.673 3.889 1.810 251 HA SER 39 HA SER 39 -4.422 1.278 3.047 252 HB2 SER 39 1HB SER 39 -6.721 0.964 2.520 253 HB3 SER 39 2HB SER 39 -6.566 2.652 3.006 254 HG SER 39 HG SER 39 -7.310 1.592 0.607 255 H PHE 40 H PHE 40 -4.338 -0.679 1.977 256 HA PHE 40 HA PHE 40 -4.356 -0.811 -0.900 257 HB2 PHE 40 1HB PHE 40 -1.791 -1.217 0.642 258 HB3 PHE 40 2HB PHE 40 -2.035 -1.798 -1.001 259 HD1 PHE 40 1HD PHE 40 -2.593 -0.091 -2.797 260 HD2 PHE 40 2HD PHE 40 -1.100 0.970 1.045 261 HE1 PHE 40 1HE PHE 40 -1.894 2.099 -3.676 262 HE2 PHE 40 2HE PHE 40 -0.401 3.161 0.173 263 HZ PHE 40 HZ PHE 40 -0.798 3.728 -2.191 264 H CYS 41 H CYS 41 -4.144 -3.022 -1.696 265 HA CYS 41 HA CYS 41 -5.396 -4.884 0.122 266 HB2 CYS 41 1HB CYS 41 -5.594 -6.339 -1.840 267 HB3 CYS 41 2HB CYS 41 -6.168 -4.715 -2.202 268 H SER 42 H SER 42 -4.569 -7.298 -0.274 269 HA SER 42 HA SER 42 -1.965 -7.379 0.932 270 HB2 SER 42 1HB SER 42 -2.381 -9.653 1.342 271 HB3 SER 42 2HB SER 42 -3.988 -8.928 1.398 272 HG SER 42 HG SER 42 -4.137 -10.713 0.104 273 H ARG 43 H ARG 43 -2.845 -6.961 -2.169 274 HA ARG 43 HA ARG 43 -0.700 -8.636 -3.276 275 HB2 ARG 43 1HB ARG 43 -3.179 -8.520 -4.179 276 HB3 ARG 43 2HB ARG 43 -2.584 -7.081 -4.997 277 HG2 ARG 43 1HG ARG 43 -0.973 -9.559 -5.234 278 HG3 ARG 43 2HG ARG 43 -2.503 -9.479 -6.112 279 HD2 ARG 43 1HD ARG 43 -1.153 -8.560 -7.692 280 HD3 ARG 43 2HD ARG 43 -1.538 -7.096 -6.787 281 HE ARG 43 HE ARG 43 0.646 -6.983 -6.105 282 HH11 ARG 43 2HH1 ARG 43 0.015 -10.145 -7.418 283 HH12 ARG 43 1HH1 ARG 43 1.678 -10.632 -7.390 284 HH21 ARG 43 2HH2 ARG 43 2.838 -7.612 -6.062 285 HH22 ARG 43 1HH2 ARG 43 3.283 -9.190 -6.618 286 H CYS 44 H CYS 44 -1.761 -5.338 -2.840 287 HA CYS 44 HA CYS 44 0.435 -4.294 -4.446 288 HB2 CYS 44 1HB CYS 44 -1.836 -2.955 -2.973 289 HB3 CYS 44 2HB CYS 44 -0.562 -2.063 -3.798 290 H CYS 45 H CYS 45 -0.541 -4.629 -1.099 291 HA CYS 45 HA CYS 45 1.812 -3.148 -0.197 292 HB2 CYS 45 1HB CYS 45 -0.389 -2.698 0.867 293 HB3 CYS 45 2HB CYS 45 -0.428 -4.364 1.432 294 HG CYS 45 HG CYS 45 1.782 -4.100 3.109 295 H SER 46 H SER 46 2.342 -5.554 -1.521 296 HA SER 46 HA SER 46 3.192 -7.319 0.680 297 HB2 SER 46 1HB SER 46 1.616 -8.156 -1.235 298 HB3 SER 46 2HB SER 46 3.102 -8.215 -2.183 299 HG SER 46 HG SER 46 3.859 -9.797 -0.940 300 H PHE 47 H PHE 47 4.562 -4.911 -0.287 301 HA PHE 47 HA PHE 47 7.050 -6.154 -1.261 302 HB2 PHE 47 1HB PHE 47 5.984 -3.366 -1.741 303 HB3 PHE 47 2HB PHE 47 7.612 -3.882 -2.169 304 HD1 PHE 47 1HD PHE 47 4.057 -4.165 -2.967 305 HD2 PHE 47 2HD PHE 47 7.998 -5.374 -4.025 306 HE1 PHE 47 1HE PHE 47 3.219 -4.990 -5.128 307 HE2 PHE 47 2HE PHE 47 7.167 -6.201 -6.188 308 HZ PHE 47 HZ PHE 47 4.776 -6.009 -6.743 309 H LYS 48 H LYS 48 8.661 -6.169 0.147 310 HA LYS 48 HA LYS 48 8.504 -4.475 2.520 311 HB2 LYS 48 1HB LYS 48 10.093 -6.922 1.798 312 HB3 LYS 48 2HB LYS 48 10.546 -5.928 3.177 313 HG2 LYS 48 1HG LYS 48 7.981 -6.251 3.769 314 HG3 LYS 48 2HG LYS 48 8.211 -7.711 2.804 315 HD2 LYS 48 1HD LYS 48 9.867 -6.896 5.192 316 HD3 LYS 48 2HD LYS 48 8.606 -8.130 5.186 317 HE2 LYS 48 1HE LYS 48 10.035 -9.142 3.238 318 HE3 LYS 48 2HE LYS 48 11.326 -8.181 3.958 319 HZ1 LYS 48 1HZ LYS 48 11.612 -9.878 5.340 320 HZ2 LYS 48 2HZ LYS 48 10.173 -10.629 4.865 321 HZ3 LYS 48 3HZ LYS 48 10.150 -9.448 6.075 322 H VAL 49 H VAL 49 9.873 -2.840 2.958 323 HA VAL 49 HA VAL 49 12.284 -2.512 1.330 324 HB VAL 49 HB VAL 49 11.803 -0.144 0.916 325 HG11 VAL 49 1HG1 VAL 49 10.099 -2.314 -0.155 326 HG12 VAL 49 2HG1 VAL 49 9.628 -0.659 -0.546 327 HG13 VAL 49 3HG1 VAL 49 11.233 -1.248 -0.983 328 HG21 VAL 49 1HG2 VAL 49 9.056 -0.728 2.016 329 HG22 VAL 49 2HG2 VAL 49 10.303 0.199 2.849 330 HG23 VAL 49 3HG2 VAL 49 9.617 0.802 1.341 331 HA PRO 50 HA PRO 50 14.123 -1.252 5.115 332 HB2 PRO 50 1HB PRO 50 16.081 0.390 4.199 333 HB3 PRO 50 2HB PRO 50 16.141 -1.367 4.023 334 HG2 PRO 50 1HG PRO 50 15.328 0.709 2.026 335 HG3 PRO 50 2HG PRO 50 16.338 -0.730 1.795 336 HD2 PRO 50 1HD PRO 50 13.727 -0.652 1.080 337 HD3 PRO 50 2HD PRO 50 14.518 -2.137 1.646 338 H LYS 51 H LYS 51 13.569 0.194 6.617 339 HA LYS 51 HA LYS 51 12.304 2.677 5.814 340 HB2 LYS 51 1HB LYS 51 11.881 2.907 8.288 341 HB3 LYS 51 2HB LYS 51 11.174 1.482 7.538 342 HG2 LYS 51 1HG LYS 51 12.577 0.042 8.619 343 HG3 LYS 51 2HG LYS 51 13.866 1.238 8.774 344 HD2 LYS 51 1HD LYS 51 13.116 1.098 10.948 345 HD3 LYS 51 2HD LYS 51 12.155 2.447 10.339 346 HE2 LYS 51 1HE LYS 51 10.228 1.139 10.151 347 HE3 LYS 51 2HE LYS 51 11.137 -0.371 10.210 348 HZ1 LYS 51 1HZ LYS 51 10.771 -0.432 12.377 349 HZ2 LYS 51 2HZ LYS 51 9.975 1.060 12.334 350 HZ3 LYS 51 3HZ LYS 51 11.648 1.001 12.576 351 H SER 52 H SER 52 15.136 2.431 5.333 352 HA SER 52 HA SER 52 16.175 4.476 7.183 353 HB2 SER 52 1HB SER 52 17.557 2.558 7.397 354 HB3 SER 52 2HB SER 52 17.588 2.292 5.654 355 HG SER 52 HG SER 52 18.557 4.729 6.582 356 H SER 53 H SER 53 16.064 3.431 3.804 357 HA SER 53 HA SER 53 17.426 5.665 2.735 358 HB2 SER 53 1HB SER 53 16.681 4.898 0.588 359 HB3 SER 53 2HB SER 53 17.014 3.465 1.562 360 HG SER 53 HG SER 53 14.644 4.369 0.514 361 H MET 54 H MET 54 14.079 5.078 3.573 362 HA MET 54 HA MET 54 12.876 7.186 2.183 363 HB2 MET 54 1HB MET 54 12.173 5.647 4.653 364 HB3 MET 54 2HB MET 54 11.220 7.058 4.213 365 HG2 MET 54 1HG MET 54 10.052 5.321 3.245 366 HG3 MET 54 2HG MET 54 11.021 5.936 1.908 367 HE1 MET 54 1HE MET 54 11.152 1.826 3.821 368 HE2 MET 54 2HE MET 54 10.668 3.291 4.674 369 HE3 MET 54 3HE MET 54 9.736 2.730 3.285 370 H GLY 55 H GLY 55 13.480 9.251 2.282 371 HA2 GLY 55 1HA GLY 55 14.375 11.211 3.131 372 HA3 GLY 55 2HA GLY 55 13.095 10.983 4.313 373 H ALA 56 H ALA 56 13.996 11.578 6.192 374 HA ALA 56 HA ALA 56 16.728 11.034 6.848 375 HB1 ALA 56 1HB ALA 56 15.387 11.679 9.210 376 HB2 ALA 56 2HB ALA 56 16.302 12.769 8.168 377 HB3 ALA 56 3HB ALA 56 14.563 12.586 7.942 378 H THR 57 H THR 57 17.352 9.874 8.855 379 HA THR 57 HA THR 57 15.573 7.683 9.608 380 HB THR 57 HB THR 57 16.882 6.756 7.764 381 HG1 THR 57 1HG THR 57 17.760 5.791 10.302 382 HG21 THR 57 1HG2 THR 57 19.326 6.513 7.975 383 HG22 THR 57 2HG2 THR 57 19.285 7.500 9.436 384 HG23 THR 57 3HG2 THR 57 18.834 8.204 7.883 385 H ALA 58 H ALA 58 15.909 6.893 11.660 386 HA ALA 58 HA ALA 58 17.435 8.575 13.426 387 HB1 ALA 58 1HB ALA 58 15.224 6.814 13.664 388 HB2 ALA 58 2HB ALA 58 16.473 6.278 14.788 389 HB3 ALA 58 3HB ALA 58 15.873 7.934 14.862 390 HA PRO 59 HA PRO 59 21.090 6.210 13.973 391 HB2 PRO 59 1HB PRO 59 21.442 6.197 16.665 392 HB3 PRO 59 2HB PRO 59 21.678 7.640 15.673 393 HG2 PRO 59 1HG PRO 59 19.316 6.848 17.333 394 HG3 PRO 59 2HG PRO 59 20.090 8.435 17.174 395 HD2 PRO 59 1HD PRO 59 17.812 7.788 15.861 396 HD3 PRO 59 2HD PRO 59 19.022 8.898 15.185 397 H GLU 60 H GLU 60 18.159 4.957 14.792 398 HA GLU 60 HA GLU 60 19.337 2.398 15.658 399 HB2 GLU 60 1HB GLU 60 16.594 3.515 16.267 400 HB3 GLU 60 2HB GLU 60 17.143 1.904 16.708 401 HG2 GLU 60 1HG GLU 60 19.045 3.125 17.937 402 HG3 GLU 60 2HG GLU 60 18.021 4.551 17.785 403 H ALA 61 H ALA 61 16.522 3.763 13.949 404 HA ALA 61 HA ALA 61 15.861 1.349 12.617 405 HB1 ALA 61 1HB ALA 61 14.012 2.549 12.342 406 HB2 ALA 61 2HB ALA 61 14.858 4.048 12.730 407 HB3 ALA 61 3HB ALA 61 14.853 3.441 11.074 408 H GLN 62 H GLN 62 17.847 0.624 11.720 409 HA GLN 62 HA GLN 62 18.573 2.025 9.235 410 HB2 GLN 62 1HB GLN 62 20.450 0.633 11.152 411 HB3 GLN 62 2HB GLN 62 20.909 1.268 9.578 412 HG2 GLN 62 1HG GLN 62 19.727 2.984 11.739 413 HG3 GLN 62 2HG GLN 62 21.459 2.702 11.577 414 HE21 GLN 62 1HE2 GLN 62 21.237 5.135 11.410 415 HE22 GLN 62 2HE2 GLN 62 21.078 5.785 9.818 416 H ARG 63 H ARG 63 18.779 -1.084 10.957 417 HA ARG 63 HA ARG 63 18.705 -2.466 8.369 418 HB2 ARG 63 1HB ARG 63 19.694 -3.201 11.091 419 HB3 ARG 63 2HB ARG 63 19.172 -4.483 10.007 420 HG2 ARG 63 1HG ARG 63 21.071 -2.455 8.960 421 HG3 ARG 63 2HG ARG 63 21.674 -3.668 10.091 422 HD2 ARG 63 1HD ARG 63 21.105 -5.441 8.660 423 HD3 ARG 63 2HD ARG 63 20.057 -4.420 7.677 424 HE ARG 63 HE ARG 63 22.912 -4.710 7.448 425 HH11 ARG 63 2HH1 ARG 63 20.160 -2.689 6.769 426 HH12 ARG 63 1HH1 ARG 63 20.927 -1.864 5.452 427 HH21 ARG 63 2HH2 ARG 63 23.932 -3.632 5.716 428 HH22 ARG 63 1HH2 ARG 63 23.072 -2.402 4.853 429 H GLU 64 H GLU 64 16.347 -1.233 9.464 430 HA GLU 64 HA GLU 64 14.734 -3.546 10.278 431 HB2 GLU 64 1HB GLU 64 14.790 -1.174 11.461 432 HB3 GLU 64 2HB GLU 64 13.624 -0.778 10.206 433 HG2 GLU 64 1HG GLU 64 12.380 -1.431 12.095 434 HG3 GLU 64 2HG GLU 64 12.296 -2.774 10.955 435 H THR 65 H THR 65 12.908 -4.168 9.150 436 HA THR 65 HA THR 65 12.664 -3.037 6.440 437 HB THR 65 HB THR 65 11.674 -5.265 5.817 438 HG1 THR 65 1HG THR 65 12.401 -6.971 7.386 439 HG21 THR 65 1HG2 THR 65 14.209 -6.271 6.577 440 HG22 THR 65 2HG2 THR 65 14.404 -4.549 6.250 441 HG23 THR 65 3HG2 THR 65 13.723 -5.610 5.017 442 H VAL 66 H VAL 66 10.617 -2.680 5.574 443 HA VAL 66 HA VAL 66 8.313 -3.056 7.347 444 HB VAL 66 HB VAL 66 7.501 -0.794 6.941 445 HG11 VAL 66 1HG1 VAL 66 10.170 -1.189 8.214 446 HG12 VAL 66 2HG1 VAL 66 9.490 0.436 8.113 447 HG13 VAL 66 3HG1 VAL 66 8.610 -0.839 8.957 448 HG21 VAL 66 1HG2 VAL 66 10.031 0.272 5.932 449 HG22 VAL 66 2HG2 VAL 66 9.192 -0.780 4.792 450 HG23 VAL 66 3HG2 VAL 66 8.374 0.637 5.451 451 H PHE 67 H PHE 67 6.235 -2.739 6.218 452 HA PHE 67 HA PHE 67 6.440 -3.713 3.463 453 HB2 PHE 67 1HB PHE 67 4.169 -3.777 5.456 454 HB3 PHE 67 2HB PHE 67 4.019 -4.317 3.787 455 HD1 PHE 67 2HD PHE 67 5.439 -6.238 3.004 456 HD2 PHE 67 1HD PHE 67 5.067 -5.172 7.108 457 HE1 PHE 67 2HE PHE 67 6.252 -8.467 3.653 458 HE2 PHE 67 1HE PHE 67 5.881 -7.399 7.764 459 HZ PHE 67 HZ PHE 67 6.474 -9.051 6.036 460 H VAL 68 H VAL 68 5.933 -2.461 1.793 461 HA VAL 68 HA VAL 68 4.288 -0.064 2.281 462 HB VAL 68 HB VAL 68 5.598 1.163 0.640 463 HG11 VAL 68 1HG1 VAL 68 7.225 -0.112 2.833 464 HG12 VAL 68 2HG1 VAL 68 7.754 1.288 1.897 465 HG13 VAL 68 3HG1 VAL 68 6.313 1.396 2.909 466 HG21 VAL 68 1HG2 VAL 68 6.279 -1.158 -0.455 467 HG22 VAL 68 2HG2 VAL 68 7.258 0.295 -0.658 468 HG23 VAL 68 3HG2 VAL 68 7.714 -0.916 0.540 469 H CYS 69 H CYS 69 3.577 0.871 0.033 470 HA CYS 69 HA CYS 69 2.246 -1.330 -1.355 471 HB2 CYS 69 1HB CYS 69 0.671 0.273 -2.139 472 HB3 CYS 69 2HB CYS 69 0.966 0.658 -0.447 473 H ALA 70 H ALA 70 2.331 -1.619 -3.579 474 HA ALA 70 HA ALA 70 4.662 -1.473 -4.915 475 HB1 ALA 70 1HB ALA 70 3.529 -1.976 -6.859 476 HB2 ALA 70 2HB ALA 70 2.350 -2.436 -5.629 477 HB3 ALA 70 3HB ALA 70 2.184 -0.900 -6.480 478 H SER 71 H SER 71 2.101 0.980 -5.334 479 HA SER 71 HA SER 71 3.292 2.759 -6.975 480 HB2 SER 71 1HB SER 71 1.477 3.112 -4.632 481 HB3 SER 71 2HB SER 71 2.185 4.555 -5.357 482 HG SER 71 HG SER 71 0.680 2.565 -6.716 483 H CYS 72 H CYS 72 4.007 2.325 -3.552 484 HA CYS 72 HA CYS 72 5.924 4.493 -3.530 485 HB2 CYS 72 1HB CYS 72 5.115 2.447 -1.461 486 HB3 CYS 72 2HB CYS 72 6.369 3.652 -1.185 487 H ASN 73 H ASN 73 6.175 1.016 -2.758 488 HA ASN 73 HA ASN 73 8.822 0.638 -2.606 489 HB2 ASN 73 1HB ASN 73 7.233 -1.208 -2.454 490 HB3 ASN 73 2HB ASN 73 6.915 -1.104 -4.184 491 HD21 ASN 73 1HD2 ASN 73 8.655 -1.604 -5.639 492 HD22 ASN 73 2HD2 ASN 73 9.884 -2.718 -5.154 493 H GLN 74 H GLN 74 7.039 1.136 -5.611 494 HA GLN 74 HA GLN 74 9.182 0.664 -7.378 495 HB2 GLN 74 1HB GLN 74 6.555 2.074 -7.575 496 HB3 GLN 74 2HB GLN 74 7.730 2.285 -8.866 497 HG2 GLN 74 1HG GLN 74 5.997 0.462 -9.165 498 HG3 GLN 74 2HG GLN 74 7.681 0.021 -9.440 499 HE21 GLN 74 1HE2 GLN 74 4.856 -0.576 -7.640 500 HE22 GLN 74 2HE2 GLN 74 5.491 -1.807 -6.607 501 H THR 75 H THR 75 7.974 3.629 -5.862 502 HA THR 75 HA THR 75 9.825 5.359 -7.152 503 HB THR 75 HB THR 75 8.253 5.766 -4.600 504 HG1 THR 75 1HG THR 75 6.757 6.721 -5.919 505 HG21 THR 75 1HG2 THR 75 8.994 8.141 -6.104 506 HG22 THR 75 2HG2 THR 75 10.401 7.259 -5.510 507 HG23 THR 75 3HG2 THR 75 9.158 7.800 -4.382 508 H LEU 76 H LEU 76 9.722 3.927 -3.897 509 HA LEU 76 HA LEU 76 12.015 5.054 -2.842 510 HB2 LEU 76 1HB LEU 76 10.967 2.260 -2.409 511 HB3 LEU 76 2HB LEU 76 12.127 3.089 -1.373 512 HG LEU 76 HG LEU 76 9.293 4.014 -1.831 513 HD11 LEU 76 1HD1 LEU 76 9.152 1.933 -0.698 514 HD12 LEU 76 2HD1 LEU 76 8.959 3.197 0.516 515 HD13 LEU 76 3HD1 LEU 76 10.497 2.347 0.366 516 HD21 LEU 76 1HD2 LEU 76 11.312 4.820 0.259 517 HD22 LEU 76 2HD2 LEU 76 9.696 5.489 0.027 518 HD23 LEU 76 3HD2 LEU 76 10.944 5.751 -1.193 519 H SER 77 H SER 77 11.781 1.862 -4.424 520 HA SER 77 HA SER 77 14.675 1.791 -4.722 521 HB2 SER 77 1HB SER 77 12.494 -0.221 -5.283 522 HB3 SER 77 2HB SER 77 14.180 -0.499 -5.718 523 HG SER 77 HG SER 77 14.681 -0.168 -3.474 524 H LYS 78 H LYS 78 13.464 3.834 -6.184 525 HA LYS 78 HA LYS 78 13.306 2.907 -8.943 526 HB2 LYS 78 1HB LYS 78 11.807 4.720 -7.778 527 HB3 LYS 78 2HB LYS 78 13.152 5.790 -8.146 528 HG2 LYS 78 1HG LYS 78 12.929 5.372 -10.491 529 HG3 LYS 78 2HG LYS 78 11.724 4.116 -10.199 530 HD2 LYS 78 1HD LYS 78 10.542 6.065 -10.873 531 HD3 LYS 78 2HD LYS 78 10.289 5.889 -9.135 532 HE2 LYS 78 1HE LYS 78 10.740 8.187 -9.555 533 HE3 LYS 78 2HE LYS 78 12.175 7.504 -8.792 534 HZ1 LYS 78 1HZ LYS 78 12.915 7.160 -11.242 535 HZ2 LYS 78 2HZ LYS 78 13.080 8.679 -10.519 536 HZ3 LYS 78 3HZ LYS 78 11.789 8.379 -11.569 537 H SER 79 H SER 79 15.045 5.518 -7.237 538 HA SER 79 HA SER 79 16.965 6.635 -7.841 539 HB2 SER 79 1HB SER 79 17.961 3.786 -8.079 540 HB3 SER 79 2HB SER 79 18.927 5.215 -7.708 541 HG SER 79 HG SER 79 17.820 5.407 -5.757 542 H GLY 80 H GLY 80 15.264 6.335 -10.067 543 HA2 GLY 80 1HA GLY 80 16.941 5.478 -12.291 544 HA3 GLY 80 2HA GLY 80 15.273 6.025 -12.392 545 HA PRO 81 HA PRO 81 17.406 9.541 -14.213 546 HB2 PRO 81 1HB PRO 81 15.163 10.632 -15.284 547 HB3 PRO 81 2HB PRO 81 16.029 9.287 -16.034 548 HG2 PRO 81 1HG PRO 81 13.568 9.240 -14.332 549 HG3 PRO 81 2HG PRO 81 13.917 8.339 -15.818 550 HD2 PRO 81 1HD PRO 81 14.132 7.229 -13.358 551 HD3 PRO 81 2HD PRO 81 15.177 6.757 -14.713 552 H SER 82 H SER 82 17.346 11.823 -13.867 553 HA SER 82 HA SER 82 17.209 13.668 -12.542 554 HB2 SER 82 1HB SER 82 14.880 13.616 -13.445 555 HB3 SER 82 2HB SER 82 14.385 12.713 -12.014 556 HG SER 82 HG SER 82 15.237 15.385 -12.229 557 H SER 83 H SER 83 18.357 11.434 -11.329 558 HA SER 83 HA SER 83 17.350 11.548 -8.567 559 HB2 SER 83 1HB SER 83 18.674 9.486 -8.198 560 HB3 SER 83 2HB SER 83 17.480 9.287 -9.480 561 HG SER 83 HG SER 83 20.268 9.719 -9.763 562 H GLY 84 H GLY 84 18.311 13.437 -7.864 563 HA2 GLY 84 1HA GLY 84 20.758 13.383 -6.664 564 HA3 GLY 84 2HA GLY 84 21.108 13.957 -8.287 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -18.727 41.696 -17.571 2 HA2 GLY 1 1HA GLY 1 -19.798 42.295 -15.207 3 HA3 GLY 1 2HA GLY 1 -20.263 40.824 -16.049 4 H SER 2 H SER 2 -20.580 39.498 -14.326 5 HA SER 2 HA SER 2 -18.192 38.580 -12.955 6 HB2 SER 2 1HB SER 2 -20.590 39.606 -11.416 7 HB3 SER 2 2HB SER 2 -19.198 38.783 -10.713 8 HG SER 2 HG SER 2 -18.476 40.759 -10.541 9 H SER 3 H SER 3 -18.257 36.442 -12.526 10 HA SER 3 HA SER 3 -20.823 35.051 -12.492 11 HB2 SER 3 1HB SER 3 -20.118 33.414 -14.158 12 HB3 SER 3 2HB SER 3 -20.074 35.033 -14.856 13 HG SER 3 HG SER 3 -17.769 34.993 -14.259 14 H GLY 4 H GLY 4 -20.866 33.389 -11.087 15 HA2 GLY 4 1HA GLY 4 -18.293 32.337 -10.106 16 HA3 GLY 4 2HA GLY 4 -19.510 32.894 -8.967 17 H SER 5 H SER 5 -18.520 30.320 -8.857 18 HA SER 5 HA SER 5 -20.956 28.809 -9.169 19 HB2 SER 5 1HB SER 5 -20.056 28.461 -11.381 20 HB3 SER 5 2HB SER 5 -18.470 28.061 -10.723 21 HG SER 5 HG SER 5 -20.763 26.571 -10.030 22 H SER 6 H SER 6 -20.851 26.712 -8.119 23 HA SER 6 HA SER 6 -18.544 25.954 -6.610 24 HB2 SER 6 1HB SER 6 -19.463 27.916 -5.301 25 HB3 SER 6 2HB SER 6 -20.902 26.943 -4.997 26 HG SER 6 HG SER 6 -18.339 25.937 -4.406 27 H GLY 7 H GLY 7 -18.918 24.013 -5.318 28 HA2 GLY 7 1HA GLY 7 -20.934 22.474 -4.743 29 HA3 GLY 7 2HA GLY 7 -21.083 22.413 -6.493 30 H ARG 8 H ARG 8 -19.578 21.092 -3.758 31 HA ARG 8 HA ARG 8 -18.024 19.300 -5.480 32 HB2 ARG 8 1HB ARG 8 -16.936 20.550 -2.951 33 HB3 ARG 8 2HB ARG 8 -16.103 19.396 -3.984 34 HG2 ARG 8 1HG ARG 8 -16.976 22.143 -4.851 35 HG3 ARG 8 2HG ARG 8 -15.353 21.728 -4.295 36 HD2 ARG 8 1HD ARG 8 -14.953 20.346 -6.150 37 HD3 ARG 8 2HD ARG 8 -16.664 20.276 -6.571 38 HE ARG 8 HE ARG 8 -16.467 22.315 -7.638 39 HH11 ARG 8 2HH1 ARG 8 -13.556 21.591 -5.872 40 HH12 ARG 8 1HH1 ARG 8 -12.638 22.863 -6.608 41 HH21 ARG 8 2HH2 ARG 8 -15.269 23.993 -8.614 42 HH22 ARG 8 1HH2 ARG 8 -13.613 24.229 -8.166 43 H TYR 9 H TYR 9 -17.825 17.201 -4.728 44 HA TYR 9 HA TYR 9 -19.652 16.509 -2.548 45 HB2 TYR 9 1HB TYR 9 -19.060 14.119 -3.565 46 HB3 TYR 9 2HB TYR 9 -20.283 15.160 -4.285 47 HD1 TYR 9 2HD TYR 9 -16.735 14.115 -4.560 48 HD2 TYR 9 1HD TYR 9 -20.055 15.939 -6.496 49 HE1 TYR 9 2HE TYR 9 -15.511 14.066 -6.693 50 HE2 TYR 9 1HE TYR 9 -18.841 15.894 -8.634 51 HH TYR 9 HH TYR 9 -16.944 15.385 -9.664 52 HA PRO 10 HA PRO 10 -16.285 15.626 0.168 53 HB2 PRO 10 1HB PRO 10 -17.654 14.145 1.985 54 HB3 PRO 10 2HB PRO 10 -17.801 15.903 1.873 55 HG2 PRO 10 1HG PRO 10 -19.609 13.778 0.787 56 HG3 PRO 10 2HG PRO 10 -20.029 15.293 1.608 57 HD2 PRO 10 1HD PRO 10 -20.140 15.015 -1.084 58 HD3 PRO 10 2HD PRO 10 -19.734 16.555 -0.298 59 H THR 11 H THR 11 -15.230 14.272 -1.469 60 HA THR 11 HA THR 11 -15.633 11.391 -1.001 61 HB THR 11 HB THR 11 -14.544 11.013 -3.183 62 HG1 THR 11 1HG THR 11 -14.407 13.840 -3.140 63 HG21 THR 11 1HG2 THR 11 -16.900 11.034 -3.286 64 HG22 THR 11 2HG2 THR 11 -16.376 12.088 -4.599 65 HG23 THR 11 3HG2 THR 11 -16.974 12.784 -3.094 66 H ASN 12 H ASN 12 -14.289 11.379 0.857 67 HA ASN 12 HA ASN 12 -11.426 11.471 0.202 68 HB2 ASN 12 1HB ASN 12 -10.863 12.608 2.182 69 HB3 ASN 12 2HB ASN 12 -12.272 13.475 1.577 70 HD21 ASN 12 1HD2 ASN 12 -14.384 12.743 2.469 71 HD22 ASN 12 2HD2 ASN 12 -14.437 12.325 4.145 72 H ASN 13 H ASN 13 -13.923 10.281 2.414 73 HA ASN 13 HA ASN 13 -12.178 8.190 3.412 74 HB2 ASN 13 1HB ASN 13 -13.986 7.618 4.897 75 HB3 ASN 13 2HB ASN 13 -13.823 9.371 4.883 76 HD21 ASN 13 1HD2 ASN 13 -16.114 7.734 5.591 77 HD22 ASN 13 2HD2 ASN 13 -17.398 8.220 4.542 78 H PHE 14 H PHE 14 -11.855 6.421 2.247 79 HA PHE 14 HA PHE 14 -14.147 5.238 0.830 80 HB2 PHE 14 1HB PHE 14 -11.371 5.761 -0.177 81 HB3 PHE 14 2HB PHE 14 -12.292 4.401 -0.812 82 HD1 PHE 14 2HD PHE 14 -14.354 4.783 -2.080 83 HD2 PHE 14 1HD PHE 14 -11.927 8.011 -0.737 84 HE1 PHE 14 2HE PHE 14 -15.499 6.292 -3.649 85 HE2 PHE 14 1HE PHE 14 -13.069 9.526 -2.303 86 HZ PHE 14 HZ PHE 14 -14.857 8.667 -3.763 87 H GLY 15 H GLY 15 -13.630 2.882 0.209 88 HA2 GLY 15 1HA GLY 15 -12.072 1.601 2.363 89 HA3 GLY 15 2HA GLY 15 -13.703 1.064 1.988 90 H ASN 16 H ASN 16 -11.076 1.993 -0.208 91 HA ASN 16 HA ASN 16 -10.918 -0.788 -1.130 92 HB2 ASN 16 1HB ASN 16 -10.879 1.420 -3.154 93 HB3 ASN 16 2HB ASN 16 -11.291 -0.280 -3.365 94 HD21 ASN 16 1HD2 ASN 16 -13.163 -0.707 -1.474 95 HD22 ASN 16 2HD2 ASN 16 -14.555 0.272 -1.769 96 H CYS 17 H CYS 17 -9.051 -0.927 -2.836 97 HA CYS 17 HA CYS 17 -6.681 -0.046 -1.487 98 HB2 CYS 17 1HB CYS 17 -6.795 -2.252 -2.562 99 HB3 CYS 17 2HB CYS 17 -7.005 -1.481 -4.131 100 H THR 18 H THR 18 -5.098 1.365 -2.227 101 HA THR 18 HA THR 18 -6.068 3.383 -4.112 102 HB THR 18 HB THR 18 -3.537 3.693 -2.539 103 HG1 THR 18 1HG THR 18 -6.197 3.915 -1.551 104 HG21 THR 18 1HG2 THR 18 -4.081 6.023 -2.628 105 HG22 THR 18 2HG2 THR 18 -5.700 5.678 -3.238 106 HG23 THR 18 3HG2 THR 18 -4.290 5.365 -4.250 107 H GLY 19 H GLY 19 -4.900 0.722 -4.871 108 HA2 GLY 19 1HA GLY 19 -2.815 1.793 -6.662 109 HA3 GLY 19 2HA GLY 19 -2.571 0.271 -5.817 110 H CYS 20 H CYS 20 -5.183 -0.770 -6.079 111 HA CYS 20 HA CYS 20 -5.385 -1.117 -8.998 112 HB2 CYS 20 1HB CYS 20 -5.964 -3.476 -8.607 113 HB3 CYS 20 2HB CYS 20 -4.360 -3.095 -7.990 114 H SER 21 H SER 21 -6.906 0.004 -6.311 115 HA SER 21 HA SER 21 -9.052 0.540 -5.775 116 HB2 SER 21 1HB SER 21 -9.332 0.232 -8.769 117 HB3 SER 21 2HB SER 21 -10.623 0.841 -7.733 118 HG SER 21 HG SER 21 -9.576 2.670 -7.480 119 H ALA 22 H ALA 22 -8.446 -2.046 -5.200 120 HA ALA 22 HA ALA 22 -10.834 -3.560 -6.027 121 HB1 ALA 22 1HB ALA 22 -8.370 -4.400 -6.416 122 HB2 ALA 22 2HB ALA 22 -8.519 -4.909 -4.733 123 HB3 ALA 22 3HB ALA 22 -9.651 -5.516 -5.942 124 H THR 23 H THR 23 -12.371 -3.245 -4.536 125 HA THR 23 HA THR 23 -12.060 -2.523 -1.887 126 HB THR 23 HB THR 23 -14.307 -4.271 -2.894 127 HG1 THR 23 1HG THR 23 -15.218 -1.968 -3.152 128 HG21 THR 23 1HG2 THR 23 -15.605 -2.883 -1.238 129 HG22 THR 23 2HG2 THR 23 -14.059 -2.265 -0.657 130 HG23 THR 23 3HG2 THR 23 -14.425 -3.986 -0.532 131 H PHE 24 H PHE 24 -11.806 -3.580 0.029 132 HA PHE 24 HA PHE 24 -10.823 -6.312 -0.131 133 HB2 PHE 24 1HB PHE 24 -10.968 -4.843 2.459 134 HB3 PHE 24 2HB PHE 24 -9.712 -5.913 1.844 135 HD1 PHE 24 1HD PHE 24 -8.035 -5.075 0.260 136 HD2 PHE 24 2HD PHE 24 -10.920 -2.500 2.037 137 HE1 PHE 24 1HE PHE 24 -6.687 -3.122 -0.390 138 HE2 PHE 24 2HE PHE 24 -9.577 -0.543 1.390 139 HZ PHE 24 HZ PHE 24 -7.457 -0.852 0.174 140 H SER 25 H SER 25 -12.427 -7.775 -0.194 141 HA SER 25 HA SER 25 -14.593 -7.537 1.788 142 HB2 SER 25 1HB SER 25 -15.003 -7.681 -0.819 143 HB3 SER 25 2HB SER 25 -14.776 -9.407 -0.540 144 HG SER 25 HG SER 25 -16.835 -7.727 0.263 145 H VAL 26 H VAL 26 -13.130 -10.233 -0.025 146 HA VAL 26 HA VAL 26 -12.633 -11.597 2.533 147 HB VAL 26 HB VAL 26 -13.291 -13.750 1.424 148 HG11 VAL 26 1HG1 VAL 26 -15.802 -12.280 1.334 149 HG12 VAL 26 2HG1 VAL 26 -15.278 -13.562 2.427 150 HG13 VAL 26 3HG1 VAL 26 -14.826 -11.888 2.749 151 HG21 VAL 26 1HG2 VAL 26 -13.538 -13.664 -0.795 152 HG22 VAL 26 2HG2 VAL 26 -15.123 -12.961 -0.471 153 HG23 VAL 26 3HG2 VAL 26 -13.742 -11.913 -0.792 154 H LEU 27 H LEU 27 -11.802 -11.124 -0.830 155 HA LEU 27 HA LEU 27 -9.691 -13.008 -0.958 156 HB2 LEU 27 1HB LEU 27 -10.561 -10.670 -2.580 157 HB3 LEU 27 2HB LEU 27 -8.943 -11.317 -2.841 158 HG LEU 27 HG LEU 27 -11.470 -12.947 -3.064 159 HD11 LEU 27 1HD1 LEU 27 -10.803 -10.939 -4.758 160 HD12 LEU 27 2HD1 LEU 27 -11.694 -12.387 -5.224 161 HD13 LEU 27 3HD1 LEU 27 -9.953 -12.300 -5.490 162 HD21 LEU 27 1HD2 LEU 27 -9.681 -14.400 -2.640 163 HD22 LEU 27 2HD2 LEU 27 -8.569 -13.467 -3.643 164 HD23 LEU 27 3HD2 LEU 27 -9.858 -14.410 -4.395 165 H LYS 28 H LYS 28 -9.712 -9.489 -0.427 166 HA LYS 28 HA LYS 28 -7.060 -9.760 0.826 167 HB2 LYS 28 1HB LYS 28 -6.692 -7.358 0.013 168 HB3 LYS 28 2HB LYS 28 -6.583 -8.642 -1.184 169 HG2 LYS 28 1HG LYS 28 -9.197 -7.279 -0.786 170 HG3 LYS 28 2HG LYS 28 -7.919 -6.441 -1.670 171 HD2 LYS 28 1HD LYS 28 -7.823 -8.126 -3.322 172 HD3 LYS 28 2HD LYS 28 -8.770 -9.248 -2.341 173 HE2 LYS 28 1HE LYS 28 -10.751 -7.963 -2.649 174 HE3 LYS 28 2HE LYS 28 -9.850 -6.633 -3.374 175 HZ1 LYS 28 1HZ LYS 28 -9.789 -7.645 -5.361 176 HZ2 LYS 28 2HZ LYS 28 -11.121 -8.510 -4.778 177 HZ3 LYS 28 3HZ LYS 28 -9.574 -9.191 -4.707 178 H LYS 29 H LYS 29 -6.563 -7.862 2.286 179 HA LYS 29 HA LYS 29 -9.005 -6.983 3.681 180 HB2 LYS 29 1HB LYS 29 -7.689 -7.105 5.793 181 HB3 LYS 29 2HB LYS 29 -7.944 -8.669 5.031 182 HG2 LYS 29 1HG LYS 29 -5.598 -8.122 3.945 183 HG3 LYS 29 2HG LYS 29 -5.445 -7.111 5.385 184 HD2 LYS 29 1HD LYS 29 -6.057 -9.116 6.753 185 HD3 LYS 29 2HD LYS 29 -5.967 -10.079 5.276 186 HE2 LYS 29 1HE LYS 29 -3.668 -8.359 6.130 187 HE3 LYS 29 2HE LYS 29 -3.902 -9.960 6.831 188 HZ1 LYS 29 1HZ LYS 29 -3.584 -10.984 4.784 189 HZ2 LYS 29 2HZ LYS 29 -2.416 -9.761 4.789 190 HZ3 LYS 29 3HZ LYS 29 -3.845 -9.563 3.904 191 H ARG 30 H ARG 30 -8.981 -4.921 4.618 192 HA ARG 30 HA ARG 30 -7.645 -2.925 3.195 193 HB2 ARG 30 1HB ARG 30 -9.717 -2.495 4.402 194 HB3 ARG 30 2HB ARG 30 -8.913 -2.798 5.936 195 HG2 ARG 30 1HG ARG 30 -8.839 -0.536 5.940 196 HG3 ARG 30 2HG ARG 30 -7.340 -0.851 5.065 197 HD2 ARG 30 1HD ARG 30 -8.221 -0.204 3.047 198 HD3 ARG 30 2HD ARG 30 -9.872 -0.604 3.519 199 HE ARG 30 HE ARG 30 -8.521 1.902 3.898 200 HH11 ARG 30 2HH1 ARG 30 -11.069 -0.174 5.044 201 HH12 ARG 30 1HH1 ARG 30 -11.985 1.119 5.744 202 HH21 ARG 30 2HH2 ARG 30 -9.718 3.613 4.816 203 HH22 ARG 30 1HH2 ARG 30 -11.216 3.273 5.613 204 H ARG 31 H ARG 31 -5.427 -3.411 3.170 205 HA ARG 31 HA ARG 31 -3.941 -3.531 5.642 206 HB2 ARG 31 1HB ARG 31 -3.320 -3.821 2.748 207 HB3 ARG 31 2HB ARG 31 -2.006 -3.329 3.808 208 HG2 ARG 31 1HG ARG 31 -2.338 -5.313 5.173 209 HG3 ARG 31 2HG ARG 31 -3.692 -5.800 4.152 210 HD2 ARG 31 1HD ARG 31 -2.041 -7.036 3.185 211 HD3 ARG 31 2HD ARG 31 -1.869 -5.552 2.249 212 HE ARG 31 HE ARG 31 0.211 -5.317 3.142 213 HH11 ARG 31 2HH1 ARG 31 -1.669 -7.344 5.257 214 HH12 ARG 31 1HH1 ARG 31 -0.349 -7.673 6.329 215 HH21 ARG 31 2HH2 ARG 31 1.957 -5.741 4.546 216 HH22 ARG 31 1HH2 ARG 31 1.713 -6.760 5.925 217 H SER 32 H SER 32 -1.858 -2.124 5.698 218 HA SER 32 HA SER 32 -2.453 0.628 4.868 219 HB2 SER 32 1HB SER 32 -1.821 -0.326 7.657 220 HB3 SER 32 2HB SER 32 -1.536 1.341 7.160 221 HG SER 32 HG SER 32 -3.916 0.969 6.373 222 H CYS 33 H CYS 33 -0.776 1.583 3.925 223 HA CYS 33 HA CYS 33 1.681 0.244 3.540 224 HB2 CYS 33 1HB CYS 33 0.672 1.914 1.968 225 HB3 CYS 33 2HB CYS 33 1.115 3.182 3.106 226 H SER 34 H SER 34 3.832 1.194 4.050 227 HA SER 34 HA SER 34 3.871 2.052 6.854 228 HB2 SER 34 1HB SER 34 5.158 -0.026 5.825 229 HB3 SER 34 2HB SER 34 6.350 1.208 5.415 230 HG SER 34 HG SER 34 6.047 0.016 7.721 231 H ASN 35 H ASN 35 4.905 2.968 3.643 232 HA ASN 35 HA ASN 35 6.445 5.227 4.610 233 HB2 ASN 35 1HB ASN 35 7.307 4.107 2.664 234 HB3 ASN 35 2HB ASN 35 5.765 4.263 1.827 235 HD21 ASN 35 1HD2 ASN 35 6.279 5.496 0.135 236 HD22 ASN 35 2HD2 ASN 35 6.983 7.070 0.233 237 H CYS 36 H CYS 36 3.974 5.132 2.056 238 HA CYS 36 HA CYS 36 3.166 7.807 2.508 239 HB2 CYS 36 1HB CYS 36 1.507 7.431 0.834 240 HB3 CYS 36 2HB CYS 36 2.934 6.520 0.349 241 H GLY 37 H GLY 37 2.046 4.721 3.714 242 HA2 GLY 37 1HA GLY 37 0.672 4.255 5.507 243 HA3 GLY 37 2HA GLY 37 0.594 5.981 5.830 244 H ASN 38 H ASN 38 -0.329 4.363 2.832 245 HA ASN 38 HA ASN 38 -3.049 5.404 3.211 246 HB2 ASN 38 1HB ASN 38 -1.796 4.427 0.639 247 HB3 ASN 38 2HB ASN 38 -3.292 5.340 0.819 248 HD21 ASN 38 1HD2 ASN 38 -1.139 6.082 -0.828 249 HD22 ASN 38 2HD2 ASN 38 -0.492 7.567 -0.228 250 H SER 39 H SER 39 -4.681 3.985 1.832 251 HA SER 39 HA SER 39 -4.621 1.364 3.079 252 HB2 SER 39 1HB SER 39 -6.951 1.201 2.066 253 HB3 SER 39 2HB SER 39 -6.716 2.480 3.257 254 HG SER 39 HG SER 39 -7.601 2.746 0.810 255 H PHE 40 H PHE 40 -4.487 -0.570 2.039 256 HA PHE 40 HA PHE 40 -4.557 -0.719 -0.848 257 HB2 PHE 40 1HB PHE 40 -2.016 -1.325 0.677 258 HB3 PHE 40 2HB PHE 40 -2.294 -1.736 -1.012 259 HD1 PHE 40 1HD PHE 40 -2.733 0.152 -2.645 260 HD2 PHE 40 2HD PHE 40 -1.214 0.778 1.282 261 HE1 PHE 40 1HE PHE 40 -1.906 2.369 -3.322 262 HE2 PHE 40 2HE PHE 40 -0.385 2.996 0.611 263 HZ PHE 40 HZ PHE 40 -0.732 3.794 -1.692 264 H CYS 41 H CYS 41 -4.186 -3.010 -1.596 265 HA CYS 41 HA CYS 41 -5.678 -4.780 0.138 266 HB2 CYS 41 1HB CYS 41 -5.684 -6.304 -1.793 267 HB3 CYS 41 2HB CYS 41 -6.224 -4.690 -2.244 268 H SER 42 H SER 42 -4.813 -7.248 -0.270 269 HA SER 42 HA SER 42 -2.324 -7.313 1.213 270 HB2 SER 42 1HB SER 42 -2.788 -9.745 1.406 271 HB3 SER 42 2HB SER 42 -4.142 -8.756 1.953 272 HG SER 42 HG SER 42 -4.286 -10.663 0.239 273 H ARG 43 H ARG 43 -2.742 -6.799 -1.846 274 HA ARG 43 HA ARG 43 -0.624 -8.655 -2.716 275 HB2 ARG 43 1HB ARG 43 -3.036 -7.620 -4.173 276 HB3 ARG 43 2HB ARG 43 -1.610 -8.136 -5.062 277 HG2 ARG 43 1HG ARG 43 -1.778 -10.354 -4.072 278 HG3 ARG 43 2HG ARG 43 -3.189 -9.839 -3.146 279 HD2 ARG 43 1HD ARG 43 -3.052 -9.750 -6.152 280 HD3 ARG 43 2HD ARG 43 -3.677 -11.131 -5.252 281 HE ARG 43 HE ARG 43 -4.904 -8.591 -4.616 282 HH11 ARG 43 2HH1 ARG 43 -5.014 -11.469 -6.572 283 HH12 ARG 43 1HH1 ARG 43 -6.704 -11.323 -6.922 284 HH21 ARG 43 2HH2 ARG 43 -7.130 -8.388 -5.070 285 HH22 ARG 43 1HH2 ARG 43 -7.907 -9.570 -6.068 286 H CYS 44 H CYS 44 -1.744 -5.392 -2.501 287 HA CYS 44 HA CYS 44 0.392 -4.381 -4.208 288 HB2 CYS 44 1HB CYS 44 -1.927 -3.075 -2.793 289 HB3 CYS 44 2HB CYS 44 -0.651 -2.133 -3.557 290 H CYS 45 H CYS 45 -0.572 -4.433 -0.820 291 HA CYS 45 HA CYS 45 1.801 -2.922 -0.053 292 HB2 CYS 45 1HB CYS 45 -0.402 -2.441 1.010 293 HB3 CYS 45 2HB CYS 45 -0.385 -4.060 1.699 294 HG CYS 45 HG CYS 45 2.429 -2.608 2.497 295 H SER 46 H SER 46 2.455 -5.317 -1.223 296 HA SER 46 HA SER 46 3.402 -6.902 1.075 297 HB2 SER 46 1HB SER 46 1.655 -7.920 -0.623 298 HB3 SER 46 2HB SER 46 3.088 -8.158 -1.623 299 HG SER 46 HG SER 46 3.224 -9.924 -0.465 300 H PHE 47 H PHE 47 4.877 -4.771 0.246 301 HA PHE 47 HA PHE 47 7.136 -6.059 -1.137 302 HB2 PHE 47 1HB PHE 47 6.084 -3.249 -1.441 303 HB3 PHE 47 2HB PHE 47 7.714 -3.700 -1.930 304 HD1 PHE 47 1HD PHE 47 4.130 -4.282 -2.561 305 HD2 PHE 47 2HD PHE 47 8.112 -4.878 -3.941 306 HE1 PHE 47 1HE PHE 47 3.260 -5.046 -4.732 307 HE2 PHE 47 2HE PHE 47 7.248 -5.642 -6.114 308 HZ PHE 47 HZ PHE 47 4.820 -5.726 -6.513 309 H LYS 48 H LYS 48 8.879 -6.221 0.092 310 HA LYS 48 HA LYS 48 9.045 -4.738 2.580 311 HB2 LYS 48 1HB LYS 48 10.746 -6.928 1.386 312 HB3 LYS 48 2HB LYS 48 11.107 -6.156 2.924 313 HG2 LYS 48 1HG LYS 48 8.897 -6.889 3.762 314 HG3 LYS 48 2HG LYS 48 8.647 -7.753 2.244 315 HD2 LYS 48 1HD LYS 48 9.442 -9.346 3.815 316 HD3 LYS 48 2HD LYS 48 10.787 -8.994 2.728 317 HE2 LYS 48 1HE LYS 48 11.765 -7.507 4.365 318 HE3 LYS 48 2HE LYS 48 10.378 -7.720 5.432 319 HZ1 LYS 48 1HZ LYS 48 11.306 -10.258 4.889 320 HZ2 LYS 48 2HZ LYS 48 11.471 -9.403 6.339 321 HZ3 LYS 48 3HZ LYS 48 12.695 -9.334 5.172 322 H VAL 49 H VAL 49 10.099 -2.884 2.787 323 HA VAL 49 HA VAL 49 12.446 -2.370 1.106 324 HB VAL 49 HB VAL 49 11.744 -0.072 0.678 325 HG11 VAL 49 1HG1 VAL 49 10.974 -0.929 -1.221 326 HG12 VAL 49 2HG1 VAL 49 10.497 -2.419 -0.405 327 HG13 VAL 49 3HG1 VAL 49 9.382 -1.054 -0.472 328 HG21 VAL 49 1HG2 VAL 49 10.368 0.413 2.554 329 HG22 VAL 49 2HG2 VAL 49 9.344 0.538 1.124 330 HG23 VAL 49 3HG2 VAL 49 9.250 -0.891 2.153 331 HA PRO 50 HA PRO 50 14.289 -0.936 4.827 332 HB2 PRO 50 1HB PRO 50 16.076 0.853 3.838 333 HB3 PRO 50 2HB PRO 50 16.275 -0.896 3.673 334 HG2 PRO 50 1HG PRO 50 15.233 1.087 1.687 335 HG3 PRO 50 2HG PRO 50 16.351 -0.267 1.436 336 HD2 PRO 50 1HD PRO 50 13.722 -0.410 0.802 337 HD3 PRO 50 2HD PRO 50 14.649 -1.819 1.354 338 H LYS 51 H LYS 51 13.423 0.379 6.290 339 HA LYS 51 HA LYS 51 12.017 2.769 5.519 340 HB2 LYS 51 1HB LYS 51 11.350 2.921 7.818 341 HB3 LYS 51 2HB LYS 51 11.246 1.233 7.336 342 HG2 LYS 51 1HG LYS 51 13.569 0.975 8.354 343 HG3 LYS 51 2HG LYS 51 13.284 2.551 9.095 344 HD2 LYS 51 1HD LYS 51 11.470 0.160 9.399 345 HD3 LYS 51 2HD LYS 51 12.698 0.643 10.571 346 HE2 LYS 51 1HE LYS 51 10.843 2.772 9.756 347 HE3 LYS 51 2HE LYS 51 10.102 1.436 10.636 348 HZ1 LYS 51 1HZ LYS 51 11.830 1.750 12.361 349 HZ2 LYS 51 2HZ LYS 51 10.800 3.082 12.194 350 HZ3 LYS 51 3HZ LYS 51 12.361 3.134 11.544 351 H SER 52 H SER 52 14.885 2.042 7.491 352 HA SER 52 HA SER 52 15.632 4.466 8.411 353 HB2 SER 52 1HB SER 52 17.991 3.749 8.166 354 HB3 SER 52 2HB SER 52 16.967 2.458 8.795 355 HG SER 52 HG SER 52 18.330 2.630 6.407 356 H SER 53 H SER 53 15.595 3.462 5.085 357 HA SER 53 HA SER 53 16.957 5.918 4.249 358 HB2 SER 53 1HB SER 53 16.997 4.879 2.002 359 HB3 SER 53 2HB SER 53 17.759 3.854 3.218 360 HG SER 53 HG SER 53 15.033 3.532 2.611 361 H MET 54 H MET 54 14.628 6.590 5.317 362 HA MET 54 HA MET 54 12.728 6.874 3.092 363 HB2 MET 54 1HB MET 54 12.432 6.728 6.045 364 HB3 MET 54 2HB MET 54 11.310 7.769 5.179 365 HG2 MET 54 1HG MET 54 10.920 5.720 3.669 366 HG3 MET 54 2HG MET 54 11.669 4.809 4.978 367 HE1 MET 54 1HE MET 54 9.898 3.320 5.632 368 HE2 MET 54 2HE MET 54 8.232 3.733 6.036 369 HE3 MET 54 3HE MET 54 8.775 3.797 4.359 370 H GLY 55 H GLY 55 14.078 8.741 5.818 371 HA2 GLY 55 1HA GLY 55 14.881 10.955 4.377 372 HA3 GLY 55 2HA GLY 55 13.198 11.250 4.788 373 H ALA 56 H ALA 56 13.272 9.908 7.330 374 HA ALA 56 HA ALA 56 14.735 11.952 8.845 375 HB1 ALA 56 1HB ALA 56 12.919 10.315 10.400 376 HB2 ALA 56 2HB ALA 56 12.977 12.067 10.207 377 HB3 ALA 56 3HB ALA 56 12.117 11.078 9.027 378 H THR 57 H THR 57 16.742 11.201 9.245 379 HA THR 57 HA THR 57 17.282 8.444 9.820 380 HB THR 57 HB THR 57 19.596 9.218 10.279 381 HG1 THR 57 1HG THR 57 18.300 11.682 10.217 382 HG21 THR 57 1HG2 THR 57 18.628 8.766 7.943 383 HG22 THR 57 2HG2 THR 57 20.143 9.663 8.042 384 HG23 THR 57 3HG2 THR 57 18.629 10.518 7.749 385 H ALA 58 H ALA 58 17.049 7.475 11.716 386 HA ALA 58 HA ALA 58 17.461 9.025 14.175 387 HB1 ALA 58 1HB ALA 58 14.955 8.479 13.360 388 HB2 ALA 58 2HB ALA 58 15.301 7.023 14.294 389 HB3 ALA 58 3HB ALA 58 15.426 8.609 15.055 390 HA PRO 59 HA PRO 59 19.807 5.590 15.576 391 HB2 PRO 59 1HB PRO 59 19.290 5.620 18.241 392 HB3 PRO 59 2HB PRO 59 20.302 6.831 17.446 393 HG2 PRO 59 1HG PRO 59 17.425 7.002 18.255 394 HG3 PRO 59 2HG PRO 59 18.708 8.213 18.425 395 HD2 PRO 59 1HD PRO 59 16.866 8.311 16.442 396 HD3 PRO 59 2HD PRO 59 18.529 8.894 16.230 397 H GLU 60 H GLU 60 16.492 5.509 15.478 398 HA GLU 60 HA GLU 60 16.252 2.890 16.760 399 HB2 GLU 60 1HB GLU 60 14.523 4.456 17.354 400 HB3 GLU 60 2HB GLU 60 14.187 4.800 15.663 401 HG2 GLU 60 1HG GLU 60 13.140 2.753 15.324 402 HG3 GLU 60 2HG GLU 60 13.864 2.038 16.763 403 H ALA 61 H ALA 61 15.665 4.464 13.634 404 HA ALA 61 HA ALA 61 15.107 1.931 12.347 405 HB1 ALA 61 1HB ALA 61 14.099 3.171 10.800 406 HB2 ALA 61 2HB ALA 61 14.421 4.569 11.826 407 HB3 ALA 61 3HB ALA 61 15.546 4.144 10.537 408 H GLN 62 H GLN 62 16.783 0.617 11.996 409 HA GLN 62 HA GLN 62 19.130 1.721 10.622 410 HB2 GLN 62 1HB GLN 62 19.205 -0.209 12.947 411 HB3 GLN 62 2HB GLN 62 20.593 0.225 11.959 412 HG2 GLN 62 1HG GLN 62 19.059 2.412 13.250 413 HG3 GLN 62 2HG GLN 62 20.094 1.405 14.261 414 HE21 GLN 62 1HE2 GLN 62 19.952 4.021 12.147 415 HE22 GLN 62 2HE2 GLN 62 21.649 4.282 11.955 416 H ARG 63 H ARG 63 18.909 0.838 8.657 417 HA ARG 63 HA ARG 63 18.528 -0.696 7.004 418 HB2 ARG 63 1HB ARG 63 20.051 -2.437 8.952 419 HB3 ARG 63 2HB ARG 63 19.843 -2.762 7.236 420 HG2 ARG 63 1HG ARG 63 21.132 -0.818 6.657 421 HG3 ARG 63 2HG ARG 63 21.234 -0.338 8.353 422 HD2 ARG 63 1HD ARG 63 23.284 -1.358 7.975 423 HD3 ARG 63 2HD ARG 63 22.329 -2.647 8.705 424 HE ARG 63 HE ARG 63 21.998 -2.888 5.973 425 HH11 ARG 63 2HH1 ARG 63 24.630 -3.010 8.249 426 HH12 ARG 63 1HH1 ARG 63 25.570 -4.114 7.301 427 HH21 ARG 63 2HH2 ARG 63 23.226 -4.342 4.716 428 HH22 ARG 63 1HH2 ARG 63 24.771 -4.870 5.292 429 H GLU 64 H GLU 64 16.375 -0.468 8.860 430 HA GLU 64 HA GLU 64 15.433 -3.109 9.502 431 HB2 GLU 64 1HB GLU 64 14.900 -0.845 10.681 432 HB3 GLU 64 2HB GLU 64 13.677 -0.679 9.429 433 HG2 GLU 64 1HG GLU 64 13.043 -1.719 11.708 434 HG3 GLU 64 2HG GLU 64 12.428 -2.439 10.222 435 H THR 65 H THR 65 13.092 -3.645 8.792 436 HA THR 65 HA THR 65 12.784 -3.089 5.917 437 HB THR 65 HB THR 65 11.995 -5.424 5.605 438 HG1 THR 65 1HG THR 65 13.013 -5.797 8.244 439 HG21 THR 65 1HG2 THR 65 14.081 -5.762 4.902 440 HG22 THR 65 2HG2 THR 65 14.549 -6.196 6.546 441 HG23 THR 65 3HG2 THR 65 14.676 -4.522 6.006 442 H VAL 66 H VAL 66 10.800 -2.486 5.303 443 HA VAL 66 HA VAL 66 8.532 -3.059 7.086 444 HB VAL 66 HB VAL 66 7.631 -0.783 6.568 445 HG11 VAL 66 1HG1 VAL 66 8.599 0.126 8.422 446 HG12 VAL 66 2HG1 VAL 66 9.135 -1.545 8.611 447 HG13 VAL 66 3HG1 VAL 66 10.229 -0.338 7.936 448 HG21 VAL 66 1HG2 VAL 66 8.991 0.908 5.639 449 HG22 VAL 66 2HG2 VAL 66 10.437 -0.097 5.728 450 HG23 VAL 66 3HG2 VAL 66 9.165 -0.483 4.569 451 H PHE 67 H PHE 67 6.434 -2.921 6.039 452 HA PHE 67 HA PHE 67 6.606 -3.756 3.237 453 HB2 PHE 67 1HB PHE 67 4.473 -4.099 5.343 454 HB3 PHE 67 2HB PHE 67 4.207 -4.499 3.649 455 HD1 PHE 67 2HD PHE 67 5.869 -6.160 2.582 456 HD2 PHE 67 1HD PHE 67 5.360 -5.676 6.780 457 HE1 PHE 67 2HE PHE 67 6.847 -8.387 2.954 458 HE2 PHE 67 1HE PHE 67 6.339 -7.901 7.159 459 HZ PHE 67 HZ PHE 67 7.083 -9.261 5.245 460 H VAL 68 H VAL 68 6.017 -2.433 1.657 461 HA VAL 68 HA VAL 68 4.175 -0.218 2.284 462 HB VAL 68 HB VAL 68 5.367 1.132 0.572 463 HG11 VAL 68 1HG1 VAL 68 6.614 2.026 2.195 464 HG12 VAL 68 2HG1 VAL 68 6.028 0.705 3.208 465 HG13 VAL 68 3HG1 VAL 68 7.578 0.562 2.378 466 HG21 VAL 68 1HG2 VAL 68 7.187 0.418 -0.580 467 HG22 VAL 68 2HG2 VAL 68 7.742 -0.629 0.725 468 HG23 VAL 68 3HG2 VAL 68 6.424 -1.151 -0.324 469 H CYS 69 H CYS 69 3.446 0.787 0.029 470 HA CYS 69 HA CYS 69 2.164 -1.419 -1.384 471 HB2 CYS 69 1HB CYS 69 0.636 0.221 -2.252 472 HB3 CYS 69 2HB CYS 69 0.833 0.524 -0.529 473 H ALA 70 H ALA 70 2.165 -1.603 -3.660 474 HA ALA 70 HA ALA 70 4.552 -1.511 -4.957 475 HB1 ALA 70 1HB ALA 70 3.434 -2.208 -6.788 476 HB2 ALA 70 2HB ALA 70 2.088 -2.331 -5.655 477 HB3 ALA 70 3HB ALA 70 2.243 -0.910 -6.688 478 H SER 71 H SER 71 2.052 1.019 -5.071 479 HA SER 71 HA SER 71 3.207 2.785 -6.822 480 HB2 SER 71 1HB SER 71 1.420 3.102 -4.456 481 HB3 SER 71 2HB SER 71 2.142 4.559 -5.139 482 HG SER 71 HG SER 71 0.470 4.400 -6.429 483 H CYS 72 H CYS 72 3.904 2.392 -3.376 484 HA CYS 72 HA CYS 72 5.869 4.506 -3.382 485 HB2 CYS 72 1HB CYS 72 4.997 2.492 -1.313 486 HB3 CYS 72 2HB CYS 72 6.326 3.614 -1.036 487 H ASN 73 H ASN 73 6.094 1.037 -2.571 488 HA ASN 73 HA ASN 73 8.743 0.643 -2.459 489 HB2 ASN 73 1HB ASN 73 7.176 -1.196 -2.219 490 HB3 ASN 73 2HB ASN 73 6.766 -1.113 -3.930 491 HD21 ASN 73 1HD2 ASN 73 8.249 -1.849 -5.460 492 HD22 ASN 73 2HD2 ASN 73 9.561 -2.888 -5.029 493 H GLN 74 H GLN 74 6.902 1.104 -5.432 494 HA GLN 74 HA GLN 74 9.051 0.595 -7.209 495 HB2 GLN 74 1HB GLN 74 6.395 1.971 -7.481 496 HB3 GLN 74 2HB GLN 74 7.553 1.988 -8.804 497 HG2 GLN 74 1HG GLN 74 6.804 -0.605 -7.541 498 HG3 GLN 74 2HG GLN 74 5.706 0.161 -8.688 499 HE21 GLN 74 1HE2 GLN 74 8.928 -1.151 -8.259 500 HE22 GLN 74 2HE2 GLN 74 9.226 -1.472 -9.930 501 H THR 75 H THR 75 7.726 3.560 -5.798 502 HA THR 75 HA THR 75 9.460 5.328 -7.188 503 HB THR 75 HB THR 75 7.943 5.744 -4.605 504 HG1 THR 75 1HG THR 75 6.585 6.975 -6.156 505 HG21 THR 75 1HG2 THR 75 8.797 7.803 -4.460 506 HG22 THR 75 2HG2 THR 75 8.496 8.115 -6.170 507 HG23 THR 75 3HG2 THR 75 9.984 7.313 -5.668 508 H LEU 76 H LEU 76 9.616 3.725 -4.048 509 HA LEU 76 HA LEU 76 11.870 5.082 -3.049 510 HB2 LEU 76 1HB LEU 76 10.901 2.284 -2.484 511 HB3 LEU 76 2HB LEU 76 12.107 3.150 -1.535 512 HG LEU 76 HG LEU 76 9.243 4.038 -1.863 513 HD11 LEU 76 1HD1 LEU 76 9.077 3.290 0.542 514 HD12 LEU 76 2HD1 LEU 76 10.582 2.410 0.281 515 HD13 LEU 76 3HD1 LEU 76 9.150 2.005 -0.665 516 HD21 LEU 76 1HD2 LEU 76 11.287 4.904 0.169 517 HD22 LEU 76 2HD2 LEU 76 9.708 5.619 -0.161 518 HD23 LEU 76 3HD2 LEU 76 11.007 5.763 -1.346 519 H SER 77 H SER 77 11.659 1.854 -4.556 520 HA SER 77 HA SER 77 14.535 2.024 -5.142 521 HB2 SER 77 1HB SER 77 12.702 -0.385 -5.074 522 HB3 SER 77 2HB SER 77 14.424 -0.431 -5.450 523 HG SER 77 HG SER 77 13.533 0.735 -3.051 524 H LYS 78 H LYS 78 12.990 3.562 -6.765 525 HA LYS 78 HA LYS 78 12.063 2.248 -9.099 526 HB2 LYS 78 1HB LYS 78 12.104 4.517 -10.111 527 HB3 LYS 78 2HB LYS 78 11.266 4.463 -8.566 528 HG2 LYS 78 1HG LYS 78 13.138 5.456 -7.446 529 HG3 LYS 78 2HG LYS 78 14.118 5.360 -8.911 530 HD2 LYS 78 1HD LYS 78 12.117 6.770 -9.912 531 HD3 LYS 78 2HD LYS 78 11.900 7.221 -8.219 532 HE2 LYS 78 1HE LYS 78 14.633 7.348 -9.392 533 HE3 LYS 78 2HE LYS 78 13.473 8.603 -9.824 534 HZ1 LYS 78 1HZ LYS 78 13.906 9.591 -7.909 535 HZ2 LYS 78 2HZ LYS 78 14.981 8.361 -7.472 536 HZ3 LYS 78 3HZ LYS 78 13.345 8.238 -7.062 537 H SER 79 H SER 79 15.115 3.857 -8.284 538 HA SER 79 HA SER 79 16.508 2.239 -10.233 539 HB2 SER 79 1HB SER 79 16.279 5.235 -10.534 540 HB3 SER 79 2HB SER 79 17.573 4.300 -11.282 541 HG SER 79 HG SER 79 14.783 4.042 -11.722 542 H GLY 80 H GLY 80 18.737 2.131 -9.875 543 HA2 GLY 80 1HA GLY 80 19.606 2.422 -7.240 544 HA3 GLY 80 2HA GLY 80 20.661 2.190 -8.626 545 HA PRO 81 HA PRO 81 20.704 6.654 -6.806 546 HB2 PRO 81 1HB PRO 81 22.578 6.424 -4.855 547 HB3 PRO 81 2HB PRO 81 20.847 6.234 -4.551 548 HG2 PRO 81 1HG PRO 81 22.944 4.134 -4.943 549 HG3 PRO 81 2HG PRO 81 21.625 4.191 -3.759 550 HD2 PRO 81 1HD PRO 81 21.489 2.709 -6.022 551 HD3 PRO 81 2HD PRO 81 20.059 3.456 -5.282 552 H SER 82 H SER 82 23.215 4.241 -7.318 553 HA SER 82 HA SER 82 25.262 4.324 -8.313 554 HB2 SER 82 1HB SER 82 23.857 6.539 -9.819 555 HB3 SER 82 2HB SER 82 25.434 5.894 -10.275 556 HG SER 82 HG SER 82 23.038 4.385 -10.056 557 H SER 83 H SER 83 25.237 5.558 -5.866 558 HA SER 83 HA SER 83 26.046 8.155 -5.600 559 HB2 SER 83 1HB SER 83 26.743 5.656 -4.107 560 HB3 SER 83 2HB SER 83 27.577 7.156 -3.703 561 HG SER 83 HG SER 83 25.733 6.957 -2.432 562 H GLY 84 H GLY 84 28.083 5.369 -6.433 563 HA2 GLY 84 1HA GLY 84 29.988 7.210 -7.673 564 HA3 GLY 84 2HA GLY 84 30.595 6.154 -6.406 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -11.518 34.777 -29.471 2 HA2 GLY 1 1HA GLY 1 -10.672 34.282 -27.292 3 HA3 GLY 1 2HA GLY 1 -11.358 35.895 -27.164 4 H SER 2 H SER 2 -11.728 32.541 -26.346 5 HA SER 2 HA SER 2 -14.112 33.183 -24.746 6 HB2 SER 2 1HB SER 2 -14.425 30.693 -24.646 7 HB3 SER 2 2HB SER 2 -14.525 31.364 -26.274 8 HG SER 2 HG SER 2 -12.426 29.892 -25.092 9 H SER 3 H SER 3 -14.208 32.635 -22.568 10 HA SER 3 HA SER 3 -11.708 31.721 -21.323 11 HB2 SER 3 1HB SER 3 -13.338 34.141 -20.532 12 HB3 SER 3 2HB SER 3 -12.119 33.409 -19.489 13 HG SER 3 HG SER 3 -11.789 34.744 -21.947 14 H GLY 4 H GLY 4 -12.403 29.743 -20.684 15 HA2 GLY 4 1HA GLY 4 -14.268 29.648 -18.483 16 HA3 GLY 4 2HA GLY 4 -14.854 28.855 -19.938 17 H SER 5 H SER 5 -14.005 27.878 -17.200 18 HA SER 5 HA SER 5 -12.276 25.719 -18.189 19 HB2 SER 5 1HB SER 5 -10.793 27.152 -16.941 20 HB3 SER 5 2HB SER 5 -11.933 27.244 -15.599 21 HG SER 5 HG SER 5 -10.591 24.907 -16.495 22 H SER 6 H SER 6 -12.428 23.735 -16.950 23 HA SER 6 HA SER 6 -14.777 23.511 -15.217 24 HB2 SER 6 1HB SER 6 -15.514 22.959 -17.523 25 HB3 SER 6 2HB SER 6 -14.290 21.691 -17.588 26 HG SER 6 HG SER 6 -16.648 21.282 -16.842 27 H GLY 7 H GLY 7 -14.723 21.771 -13.768 28 HA2 GLY 7 1HA GLY 7 -13.218 19.565 -13.598 29 HA3 GLY 7 2HA GLY 7 -12.038 20.808 -13.210 30 H ARG 8 H ARG 8 -14.455 18.789 -12.001 31 HA ARG 8 HA ARG 8 -14.268 20.115 -9.387 32 HB2 ARG 8 1HB ARG 8 -16.774 19.145 -10.755 33 HB3 ARG 8 2HB ARG 8 -16.687 19.404 -9.018 34 HG2 ARG 8 1HG ARG 8 -16.056 21.541 -11.035 35 HG3 ARG 8 2HG ARG 8 -17.664 21.288 -10.352 36 HD2 ARG 8 1HD ARG 8 -15.367 21.543 -8.483 37 HD3 ARG 8 2HD ARG 8 -15.945 22.999 -9.291 38 HE ARG 8 HE ARG 8 -17.306 21.484 -7.243 39 HH11 ARG 8 2HH1 ARG 8 -17.600 23.834 -9.794 40 HH12 ARG 8 1HH1 ARG 8 -19.062 24.522 -9.170 41 HH21 ARG 8 2HH2 ARG 8 -19.231 22.381 -6.411 42 HH22 ARG 8 1HH2 ARG 8 -19.989 23.695 -7.245 43 H TYR 9 H TYR 9 -14.332 18.744 -7.595 44 HA TYR 9 HA TYR 9 -13.912 15.903 -8.235 45 HB2 TYR 9 1HB TYR 9 -13.021 17.358 -5.743 46 HB3 TYR 9 2HB TYR 9 -12.539 15.749 -6.270 47 HD1 TYR 9 2HD TYR 9 -12.081 19.347 -6.785 48 HD2 TYR 9 1HD TYR 9 -10.889 15.455 -8.024 49 HE1 TYR 9 2HE TYR 9 -10.147 20.318 -7.955 50 HE2 TYR 9 1HE TYR 9 -8.952 16.415 -9.196 51 HH TYR 9 HH TYR 9 -8.618 19.766 -9.756 52 HA PRO 10 HA PRO 10 -17.902 15.581 -6.135 53 HB2 PRO 10 1HB PRO 10 -18.399 13.062 -7.015 54 HB3 PRO 10 2HB PRO 10 -18.686 14.499 -8.004 55 HG2 PRO 10 1HG PRO 10 -16.367 12.606 -8.041 56 HG3 PRO 10 2HG PRO 10 -17.246 13.325 -9.403 57 HD2 PRO 10 1HD PRO 10 -14.858 14.273 -8.547 58 HD3 PRO 10 2HD PRO 10 -16.107 15.323 -9.246 59 H THR 11 H THR 11 -14.950 14.408 -5.428 60 HA THR 11 HA THR 11 -14.897 12.137 -4.080 61 HB THR 11 HB THR 11 -13.108 13.865 -3.958 62 HG1 THR 11 1HG THR 11 -12.930 13.391 -1.438 63 HG21 THR 11 1HG2 THR 11 -13.214 15.725 -2.625 64 HG22 THR 11 2HG2 THR 11 -14.361 14.991 -1.503 65 HG23 THR 11 3HG2 THR 11 -14.914 15.584 -3.069 66 H ASN 12 H ASN 12 -16.104 11.074 -2.658 67 HA ASN 12 HA ASN 12 -17.695 12.604 -0.717 68 HB2 ASN 12 1HB ASN 12 -19.220 11.927 -2.486 69 HB3 ASN 12 2HB ASN 12 -18.660 10.261 -2.370 70 HD21 ASN 12 1HD2 ASN 12 -18.892 9.291 -0.143 71 HD22 ASN 12 2HD2 ASN 12 -20.369 9.621 0.692 72 H ASN 13 H ASN 13 -16.370 9.438 -1.606 73 HA ASN 13 HA ASN 13 -15.245 8.978 0.932 74 HB2 ASN 13 1HB ASN 13 -17.813 8.659 1.288 75 HB3 ASN 13 2HB ASN 13 -17.558 7.123 0.465 76 HD21 ASN 13 1HD2 ASN 13 -17.830 5.730 2.100 77 HD22 ASN 13 2HD2 ASN 13 -16.868 5.698 3.535 78 H PHE 14 H PHE 14 -13.737 7.402 0.804 79 HA PHE 14 HA PHE 14 -13.770 5.714 -1.611 80 HB2 PHE 14 1HB PHE 14 -11.521 7.112 -0.196 81 HB3 PHE 14 2HB PHE 14 -11.203 5.680 -1.170 82 HD1 PHE 14 1HD PHE 14 -12.787 9.038 -1.338 83 HD2 PHE 14 2HD PHE 14 -10.872 5.880 -3.453 84 HE1 PHE 14 1HE PHE 14 -12.723 10.436 -3.362 85 HE2 PHE 14 2HE PHE 14 -10.805 7.272 -5.480 86 HZ PHE 14 HZ PHE 14 -11.730 9.554 -5.436 87 H GLY 15 H GLY 15 -13.627 3.561 -1.368 88 HA2 GLY 15 1HA GLY 15 -12.735 2.489 1.219 89 HA3 GLY 15 2HA GLY 15 -14.316 2.027 0.607 90 H ASN 16 H ASN 16 -11.394 2.499 -1.311 91 HA ASN 16 HA ASN 16 -11.174 -0.397 -1.693 92 HB2 ASN 16 1HB ASN 16 -10.975 1.383 -4.094 93 HB3 ASN 16 2HB ASN 16 -11.359 -0.334 -4.008 94 HD21 ASN 16 1HD2 ASN 16 -13.381 -0.432 -2.229 95 HD22 ASN 16 2HD2 ASN 16 -14.749 0.443 -2.819 96 H CYS 17 H CYS 17 -9.141 -1.003 -2.821 97 HA CYS 17 HA CYS 17 -6.905 0.036 -1.562 98 HB2 CYS 17 1HB CYS 17 -6.969 -2.179 -2.637 99 HB3 CYS 17 2HB CYS 17 -7.008 -1.407 -4.219 100 H THR 18 H THR 18 -5.157 1.318 -2.289 101 HA THR 18 HA THR 18 -5.984 3.422 -4.146 102 HB THR 18 HB THR 18 -3.559 3.398 -2.343 103 HG1 THR 18 1HG THR 18 -6.122 3.567 -1.663 104 HG21 THR 18 1HG2 THR 18 -3.052 5.207 -3.569 105 HG22 THR 18 2HG2 THR 18 -4.382 5.998 -2.724 106 HG23 THR 18 3HG2 THR 18 -4.655 5.262 -4.303 107 H GLY 19 H GLY 19 -4.885 0.658 -4.842 108 HA2 GLY 19 1HA GLY 19 -2.790 1.647 -6.670 109 HA3 GLY 19 2HA GLY 19 -2.598 0.125 -5.812 110 H CYS 20 H CYS 20 -4.907 -1.158 -6.060 111 HA CYS 20 HA CYS 20 -5.229 -1.426 -8.974 112 HB2 CYS 20 1HB CYS 20 -5.883 -3.758 -8.529 113 HB3 CYS 20 2HB CYS 20 -4.274 -3.406 -7.906 114 H SER 21 H SER 21 -6.738 -0.059 -6.460 115 HA SER 21 HA SER 21 -8.887 0.477 -5.910 116 HB2 SER 21 1HB SER 21 -9.003 0.246 -8.914 117 HB3 SER 21 2HB SER 21 -10.402 0.755 -7.969 118 HG SER 21 HG SER 21 -8.531 2.232 -7.047 119 H ALA 22 H ALA 22 -8.419 -2.112 -5.299 120 HA ALA 22 HA ALA 22 -10.787 -3.575 -6.257 121 HB1 ALA 22 1HB ALA 22 -8.157 -4.516 -5.159 122 HB2 ALA 22 2HB ALA 22 -9.568 -5.572 -5.230 123 HB3 ALA 22 3HB ALA 22 -8.903 -4.888 -6.713 124 H THR 23 H THR 23 -12.427 -3.071 -4.919 125 HA THR 23 HA THR 23 -12.462 -2.221 -2.356 126 HB THR 23 HB THR 23 -14.419 -4.328 -3.262 127 HG1 THR 23 1HG THR 23 -14.889 -3.029 -4.857 128 HG21 THR 23 1HG2 THR 23 -15.005 -1.813 -1.732 129 HG22 THR 23 2HG2 THR 23 -14.426 -3.262 -0.910 130 HG23 THR 23 3HG2 THR 23 -15.940 -3.305 -1.815 131 H PHE 24 H PHE 24 -12.582 -3.136 -0.287 132 HA PHE 24 HA PHE 24 -11.126 -5.648 -0.031 133 HB2 PHE 24 1HB PHE 24 -11.939 -3.662 2.101 134 HB3 PHE 24 2HB PHE 24 -10.852 -5.030 2.318 135 HD1 PHE 24 2HD PHE 24 -11.250 -1.787 0.587 136 HD2 PHE 24 1HD PHE 24 -8.567 -4.855 1.813 137 HE1 PHE 24 2HE PHE 24 -9.343 -0.361 -0.031 138 HE2 PHE 24 1HE PHE 24 -6.655 -3.434 1.198 139 HZ PHE 24 HZ PHE 24 -7.042 -1.184 0.273 140 H SER 25 H SER 25 -12.455 -7.357 -0.244 141 HA SER 25 HA SER 25 -15.080 -7.332 1.019 142 HB2 SER 25 1HB SER 25 -15.351 -9.546 -0.122 143 HB3 SER 25 2HB SER 25 -15.006 -8.216 -1.228 144 HG SER 25 HG SER 25 -13.718 -10.442 -1.108 145 H VAL 26 H VAL 26 -15.767 -9.284 2.251 146 HA VAL 26 HA VAL 26 -14.438 -9.634 4.588 147 HB VAL 26 HB VAL 26 -16.632 -10.502 4.442 148 HG11 VAL 26 1HG1 VAL 26 -15.781 -12.647 2.526 149 HG12 VAL 26 2HG1 VAL 26 -17.410 -12.092 2.918 150 HG13 VAL 26 3HG1 VAL 26 -16.337 -11.073 1.957 151 HG21 VAL 26 1HG2 VAL 26 -16.432 -12.595 5.498 152 HG22 VAL 26 2HG2 VAL 26 -14.955 -12.991 4.620 153 HG23 VAL 26 3HG2 VAL 26 -14.931 -11.748 5.871 154 H LEU 27 H LEU 27 -13.646 -11.059 1.537 155 HA LEU 27 HA LEU 27 -11.815 -12.984 2.733 156 HB2 LEU 27 1HB LEU 27 -12.392 -12.391 -0.166 157 HB3 LEU 27 2HB LEU 27 -11.423 -13.731 0.445 158 HG LEU 27 HG LEU 27 -13.795 -14.153 1.717 159 HD11 LEU 27 1HD1 LEU 27 -14.967 -12.404 0.570 160 HD12 LEU 27 2HD1 LEU 27 -15.530 -13.956 -0.048 161 HD13 LEU 27 3HD1 LEU 27 -14.401 -12.989 -0.995 162 HD21 LEU 27 1HD2 LEU 27 -12.587 -15.184 -0.811 163 HD22 LEU 27 2HD2 LEU 27 -14.175 -15.757 -0.303 164 HD23 LEU 27 3HD2 LEU 27 -12.778 -15.981 0.750 165 H LYS 28 H LYS 28 -11.385 -10.078 2.985 166 HA LYS 28 HA LYS 28 -8.593 -10.064 2.329 167 HB2 LYS 28 1HB LYS 28 -9.787 -9.339 0.196 168 HB3 LYS 28 2HB LYS 28 -10.265 -7.891 1.073 169 HG2 LYS 28 1HG LYS 28 -7.774 -7.559 1.528 170 HG3 LYS 28 2HG LYS 28 -7.514 -8.770 0.270 171 HD2 LYS 28 1HD LYS 28 -9.248 -6.364 -0.200 172 HD3 LYS 28 2HD LYS 28 -7.498 -6.295 -0.414 173 HE2 LYS 28 1HE LYS 28 -7.623 -8.119 -2.035 174 HE3 LYS 28 2HE LYS 28 -9.368 -8.209 -1.808 175 HZ1 LYS 28 1HZ LYS 28 -7.992 -6.625 -3.607 176 HZ2 LYS 28 2HZ LYS 28 -8.599 -5.562 -2.439 177 HZ3 LYS 28 3HZ LYS 28 -9.650 -6.591 -3.274 178 H LYS 29 H LYS 29 -7.438 -8.432 3.410 179 HA LYS 29 HA LYS 29 -9.024 -6.908 5.372 180 HB2 LYS 29 1HB LYS 29 -6.980 -7.089 6.847 181 HB3 LYS 29 2HB LYS 29 -7.859 -8.588 6.583 182 HG2 LYS 29 1HG LYS 29 -5.595 -7.965 4.768 183 HG3 LYS 29 2HG LYS 29 -5.230 -8.465 6.422 184 HD2 LYS 29 1HD LYS 29 -7.140 -10.023 4.711 185 HD3 LYS 29 2HD LYS 29 -5.397 -10.280 4.602 186 HE2 LYS 29 1HE LYS 29 -5.366 -10.703 7.050 187 HE3 LYS 29 2HE LYS 29 -7.125 -10.581 7.056 188 HZ1 LYS 29 1HZ LYS 29 -6.318 -12.393 5.058 189 HZ2 LYS 29 2HZ LYS 29 -7.263 -12.685 6.429 190 HZ3 LYS 29 3HZ LYS 29 -5.580 -12.826 6.517 191 H ARG 30 H ARG 30 -8.751 -4.767 5.396 192 HA ARG 30 HA ARG 30 -7.149 -3.484 3.442 193 HB2 ARG 30 1HB ARG 30 -9.335 -2.719 4.740 194 HB3 ARG 30 2HB ARG 30 -8.153 -1.977 5.810 195 HG2 ARG 30 1HG ARG 30 -7.510 -0.439 4.267 196 HG3 ARG 30 2HG ARG 30 -7.852 -1.504 2.901 197 HD2 ARG 30 1HD ARG 30 -9.582 -0.043 2.662 198 HD3 ARG 30 2HD ARG 30 -10.337 -1.193 3.765 199 HE ARG 30 HE ARG 30 -8.975 0.989 5.066 200 HH11 ARG 30 2HH1 ARG 30 -11.968 -0.136 3.687 201 HH12 ARG 30 1HH1 ARG 30 -12.951 0.963 4.596 202 HH21 ARG 30 2HH2 ARG 30 -10.259 2.441 6.268 203 HH22 ARG 30 1HH2 ARG 30 -11.978 2.429 6.063 204 H ARG 31 H ARG 31 -5.007 -3.371 3.528 205 HA ARG 31 HA ARG 31 -3.628 -3.376 6.087 206 HB2 ARG 31 1HB ARG 31 -2.861 -3.816 3.247 207 HB3 ARG 31 2HB ARG 31 -1.618 -3.204 4.331 208 HG2 ARG 31 1HG ARG 31 -1.735 -5.112 5.707 209 HG3 ARG 31 2HG ARG 31 -3.243 -5.648 4.964 210 HD2 ARG 31 1HD ARG 31 -2.090 -6.086 2.876 211 HD3 ARG 31 2HD ARG 31 -0.585 -5.464 3.552 212 HE ARG 31 HE ARG 31 -1.779 -8.052 4.038 213 HH11 ARG 31 2HH1 ARG 31 0.524 -5.664 5.093 214 HH12 ARG 31 1HH1 ARG 31 1.481 -6.794 5.992 215 HH21 ARG 31 2HH2 ARG 31 -0.528 -9.550 5.219 216 HH22 ARG 31 1HH2 ARG 31 0.882 -9.004 6.062 217 H SER 32 H SER 32 -1.561 -1.891 6.068 218 HA SER 32 HA SER 32 -2.286 0.792 5.117 219 HB2 SER 32 1HB SER 32 -1.334 0.126 7.914 220 HB3 SER 32 2HB SER 32 -1.584 1.753 7.281 221 HG SER 32 HG SER 32 -3.782 1.270 7.051 222 H CYS 33 H CYS 33 -0.699 1.587 3.925 223 HA CYS 33 HA CYS 33 1.799 0.404 3.586 224 HB2 CYS 33 1HB CYS 33 0.692 1.993 1.997 225 HB3 CYS 33 2HB CYS 33 1.126 3.309 3.083 226 H SER 34 H SER 34 3.934 1.457 3.988 227 HA SER 34 HA SER 34 4.029 2.412 6.763 228 HB2 SER 34 1HB SER 34 5.287 0.313 6.056 229 HB3 SER 34 2HB SER 34 6.354 1.375 5.137 230 HG SER 34 HG SER 34 7.152 0.940 7.245 231 H ASN 35 H ASN 35 4.889 3.237 3.489 232 HA ASN 35 HA ASN 35 6.448 5.546 4.306 233 HB2 ASN 35 1HB ASN 35 7.261 4.400 2.369 234 HB3 ASN 35 2HB ASN 35 5.675 4.442 1.603 235 HD21 ASN 35 1HD2 ASN 35 6.170 5.561 -0.196 236 HD22 ASN 35 2HD2 ASN 35 6.754 7.187 -0.202 237 H CYS 36 H CYS 36 3.873 5.327 1.867 238 HA CYS 36 HA CYS 36 3.041 8.002 2.262 239 HB2 CYS 36 1HB CYS 36 1.314 7.541 0.678 240 HB3 CYS 36 2HB CYS 36 2.734 6.638 0.161 241 H GLY 37 H GLY 37 1.969 4.928 3.570 242 HA2 GLY 37 1HA GLY 37 0.727 4.531 5.482 243 HA3 GLY 37 2HA GLY 37 0.578 6.268 5.702 244 H ASN 38 H ASN 38 -0.366 4.427 2.843 245 HA ASN 38 HA ASN 38 -3.130 5.326 3.290 246 HB2 ASN 38 1HB ASN 38 -1.923 4.390 0.683 247 HB3 ASN 38 2HB ASN 38 -3.456 5.226 0.915 248 HD21 ASN 38 1HD2 ASN 38 -1.316 6.008 -0.799 249 HD22 ASN 38 2HD2 ASN 38 -0.762 7.552 -0.256 250 H SER 39 H SER 39 -4.762 3.806 2.129 251 HA SER 39 HA SER 39 -4.408 1.185 3.322 252 HB2 SER 39 1HB SER 39 -6.803 2.277 1.828 253 HB3 SER 39 2HB SER 39 -6.766 0.855 2.870 254 HG SER 39 HG SER 39 -6.767 3.561 3.540 255 H PHE 40 H PHE 40 -4.126 -0.696 2.257 256 HA PHE 40 HA PHE 40 -4.448 -0.792 -0.638 257 HB2 PHE 40 1HB PHE 40 -1.834 -1.346 0.774 258 HB3 PHE 40 2HB PHE 40 -2.174 -1.842 -0.881 259 HD1 PHE 40 1HD PHE 40 -2.598 -0.099 -2.616 260 HD2 PHE 40 2HD PHE 40 -1.182 0.856 1.283 261 HE1 PHE 40 1HE PHE 40 -1.851 2.099 -3.429 262 HE2 PHE 40 2HE PHE 40 -0.434 3.057 0.476 263 HZ PHE 40 HZ PHE 40 -0.769 3.681 -1.883 264 H CYS 41 H CYS 41 -4.240 -3.020 -1.485 265 HA CYS 41 HA CYS 41 -5.623 -4.852 0.238 266 HB2 CYS 41 1HB CYS 41 -5.592 -6.354 -1.729 267 HB3 CYS 41 2HB CYS 41 -6.200 -4.750 -2.122 268 H SER 42 H SER 42 -4.745 -7.310 -0.228 269 HA SER 42 HA SER 42 -2.274 -7.403 1.275 270 HB2 SER 42 1HB SER 42 -4.148 -9.581 0.326 271 HB3 SER 42 2HB SER 42 -2.706 -9.872 1.300 272 HG SER 42 HG SER 42 -3.622 -8.840 2.990 273 H ARG 43 H ARG 43 -2.912 -7.059 -1.896 274 HA ARG 43 HA ARG 43 -0.665 -8.752 -2.759 275 HB2 ARG 43 1HB ARG 43 -2.977 -7.583 -4.308 276 HB3 ARG 43 2HB ARG 43 -1.594 -8.354 -5.072 277 HG2 ARG 43 1HG ARG 43 -2.111 -10.444 -3.949 278 HG3 ARG 43 2HG ARG 43 -3.467 -9.677 -3.120 279 HD2 ARG 43 1HD ARG 43 -4.501 -10.740 -4.898 280 HD3 ARG 43 2HD ARG 43 -4.283 -9.100 -5.507 281 HE ARG 43 HE ARG 43 -2.943 -11.499 -6.426 282 HH11 ARG 43 2HH1 ARG 43 -3.030 -8.018 -6.410 283 HH12 ARG 43 1HH1 ARG 43 -2.089 -7.858 -7.856 284 HH21 ARG 43 2HH2 ARG 43 -1.703 -11.301 -8.331 285 HH22 ARG 43 1HH2 ARG 43 -1.335 -9.726 -8.948 286 H CYS 44 H CYS 44 -1.733 -5.522 -2.329 287 HA CYS 44 HA CYS 44 0.389 -4.443 -4.032 288 HB2 CYS 44 1HB CYS 44 -1.964 -3.189 -2.624 289 HB3 CYS 44 2HB CYS 44 -0.681 -2.221 -3.344 290 H CYS 45 H CYS 45 -0.587 -4.701 -0.672 291 HA CYS 45 HA CYS 45 1.723 -3.140 0.194 292 HB2 CYS 45 1HB CYS 45 -0.482 -2.751 1.264 293 HB3 CYS 45 2HB CYS 45 -0.470 -4.412 1.845 294 HG CYS 45 HG CYS 45 1.736 -4.065 3.514 295 H SER 46 H SER 46 2.339 -5.544 -1.095 296 HA SER 46 HA SER 46 3.357 -7.173 1.141 297 HB2 SER 46 1HB SER 46 2.151 -7.946 -1.466 298 HB3 SER 46 2HB SER 46 3.493 -8.928 -0.879 299 HG SER 46 HG SER 46 0.955 -8.985 -0.105 300 H PHE 47 H PHE 47 4.590 -4.832 -0.087 301 HA PHE 47 HA PHE 47 6.944 -6.076 -1.344 302 HB2 PHE 47 1HB PHE 47 5.847 -3.270 -1.555 303 HB3 PHE 47 2HB PHE 47 7.434 -3.734 -2.160 304 HD1 PHE 47 2HD PHE 47 7.582 -5.472 -3.964 305 HD2 PHE 47 1HD PHE 47 3.902 -3.680 -2.796 306 HE1 PHE 47 2HE PHE 47 6.561 -6.196 -6.082 307 HE2 PHE 47 1HE PHE 47 2.875 -4.402 -4.912 308 HZ PHE 47 HZ PHE 47 4.205 -5.661 -6.559 309 H LYS 48 H LYS 48 8.541 -6.378 0.053 310 HA LYS 48 HA LYS 48 8.757 -4.844 2.478 311 HB2 LYS 48 1HB LYS 48 10.333 -7.096 1.263 312 HB3 LYS 48 2HB LYS 48 10.930 -6.240 2.678 313 HG2 LYS 48 1HG LYS 48 8.663 -6.776 3.732 314 HG3 LYS 48 2HG LYS 48 8.472 -7.932 2.412 315 HD2 LYS 48 1HD LYS 48 10.117 -9.310 3.199 316 HD3 LYS 48 2HD LYS 48 11.013 -7.989 3.952 317 HE2 LYS 48 1HE LYS 48 9.695 -8.003 5.849 318 HE3 LYS 48 2HE LYS 48 8.332 -8.756 5.022 319 HZ1 LYS 48 1HZ LYS 48 9.038 -10.612 6.008 320 HZ2 LYS 48 2HZ LYS 48 10.566 -9.978 6.362 321 HZ3 LYS 48 3HZ LYS 48 10.257 -10.639 4.836 322 H VAL 49 H VAL 49 10.062 -3.163 2.899 323 HA VAL 49 HA VAL 49 12.305 -2.563 1.143 324 HB VAL 49 HB VAL 49 11.636 -0.288 0.694 325 HG11 VAL 49 1HG1 VAL 49 10.921 -2.014 -0.889 326 HG12 VAL 49 2HG1 VAL 49 9.405 -2.195 -0.006 327 HG13 VAL 49 3HG1 VAL 49 9.772 -0.678 -0.826 328 HG21 VAL 49 1HG2 VAL 49 10.351 0.044 2.788 329 HG22 VAL 49 2HG2 VAL 49 9.503 0.622 1.354 330 HG23 VAL 49 3HG2 VAL 49 9.038 -0.909 2.096 331 HA PRO 50 HA PRO 50 14.148 -1.263 4.917 332 HB2 PRO 50 1HB PRO 50 16.038 0.434 3.957 333 HB3 PRO 50 2HB PRO 50 16.153 -1.323 3.796 334 HG2 PRO 50 1HG PRO 50 15.244 0.708 1.793 335 HG3 PRO 50 2HG PRO 50 16.297 -0.700 1.560 336 HD2 PRO 50 1HD PRO 50 13.675 -0.713 0.883 337 HD3 PRO 50 2HD PRO 50 14.522 -2.167 1.451 338 H LYS 51 H LYS 51 13.240 0.070 6.341 339 HA LYS 51 HA LYS 51 11.951 2.502 5.576 340 HB2 LYS 51 1HB LYS 51 11.539 2.770 8.003 341 HB3 LYS 51 2HB LYS 51 11.056 1.189 7.403 342 HG2 LYS 51 1HG LYS 51 12.756 0.100 8.507 343 HG3 LYS 51 2HG LYS 51 13.768 1.543 8.593 344 HD2 LYS 51 1HD LYS 51 13.055 1.406 10.768 345 HD3 LYS 51 2HD LYS 51 11.796 2.438 10.087 346 HE2 LYS 51 1HE LYS 51 10.221 0.757 10.109 347 HE3 LYS 51 2HE LYS 51 11.432 -0.523 10.055 348 HZ1 LYS 51 1HZ LYS 51 10.134 0.025 12.246 349 HZ2 LYS 51 2HZ LYS 51 11.340 1.197 12.423 350 HZ3 LYS 51 3HZ LYS 51 11.761 -0.436 12.293 351 H SER 52 H SER 52 15.116 1.853 5.800 352 HA SER 52 HA SER 52 15.836 4.427 7.021 353 HB2 SER 52 1HB SER 52 16.996 2.489 7.956 354 HB3 SER 52 2HB SER 52 17.564 2.031 6.351 355 HG SER 52 HG SER 52 18.773 3.940 6.288 356 H SER 53 H SER 53 15.932 2.595 4.055 357 HA SER 53 HA SER 53 17.310 4.827 2.720 358 HB2 SER 53 1HB SER 53 16.966 1.967 1.786 359 HB3 SER 53 2HB SER 53 17.849 3.231 0.929 360 HG SER 53 HG SER 53 19.138 1.772 2.272 361 H MET 54 H MET 54 14.500 4.840 3.429 362 HA MET 54 HA MET 54 13.276 4.781 0.750 363 HB2 MET 54 1HB MET 54 11.163 4.387 1.754 364 HB3 MET 54 2HB MET 54 12.288 3.288 2.541 365 HG2 MET 54 1HG MET 54 12.220 4.422 4.534 366 HG3 MET 54 2HG MET 54 11.754 5.943 3.775 367 HE1 MET 54 1HE MET 54 8.941 2.349 4.051 368 HE2 MET 54 2HE MET 54 9.382 2.954 2.454 369 HE3 MET 54 3HE MET 54 10.633 2.366 3.551 370 H GLY 55 H GLY 55 14.864 6.913 2.284 371 HA2 GLY 55 1HA GLY 55 14.233 9.218 1.302 372 HA3 GLY 55 2HA GLY 55 12.825 9.033 2.337 373 H ALA 56 H ALA 56 13.532 8.334 4.687 374 HA ALA 56 HA ALA 56 15.590 10.271 5.510 375 HB1 ALA 56 1HB ALA 56 12.959 9.543 6.590 376 HB2 ALA 56 2HB ALA 56 14.233 9.736 7.795 377 HB3 ALA 56 3HB ALA 56 13.852 11.060 6.694 378 H THR 57 H THR 57 16.591 9.676 7.707 379 HA THR 57 HA THR 57 17.058 6.791 7.941 380 HB THR 57 HB THR 57 19.467 7.082 8.102 381 HG1 THR 57 1HG THR 57 20.416 9.074 7.863 382 HG21 THR 57 1HG2 THR 57 18.733 6.575 5.902 383 HG22 THR 57 2HG2 THR 57 19.919 7.870 5.737 384 HG23 THR 57 3HG2 THR 57 18.196 8.231 5.624 385 H ALA 58 H ALA 58 17.840 6.113 9.990 386 HA ALA 58 HA ALA 58 18.157 8.043 12.114 387 HB1 ALA 58 1HB ALA 58 16.273 6.527 13.344 388 HB2 ALA 58 2HB ALA 58 15.965 8.096 12.599 389 HB3 ALA 58 3HB ALA 58 15.626 6.613 11.706 390 HA PRO 59 HA PRO 59 20.726 4.873 13.743 391 HB2 PRO 59 1HB PRO 59 20.663 5.487 16.387 392 HB3 PRO 59 2HB PRO 59 21.538 6.457 15.196 393 HG2 PRO 59 1HG PRO 59 18.838 6.923 16.404 394 HG3 PRO 59 2HG PRO 59 20.143 8.085 16.098 395 HD2 PRO 59 1HD PRO 59 17.995 7.843 14.466 396 HD3 PRO 59 2HD PRO 59 19.605 8.294 13.867 397 H GLU 60 H GLU 60 17.431 4.960 14.269 398 HA GLU 60 HA GLU 60 17.496 2.446 15.805 399 HB2 GLU 60 1HB GLU 60 15.359 4.577 15.677 400 HB3 GLU 60 2HB GLU 60 15.137 3.012 16.446 401 HG2 GLU 60 1HG GLU 60 17.366 4.841 17.251 402 HG3 GLU 60 2HG GLU 60 15.743 5.011 17.918 403 H ALA 61 H ALA 61 15.662 4.190 13.303 404 HA ALA 61 HA ALA 61 14.378 1.787 12.379 405 HB1 ALA 61 1HB ALA 61 14.361 4.651 11.525 406 HB2 ALA 61 2HB ALA 61 13.696 3.406 10.466 407 HB3 ALA 61 3HB ALA 61 13.029 3.638 12.082 408 H GLN 62 H GLN 62 16.749 0.901 12.199 409 HA GLN 62 HA GLN 62 17.505 1.146 9.369 410 HB2 GLN 62 1HB GLN 62 19.901 0.779 10.139 411 HB3 GLN 62 2HB GLN 62 19.211 2.365 10.457 412 HG2 GLN 62 1HG GLN 62 18.947 1.909 12.747 413 HG3 GLN 62 2HG GLN 62 19.215 0.182 12.514 414 HE21 GLN 62 1HE2 GLN 62 20.574 2.853 13.719 415 HE22 GLN 62 2HE2 GLN 62 22.247 2.474 13.520 416 H ARG 63 H ARG 63 18.572 -0.731 8.484 417 HA ARG 63 HA ARG 63 18.650 -2.965 8.057 418 HB2 ARG 63 1HB ARG 63 19.245 -2.841 10.997 419 HB3 ARG 63 2HB ARG 63 19.138 -4.391 10.175 420 HG2 ARG 63 1HG ARG 63 20.974 -2.163 9.329 421 HG3 ARG 63 2HG ARG 63 21.446 -3.491 10.391 422 HD2 ARG 63 1HD ARG 63 22.114 -4.361 8.394 423 HD3 ARG 63 2HD ARG 63 20.449 -4.939 8.414 424 HE ARG 63 HE ARG 63 19.963 -3.523 6.671 425 HH11 ARG 63 2HH1 ARG 63 23.073 -2.709 8.008 426 HH12 ARG 63 1HH1 ARG 63 23.480 -1.613 6.730 427 HH21 ARG 63 2HH2 ARG 63 20.488 -2.081 4.983 428 HH22 ARG 63 1HH2 ARG 63 22.009 -1.256 5.011 429 H GLU 64 H GLU 64 16.050 -1.699 8.728 430 HA GLU 64 HA GLU 64 14.603 -4.121 9.583 431 HB2 GLU 64 1HB GLU 64 14.459 -2.082 11.097 432 HB3 GLU 64 2HB GLU 64 13.560 -1.300 9.805 433 HG2 GLU 64 1HG GLU 64 11.895 -2.113 11.179 434 HG3 GLU 64 2HG GLU 64 12.013 -3.351 9.930 435 H THR 65 H THR 65 12.907 -4.830 8.359 436 HA THR 65 HA THR 65 12.545 -3.485 5.765 437 HB THR 65 HB THR 65 11.534 -5.812 5.152 438 HG1 THR 65 1HG THR 65 12.214 -7.486 6.411 439 HG21 THR 65 1HG2 THR 65 14.400 -6.241 5.452 440 HG22 THR 65 2HG2 THR 65 14.012 -4.644 4.813 441 HG23 THR 65 3HG2 THR 65 13.428 -6.089 3.990 442 H VAL 66 H VAL 66 10.711 -2.400 5.546 443 HA VAL 66 HA VAL 66 8.370 -3.230 7.122 444 HB VAL 66 HB VAL 66 7.504 -0.984 6.834 445 HG11 VAL 66 1HG1 VAL 66 8.912 -1.286 8.741 446 HG12 VAL 66 2HG1 VAL 66 10.369 -1.082 7.766 447 HG13 VAL 66 3HG1 VAL 66 9.289 0.286 8.037 448 HG21 VAL 66 1HG2 VAL 66 8.138 0.356 5.179 449 HG22 VAL 66 2HG2 VAL 66 9.810 0.329 5.742 450 HG23 VAL 66 3HG2 VAL 66 9.236 -0.909 4.624 451 H PHE 67 H PHE 67 6.232 -2.765 6.049 452 HA PHE 67 HA PHE 67 6.333 -3.774 3.297 453 HB2 PHE 67 1HB PHE 67 4.232 -3.872 5.448 454 HB3 PHE 67 2HB PHE 67 3.828 -4.189 3.764 455 HD1 PHE 67 2HD PHE 67 5.623 -5.880 2.623 456 HD2 PHE 67 1HD PHE 67 4.581 -5.716 6.746 457 HE1 PHE 67 2HE PHE 67 6.337 -8.219 2.892 458 HE2 PHE 67 1HE PHE 67 5.294 -8.055 7.023 459 HZ PHE 67 HZ PHE 67 6.173 -9.310 5.094 460 H VAL 68 H VAL 68 5.859 -2.481 1.653 461 HA VAL 68 HA VAL 68 4.236 -0.076 2.171 462 HB VAL 68 HB VAL 68 5.562 1.165 0.553 463 HG11 VAL 68 1HG1 VAL 68 7.686 1.301 1.824 464 HG12 VAL 68 2HG1 VAL 68 6.254 1.320 2.855 465 HG13 VAL 68 3HG1 VAL 68 7.213 -0.152 2.705 466 HG21 VAL 68 1HG2 VAL 68 7.308 -1.290 0.394 467 HG22 VAL 68 2HG2 VAL 68 6.210 -0.733 -0.868 468 HG23 VAL 68 3HG2 VAL 68 7.600 0.252 -0.411 469 H CYS 69 H CYS 69 3.436 0.882 0.015 470 HA CYS 69 HA CYS 69 2.100 -1.271 -1.415 471 HB2 CYS 69 1HB CYS 69 0.613 0.411 -2.255 472 HB3 CYS 69 2HB CYS 69 0.857 0.730 -0.541 473 H ALA 70 H ALA 70 2.284 -1.683 -3.582 474 HA ALA 70 HA ALA 70 4.605 -1.571 -4.911 475 HB1 ALA 70 1HB ALA 70 2.964 -1.225 -7.030 476 HB2 ALA 70 2HB ALA 70 3.160 -2.752 -6.169 477 HB3 ALA 70 3HB ALA 70 1.801 -1.694 -5.790 478 H SER 71 H SER 71 2.075 0.906 -5.375 479 HA SER 71 HA SER 71 3.287 2.626 -7.070 480 HB2 SER 71 1HB SER 71 1.041 2.983 -6.086 481 HB3 SER 71 2HB SER 71 1.800 3.475 -4.572 482 HG SER 71 HG SER 71 2.900 5.109 -5.936 483 H CYS 72 H CYS 72 3.943 2.343 -3.609 484 HA CYS 72 HA CYS 72 5.889 4.469 -3.637 485 HB2 CYS 72 1HB CYS 72 5.099 2.447 -1.536 486 HB3 CYS 72 2HB CYS 72 6.336 3.673 -1.282 487 H ASN 73 H ASN 73 6.158 1.013 -2.784 488 HA ASN 73 HA ASN 73 8.789 0.621 -2.634 489 HB2 ASN 73 1HB ASN 73 7.234 -1.234 -2.489 490 HB3 ASN 73 2HB ASN 73 6.867 -1.105 -4.207 491 HD21 ASN 73 1HD2 ASN 73 8.487 -1.675 -5.724 492 HD22 ASN 73 2HD2 ASN 73 9.757 -2.763 -5.289 493 H GLN 74 H GLN 74 7.041 1.118 -5.660 494 HA GLN 74 HA GLN 74 9.245 0.674 -7.379 495 HB2 GLN 74 1HB GLN 74 6.621 2.107 -7.716 496 HB3 GLN 74 2HB GLN 74 7.815 2.057 -9.006 497 HG2 GLN 74 1HG GLN 74 7.744 -0.420 -8.903 498 HG3 GLN 74 2HG GLN 74 6.439 -0.291 -7.725 499 HE21 GLN 74 1HE2 GLN 74 7.376 0.446 -11.029 500 HE22 GLN 74 2HE2 GLN 74 5.773 0.489 -11.672 501 H THR 75 H THR 75 7.802 3.648 -6.075 502 HA THR 75 HA THR 75 9.684 5.389 -7.303 503 HB THR 75 HB THR 75 7.767 5.786 -5.008 504 HG1 THR 75 1HG THR 75 6.886 7.243 -6.731 505 HG21 THR 75 1HG2 THR 75 9.292 7.409 -4.441 506 HG22 THR 75 2HG2 THR 75 8.327 8.291 -5.624 507 HG23 THR 75 3HG2 THR 75 9.875 7.591 -6.095 508 H LEU 76 H LEU 76 9.315 4.285 -3.932 509 HA LEU 76 HA LEU 76 11.412 5.514 -2.723 510 HB2 LEU 76 1HB LEU 76 10.562 2.643 -2.380 511 HB3 LEU 76 2HB LEU 76 11.604 3.522 -1.263 512 HG LEU 76 HG LEU 76 8.732 4.213 -1.878 513 HD11 LEU 76 1HD1 LEU 76 8.628 2.241 -0.640 514 HD12 LEU 76 2HD1 LEU 76 8.493 3.511 0.575 515 HD13 LEU 76 3HD1 LEU 76 10.027 2.672 0.343 516 HD21 LEU 76 1HD2 LEU 76 9.101 6.153 -0.869 517 HD22 LEU 76 2HD2 LEU 76 10.820 5.766 -0.788 518 HD23 LEU 76 3HD2 LEU 76 9.752 5.324 0.545 519 H SER 77 H SER 77 11.626 2.392 -4.432 520 HA SER 77 HA SER 77 14.544 2.713 -4.523 521 HB2 SER 77 1HB SER 77 14.628 0.316 -5.031 522 HB3 SER 77 2HB SER 77 13.707 0.603 -3.554 523 HG SER 77 HG SER 77 12.880 -0.382 -5.995 524 H LYS 78 H LYS 78 14.133 4.376 -6.216 525 HA LYS 78 HA LYS 78 13.997 3.084 -8.854 526 HB2 LYS 78 1HB LYS 78 12.565 4.675 -9.736 527 HB3 LYS 78 2HB LYS 78 11.920 4.479 -8.111 528 HG2 LYS 78 1HG LYS 78 12.932 6.501 -7.378 529 HG3 LYS 78 2HG LYS 78 13.862 6.646 -8.872 530 HD2 LYS 78 1HD LYS 78 11.653 6.780 -10.088 531 HD3 LYS 78 2HD LYS 78 10.885 6.933 -8.506 532 HE2 LYS 78 1HE LYS 78 12.571 8.861 -8.143 533 HE3 LYS 78 2HE LYS 78 12.749 8.823 -9.896 534 HZ1 LYS 78 1HZ LYS 78 10.218 9.252 -8.403 535 HZ2 LYS 78 2HZ LYS 78 10.344 9.147 -10.086 536 HZ3 LYS 78 3HZ LYS 78 11.085 10.425 -9.261 537 H SER 79 H SER 79 15.241 4.073 -10.503 538 HA SER 79 HA SER 79 17.748 5.014 -9.699 539 HB2 SER 79 1HB SER 79 17.336 3.904 -11.865 540 HB3 SER 79 2HB SER 79 16.431 5.315 -12.410 541 HG SER 79 HG SER 79 19.094 5.540 -11.505 542 H GLY 80 H GLY 80 18.341 6.929 -8.943 543 HA2 GLY 80 1HA GLY 80 16.740 9.128 -8.576 544 HA3 GLY 80 2HA GLY 80 18.493 9.210 -8.680 545 HA PRO 81 HA PRO 81 16.159 10.967 -12.537 546 HB2 PRO 81 1HB PRO 81 15.426 13.447 -11.712 547 HB3 PRO 81 2HB PRO 81 14.359 12.043 -11.599 548 HG2 PRO 81 1HG PRO 81 16.052 13.309 -9.480 549 HG3 PRO 81 2HG PRO 81 14.387 12.710 -9.372 550 HD2 PRO 81 1HD PRO 81 16.507 11.290 -8.466 551 HD3 PRO 81 2HD PRO 81 15.057 10.517 -9.138 552 H SER 82 H SER 82 17.033 12.605 -13.913 553 HA SER 82 HA SER 82 19.787 13.171 -13.378 554 HB2 SER 82 1HB SER 82 17.926 13.761 -15.667 555 HB3 SER 82 2HB SER 82 19.543 14.464 -15.612 556 HG SER 82 HG SER 82 19.452 12.451 -16.747 557 H SER 83 H SER 83 20.420 14.767 -12.097 558 HA SER 83 HA SER 83 18.908 16.837 -11.102 559 HB2 SER 83 1HB SER 83 21.023 16.312 -10.092 560 HB3 SER 83 2HB SER 83 21.891 16.700 -11.578 561 HG SER 83 HG SER 83 21.742 18.772 -11.141 562 H GLY 84 H GLY 84 21.215 17.045 -13.818 563 HA2 GLY 84 1HA GLY 84 20.993 19.636 -14.566 564 HA3 GLY 84 2HA GLY 84 21.097 18.330 -15.737 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -25.586 33.716 -2.514 2 HA2 GLY 1 1HA GLY 1 -26.239 34.172 -4.850 3 HA3 GLY 1 2HA GLY 1 -24.511 33.870 -4.742 4 H SER 2 H SER 2 -23.950 31.440 -4.863 5 HA SER 2 HA SER 2 -25.735 29.854 -6.488 6 HB2 SER 2 1HB SER 2 -23.092 30.776 -7.645 7 HB3 SER 2 2HB SER 2 -24.223 29.652 -8.399 8 HG SER 2 HG SER 2 -25.765 31.520 -8.140 9 H SER 3 H SER 3 -25.107 27.677 -6.645 10 HA SER 3 HA SER 3 -23.790 26.602 -4.455 11 HB2 SER 3 1HB SER 3 -24.597 25.517 -7.126 12 HB3 SER 3 2HB SER 3 -23.580 24.530 -6.076 13 HG SER 3 HG SER 3 -25.254 24.143 -4.876 14 H GLY 4 H GLY 4 -21.863 25.031 -4.685 15 HA2 GLY 4 1HA GLY 4 -19.812 25.821 -6.554 16 HA3 GLY 4 2HA GLY 4 -19.515 26.373 -4.912 17 H SER 5 H SER 5 -19.647 23.638 -7.045 18 HA SER 5 HA SER 5 -18.915 21.801 -4.893 19 HB2 SER 5 1HB SER 5 -19.064 20.072 -6.743 20 HB3 SER 5 2HB SER 5 -20.570 20.908 -6.365 21 HG SER 5 HG SER 5 -20.599 21.634 -8.328 22 H SER 6 H SER 6 -16.841 21.656 -4.384 23 HA SER 6 HA SER 6 -14.858 21.654 -6.559 24 HB2 SER 6 1HB SER 6 -14.801 23.827 -5.368 25 HB3 SER 6 2HB SER 6 -14.498 22.973 -3.856 26 HG SER 6 HG SER 6 -12.828 22.672 -6.117 27 H GLY 7 H GLY 7 -13.349 20.079 -6.470 28 HA2 GLY 7 1HA GLY 7 -12.035 18.819 -4.568 29 HA3 GLY 7 2HA GLY 7 -13.626 18.118 -4.316 30 H ARG 8 H ARG 8 -12.314 16.128 -4.757 31 HA ARG 8 HA ARG 8 -12.470 15.523 -7.623 32 HB2 ARG 8 1HB ARG 8 -10.361 14.345 -7.591 33 HB3 ARG 8 2HB ARG 8 -10.104 15.997 -7.045 34 HG2 ARG 8 1HG ARG 8 -10.492 13.723 -5.126 35 HG3 ARG 8 2HG ARG 8 -8.909 14.157 -5.774 36 HD2 ARG 8 1HD ARG 8 -9.675 16.571 -4.976 37 HD3 ARG 8 2HD ARG 8 -10.655 15.615 -3.865 38 HE ARG 8 HE ARG 8 -8.742 14.987 -2.753 39 HH11 ARG 8 2HH1 ARG 8 -7.904 16.537 -5.756 40 HH12 ARG 8 1HH1 ARG 8 -6.217 16.651 -5.377 41 HH21 ARG 8 2HH2 ARG 8 -6.523 15.131 -2.243 42 HH22 ARG 8 1HH2 ARG 8 -5.433 15.850 -3.379 43 H TYR 9 H TYR 9 -13.076 13.434 -8.123 44 HA TYR 9 HA TYR 9 -14.007 11.829 -5.839 45 HB2 TYR 9 1HB TYR 9 -14.971 11.713 -8.702 46 HB3 TYR 9 2HB TYR 9 -15.678 10.889 -7.317 47 HD1 TYR 9 1HD TYR 9 -16.788 12.252 -5.523 48 HD2 TYR 9 2HD TYR 9 -15.560 13.943 -9.229 49 HE1 TYR 9 1HE TYR 9 -18.271 14.175 -5.130 50 HE2 TYR 9 2HE TYR 9 -17.039 15.870 -8.846 51 HH TYR 9 HH TYR 9 -18.917 16.528 -7.589 52 HA PRO 10 HA PRO 10 -11.249 8.560 -6.833 53 HB2 PRO 10 1HB PRO 10 -12.709 6.412 -6.045 54 HB3 PRO 10 2HB PRO 10 -11.968 7.540 -4.904 55 HG2 PRO 10 1HG PRO 10 -14.798 7.410 -5.872 56 HG3 PRO 10 2HG PRO 10 -14.188 7.681 -4.229 57 HD2 PRO 10 1HD PRO 10 -15.051 9.700 -5.813 58 HD3 PRO 10 2HD PRO 10 -13.751 9.909 -4.622 59 H THR 11 H THR 11 -10.878 6.825 -8.279 60 HA THR 11 HA THR 11 -11.907 7.009 -10.800 61 HB THR 11 HB THR 11 -9.893 5.707 -10.269 62 HG1 THR 11 1HG THR 11 -11.534 5.237 -12.140 63 HG21 THR 11 1HG2 THR 11 -10.071 3.430 -9.410 64 HG22 THR 11 2HG2 THR 11 -11.817 3.615 -9.244 65 HG23 THR 11 3HG2 THR 11 -10.728 4.582 -8.250 66 H ASN 12 H ASN 12 -13.050 4.891 -8.196 67 HA ASN 12 HA ASN 12 -15.529 4.490 -9.733 68 HB2 ASN 12 1HB ASN 12 -15.684 2.212 -8.905 69 HB3 ASN 12 2HB ASN 12 -14.142 2.431 -9.728 70 HD21 ASN 12 1HD2 ASN 12 -15.258 0.707 -7.434 71 HD22 ASN 12 2HD2 ASN 12 -14.021 0.810 -6.232 72 H ASN 13 H ASN 13 -14.132 4.162 -6.468 73 HA ASN 13 HA ASN 13 -15.989 5.903 -5.262 74 HB2 ASN 13 1HB ASN 13 -17.313 3.683 -5.842 75 HB3 ASN 13 2HB ASN 13 -16.541 3.106 -4.367 76 HD21 ASN 13 1HD2 ASN 13 -18.921 5.183 -5.725 77 HD22 ASN 13 2HD2 ASN 13 -19.620 5.714 -4.237 78 H PHE 14 H PHE 14 -16.059 5.258 -2.717 79 HA PHE 14 HA PHE 14 -13.249 5.184 -1.965 80 HB2 PHE 14 1HB PHE 14 -15.624 5.619 -0.151 81 HB3 PHE 14 2HB PHE 14 -13.944 6.044 0.158 82 HD1 PHE 14 2HD PHE 14 -12.886 7.873 -1.196 83 HD2 PHE 14 1HD PHE 14 -17.071 7.098 -1.252 84 HE1 PHE 14 2HE PHE 14 -13.287 10.121 -2.113 85 HE2 PHE 14 1HE PHE 14 -17.478 9.345 -2.170 86 HZ PHE 14 HZ PHE 14 -15.585 10.860 -2.600 87 H GLY 15 H GLY 15 -12.844 4.055 0.256 88 HA2 GLY 15 1HA GLY 15 -12.755 2.112 1.487 89 HA3 GLY 15 2HA GLY 15 -14.347 1.713 0.857 90 H ASN 16 H ASN 16 -11.462 2.313 -1.074 91 HA ASN 16 HA ASN 16 -11.241 -0.548 -1.655 92 HB2 ASN 16 1HB ASN 16 -11.138 1.387 -3.941 93 HB3 ASN 16 2HB ASN 16 -11.495 -0.338 -3.956 94 HD21 ASN 16 1HD2 ASN 16 -13.443 -0.518 -2.049 95 HD22 ASN 16 2HD2 ASN 16 -14.846 0.346 -2.567 96 H CYS 17 H CYS 17 -9.225 -1.131 -2.711 97 HA CYS 17 HA CYS 17 -6.976 -0.061 -1.516 98 HB2 CYS 17 1HB CYS 17 -7.023 -2.278 -2.569 99 HB3 CYS 17 2HB CYS 17 -7.134 -1.528 -4.158 100 H THR 18 H THR 18 -5.297 1.286 -2.220 101 HA THR 18 HA THR 18 -6.157 3.333 -4.126 102 HB THR 18 HB THR 18 -3.667 3.535 -2.461 103 HG1 THR 18 1HG THR 18 -4.967 4.399 -0.786 104 HG21 THR 18 1HG2 THR 18 -5.598 5.741 -3.031 105 HG22 THR 18 2HG2 THR 18 -4.517 5.191 -4.310 106 HG23 THR 18 3HG2 THR 18 -3.852 5.808 -2.799 107 H GLY 19 H GLY 19 -5.001 0.613 -4.805 108 HA2 GLY 19 1HA GLY 19 -2.870 1.632 -6.574 109 HA3 GLY 19 2HA GLY 19 -2.680 0.111 -5.715 110 H CYS 20 H CYS 20 -4.933 -1.227 -6.028 111 HA CYS 20 HA CYS 20 -5.156 -1.516 -8.945 112 HB2 CYS 20 1HB CYS 20 -5.958 -3.827 -8.420 113 HB3 CYS 20 2HB CYS 20 -4.309 -3.507 -7.890 114 H SER 21 H SER 21 -6.787 -0.170 -6.445 115 HA SER 21 HA SER 21 -8.938 0.473 -6.068 116 HB2 SER 21 1HB SER 21 -9.024 0.046 -9.058 117 HB3 SER 21 2HB SER 21 -10.360 0.747 -8.146 118 HG SER 21 HG SER 21 -7.710 1.763 -8.254 119 H ALA 22 H ALA 22 -8.504 -2.103 -5.336 120 HA ALA 22 HA ALA 22 -10.882 -3.562 -6.281 121 HB1 ALA 22 1HB ALA 22 -9.731 -5.480 -6.198 122 HB2 ALA 22 2HB ALA 22 -8.302 -4.445 -6.181 123 HB3 ALA 22 3HB ALA 22 -8.961 -5.064 -4.667 124 H THR 23 H THR 23 -12.538 -3.104 -4.966 125 HA THR 23 HA THR 23 -12.547 -2.162 -2.411 126 HB THR 23 HB THR 23 -14.561 -4.211 -3.332 127 HG1 THR 23 1HG THR 23 -14.402 -2.736 -5.004 128 HG21 THR 23 1HG2 THR 23 -15.620 -3.625 -1.462 129 HG22 THR 23 2HG2 THR 23 -15.722 -1.969 -2.061 130 HG23 THR 23 3HG2 THR 23 -14.347 -2.468 -1.076 131 H PHE 24 H PHE 24 -12.703 -3.047 -0.333 132 HA PHE 24 HA PHE 24 -11.317 -5.592 -0.036 133 HB2 PHE 24 1HB PHE 24 -12.125 -3.575 2.070 134 HB3 PHE 24 2HB PHE 24 -11.069 -4.962 2.314 135 HD1 PHE 24 2HD PHE 24 -11.372 -1.678 0.674 136 HD2 PHE 24 1HD PHE 24 -8.776 -4.883 1.727 137 HE1 PHE 24 2HE PHE 24 -9.427 -0.294 0.078 138 HE2 PHE 24 1HE PHE 24 -6.827 -3.503 1.133 139 HZ PHE 24 HZ PHE 24 -7.151 -1.206 0.307 140 H SER 25 H SER 25 -12.913 -7.088 -0.560 141 HA SER 25 HA SER 25 -15.003 -7.393 1.483 142 HB2 SER 25 1HB SER 25 -15.319 -7.297 -1.482 143 HB3 SER 25 2HB SER 25 -16.328 -8.428 -0.581 144 HG SER 25 HG SER 25 -17.521 -6.683 -0.387 145 H VAL 26 H VAL 26 -13.448 -9.041 -1.270 146 HA VAL 26 HA VAL 26 -13.980 -11.657 -0.347 147 HB VAL 26 HB VAL 26 -13.481 -11.475 -2.636 148 HG11 VAL 26 1HG1 VAL 26 -11.215 -10.606 -3.394 149 HG12 VAL 26 2HG1 VAL 26 -12.365 -9.408 -2.798 150 HG13 VAL 26 3HG1 VAL 26 -11.041 -9.951 -1.767 151 HG21 VAL 26 1HG2 VAL 26 -12.271 -13.341 -2.724 152 HG22 VAL 26 2HG2 VAL 26 -10.826 -12.509 -2.148 153 HG23 VAL 26 3HG2 VAL 26 -11.992 -13.155 -0.993 154 H LEU 27 H LEU 27 -13.378 -11.522 1.897 155 HA LEU 27 HA LEU 27 -11.926 -11.537 3.690 156 HB2 LEU 27 1HB LEU 27 -10.518 -13.480 1.869 157 HB3 LEU 27 2HB LEU 27 -10.463 -13.449 3.631 158 HG LEU 27 HG LEU 27 -12.988 -13.976 2.077 159 HD11 LEU 27 1HD1 LEU 27 -10.749 -15.781 2.797 160 HD12 LEU 27 2HD1 LEU 27 -11.853 -15.833 1.423 161 HD13 LEU 27 3HD1 LEU 27 -12.393 -16.386 3.008 162 HD21 LEU 27 1HD2 LEU 27 -13.763 -14.900 4.189 163 HD22 LEU 27 2HD2 LEU 27 -13.258 -13.222 4.394 164 HD23 LEU 27 3HD2 LEU 27 -12.209 -14.532 4.938 165 H LYS 28 H LYS 28 -11.319 -9.330 2.169 166 HA LYS 28 HA LYS 28 -8.373 -9.308 2.143 167 HB2 LYS 28 1HB LYS 28 -10.408 -8.047 0.397 168 HB3 LYS 28 2HB LYS 28 -8.997 -7.069 0.778 169 HG2 LYS 28 1HG LYS 28 -7.529 -8.751 -0.125 170 HG3 LYS 28 2HG LYS 28 -8.891 -9.841 -0.395 171 HD2 LYS 28 1HD LYS 28 -9.802 -8.417 -2.071 172 HD3 LYS 28 2HD LYS 28 -8.679 -7.117 -1.666 173 HE2 LYS 28 1HE LYS 28 -7.978 -8.233 -3.703 174 HE3 LYS 28 2HE LYS 28 -6.807 -8.517 -2.416 175 HZ1 LYS 28 1HZ LYS 28 -7.177 -10.562 -3.536 176 HZ2 LYS 28 2HZ LYS 28 -8.857 -10.409 -3.424 177 HZ3 LYS 28 3HZ LYS 28 -7.938 -10.682 -2.030 178 H LYS 29 H LYS 29 -7.733 -8.563 4.073 179 HA LYS 29 HA LYS 29 -9.229 -6.559 5.507 180 HB2 LYS 29 1HB LYS 29 -6.723 -8.118 6.033 181 HB3 LYS 29 2HB LYS 29 -7.102 -6.712 7.019 182 HG2 LYS 29 1HG LYS 29 -9.185 -7.711 7.715 183 HG3 LYS 29 2HG LYS 29 -8.916 -9.086 6.642 184 HD2 LYS 29 1HD LYS 29 -8.283 -9.827 8.788 185 HD3 LYS 29 2HD LYS 29 -6.771 -9.490 7.943 186 HE2 LYS 29 1HE LYS 29 -6.595 -8.594 10.150 187 HE3 LYS 29 2HE LYS 29 -6.755 -7.243 9.030 188 HZ1 LYS 29 1HZ LYS 29 -9.316 -8.018 9.854 189 HZ2 LYS 29 2HZ LYS 29 -8.514 -6.560 10.157 190 HZ3 LYS 29 3HZ LYS 29 -8.356 -7.853 11.237 191 H ARG 30 H ARG 30 -9.078 -4.461 5.104 192 HA ARG 30 HA ARG 30 -7.358 -3.235 3.337 193 HB2 ARG 30 1HB ARG 30 -9.493 -2.371 4.623 194 HB3 ARG 30 2HB ARG 30 -8.296 -1.698 5.721 195 HG2 ARG 30 1HG ARG 30 -7.576 -0.158 4.219 196 HG3 ARG 30 2HG ARG 30 -7.917 -1.191 2.829 197 HD2 ARG 30 1HD ARG 30 -9.588 0.334 2.568 198 HD3 ARG 30 2HD ARG 30 -10.413 -0.809 3.627 199 HE ARG 30 HE ARG 30 -9.033 1.506 4.785 200 HH11 ARG 30 2HH1 ARG 30 -11.966 -0.251 4.129 201 HH12 ARG 30 1HH1 ARG 30 -12.926 0.685 5.226 202 HH21 ARG 30 2HH2 ARG 30 -10.286 2.745 6.233 203 HH22 ARG 30 1HH2 ARG 30 -11.970 2.389 6.422 204 H ARG 31 H ARG 31 -5.207 -3.299 3.404 205 HA ARG 31 HA ARG 31 -3.795 -3.272 5.939 206 HB2 ARG 31 1HB ARG 31 -3.085 -3.827 3.103 207 HB3 ARG 31 2HB ARG 31 -1.802 -3.260 4.163 208 HG2 ARG 31 1HG ARG 31 -1.930 -5.136 5.531 209 HG3 ARG 31 2HG ARG 31 -3.545 -5.558 4.957 210 HD2 ARG 31 1HD ARG 31 -2.731 -6.366 2.915 211 HD3 ARG 31 2HD ARG 31 -1.177 -5.557 3.116 212 HE ARG 31 HE ARG 31 -0.439 -7.397 4.237 213 HH11 ARG 31 2HH1 ARG 31 -3.919 -7.361 4.343 214 HH12 ARG 31 1HH1 ARG 31 -4.040 -8.900 5.130 215 HH21 ARG 31 2HH2 ARG 31 -0.586 -9.423 5.273 216 HH22 ARG 31 1HH2 ARG 31 -2.144 -10.071 5.660 217 H SER 32 H SER 32 -1.879 -1.827 6.189 218 HA SER 32 HA SER 32 -2.396 0.835 5.035 219 HB2 SER 32 1HB SER 32 -1.645 1.802 7.202 220 HB3 SER 32 2HB SER 32 -3.116 0.840 7.357 221 HG SER 32 HG SER 32 -0.755 0.511 8.582 222 H CYS 33 H CYS 33 -0.736 1.689 3.980 223 HA CYS 33 HA CYS 33 1.718 0.354 3.666 224 HB2 CYS 33 1HB CYS 33 0.699 1.953 2.027 225 HB3 CYS 33 2HB CYS 33 1.161 3.271 3.099 226 H SER 34 H SER 34 3.878 1.345 4.095 227 HA SER 34 HA SER 34 3.949 2.324 6.861 228 HB2 SER 34 1HB SER 34 5.219 0.195 5.919 229 HB3 SER 34 2HB SER 34 6.410 1.403 5.439 230 HG SER 34 HG SER 34 5.770 1.996 7.896 231 H ASN 35 H ASN 35 4.897 3.105 3.597 232 HA ASN 35 HA ASN 35 6.477 5.393 4.435 233 HB2 ASN 35 1HB ASN 35 7.290 4.163 2.524 234 HB3 ASN 35 2HB ASN 35 5.741 4.328 1.703 235 HD21 ASN 35 1HD2 ASN 35 6.204 5.515 -0.025 236 HD22 ASN 35 2HD2 ASN 35 6.968 7.065 0.004 237 H CYS 36 H CYS 36 3.968 5.194 1.926 238 HA CYS 36 HA CYS 36 3.174 7.887 2.267 239 HB2 CYS 36 1HB CYS 36 1.495 7.445 0.636 240 HB3 CYS 36 2HB CYS 36 2.896 6.481 0.181 241 H GLY 37 H GLY 37 2.042 4.860 3.617 242 HA2 GLY 37 1HA GLY 37 0.728 4.503 5.483 243 HA3 GLY 37 2HA GLY 37 0.621 6.245 5.689 244 H ASN 38 H ASN 38 -0.310 4.401 2.827 245 HA ASN 38 HA ASN 38 -3.056 5.385 3.200 246 HB2 ASN 38 1HB ASN 38 -1.826 4.378 0.631 247 HB3 ASN 38 2HB ASN 38 -3.331 5.273 0.822 248 HD21 ASN 38 1HD2 ASN 38 -1.279 6.033 -0.905 249 HD22 ASN 38 2HD2 ASN 38 -0.621 7.531 -0.350 250 H SER 39 H SER 39 -4.701 3.896 2.007 251 HA SER 39 HA SER 39 -4.444 1.277 3.236 252 HB2 SER 39 1HB SER 39 -6.753 2.616 1.811 253 HB3 SER 39 2HB SER 39 -6.832 1.012 2.541 254 HG SER 39 HG SER 39 -7.434 3.118 3.771 255 H PHE 40 H PHE 40 -4.269 -0.635 2.182 256 HA PHE 40 HA PHE 40 -4.573 -0.761 -0.702 257 HB2 PHE 40 1HB PHE 40 -1.938 -1.335 0.665 258 HB3 PHE 40 2HB PHE 40 -2.310 -1.776 -0.998 259 HD1 PHE 40 1HD PHE 40 -2.883 0.085 -2.625 260 HD2 PHE 40 2HD PHE 40 -1.121 0.783 1.186 261 HE1 PHE 40 1HE PHE 40 -2.131 2.302 -3.382 262 HE2 PHE 40 2HE PHE 40 -0.366 3.000 0.435 263 HZ PHE 40 HZ PHE 40 -0.871 3.763 -1.851 264 H CYS 41 H CYS 41 -4.229 -3.039 -1.501 265 HA CYS 41 HA CYS 41 -5.615 -4.841 0.281 266 HB2 CYS 41 1HB CYS 41 -5.690 -6.350 -1.656 267 HB3 CYS 41 2HB CYS 41 -6.246 -4.735 -2.084 268 H SER 42 H SER 42 -4.755 -7.291 -0.130 269 HA SER 42 HA SER 42 -2.220 -7.347 1.258 270 HB2 SER 42 1HB SER 42 -2.649 -9.692 1.599 271 HB3 SER 42 2HB SER 42 -4.160 -8.824 1.871 272 HG SER 42 HG SER 42 -3.586 -10.733 0.045 273 H ARG 43 H ARG 43 -2.776 -6.835 -1.807 274 HA ARG 43 HA ARG 43 -0.669 -8.654 -2.773 275 HB2 ARG 43 1HB ARG 43 -2.889 -8.930 -3.866 276 HB3 ARG 43 2HB ARG 43 -2.794 -7.260 -4.408 277 HG2 ARG 43 1HG ARG 43 -1.166 -7.712 -5.963 278 HG3 ARG 43 2HG ARG 43 -0.589 -9.139 -5.101 279 HD2 ARG 43 1HD ARG 43 -2.447 -10.428 -5.812 280 HD3 ARG 43 2HD ARG 43 -3.300 -9.001 -6.399 281 HE ARG 43 HE ARG 43 -1.097 -8.991 -7.921 282 HH11 ARG 43 2HH1 ARG 43 -3.345 -11.523 -7.115 283 HH12 ARG 43 1HH1 ARG 43 -3.128 -12.371 -8.610 284 HH21 ARG 43 2HH2 ARG 43 -0.803 -10.097 -9.894 285 HH22 ARG 43 1HH2 ARG 43 -1.681 -11.559 -10.190 286 H CYS 44 H CYS 44 -1.769 -5.353 -2.537 287 HA CYS 44 HA CYS 44 0.405 -4.336 -4.167 288 HB2 CYS 44 1HB CYS 44 -1.871 -3.043 -2.677 289 HB3 CYS 44 2HB CYS 44 -0.569 -2.090 -3.382 290 H CYS 45 H CYS 45 -0.529 -4.461 -0.767 291 HA CYS 45 HA CYS 45 1.888 -3.051 0.032 292 HB2 CYS 45 1HB CYS 45 -0.343 -2.651 1.136 293 HB3 CYS 45 2HB CYS 45 -0.228 -4.272 1.809 294 HG CYS 45 HG CYS 45 2.564 -2.910 2.597 295 H SER 46 H SER 46 2.435 -5.431 -1.275 296 HA SER 46 HA SER 46 3.365 -7.164 0.920 297 HB2 SER 46 1HB SER 46 1.678 -8.011 -0.941 298 HB3 SER 46 2HB SER 46 3.162 -8.200 -1.875 299 HG SER 46 HG SER 46 2.556 -9.370 0.638 300 H PHE 47 H PHE 47 4.789 -4.879 0.107 301 HA PHE 47 HA PHE 47 7.126 -6.096 -1.212 302 HB2 PHE 47 1HB PHE 47 6.102 -3.259 -1.343 303 HB3 PHE 47 2HB PHE 47 7.715 -3.722 -1.877 304 HD1 PHE 47 1HD PHE 47 4.112 -4.136 -2.514 305 HD2 PHE 47 2HD PHE 47 8.060 -4.811 -3.954 306 HE1 PHE 47 1HE PHE 47 3.201 -4.737 -4.720 307 HE2 PHE 47 2HE PHE 47 7.156 -5.413 -6.161 308 HZ PHE 47 HZ PHE 47 4.724 -5.375 -6.547 309 H LYS 48 H LYS 48 8.894 -6.251 -0.009 310 HA LYS 48 HA LYS 48 8.968 -4.905 2.578 311 HB2 LYS 48 1HB LYS 48 10.627 -7.117 1.369 312 HB3 LYS 48 2HB LYS 48 10.996 -6.387 2.926 313 HG2 LYS 48 1HG LYS 48 8.867 -7.113 3.811 314 HG3 LYS 48 2HG LYS 48 8.408 -7.764 2.236 315 HD2 LYS 48 1HD LYS 48 9.142 -9.641 3.407 316 HD3 LYS 48 2HD LYS 48 10.547 -9.185 2.440 317 HE2 LYS 48 1HE LYS 48 11.199 -7.798 4.546 318 HE3 LYS 48 2HE LYS 48 10.081 -8.878 5.378 319 HZ1 LYS 48 1HZ LYS 48 12.595 -9.476 5.162 320 HZ2 LYS 48 2HZ LYS 48 12.134 -10.042 3.636 321 HZ3 LYS 48 3HZ LYS 48 11.415 -10.682 5.027 322 H VAL 49 H VAL 49 9.954 -3.013 2.762 323 HA VAL 49 HA VAL 49 12.406 -2.536 1.212 324 HB VAL 49 HB VAL 49 11.774 -0.236 0.784 325 HG11 VAL 49 1HG1 VAL 49 10.603 -2.490 -0.402 326 HG12 VAL 49 2HG1 VAL 49 9.320 -1.286 -0.269 327 HG13 VAL 49 3HG1 VAL 49 10.819 -0.890 -1.111 328 HG21 VAL 49 1HG2 VAL 49 8.967 -0.627 1.635 329 HG22 VAL 49 2HG2 VAL 49 10.160 -0.381 2.911 330 HG23 VAL 49 3HG2 VAL 49 9.963 0.829 1.643 331 HA PRO 50 HA PRO 50 14.152 -1.272 5.043 332 HB2 PRO 50 1HB PRO 50 16.068 0.433 4.154 333 HB3 PRO 50 2HB PRO 50 16.185 -1.322 3.975 334 HG2 PRO 50 1HG PRO 50 15.332 0.734 1.973 335 HG3 PRO 50 2HG PRO 50 16.389 -0.672 1.751 336 HD2 PRO 50 1HD PRO 50 13.786 -0.673 1.005 337 HD3 PRO 50 2HD PRO 50 14.616 -2.135 1.577 338 H LYS 51 H LYS 51 13.324 0.080 6.495 339 HA LYS 51 HA LYS 51 11.979 2.488 5.739 340 HB2 LYS 51 1HB LYS 51 11.698 2.776 8.218 341 HB3 LYS 51 2HB LYS 51 11.088 1.254 7.581 342 HG2 LYS 51 1HG LYS 51 12.901 0.039 8.471 343 HG3 LYS 51 2HG LYS 51 13.818 1.509 8.807 344 HD2 LYS 51 1HD LYS 51 12.998 0.906 10.899 345 HD3 LYS 51 2HD LYS 51 11.838 2.118 10.351 346 HE2 LYS 51 1HE LYS 51 10.219 0.500 9.849 347 HE3 LYS 51 2HE LYS 51 11.397 -0.811 9.865 348 HZ1 LYS 51 1HZ LYS 51 9.772 -0.029 11.940 349 HZ2 LYS 51 2HZ LYS 51 11.312 0.520 12.374 350 HZ3 LYS 51 3HZ LYS 51 11.066 -1.116 12.022 351 H SER 52 H SER 52 15.086 1.704 7.182 352 HA SER 52 HA SER 52 15.906 4.129 8.167 353 HB2 SER 52 1HB SER 52 17.175 1.913 8.155 354 HB3 SER 52 2HB SER 52 17.733 2.358 6.543 355 HG SER 52 HG SER 52 18.525 4.332 7.546 356 H SER 53 H SER 53 16.284 2.985 4.816 357 HA SER 53 HA SER 53 17.569 5.099 3.674 358 HB2 SER 53 1HB SER 53 15.453 3.243 2.646 359 HB3 SER 53 2HB SER 53 16.002 4.574 1.628 360 HG SER 53 HG SER 53 17.539 2.453 2.707 361 H MET 54 H MET 54 14.101 4.861 4.360 362 HA MET 54 HA MET 54 13.418 7.368 3.222 363 HB2 MET 54 1HB MET 54 11.973 5.777 5.349 364 HB3 MET 54 2HB MET 54 11.289 7.101 4.416 365 HG2 MET 54 1HG MET 54 11.857 5.680 2.359 366 HG3 MET 54 2HG MET 54 12.037 4.353 3.504 367 HE1 MET 54 1HE MET 54 9.447 4.895 5.661 368 HE2 MET 54 2HE MET 54 8.637 3.583 4.805 369 HE3 MET 54 3HE MET 54 10.385 3.536 5.041 370 H GLY 55 H GLY 55 14.691 9.023 3.972 371 HA2 GLY 55 1HA GLY 55 15.334 10.717 5.382 372 HA3 GLY 55 2HA GLY 55 13.936 10.300 6.361 373 H ALA 56 H ALA 56 16.905 10.975 6.865 374 HA ALA 56 HA ALA 56 18.201 8.773 7.981 375 HB1 ALA 56 1HB ALA 56 18.359 11.713 8.567 376 HB2 ALA 56 2HB ALA 56 19.363 10.535 9.413 377 HB3 ALA 56 3HB ALA 56 19.490 10.705 7.663 378 H THR 57 H THR 57 18.538 8.236 10.238 379 HA THR 57 HA THR 57 16.770 9.176 12.266 380 HB THR 57 HB THR 57 15.210 7.746 10.933 381 HG1 THR 57 1HG THR 57 15.655 6.504 13.432 382 HG21 THR 57 1HG2 THR 57 17.323 6.019 10.735 383 HG22 THR 57 2HG2 THR 57 15.641 5.603 10.404 384 HG23 THR 57 3HG2 THR 57 16.341 5.256 11.985 385 H ALA 58 H ALA 58 16.910 7.694 14.256 386 HA ALA 58 HA ALA 58 19.500 7.481 15.124 387 HB1 ALA 58 1HB ALA 58 18.512 6.938 17.037 388 HB2 ALA 58 2HB ALA 58 16.977 6.898 16.169 389 HB3 ALA 58 3HB ALA 58 17.920 5.420 16.363 390 HA PRO 59 HA PRO 59 21.354 3.848 13.509 391 HB2 PRO 59 1HB PRO 59 22.589 2.763 15.670 392 HB3 PRO 59 2HB PRO 59 23.151 4.244 14.885 393 HG2 PRO 59 1HG PRO 59 21.495 3.921 17.358 394 HG3 PRO 59 2HG PRO 59 22.851 5.023 17.055 395 HD2 PRO 59 1HD PRO 59 20.267 5.824 16.931 396 HD3 PRO 59 2HD PRO 59 21.536 6.528 15.908 397 H GLU 60 H GLU 60 18.744 3.645 15.534 398 HA GLU 60 HA GLU 60 18.725 0.841 16.088 399 HB2 GLU 60 1HB GLU 60 16.525 2.911 16.126 400 HB3 GLU 60 2HB GLU 60 16.315 1.246 16.650 401 HG2 GLU 60 1HG GLU 60 17.978 1.566 18.393 402 HG3 GLU 60 2HG GLU 60 18.240 3.223 17.853 403 H ALA 61 H ALA 61 17.000 2.890 13.745 404 HA ALA 61 HA ALA 61 16.102 0.503 12.319 405 HB1 ALA 61 1HB ALA 61 14.382 2.106 12.674 406 HB2 ALA 61 2HB ALA 61 15.384 3.413 12.041 407 HB3 ALA 61 3HB ALA 61 14.792 2.153 10.959 408 H GLN 62 H GLN 62 18.225 -0.078 11.552 409 HA GLN 62 HA GLN 62 19.117 1.595 9.296 410 HB2 GLN 62 1HB GLN 62 20.770 -0.148 11.129 411 HB3 GLN 62 2HB GLN 62 21.385 0.619 9.671 412 HG2 GLN 62 1HG GLN 62 20.570 2.812 10.746 413 HG3 GLN 62 2HG GLN 62 20.523 1.879 12.241 414 HE21 GLN 62 1HE2 GLN 62 22.339 3.966 10.589 415 HE22 GLN 62 2HE2 GLN 62 23.919 3.496 11.107 416 H ARG 63 H ARG 63 19.039 -1.744 10.527 417 HA ARG 63 HA ARG 63 18.954 -2.682 7.737 418 HB2 ARG 63 1HB ARG 63 20.869 -3.445 9.207 419 HB3 ARG 63 2HB ARG 63 19.682 -4.322 10.164 420 HG2 ARG 63 1HG ARG 63 20.485 -5.947 8.739 421 HG3 ARG 63 2HG ARG 63 19.020 -5.409 7.915 422 HD2 ARG 63 1HD ARG 63 20.578 -3.773 6.678 423 HD3 ARG 63 2HD ARG 63 21.883 -4.808 7.258 424 HE ARG 63 HE ARG 63 19.833 -6.312 5.976 425 HH11 ARG 63 2HH1 ARG 63 22.589 -4.273 5.377 426 HH12 ARG 63 1HH1 ARG 63 22.932 -4.969 3.828 427 HH21 ARG 63 2HH2 ARG 63 20.273 -7.237 3.938 428 HH22 ARG 63 1HH2 ARG 63 21.613 -6.654 3.010 429 H GLU 64 H GLU 64 16.608 -1.721 8.791 430 HA GLU 64 HA GLU 64 15.084 -4.108 9.569 431 HB2 GLU 64 1HB GLU 64 15.036 -1.803 10.835 432 HB3 GLU 64 2HB GLU 64 13.914 -1.355 9.558 433 HG2 GLU 64 1HG GLU 64 12.860 -2.198 11.660 434 HG3 GLU 64 2HG GLU 64 12.379 -3.041 10.188 435 H THR 65 H THR 65 12.966 -4.430 8.588 436 HA THR 65 HA THR 65 12.732 -3.307 5.880 437 HB THR 65 HB THR 65 11.958 -5.556 5.085 438 HG1 THR 65 1HG THR 65 11.647 -6.330 7.339 439 HG21 THR 65 1HG2 THR 65 14.771 -5.716 6.138 440 HG22 THR 65 2HG2 THR 65 14.322 -4.614 4.836 441 HG23 THR 65 3HG2 THR 65 14.125 -6.354 4.627 442 H VAL 66 H VAL 66 10.807 -2.418 5.563 443 HA VAL 66 HA VAL 66 8.542 -3.345 7.205 444 HB VAL 66 HB VAL 66 7.557 -1.100 6.865 445 HG11 VAL 66 1HG1 VAL 66 8.742 -0.086 8.582 446 HG12 VAL 66 2HG1 VAL 66 9.142 -1.792 8.792 447 HG13 VAL 66 3HG1 VAL 66 10.292 -0.705 8.013 448 HG21 VAL 66 1HG2 VAL 66 10.240 -0.321 5.737 449 HG22 VAL 66 2HG2 VAL 66 8.813 -0.632 4.748 450 HG23 VAL 66 3HG2 VAL 66 8.808 0.695 5.910 451 H PHE 67 H PHE 67 6.370 -2.842 6.139 452 HA PHE 67 HA PHE 67 6.481 -3.850 3.389 453 HB2 PHE 67 1HB PHE 67 4.249 -3.821 5.427 454 HB3 PHE 67 2HB PHE 67 4.051 -4.372 3.767 455 HD1 PHE 67 2HD PHE 67 5.424 -6.336 2.979 456 HD2 PHE 67 1HD PHE 67 5.099 -5.239 7.078 457 HE1 PHE 67 2HE PHE 67 6.174 -8.585 3.636 458 HE2 PHE 67 1HE PHE 67 5.850 -7.486 7.743 459 HZ PHE 67 HZ PHE 67 6.388 -9.163 6.021 460 H VAL 68 H VAL 68 5.836 -2.664 1.700 461 HA VAL 68 HA VAL 68 4.288 -0.215 2.202 462 HB VAL 68 HB VAL 68 5.633 1.018 0.581 463 HG11 VAL 68 1HG1 VAL 68 6.345 1.412 2.764 464 HG12 VAL 68 2HG1 VAL 68 7.030 -0.206 2.935 465 HG13 VAL 68 3HG1 VAL 68 7.833 0.990 1.916 466 HG21 VAL 68 1HG2 VAL 68 7.305 -1.490 0.478 467 HG22 VAL 68 2HG2 VAL 68 6.375 -0.779 -0.841 468 HG23 VAL 68 3HG2 VAL 68 7.786 0.064 -0.203 469 H CYS 69 H CYS 69 3.364 0.693 0.147 470 HA CYS 69 HA CYS 69 2.146 -1.471 -1.349 471 HB2 CYS 69 1HB CYS 69 0.591 0.158 -2.150 472 HB3 CYS 69 2HB CYS 69 0.845 0.486 -0.439 473 H ALA 70 H ALA 70 2.303 -1.803 -3.545 474 HA ALA 70 HA ALA 70 4.637 -1.594 -4.862 475 HB1 ALA 70 1HB ALA 70 3.231 -1.515 -7.012 476 HB2 ALA 70 2HB ALA 70 2.994 -2.871 -5.909 477 HB3 ALA 70 3HB ALA 70 1.837 -1.540 -5.931 478 H SER 71 H SER 71 2.020 0.810 -5.179 479 HA SER 71 HA SER 71 3.109 2.602 -6.890 480 HB2 SER 71 1HB SER 71 0.931 3.026 -6.000 481 HB3 SER 71 2HB SER 71 1.555 3.142 -4.355 482 HG SER 71 HG SER 71 1.425 5.210 -4.917 483 H CYS 72 H CYS 72 3.920 2.242 -3.472 484 HA CYS 72 HA CYS 72 5.812 4.425 -3.541 485 HB2 CYS 72 1HB CYS 72 5.066 2.402 -1.429 486 HB3 CYS 72 2HB CYS 72 6.349 3.585 -1.200 487 H ASN 73 H ASN 73 6.114 0.945 -2.802 488 HA ASN 73 HA ASN 73 8.757 0.572 -2.677 489 HB2 ASN 73 1HB ASN 73 7.178 -1.286 -2.587 490 HB3 ASN 73 2HB ASN 73 6.860 -1.126 -4.312 491 HD21 ASN 73 1HD2 ASN 73 8.675 -1.485 -5.768 492 HD22 ASN 73 2HD2 ASN 73 9.882 -2.640 -5.326 493 H GLN 74 H GLN 74 6.975 1.225 -5.643 494 HA GLN 74 HA GLN 74 9.205 0.858 -7.384 495 HB2 GLN 74 1HB GLN 74 6.520 2.183 -7.727 496 HB3 GLN 74 2HB GLN 74 7.718 2.139 -9.014 497 HG2 GLN 74 1HG GLN 74 7.708 -0.331 -8.877 498 HG3 GLN 74 2HG GLN 74 6.414 -0.224 -7.685 499 HE21 GLN 74 1HE2 GLN 74 6.402 -1.489 -10.296 500 HE22 GLN 74 2HE2 GLN 74 5.134 -0.737 -11.196 501 H THR 75 H THR 75 7.650 3.688 -5.923 502 HA THR 75 HA THR 75 9.292 5.620 -7.175 503 HB THR 75 HB THR 75 7.799 5.834 -4.553 504 HG1 THR 75 1HG THR 75 6.758 5.420 -6.829 505 HG21 THR 75 1HG2 THR 75 9.659 7.586 -5.655 506 HG22 THR 75 2HG2 THR 75 8.468 7.961 -4.409 507 HG23 THR 75 3HG2 THR 75 8.094 8.261 -6.106 508 H LEU 76 H LEU 76 9.477 4.006 -4.021 509 HA LEU 76 HA LEU 76 11.689 5.402 -3.017 510 HB2 LEU 76 1HB LEU 76 10.830 2.561 -2.492 511 HB3 LEU 76 2HB LEU 76 11.991 3.466 -1.524 512 HG LEU 76 HG LEU 76 9.080 4.187 -1.854 513 HD11 LEU 76 1HD1 LEU 76 9.011 2.261 -0.572 514 HD12 LEU 76 2HD1 LEU 76 9.122 3.531 0.646 515 HD13 LEU 76 3HD1 LEU 76 10.555 2.601 0.209 516 HD21 LEU 76 1HD2 LEU 76 9.609 6.138 -0.944 517 HD22 LEU 76 2HD2 LEU 76 11.314 5.689 -0.968 518 HD23 LEU 76 3HD2 LEU 76 10.322 5.313 0.442 519 H SER 77 H SER 77 11.575 2.239 -4.658 520 HA SER 77 HA SER 77 14.351 1.837 -4.742 521 HB2 SER 77 1HB SER 77 12.538 0.114 -5.172 522 HB3 SER 77 2HB SER 77 12.385 0.800 -6.789 523 HG SER 77 HG SER 77 14.283 -0.014 -7.336 524 H LYS 78 H LYS 78 12.135 3.305 -7.084 525 HA LYS 78 HA LYS 78 13.854 3.689 -9.211 526 HB2 LYS 78 1HB LYS 78 11.462 4.179 -9.324 527 HB3 LYS 78 2HB LYS 78 11.672 5.536 -8.226 528 HG2 LYS 78 1HG LYS 78 12.657 6.857 -9.822 529 HG3 LYS 78 2HG LYS 78 13.224 5.478 -10.767 530 HD2 LYS 78 1HD LYS 78 10.306 6.152 -10.472 531 HD3 LYS 78 2HD LYS 78 11.312 6.825 -11.757 532 HE2 LYS 78 1HE LYS 78 11.854 4.549 -12.503 533 HE3 LYS 78 2HE LYS 78 10.819 3.894 -11.235 534 HZ1 LYS 78 1HZ LYS 78 9.605 5.838 -13.029 535 HZ2 LYS 78 2HZ LYS 78 8.952 4.431 -12.355 536 HZ3 LYS 78 3HZ LYS 78 9.973 4.330 -13.700 537 H SER 79 H SER 79 13.343 5.797 -6.399 538 HA SER 79 HA SER 79 14.685 7.359 -5.423 539 HB2 SER 79 1HB SER 79 16.470 5.584 -5.913 540 HB3 SER 79 2HB SER 79 16.897 6.565 -7.315 541 HG SER 79 HG SER 79 17.661 8.105 -6.033 542 H GLY 80 H GLY 80 12.966 8.147 -7.449 543 HA2 GLY 80 1HA GLY 80 14.498 10.370 -8.643 544 HA3 GLY 80 2HA GLY 80 13.298 9.489 -9.577 545 HA PRO 81 HA PRO 81 11.121 12.236 -6.185 546 HB2 PRO 81 1HB PRO 81 12.512 14.494 -5.605 547 HB3 PRO 81 2HB PRO 81 12.673 13.001 -4.673 548 HG2 PRO 81 1HG PRO 81 14.438 14.084 -6.834 549 HG3 PRO 81 2HG PRO 81 14.890 13.332 -5.293 550 HD2 PRO 81 1HD PRO 81 14.944 11.986 -7.642 551 HD3 PRO 81 2HD PRO 81 14.568 11.196 -6.097 552 H SER 82 H SER 82 9.726 12.651 -7.884 553 HA SER 82 HA SER 82 10.163 14.188 -10.131 554 HB2 SER 82 1HB SER 82 7.682 14.548 -10.150 555 HB3 SER 82 2HB SER 82 8.154 12.865 -9.918 556 HG SER 82 HG SER 82 7.400 12.911 -7.930 557 H SER 83 H SER 83 8.843 15.266 -7.007 558 HA SER 83 HA SER 83 9.744 17.987 -7.663 559 HB2 SER 83 1HB SER 83 7.402 18.121 -8.031 560 HB3 SER 83 2HB SER 83 7.045 17.152 -6.602 561 HG SER 83 HG SER 83 7.328 18.856 -5.352 562 H GLY 84 H GLY 84 10.196 19.332 -5.827 563 HA2 GLY 84 1HA GLY 84 10.842 17.744 -3.422 564 HA3 GLY 84 2HA GLY 84 11.784 19.118 -3.983 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -18.760 35.939 -13.523 2 HA2 GLY 1 1HA GLY 1 -17.662 37.651 -11.382 3 HA3 GLY 1 2HA GLY 1 -17.669 35.899 -11.243 4 H SER 2 H SER 2 -16.220 38.654 -12.814 5 HA SER 2 HA SER 2 -14.592 37.496 -14.698 6 HB2 SER 2 1HB SER 2 -13.013 39.382 -14.269 7 HB3 SER 2 2HB SER 2 -14.690 39.903 -14.428 8 HG SER 2 HG SER 2 -14.634 39.632 -11.986 9 H SER 3 H SER 3 -13.956 37.841 -11.223 10 HA SER 3 HA SER 3 -11.380 36.807 -11.151 11 HB2 SER 3 1HB SER 3 -13.522 36.428 -9.046 12 HB3 SER 3 2HB SER 3 -11.778 36.346 -8.795 13 HG SER 3 HG SER 3 -12.789 38.671 -9.943 14 H GLY 4 H GLY 4 -10.504 34.812 -11.223 15 HA2 GLY 4 1HA GLY 4 -12.306 32.489 -11.158 16 HA3 GLY 4 2HA GLY 4 -11.231 32.703 -12.532 17 H SER 5 H SER 5 -11.538 30.818 -10.034 18 HA SER 5 HA SER 5 -8.793 30.117 -9.901 19 HB2 SER 5 1HB SER 5 -8.785 32.124 -8.414 20 HB3 SER 5 2HB SER 5 -9.941 31.305 -7.365 21 HG SER 5 HG SER 5 -7.711 29.817 -7.968 22 H SER 6 H SER 6 -8.699 28.002 -9.527 23 HA SER 6 HA SER 6 -10.645 26.738 -7.759 24 HB2 SER 6 1HB SER 6 -11.330 25.086 -9.366 25 HB3 SER 6 2HB SER 6 -11.571 26.671 -10.100 26 HG SER 6 HG SER 6 -9.216 26.136 -10.839 27 H GLY 7 H GLY 7 -9.437 25.673 -6.342 28 HA2 GLY 7 1HA GLY 7 -6.792 24.719 -7.072 29 HA3 GLY 7 2HA GLY 7 -7.504 24.697 -5.465 30 H ARG 8 H ARG 8 -6.074 22.588 -6.931 31 HA ARG 8 HA ARG 8 -7.998 20.623 -7.721 32 HB2 ARG 8 1HB ARG 8 -6.099 19.111 -7.893 33 HB3 ARG 8 2HB ARG 8 -5.708 20.659 -8.630 34 HG2 ARG 8 1HG ARG 8 -4.683 21.203 -6.301 35 HG3 ARG 8 2HG ARG 8 -4.676 19.448 -6.109 36 HD2 ARG 8 1HD ARG 8 -2.556 20.047 -6.987 37 HD3 ARG 8 2HD ARG 8 -3.467 19.320 -8.310 38 HE ARG 8 HE ARG 8 -3.895 22.053 -8.453 39 HH11 ARG 8 2HH1 ARG 8 -1.207 19.852 -8.676 40 HH12 ARG 8 1HH1 ARG 8 -0.301 20.862 -9.753 41 HH21 ARG 8 2HH2 ARG 8 -2.712 23.391 -9.872 42 HH22 ARG 8 1HH2 ARG 8 -1.158 22.876 -10.432 43 H TYR 9 H TYR 9 -8.167 18.486 -6.667 44 HA TYR 9 HA TYR 9 -7.778 18.571 -3.760 45 HB2 TYR 9 1HB TYR 9 -10.117 17.362 -3.716 46 HB3 TYR 9 2HB TYR 9 -10.019 19.119 -3.739 47 HD1 TYR 9 2HD TYR 9 -10.712 16.126 -5.782 48 HD2 TYR 9 1HD TYR 9 -10.829 20.376 -5.601 49 HE1 TYR 9 2HE TYR 9 -12.098 16.169 -7.813 50 HE2 TYR 9 1HE TYR 9 -12.217 20.430 -7.631 51 HH TYR 9 HH TYR 9 -13.924 18.107 -8.753 52 HA PRO 10 HA PRO 10 -6.235 14.492 -4.385 53 HB2 PRO 10 1HB PRO 10 -6.423 13.587 -1.833 54 HB3 PRO 10 2HB PRO 10 -5.193 14.744 -2.353 55 HG2 PRO 10 1HG PRO 10 -7.783 15.242 -0.938 56 HG3 PRO 10 2HG PRO 10 -6.188 15.956 -0.636 57 HD2 PRO 10 1HD PRO 10 -8.126 17.250 -2.014 58 HD3 PRO 10 2HD PRO 10 -6.399 17.468 -2.362 59 H THR 11 H THR 11 -6.891 12.187 -3.270 60 HA THR 11 HA THR 11 -9.524 11.655 -4.333 61 HB THR 11 HB THR 11 -7.462 9.804 -3.123 62 HG1 THR 11 1HG THR 11 -6.849 9.467 -5.167 63 HG21 THR 11 1HG2 THR 11 -8.975 8.109 -4.444 64 HG22 THR 11 2HG2 THR 11 -10.219 9.327 -4.162 65 HG23 THR 11 3HG2 THR 11 -9.387 8.583 -2.797 66 H ASN 12 H ASN 12 -10.556 13.017 -2.625 67 HA ASN 12 HA ASN 12 -10.583 12.438 0.079 68 HB2 ASN 12 1HB ASN 12 -12.416 13.827 0.229 69 HB3 ASN 12 2HB ASN 12 -11.792 14.305 -1.347 70 HD21 ASN 12 1HD2 ASN 12 -13.032 14.050 -3.103 71 HD22 ASN 12 2HD2 ASN 12 -14.600 13.325 -3.102 72 H ASN 13 H ASN 13 -12.482 10.983 -2.527 73 HA ASN 13 HA ASN 13 -14.064 9.337 -0.838 74 HB2 ASN 13 1HB ASN 13 -14.446 10.031 -3.317 75 HB3 ASN 13 2HB ASN 13 -13.433 8.639 -3.691 76 HD21 ASN 13 1HD2 ASN 13 -16.451 9.470 -3.767 77 HD22 ASN 13 2HD2 ASN 13 -17.239 8.025 -3.242 78 H PHE 14 H PHE 14 -13.763 7.291 -0.113 79 HA PHE 14 HA PHE 14 -11.418 5.792 -1.007 80 HB2 PHE 14 1HB PHE 14 -10.945 5.251 1.449 81 HB3 PHE 14 2HB PHE 14 -10.483 6.853 0.883 82 HD1 PHE 14 1HD PHE 14 -13.099 4.997 2.731 83 HD2 PHE 14 2HD PHE 14 -11.340 8.781 1.896 84 HE1 PHE 14 1HE PHE 14 -14.432 6.010 4.534 85 HE2 PHE 14 2HE PHE 14 -12.669 9.801 3.697 86 HZ PHE 14 HZ PHE 14 -14.217 8.415 5.020 87 H GLY 15 H GLY 15 -11.427 3.567 0.228 88 HA2 GLY 15 1HA GLY 15 -13.382 2.228 1.385 89 HA3 GLY 15 2HA GLY 15 -14.105 2.474 -0.198 90 H ASN 16 H ASN 16 -11.691 2.216 -1.711 91 HA ASN 16 HA ASN 16 -11.053 -0.624 -1.249 92 HB2 ASN 16 1HB ASN 16 -11.067 0.479 -4.025 93 HB3 ASN 16 2HB ASN 16 -11.379 -1.163 -3.470 94 HD21 ASN 16 1HD2 ASN 16 -13.341 -0.935 -1.697 95 HD22 ASN 16 2HD2 ASN 16 -14.758 -0.251 -2.410 96 H CYS 17 H CYS 17 -9.033 -1.304 -2.447 97 HA CYS 17 HA CYS 17 -6.798 -0.101 -1.521 98 HB2 CYS 17 1HB CYS 17 -6.938 -2.290 -2.766 99 HB3 CYS 17 2HB CYS 17 -6.918 -1.363 -4.263 100 H THR 18 H THR 18 -5.090 1.155 -2.583 101 HA THR 18 HA THR 18 -6.256 3.336 -4.169 102 HB THR 18 HB THR 18 -3.575 3.458 -2.811 103 HG1 THR 18 1HG THR 18 -6.155 3.845 -1.683 104 HG21 THR 18 1HG2 THR 18 -5.429 5.762 -3.019 105 HG22 THR 18 2HG2 THR 18 -4.703 5.182 -4.518 106 HG23 THR 18 3HG2 THR 18 -3.675 5.702 -3.183 107 H GLY 19 H GLY 19 -4.947 0.596 -4.945 108 HA2 GLY 19 1HA GLY 19 -3.306 1.761 -7.103 109 HA3 GLY 19 2HA GLY 19 -2.760 0.340 -6.226 110 H CYS 20 H CYS 20 -5.294 -0.949 -6.022 111 HA CYS 20 HA CYS 20 -5.835 -1.564 -8.853 112 HB2 CYS 20 1HB CYS 20 -6.045 -3.907 -8.296 113 HB3 CYS 20 2HB CYS 20 -4.481 -3.327 -7.733 114 H SER 21 H SER 21 -7.154 0.011 -6.503 115 HA SER 21 HA SER 21 -9.239 0.246 -5.545 116 HB2 SER 21 1HB SER 21 -9.755 -0.145 -8.494 117 HB3 SER 21 2HB SER 21 -11.024 0.336 -7.368 118 HG SER 21 HG SER 21 -8.754 1.828 -7.108 119 H ALA 22 H ALA 22 -8.479 -2.220 -4.863 120 HA ALA 22 HA ALA 22 -10.609 -4.076 -5.627 121 HB1 ALA 22 1HB ALA 22 -7.950 -4.401 -4.297 122 HB2 ALA 22 2HB ALA 22 -9.185 -5.651 -4.141 123 HB3 ALA 22 3HB ALA 22 -8.587 -5.197 -5.736 124 H THR 23 H THR 23 -12.418 -3.891 -4.477 125 HA THR 23 HA THR 23 -12.649 -2.690 -1.957 126 HB THR 23 HB THR 23 -14.554 -4.755 -3.064 127 HG1 THR 23 1HG THR 23 -13.807 -2.618 -4.308 128 HG21 THR 23 1HG2 THR 23 -14.764 -2.523 -1.068 129 HG22 THR 23 2HG2 THR 23 -15.240 -4.212 -0.896 130 HG23 THR 23 3HG2 THR 23 -16.189 -3.128 -1.913 131 H PHE 24 H PHE 24 -12.619 -3.448 0.100 132 HA PHE 24 HA PHE 24 -11.707 -6.215 0.459 133 HB2 PHE 24 1HB PHE 24 -11.628 -4.126 2.613 134 HB3 PHE 24 2HB PHE 24 -10.603 -5.542 2.406 135 HD1 PHE 24 1HD PHE 24 -8.763 -5.522 0.803 136 HD2 PHE 24 2HD PHE 24 -11.153 -2.067 1.489 137 HE1 PHE 24 1HE PHE 24 -7.059 -4.129 -0.297 138 HE2 PHE 24 2HE PHE 24 -9.453 -0.669 0.389 139 HZ PHE 24 HZ PHE 24 -7.404 -1.700 -0.506 140 H SER 25 H SER 25 -13.338 -7.563 0.853 141 HA SER 25 HA SER 25 -15.517 -6.660 2.614 142 HB2 SER 25 1HB SER 25 -15.439 -8.774 0.457 143 HB3 SER 25 2HB SER 25 -16.768 -8.633 1.608 144 HG SER 25 HG SER 25 -16.899 -7.476 -0.523 145 H VAL 26 H VAL 26 -14.305 -9.887 1.747 146 HA VAL 26 HA VAL 26 -13.823 -10.407 4.603 147 HB VAL 26 HB VAL 26 -14.629 -12.784 4.125 148 HG11 VAL 26 1HG1 VAL 26 -17.054 -12.084 4.387 149 HG12 VAL 26 2HG1 VAL 26 -15.917 -11.437 5.572 150 HG13 VAL 26 3HG1 VAL 26 -16.485 -10.421 4.246 151 HG21 VAL 26 1HG2 VAL 26 -14.664 -12.363 1.621 152 HG22 VAL 26 2HG2 VAL 26 -16.070 -13.182 2.301 153 HG23 VAL 26 3HG2 VAL 26 -16.159 -11.468 1.896 154 H LEU 27 H LEU 27 -13.055 -11.102 1.260 155 HA LEU 27 HA LEU 27 -10.973 -12.985 1.886 156 HB2 LEU 27 1HB LEU 27 -12.082 -11.739 -0.565 157 HB3 LEU 27 2HB LEU 27 -10.428 -12.341 -0.642 158 HG LEU 27 HG LEU 27 -12.156 -13.933 -1.476 159 HD11 LEU 27 1HD1 LEU 27 -10.025 -14.423 0.410 160 HD12 LEU 27 2HD1 LEU 27 -10.481 -15.323 -1.036 161 HD13 LEU 27 3HD1 LEU 27 -11.270 -15.669 0.502 162 HD21 LEU 27 1HD2 LEU 27 -12.969 -13.959 1.428 163 HD22 LEU 27 2HD2 LEU 27 -13.485 -15.142 0.226 164 HD23 LEU 27 3HD2 LEU 27 -13.953 -13.449 0.056 165 H LYS 28 H LYS 28 -10.897 -9.791 0.293 166 HA LYS 28 HA LYS 28 -8.089 -9.494 0.899 167 HB2 LYS 28 1HB LYS 28 -9.499 -8.632 -1.174 168 HB3 LYS 28 2HB LYS 28 -9.740 -7.233 -0.136 169 HG2 LYS 28 1HG LYS 28 -7.879 -6.734 -1.482 170 HG3 LYS 28 2HG LYS 28 -7.229 -7.137 0.108 171 HD2 LYS 28 1HD LYS 28 -5.833 -8.319 -1.311 172 HD3 LYS 28 2HD LYS 28 -7.031 -9.537 -0.865 173 HE2 LYS 28 1HE LYS 28 -7.484 -7.854 -3.288 174 HE3 LYS 28 2HE LYS 28 -6.337 -9.191 -3.370 175 HZ1 LYS 28 1HZ LYS 28 -8.291 -10.191 -3.992 176 HZ2 LYS 28 2HZ LYS 28 -9.246 -9.267 -2.946 177 HZ3 LYS 28 3HZ LYS 28 -8.286 -10.517 -2.332 178 H LYS 29 H LYS 29 -7.168 -8.165 2.393 179 HA LYS 29 HA LYS 29 -9.007 -6.867 4.294 180 HB2 LYS 29 1HB LYS 29 -7.089 -7.116 5.927 181 HB3 LYS 29 2HB LYS 29 -7.870 -8.612 5.432 182 HG2 LYS 29 1HG LYS 29 -5.462 -7.680 3.949 183 HG3 LYS 29 2HG LYS 29 -5.266 -8.429 5.536 184 HD2 LYS 29 1HD LYS 29 -6.952 -9.744 3.440 185 HD3 LYS 29 2HD LYS 29 -5.195 -9.912 3.405 186 HE2 LYS 29 1HE LYS 29 -6.841 -10.512 5.851 187 HE3 LYS 29 2HE LYS 29 -6.487 -11.725 4.622 188 HZ1 LYS 29 1HZ LYS 29 -4.129 -11.385 5.012 189 HZ2 LYS 29 2HZ LYS 29 -4.909 -11.824 6.447 190 HZ3 LYS 29 3HZ LYS 29 -4.464 -10.213 6.185 191 H ARG 30 H ARG 30 -8.951 -4.726 4.363 192 HA ARG 30 HA ARG 30 -7.261 -3.156 2.785 193 HB2 ARG 30 1HB ARG 30 -9.546 -2.611 3.937 194 HB3 ARG 30 2HB ARG 30 -8.534 -2.055 5.263 195 HG2 ARG 30 1HG ARG 30 -7.768 -0.254 4.111 196 HG3 ARG 30 2HG ARG 30 -7.895 -1.061 2.547 197 HD2 ARG 30 1HD ARG 30 -9.644 0.376 2.338 198 HD3 ARG 30 2HD ARG 30 -10.482 -0.952 3.139 199 HE ARG 30 HE ARG 30 -9.797 1.629 4.282 200 HH11 ARG 30 2HH1 ARG 30 -10.943 -1.616 4.808 201 HH12 ARG 30 1HH1 ARG 30 -11.679 -1.248 6.332 202 HH21 ARG 30 2HH2 ARG 30 -10.762 2.126 6.288 203 HH22 ARG 30 1HH2 ARG 30 -11.577 0.881 7.173 204 H ARG 31 H ARG 31 -5.100 -3.555 3.114 205 HA ARG 31 HA ARG 31 -3.937 -3.484 5.745 206 HB2 ARG 31 1HB ARG 31 -2.957 -3.938 2.975 207 HB3 ARG 31 2HB ARG 31 -1.786 -3.379 4.162 208 HG2 ARG 31 1HG ARG 31 -1.908 -5.308 5.397 209 HG3 ARG 31 2HG ARG 31 -3.537 -5.691 4.836 210 HD2 ARG 31 1HD ARG 31 -2.605 -6.178 2.596 211 HD3 ARG 31 2HD ARG 31 -0.988 -5.889 3.236 212 HE ARG 31 HE ARG 31 -2.643 -8.217 3.664 213 HH11 ARG 31 2HH1 ARG 31 0.086 -6.354 4.760 214 HH12 ARG 31 1HH1 ARG 31 0.823 -7.682 5.594 215 HH21 ARG 31 2HH2 ARG 31 -1.683 -9.973 4.758 216 HH22 ARG 31 1HH2 ARG 31 -0.183 -9.740 5.591 217 H SER 32 H SER 32 -1.796 -2.080 5.863 218 HA SER 32 HA SER 32 -2.413 0.647 4.949 219 HB2 SER 32 1HB SER 32 -1.663 -0.240 7.736 220 HB3 SER 32 2HB SER 32 -1.506 1.432 7.197 221 HG SER 32 HG SER 32 -3.786 1.305 6.661 222 H CYS 33 H CYS 33 -0.756 1.669 4.024 223 HA CYS 33 HA CYS 33 1.703 0.348 3.566 224 HB2 CYS 33 1HB CYS 33 0.666 2.007 2.017 225 HB3 CYS 33 2HB CYS 33 1.073 3.279 3.164 226 H SER 34 H SER 34 3.854 1.341 4.032 227 HA SER 34 HA SER 34 3.927 2.226 6.834 228 HB2 SER 34 1HB SER 34 5.852 0.673 5.124 229 HB3 SER 34 2HB SER 34 6.407 1.494 6.583 230 HG SER 34 HG SER 34 5.423 -0.856 6.524 231 H ASN 35 H ASN 35 4.851 3.069 3.593 232 HA ASN 35 HA ASN 35 6.542 5.265 4.461 233 HB2 ASN 35 1HB ASN 35 7.259 4.076 2.490 234 HB3 ASN 35 2HB ASN 35 5.694 4.314 1.719 235 HD21 ASN 35 1HD2 ASN 35 6.223 5.499 -0.007 236 HD22 ASN 35 2HD2 ASN 35 7.006 7.037 0.054 237 H CYS 36 H CYS 36 3.966 5.251 2.013 238 HA CYS 36 HA CYS 36 3.282 7.960 2.489 239 HB2 CYS 36 1HB CYS 36 1.574 7.661 0.858 240 HB3 CYS 36 2HB CYS 36 2.933 6.668 0.339 241 H GLY 37 H GLY 37 1.938 4.891 3.584 242 HA2 GLY 37 1HA GLY 37 0.690 4.507 5.508 243 HA3 GLY 37 2HA GLY 37 0.606 6.244 5.767 244 H ASN 38 H ASN 38 -0.356 4.477 2.863 245 HA ASN 38 HA ASN 38 -3.088 5.492 3.265 246 HB2 ASN 38 1HB ASN 38 -1.869 4.551 0.665 247 HB3 ASN 38 2HB ASN 38 -3.367 5.452 0.884 248 HD21 ASN 38 1HD2 ASN 38 -1.216 6.196 -0.793 249 HD22 ASN 38 2HD2 ASN 38 -0.582 7.691 -0.204 250 H SER 39 H SER 39 -4.707 4.037 1.915 251 HA SER 39 HA SER 39 -4.576 1.424 3.161 252 HB2 SER 39 1HB SER 39 -6.766 2.469 1.363 253 HB3 SER 39 2HB SER 39 -6.876 1.190 2.573 254 HG SER 39 HG SER 39 -7.095 2.641 4.094 255 H PHE 40 H PHE 40 -4.300 -0.498 2.153 256 HA PHE 40 HA PHE 40 -4.380 -0.693 -0.734 257 HB2 PHE 40 1HB PHE 40 -1.817 -1.116 0.813 258 HB3 PHE 40 2HB PHE 40 -2.064 -1.647 -0.848 259 HD1 PHE 40 1HD PHE 40 -2.641 0.129 -2.584 260 HD2 PHE 40 2HD PHE 40 -1.082 1.040 1.271 261 HE1 PHE 40 1HE PHE 40 -1.928 2.339 -3.398 262 HE2 PHE 40 2HE PHE 40 -0.368 3.252 0.463 263 HZ PHE 40 HZ PHE 40 -0.791 3.904 -1.874 264 H CYS 41 H CYS 41 -3.907 -2.975 -1.451 265 HA CYS 41 HA CYS 41 -5.235 -4.798 0.391 266 HB2 CYS 41 1HB CYS 41 -5.431 -6.287 -1.548 267 HB3 CYS 41 2HB CYS 41 -6.036 -4.677 -1.925 268 H SER 42 H SER 42 -4.366 -7.219 -0.062 269 HA SER 42 HA SER 42 -1.747 -7.243 1.139 270 HB2 SER 42 1HB SER 42 -3.427 -8.806 1.947 271 HB3 SER 42 2HB SER 42 -3.597 -9.501 0.335 272 HG SER 42 HG SER 42 -1.750 -10.022 2.260 273 H ARG 43 H ARG 43 -2.658 -6.854 -1.940 274 HA ARG 43 HA ARG 43 -0.507 -8.525 -3.051 275 HB2 ARG 43 1HB ARG 43 -3.088 -7.514 -4.126 276 HB3 ARG 43 2HB ARG 43 -1.746 -7.651 -5.254 277 HG2 ARG 43 1HG ARG 43 -2.974 -9.666 -5.391 278 HG3 ARG 43 2HG ARG 43 -1.490 -10.032 -4.508 279 HD2 ARG 43 1HD ARG 43 -2.733 -9.823 -2.390 280 HD3 ARG 43 2HD ARG 43 -4.211 -9.532 -3.307 281 HE ARG 43 HE ARG 43 -3.310 -11.899 -4.278 282 HH11 ARG 43 2HH1 ARG 43 -3.985 -10.697 -1.081 283 HH12 ARG 43 1HH1 ARG 43 -4.426 -12.249 -0.449 284 HH21 ARG 43 2HH2 ARG 43 -3.889 -13.947 -3.458 285 HH22 ARG 43 1HH2 ARG 43 -4.370 -14.097 -1.802 286 H CYS 44 H CYS 44 -1.618 -5.263 -2.605 287 HA CYS 44 HA CYS 44 0.495 -4.194 -4.317 288 HB2 CYS 44 1HB CYS 44 -1.802 -2.883 -2.856 289 HB3 CYS 44 2HB CYS 44 -0.570 -1.978 -3.730 290 H CYS 45 H CYS 45 -0.440 -4.431 -0.947 291 HA CYS 45 HA CYS 45 1.872 -2.847 -0.122 292 HB2 CYS 45 1HB CYS 45 -0.368 -2.487 0.942 293 HB3 CYS 45 2HB CYS 45 -0.260 -4.112 1.608 294 HG CYS 45 HG CYS 45 2.478 -2.505 2.398 295 H SER 46 H SER 46 2.360 -5.355 -1.383 296 HA SER 46 HA SER 46 3.376 -6.965 0.864 297 HB2 SER 46 1HB SER 46 3.143 -8.898 -0.424 298 HB3 SER 46 2HB SER 46 1.735 -7.952 -0.906 299 HG SER 46 HG SER 46 3.243 -7.154 -2.638 300 H PHE 47 H PHE 47 4.701 -4.618 -0.103 301 HA PHE 47 HA PHE 47 7.087 -5.789 -1.372 302 HB2 PHE 47 1HB PHE 47 6.019 -2.965 -1.411 303 HB3 PHE 47 2HB PHE 47 7.635 -3.388 -1.966 304 HD1 PHE 47 2HD PHE 47 7.907 -4.890 -3.925 305 HD2 PHE 47 1HD PHE 47 4.115 -3.353 -2.750 306 HE1 PHE 47 2HE PHE 47 7.000 -5.438 -6.146 307 HE2 PHE 47 1HE PHE 47 3.202 -3.900 -4.969 308 HZ PHE 47 HZ PHE 47 4.646 -4.942 -6.671 309 H LYS 48 H LYS 48 8.712 -6.136 -0.026 310 HA LYS 48 HA LYS 48 8.823 -4.793 2.540 311 HB2 LYS 48 1HB LYS 48 10.444 -7.001 1.280 312 HB3 LYS 48 2HB LYS 48 10.875 -6.288 2.829 313 HG2 LYS 48 1HG LYS 48 8.819 -7.016 3.811 314 HG3 LYS 48 2HG LYS 48 8.211 -7.560 2.245 315 HD2 LYS 48 1HD LYS 48 8.937 -9.551 3.117 316 HD3 LYS 48 2HD LYS 48 10.399 -9.025 2.278 317 HE2 LYS 48 1HE LYS 48 10.017 -8.176 5.102 318 HE3 LYS 48 2HE LYS 48 10.446 -9.858 4.793 319 HZ1 LYS 48 1HZ LYS 48 12.054 -8.051 3.279 320 HZ2 LYS 48 2HZ LYS 48 12.528 -9.285 4.334 321 HZ3 LYS 48 3HZ LYS 48 12.175 -7.745 4.939 322 H VAL 49 H VAL 49 10.040 -3.081 3.003 323 HA VAL 49 HA VAL 49 12.425 -2.517 1.408 324 HB VAL 49 HB VAL 49 11.803 -0.126 1.202 325 HG11 VAL 49 1HG1 VAL 49 9.621 -1.672 -0.123 326 HG12 VAL 49 2HG1 VAL 49 10.665 -0.409 -0.779 327 HG13 VAL 49 3HG1 VAL 49 11.302 -2.033 -0.516 328 HG21 VAL 49 1HG2 VAL 49 9.874 -0.697 3.054 329 HG22 VAL 49 2HG2 VAL 49 9.933 0.762 2.064 330 HG23 VAL 49 3HG2 VAL 49 8.940 -0.606 1.561 331 HA PRO 50 HA PRO 50 14.181 -1.392 5.274 332 HB2 PRO 50 1HB PRO 50 16.038 0.422 4.479 333 HB3 PRO 50 2HB PRO 50 16.204 -1.313 4.188 334 HG2 PRO 50 1HG PRO 50 15.270 0.838 2.328 335 HG3 PRO 50 2HG PRO 50 16.365 -0.520 2.008 336 HD2 PRO 50 1HD PRO 50 13.756 -0.552 1.285 337 HD3 PRO 50 2HD PRO 50 14.634 -2.021 1.757 338 H LYS 51 H LYS 51 13.494 -0.102 6.857 339 HA LYS 51 HA LYS 51 12.093 2.350 6.216 340 HB2 LYS 51 1HB LYS 51 11.479 2.380 8.577 341 HB3 LYS 51 2HB LYS 51 11.165 0.797 7.879 342 HG2 LYS 51 1HG LYS 51 13.475 0.161 8.811 343 HG3 LYS 51 2HG LYS 51 13.310 1.615 9.799 344 HD2 LYS 51 1HD LYS 51 11.352 -0.682 9.710 345 HD3 LYS 51 2HD LYS 51 12.538 -0.392 10.985 346 HE2 LYS 51 1HE LYS 51 11.354 1.322 11.883 347 HE3 LYS 51 2HE LYS 51 10.727 1.850 10.322 348 HZ1 LYS 51 1HZ LYS 51 9.629 -0.066 12.210 349 HZ2 LYS 51 2HZ LYS 51 9.490 -0.485 10.578 350 HZ3 LYS 51 3HZ LYS 51 8.836 0.972 11.135 351 H SER 52 H SER 52 15.014 1.366 7.943 352 HA SER 52 HA SER 52 15.882 3.521 9.246 353 HB2 SER 52 1HB SER 52 17.292 1.558 8.965 354 HB3 SER 52 2HB SER 52 17.531 1.939 7.260 355 HG SER 52 HG SER 52 18.584 3.194 9.535 356 H SER 53 H SER 53 16.711 3.187 5.792 357 HA SER 53 HA SER 53 17.390 5.930 5.519 358 HB2 SER 53 1HB SER 53 18.249 4.020 4.090 359 HB3 SER 53 2HB SER 53 16.687 4.034 3.273 360 HG SER 53 HG SER 53 17.407 6.498 3.220 361 H MET 54 H MET 54 14.482 4.060 4.887 362 HA MET 54 HA MET 54 13.130 6.365 3.736 363 HB2 MET 54 1HB MET 54 12.720 4.207 2.705 364 HB3 MET 54 2HB MET 54 12.195 3.536 4.244 365 HG2 MET 54 1HG MET 54 10.430 5.467 4.130 366 HG3 MET 54 2HG MET 54 10.784 5.399 2.405 367 HE1 MET 54 1HE MET 54 9.838 1.761 4.852 368 HE2 MET 54 2HE MET 54 10.402 3.330 5.426 369 HE3 MET 54 3HE MET 54 8.672 3.016 5.273 370 H GLY 55 H GLY 55 13.165 7.719 5.608 371 HA2 GLY 55 1HA GLY 55 11.214 8.452 7.015 372 HA3 GLY 55 2HA GLY 55 11.303 6.850 7.731 373 H ALA 56 H ALA 56 12.025 7.043 9.743 374 HA ALA 56 HA ALA 56 14.171 8.976 10.295 375 HB1 ALA 56 1HB ALA 56 12.804 7.664 12.554 376 HB2 ALA 56 2HB ALA 56 13.276 9.349 12.333 377 HB3 ALA 56 3HB ALA 56 11.811 8.736 11.566 378 H THR 57 H THR 57 15.919 8.353 11.677 379 HA THR 57 HA THR 57 16.779 5.626 11.189 380 HB THR 57 HB THR 57 18.923 6.383 12.240 381 HG1 THR 57 1HG THR 57 19.110 8.406 12.990 382 HG21 THR 57 1HG2 THR 57 19.659 7.277 10.281 383 HG22 THR 57 2HG2 THR 57 18.331 8.434 10.184 384 HG23 THR 57 3HG2 THR 57 18.069 6.750 9.731 385 H ALA 58 H ALA 58 17.778 4.345 12.928 386 HA ALA 58 HA ALA 58 17.222 4.895 15.661 387 HB1 ALA 58 1HB ALA 58 15.069 3.809 14.197 388 HB2 ALA 58 2HB ALA 58 15.693 2.524 15.232 389 HB3 ALA 58 3HB ALA 58 15.188 4.058 15.940 390 HA PRO 59 HA PRO 59 20.150 1.703 16.369 391 HB2 PRO 59 1HB PRO 59 19.190 0.380 18.537 392 HB3 PRO 59 2HB PRO 59 19.864 2.011 18.628 393 HG2 PRO 59 1HG PRO 59 17.000 1.149 18.517 394 HG3 PRO 59 2HG PRO 59 17.755 2.393 19.530 395 HD2 PRO 59 1HD PRO 59 16.367 2.989 17.283 396 HD3 PRO 59 2HD PRO 59 17.750 3.954 17.834 397 H GLU 60 H GLU 60 16.846 0.738 15.892 398 HA GLU 60 HA GLU 60 17.723 -1.991 15.220 399 HB2 GLU 60 1HB GLU 60 14.925 -1.020 15.823 400 HB3 GLU 60 2HB GLU 60 15.409 -2.685 15.533 401 HG2 GLU 60 1HG GLU 60 16.718 -2.704 17.555 402 HG3 GLU 60 2HG GLU 60 16.377 -0.996 17.827 403 H ALA 61 H ALA 61 16.246 0.905 14.018 404 HA ALA 61 HA ALA 61 14.965 -0.018 11.730 405 HB1 ALA 61 1HB ALA 61 14.592 2.148 11.406 406 HB2 ALA 61 2HB ALA 61 15.586 2.466 12.829 407 HB3 ALA 61 3HB ALA 61 16.315 2.480 11.223 408 H GLN 62 H GLN 62 18.375 0.648 12.305 409 HA GLN 62 HA GLN 62 19.496 0.740 9.857 410 HB2 GLN 62 1HB GLN 62 20.391 -0.818 12.275 411 HB3 GLN 62 2HB GLN 62 21.378 -0.694 10.825 412 HG2 GLN 62 1HG GLN 62 21.337 1.766 11.056 413 HG3 GLN 62 2HG GLN 62 20.453 1.576 12.569 414 HE21 GLN 62 1HE2 GLN 62 21.700 1.817 14.265 415 HE22 GLN 62 2HE2 GLN 62 23.350 1.324 14.405 416 H ARG 63 H ARG 63 18.601 -2.294 11.496 417 HA ARG 63 HA ARG 63 18.630 -3.611 8.860 418 HB2 ARG 63 1HB ARG 63 19.097 -5.714 10.043 419 HB3 ARG 63 2HB ARG 63 20.345 -4.512 10.339 420 HG2 ARG 63 1HG ARG 63 19.809 -4.289 12.540 421 HG3 ARG 63 2HG ARG 63 18.110 -4.689 12.279 422 HD2 ARG 63 1HD ARG 63 19.132 -6.484 13.494 423 HD3 ARG 63 2HD ARG 63 18.792 -7.042 11.856 424 HE ARG 63 HE ARG 63 21.456 -6.015 12.218 425 HH11 ARG 63 2HH1 ARG 63 19.401 -8.817 12.424 426 HH12 ARG 63 1HH1 ARG 63 20.704 -9.946 12.260 427 HH21 ARG 63 2HH2 ARG 63 23.180 -7.492 12.000 428 HH22 ARG 63 1HH2 ARG 63 22.854 -9.192 12.020 429 H GLU 64 H GLU 64 16.373 -2.403 9.152 430 HA GLU 64 HA GLU 64 14.489 -4.396 10.233 431 HB2 GLU 64 1HB GLU 64 14.674 -1.925 11.197 432 HB3 GLU 64 2HB GLU 64 13.635 -1.570 9.823 433 HG2 GLU 64 1HG GLU 64 12.528 -2.069 12.065 434 HG3 GLU 64 2HG GLU 64 11.900 -2.886 10.634 435 H THR 65 H THR 65 12.354 -4.409 9.122 436 HA THR 65 HA THR 65 12.461 -3.575 6.318 437 HB THR 65 HB THR 65 11.618 -5.794 5.577 438 HG1 THR 65 1HG THR 65 11.699 -6.242 8.286 439 HG21 THR 65 1HG2 THR 65 14.253 -6.151 6.983 440 HG22 THR 65 2HG2 THR 65 14.079 -5.091 5.584 441 HG23 THR 65 3HG2 THR 65 13.733 -6.814 5.434 442 H VAL 66 H VAL 66 10.622 -2.626 5.749 443 HA VAL 66 HA VAL 66 8.169 -3.314 7.234 444 HB VAL 66 HB VAL 66 7.402 -0.988 6.805 445 HG11 VAL 66 1HG1 VAL 66 8.421 -0.120 8.685 446 HG12 VAL 66 2HG1 VAL 66 8.713 -1.849 8.885 447 HG13 VAL 66 3HG1 VAL 66 9.995 -0.801 8.275 448 HG21 VAL 66 1HG2 VAL 66 10.039 0.126 6.371 449 HG22 VAL 66 2HG2 VAL 66 9.542 -0.917 5.038 450 HG23 VAL 66 3HG2 VAL 66 8.527 0.443 5.519 451 H PHE 67 H PHE 67 6.149 -2.919 6.035 452 HA PHE 67 HA PHE 67 6.472 -3.723 3.238 453 HB2 PHE 67 1HB PHE 67 4.349 -4.092 5.295 454 HB3 PHE 67 2HB PHE 67 3.851 -4.027 3.608 455 HD1 PHE 67 2HD PHE 67 5.642 -5.474 2.075 456 HD2 PHE 67 1HD PHE 67 4.527 -6.214 6.115 457 HE1 PHE 67 2HE PHE 67 6.250 -7.842 1.805 458 HE2 PHE 67 1HE PHE 67 5.135 -8.584 5.853 459 HZ PHE 67 HZ PHE 67 5.996 -9.401 3.695 460 H VAL 68 H VAL 68 5.822 -2.495 1.564 461 HA VAL 68 HA VAL 68 4.321 -0.031 2.152 462 HB VAL 68 HB VAL 68 5.664 1.221 0.580 463 HG11 VAL 68 1HG1 VAL 68 7.273 -0.260 2.651 464 HG12 VAL 68 2HG1 VAL 68 7.870 1.148 1.771 465 HG13 VAL 68 3HG1 VAL 68 6.462 1.296 2.824 466 HG21 VAL 68 1HG2 VAL 68 7.880 -0.040 -0.125 467 HG22 VAL 68 2HG2 VAL 68 6.831 -1.453 0.007 468 HG23 VAL 68 3HG2 VAL 68 6.410 -0.142 -1.095 469 H CYS 69 H CYS 69 3.501 0.981 0.038 470 HA CYS 69 HA CYS 69 2.129 -1.122 -1.437 471 HB2 CYS 69 1HB CYS 69 0.615 0.573 -2.170 472 HB3 CYS 69 2HB CYS 69 0.919 0.866 -0.461 473 H ALA 70 H ALA 70 2.165 -1.338 -3.674 474 HA ALA 70 HA ALA 70 4.480 -1.248 -5.039 475 HB1 ALA 70 1HB ALA 70 3.276 -1.475 -7.053 476 HB2 ALA 70 2HB ALA 70 2.253 -2.186 -5.804 477 HB3 ALA 70 3HB ALA 70 1.898 -0.573 -6.422 478 H SER 71 H SER 71 2.016 1.310 -5.419 479 HA SER 71 HA SER 71 3.296 3.087 -6.987 480 HB2 SER 71 1HB SER 71 1.731 3.766 -4.485 481 HB3 SER 71 2HB SER 71 2.109 4.902 -5.780 482 HG SER 71 HG SER 71 0.112 4.132 -6.248 483 H CYS 72 H CYS 72 4.003 2.455 -3.607 484 HA CYS 72 HA CYS 72 5.973 4.582 -3.480 485 HB2 CYS 72 1HB CYS 72 5.111 2.483 -1.483 486 HB3 CYS 72 2HB CYS 72 6.359 3.683 -1.161 487 H ASN 73 H ASN 73 6.053 1.054 -2.941 488 HA ASN 73 HA ASN 73 8.707 0.589 -2.752 489 HB2 ASN 73 1HB ASN 73 7.082 -1.214 -2.644 490 HB3 ASN 73 2HB ASN 73 6.716 -1.029 -4.357 491 HD21 ASN 73 1HD2 ASN 73 8.146 -1.804 -5.882 492 HD22 ASN 73 2HD2 ASN 73 9.445 -2.871 -5.482 493 H GLN 74 H GLN 74 6.939 1.264 -5.729 494 HA GLN 74 HA GLN 74 9.088 0.778 -7.504 495 HB2 GLN 74 1HB GLN 74 6.520 2.323 -7.723 496 HB3 GLN 74 2HB GLN 74 7.694 2.329 -9.032 497 HG2 GLN 74 1HG GLN 74 6.489 -0.167 -7.865 498 HG3 GLN 74 2HG GLN 74 5.861 0.668 -9.285 499 HE21 GLN 74 1HE2 GLN 74 8.426 -1.280 -8.001 500 HE22 GLN 74 2HE2 GLN 74 9.161 -1.676 -9.514 501 H THR 75 H THR 75 7.947 3.674 -5.838 502 HA THR 75 HA THR 75 9.778 5.449 -7.117 503 HB THR 75 HB THR 75 8.276 5.794 -4.513 504 HG1 THR 75 1HG THR 75 6.819 5.601 -6.193 505 HG21 THR 75 1HG2 THR 75 8.825 8.234 -5.902 506 HG22 THR 75 2HG2 THR 75 10.335 7.357 -5.652 507 HG23 THR 75 3HG2 THR 75 9.307 7.753 -4.275 508 H LEU 76 H LEU 76 9.751 3.747 -4.008 509 HA LEU 76 HA LEU 76 12.089 4.874 -2.947 510 HB2 LEU 76 1HB LEU 76 10.952 2.118 -2.493 511 HB3 LEU 76 2HB LEU 76 12.149 2.918 -1.475 512 HG LEU 76 HG LEU 76 9.366 3.989 -1.905 513 HD11 LEU 76 1HD1 LEU 76 10.349 2.351 0.424 514 HD12 LEU 76 2HD1 LEU 76 9.343 1.722 -0.880 515 HD13 LEU 76 3HD1 LEU 76 8.725 2.993 0.174 516 HD21 LEU 76 1HD2 LEU 76 10.370 5.770 -0.981 517 HD22 LEU 76 2HD2 LEU 76 11.746 4.827 -0.410 518 HD23 LEU 76 3HD2 LEU 76 10.245 4.849 0.518 519 H SER 77 H SER 77 11.619 1.856 -4.773 520 HA SER 77 HA SER 77 14.484 1.441 -4.948 521 HB2 SER 77 1HB SER 77 12.806 -0.435 -4.650 522 HB3 SER 77 2HB SER 77 12.314 -0.154 -6.320 523 HG SER 77 HG SER 77 14.046 -1.795 -5.814 524 H LYS 78 H LYS 78 13.811 3.830 -6.112 525 HA LYS 78 HA LYS 78 13.814 3.328 -9.004 526 HB2 LYS 78 1HB LYS 78 12.246 5.025 -7.776 527 HB3 LYS 78 2HB LYS 78 13.666 6.061 -7.782 528 HG2 LYS 78 1HG LYS 78 13.778 5.780 -10.254 529 HG3 LYS 78 2HG LYS 78 12.243 4.912 -10.171 530 HD2 LYS 78 1HD LYS 78 11.260 6.931 -9.063 531 HD3 LYS 78 2HD LYS 78 12.771 7.779 -9.400 532 HE2 LYS 78 1HE LYS 78 11.154 6.440 -11.552 533 HE3 LYS 78 2HE LYS 78 10.869 8.108 -11.057 534 HZ1 LYS 78 1HZ LYS 78 13.546 7.169 -11.890 535 HZ2 LYS 78 2HZ LYS 78 12.972 8.757 -11.795 536 HZ3 LYS 78 3HZ LYS 78 12.412 7.727 -13.014 537 H SER 79 H SER 79 15.552 5.205 -6.532 538 HA SER 79 HA SER 79 17.582 6.188 -8.181 539 HB2 SER 79 1HB SER 79 17.024 6.834 -5.759 540 HB3 SER 79 2HB SER 79 18.010 5.450 -5.288 541 HG SER 79 HG SER 79 19.140 7.183 -7.131 542 H GLY 80 H GLY 80 19.256 5.257 -9.158 543 HA2 GLY 80 1HA GLY 80 20.195 2.650 -8.139 544 HA3 GLY 80 2HA GLY 80 19.909 2.907 -9.854 545 HA PRO 81 HA PRO 81 24.358 3.673 -9.460 546 HB2 PRO 81 1HB PRO 81 24.890 3.149 -12.071 547 HB3 PRO 81 2HB PRO 81 24.711 1.880 -10.853 548 HG2 PRO 81 1HG PRO 81 22.722 2.876 -12.856 549 HG3 PRO 81 2HG PRO 81 23.090 1.209 -12.379 550 HD2 PRO 81 1HD PRO 81 20.941 2.555 -11.429 551 HD3 PRO 81 2HD PRO 81 21.807 1.338 -10.469 552 H SER 82 H SER 82 21.865 5.377 -10.770 553 HA SER 82 HA SER 82 22.609 7.067 -12.687 554 HB2 SER 82 1HB SER 82 21.317 8.824 -11.646 555 HB3 SER 82 2HB SER 82 20.541 7.281 -11.292 556 HG SER 82 HG SER 82 20.992 8.948 -9.519 557 H SER 83 H SER 83 23.764 7.312 -9.340 558 HA SER 83 HA SER 83 25.618 8.279 -8.440 559 HB2 SER 83 1HB SER 83 26.587 8.459 -11.303 560 HB3 SER 83 2HB SER 83 27.582 8.619 -9.855 561 HG SER 83 HG SER 83 26.772 6.420 -9.351 562 H GLY 84 H GLY 84 23.437 9.903 -8.786 563 HA2 GLY 84 1HA GLY 84 24.701 12.483 -9.483 564 HA3 GLY 84 2HA GLY 84 23.023 12.130 -9.870 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.876 2.497 -37.026 2 HA2 GLY 1 1HA GLY 1 0.595 0.577 -35.674 3 HA3 GLY 1 2HA GLY 1 2.336 0.512 -35.447 4 H SER 2 H SER 2 -0.640 2.051 -34.428 5 HA SER 2 HA SER 2 0.715 2.858 -31.945 6 HB2 SER 2 1HB SER 2 0.076 4.738 -33.695 7 HB3 SER 2 2HB SER 2 -1.528 4.537 -32.990 8 HG SER 2 HG SER 2 -0.800 5.246 -31.081 9 H SER 3 H SER 3 -0.124 1.692 -30.356 10 HA SER 3 HA SER 3 -2.859 0.704 -30.549 11 HB2 SER 3 1HB SER 3 -0.701 0.133 -28.503 12 HB3 SER 3 2HB SER 3 -2.270 -0.668 -28.584 13 HG SER 3 HG SER 3 -1.332 -1.991 -29.908 14 H GLY 4 H GLY 4 -4.158 0.708 -28.464 15 HA2 GLY 4 1HA GLY 4 -4.714 3.360 -27.722 16 HA3 GLY 4 2HA GLY 4 -5.331 1.926 -26.914 17 H SER 5 H SER 5 -5.101 3.457 -25.045 18 HA SER 5 HA SER 5 -2.551 2.925 -23.736 19 HB2 SER 5 1HB SER 5 -2.416 5.202 -24.836 20 HB3 SER 5 2HB SER 5 -3.703 5.720 -23.748 21 HG SER 5 HG SER 5 -1.603 6.190 -22.934 22 H SER 6 H SER 6 -3.183 1.833 -21.998 23 HA SER 6 HA SER 6 -5.723 1.949 -20.824 24 HB2 SER 6 1HB SER 6 -4.353 0.009 -20.469 25 HB3 SER 6 2HB SER 6 -3.076 0.976 -19.732 26 HG SER 6 HG SER 6 -4.700 -0.241 -18.346 27 H GLY 7 H GLY 7 -6.640 3.414 -19.553 28 HA2 GLY 7 1HA GLY 7 -5.968 4.572 -17.290 29 HA3 GLY 7 2HA GLY 7 -4.964 5.511 -18.384 30 H ARG 8 H ARG 8 -6.031 7.440 -17.924 31 HA ARG 8 HA ARG 8 -7.735 8.982 -17.919 32 HB2 ARG 8 1HB ARG 8 -6.966 8.373 -20.427 33 HB3 ARG 8 2HB ARG 8 -8.673 7.967 -20.540 34 HG2 ARG 8 1HG ARG 8 -7.961 10.579 -19.334 35 HG3 ARG 8 2HG ARG 8 -7.757 10.389 -21.076 36 HD2 ARG 8 1HD ARG 8 -10.025 10.004 -21.424 37 HD3 ARG 8 2HD ARG 8 -10.306 9.564 -19.740 38 HE ARG 8 HE ARG 8 -9.475 12.244 -19.866 39 HH11 ARG 8 2HH1 ARG 8 -12.194 10.234 -20.692 40 HH12 ARG 8 1HH1 ARG 8 -13.355 11.507 -20.518 41 HH21 ARG 8 2HH2 ARG 8 -10.994 13.930 -19.633 42 HH22 ARG 8 1HH2 ARG 8 -12.672 13.610 -19.916 43 H TYR 9 H TYR 9 -8.645 7.117 -16.323 44 HA TYR 9 HA TYR 9 -11.458 6.825 -17.103 45 HB2 TYR 9 1HB TYR 9 -11.593 4.577 -16.468 46 HB3 TYR 9 2HB TYR 9 -10.068 4.661 -17.343 47 HD1 TYR 9 1HD TYR 9 -7.921 4.850 -15.990 48 HD2 TYR 9 2HD TYR 9 -11.662 3.809 -14.251 49 HE1 TYR 9 1HE TYR 9 -6.747 3.904 -14.047 50 HE2 TYR 9 2HE TYR 9 -10.499 2.861 -12.302 51 HH TYR 9 HH TYR 9 -8.251 3.182 -11.164 52 HA PRO 10 HA PRO 10 -12.356 8.451 -13.124 53 HB2 PRO 10 1HB PRO 10 -14.740 7.258 -12.608 54 HB3 PRO 10 2HB PRO 10 -14.551 8.551 -13.799 55 HG2 PRO 10 1HG PRO 10 -14.692 5.591 -14.223 56 HG3 PRO 10 2HG PRO 10 -15.469 6.891 -15.145 57 HD2 PRO 10 1HD PRO 10 -13.216 5.651 -15.992 58 HD3 PRO 10 2HD PRO 10 -13.554 7.358 -16.341 59 H THR 11 H THR 11 -11.216 7.866 -11.388 60 HA THR 11 HA THR 11 -11.323 5.077 -10.473 61 HB THR 11 HB THR 11 -9.394 7.244 -9.621 62 HG1 THR 11 1HG THR 11 -7.979 5.740 -10.974 63 HG21 THR 11 1HG2 THR 11 -9.781 4.391 -8.907 64 HG22 THR 11 2HG2 THR 11 -9.180 5.731 -7.931 65 HG23 THR 11 3HG2 THR 11 -8.122 4.953 -9.108 66 H ASN 12 H ASN 12 -12.360 4.543 -8.661 67 HA ASN 12 HA ASN 12 -14.110 6.149 -7.310 68 HB2 ASN 12 1HB ASN 12 -14.397 3.901 -6.846 69 HB3 ASN 12 2HB ASN 12 -12.679 3.630 -6.568 70 HD21 ASN 12 1HD2 ASN 12 -15.523 5.226 -5.217 71 HD22 ASN 12 2HD2 ASN 12 -15.054 5.050 -3.563 72 H ASN 13 H ASN 13 -14.101 7.279 -5.346 73 HA ASN 13 HA ASN 13 -11.688 8.712 -4.810 74 HB2 ASN 13 1HB ASN 13 -14.231 9.423 -4.584 75 HB3 ASN 13 2HB ASN 13 -14.015 8.828 -2.941 76 HD21 ASN 13 1HD2 ASN 13 -14.239 10.848 -2.028 77 HD22 ASN 13 2HD2 ASN 13 -13.029 12.073 -2.170 78 H PHE 14 H PHE 14 -13.674 6.461 -2.894 79 HA PHE 14 HA PHE 14 -11.320 5.419 -1.597 80 HB2 PHE 14 1HB PHE 14 -11.957 5.967 0.671 81 HB3 PHE 14 2HB PHE 14 -11.837 7.455 -0.261 82 HD1 PHE 14 1HD PHE 14 -14.227 4.999 1.128 83 HD2 PHE 14 2HD PHE 14 -13.670 8.904 -0.470 84 HE1 PHE 14 1HE PHE 14 -16.515 5.599 1.805 85 HE2 PHE 14 2HE PHE 14 -15.956 9.511 0.205 86 HZ PHE 14 HZ PHE 14 -17.382 7.857 1.345 87 H GLY 15 H GLY 15 -12.010 3.742 0.120 88 HA2 GLY 15 1HA GLY 15 -13.776 2.241 0.853 89 HA3 GLY 15 2HA GLY 15 -14.523 2.445 -0.725 90 H ASN 16 H ASN 16 -11.728 2.255 -1.923 91 HA ASN 16 HA ASN 16 -11.236 -0.609 -1.529 92 HB2 ASN 16 1HB ASN 16 -11.183 0.459 -4.319 93 HB3 ASN 16 2HB ASN 16 -11.485 -1.181 -3.754 94 HD21 ASN 16 1HD2 ASN 16 -13.494 -0.941 -2.021 95 HD22 ASN 16 2HD2 ASN 16 -14.903 -0.295 -2.785 96 H CYS 17 H CYS 17 -9.177 -1.300 -2.642 97 HA CYS 17 HA CYS 17 -6.976 -0.076 -1.675 98 HB2 CYS 17 1HB CYS 17 -7.071 -2.278 -2.903 99 HB3 CYS 17 2HB CYS 17 -7.012 -1.365 -4.408 100 H THR 18 H THR 18 -5.231 1.156 -2.730 101 HA THR 18 HA THR 18 -6.363 3.407 -4.212 102 HB THR 18 HB THR 18 -3.629 3.150 -2.943 103 HG1 THR 18 1HG THR 18 -6.125 3.855 -1.946 104 HG21 THR 18 1HG2 THR 18 -5.118 5.500 -4.113 105 HG22 THR 18 2HG2 THR 18 -3.597 4.808 -4.678 106 HG23 THR 18 3HG2 THR 18 -3.665 5.644 -3.127 107 H GLY 19 H GLY 19 -4.693 0.572 -4.839 108 HA2 GLY 19 1HA GLY 19 -3.401 1.706 -7.235 109 HA3 GLY 19 2HA GLY 19 -2.942 0.195 -6.465 110 H CYS 20 H CYS 20 -4.893 -1.409 -6.344 111 HA CYS 20 HA CYS 20 -5.862 -1.672 -9.086 112 HB2 CYS 20 1HB CYS 20 -6.396 -3.997 -8.437 113 HB3 CYS 20 2HB CYS 20 -4.705 -3.598 -8.153 114 H SER 21 H SER 21 -6.959 -0.509 -6.163 115 HA SER 21 HA SER 21 -9.001 0.033 -5.318 116 HB2 SER 21 1HB SER 21 -9.380 0.079 -8.270 117 HB3 SER 21 2HB SER 21 -10.831 0.141 -7.269 118 HG SER 21 HG SER 21 -8.870 2.034 -7.658 119 H ALA 22 H ALA 22 -8.385 -2.586 -4.930 120 HA ALA 22 HA ALA 22 -10.722 -4.167 -5.688 121 HB1 ALA 22 1HB ALA 22 -9.192 -5.828 -4.166 122 HB2 ALA 22 2HB ALA 22 -9.069 -5.662 -5.918 123 HB3 ALA 22 3HB ALA 22 -7.975 -4.762 -4.868 124 H THR 23 H THR 23 -12.433 -3.694 -4.431 125 HA THR 23 HA THR 23 -12.665 -2.653 -1.976 126 HB THR 23 HB THR 23 -14.314 -5.085 -2.620 127 HG1 THR 23 1HG THR 23 -15.572 -3.151 -3.705 128 HG21 THR 23 1HG2 THR 23 -14.443 -3.296 -0.563 129 HG22 THR 23 2HG2 THR 23 -15.806 -4.243 -1.159 130 HG23 THR 23 3HG2 THR 23 -15.568 -2.589 -1.722 131 H PHE 24 H PHE 24 -12.677 -3.325 0.173 132 HA PHE 24 HA PHE 24 -11.043 -5.699 0.696 133 HB2 PHE 24 1HB PHE 24 -11.776 -3.436 2.565 134 HB3 PHE 24 2HB PHE 24 -10.617 -4.721 2.888 135 HD1 PHE 24 1HD PHE 24 -8.437 -4.728 1.832 136 HD2 PHE 24 2HD PHE 24 -11.233 -1.604 1.097 137 HE1 PHE 24 1HE PHE 24 -6.640 -3.352 0.867 138 HE2 PHE 24 2HE PHE 24 -9.441 -0.223 0.129 139 HZ PHE 24 HZ PHE 24 -7.141 -1.097 0.013 140 H SER 25 H SER 25 -13.310 -6.697 0.050 141 HA SER 25 HA SER 25 -14.844 -7.099 2.534 142 HB2 SER 25 1HB SER 25 -16.730 -7.781 1.048 143 HB3 SER 25 2HB SER 25 -16.233 -6.105 0.814 144 HG SER 25 HG SER 25 -16.260 -8.140 -0.957 145 H VAL 26 H VAL 26 -13.672 -8.733 -0.395 146 HA VAL 26 HA VAL 26 -14.321 -11.352 0.405 147 HB VAL 26 HB VAL 26 -13.799 -10.840 -1.913 148 HG11 VAL 26 1HG1 VAL 26 -11.798 -10.020 -2.689 149 HG12 VAL 26 2HG1 VAL 26 -11.900 -9.213 -1.123 150 HG13 VAL 26 3HG1 VAL 26 -10.885 -10.643 -1.316 151 HG21 VAL 26 1HG2 VAL 26 -11.618 -12.611 -1.778 152 HG22 VAL 26 2HG2 VAL 26 -12.668 -13.005 -0.416 153 HG23 VAL 26 3HG2 VAL 26 -13.314 -13.004 -2.057 154 H LEU 27 H LEU 27 -13.662 -11.307 2.659 155 HA LEU 27 HA LEU 27 -12.160 -11.478 4.407 156 HB2 LEU 27 1HB LEU 27 -10.894 -13.517 2.602 157 HB3 LEU 27 2HB LEU 27 -11.043 -13.552 4.357 158 HG LEU 27 HG LEU 27 -13.634 -13.602 3.738 159 HD11 LEU 27 1HD1 LEU 27 -12.244 -14.200 1.246 160 HD12 LEU 27 2HD1 LEU 27 -13.932 -13.780 1.533 161 HD13 LEU 27 3HD1 LEU 27 -13.394 -15.448 1.728 162 HD21 LEU 27 1HD2 LEU 27 -12.984 -16.263 3.466 163 HD22 LEU 27 2HD2 LEU 27 -13.212 -15.401 4.988 164 HD23 LEU 27 3HD2 LEU 27 -11.592 -15.592 4.315 165 H LYS 28 H LYS 28 -11.363 -9.295 3.064 166 HA LYS 28 HA LYS 28 -8.431 -9.554 3.069 167 HB2 LYS 28 1HB LYS 28 -9.404 -9.294 0.752 168 HB3 LYS 28 2HB LYS 28 -9.967 -7.702 1.244 169 HG2 LYS 28 1HG LYS 28 -7.563 -7.160 1.794 170 HG3 LYS 28 2HG LYS 28 -7.134 -8.659 0.967 171 HD2 LYS 28 1HD LYS 28 -8.797 -6.510 -0.325 172 HD3 LYS 28 2HD LYS 28 -7.034 -6.533 -0.416 173 HE2 LYS 28 1HE LYS 28 -6.999 -8.463 -1.697 174 HE3 LYS 28 2HE LYS 28 -8.605 -8.963 -1.170 175 HZ1 LYS 28 1HZ LYS 28 -9.249 -6.741 -2.409 176 HZ2 LYS 28 2HZ LYS 28 -9.106 -8.211 -3.233 177 HZ3 LYS 28 3HZ LYS 28 -7.839 -7.091 -3.276 178 H LYS 29 H LYS 29 -7.733 -8.513 4.812 179 HA LYS 29 HA LYS 29 -9.216 -6.328 5.971 180 HB2 LYS 29 1HB LYS 29 -6.612 -7.665 6.707 181 HB3 LYS 29 2HB LYS 29 -7.274 -6.303 7.601 182 HG2 LYS 29 1HG LYS 29 -8.952 -7.538 8.519 183 HG3 LYS 29 2HG LYS 29 -9.027 -8.656 7.155 184 HD2 LYS 29 1HD LYS 29 -6.550 -8.639 8.795 185 HD3 LYS 29 2HD LYS 29 -7.999 -9.355 9.505 186 HE2 LYS 29 1HE LYS 29 -8.164 -10.967 7.800 187 HE3 LYS 29 2HE LYS 29 -7.041 -10.097 6.756 188 HZ1 LYS 29 1HZ LYS 29 -5.939 -11.980 7.705 189 HZ2 LYS 29 2HZ LYS 29 -6.376 -11.522 9.273 190 HZ3 LYS 29 3HZ LYS 29 -5.281 -10.581 8.392 191 H ARG 30 H ARG 30 -9.054 -4.314 5.262 192 HA ARG 30 HA ARG 30 -7.336 -3.330 3.369 193 HB2 ARG 30 1HB ARG 30 -9.428 -2.261 4.488 194 HB3 ARG 30 2HB ARG 30 -8.266 -1.556 5.604 195 HG2 ARG 30 1HG ARG 30 -7.430 -0.131 4.056 196 HG3 ARG 30 2HG ARG 30 -7.705 -1.249 2.718 197 HD2 ARG 30 1HD ARG 30 -9.298 0.333 2.265 198 HD3 ARG 30 2HD ARG 30 -10.230 -0.775 3.270 199 HE ARG 30 HE ARG 30 -9.293 0.946 5.089 200 HH11 ARG 30 2HH1 ARG 30 -10.824 1.457 2.004 201 HH12 ARG 30 1HH1 ARG 30 -11.545 2.964 2.465 202 HH21 ARG 30 2HH2 ARG 30 -10.236 2.928 5.707 203 HH22 ARG 30 1HH2 ARG 30 -11.209 3.800 4.571 204 H ARG 31 H ARG 31 -5.183 -3.528 3.443 205 HA ARG 31 HA ARG 31 -3.700 -3.296 5.893 206 HB2 ARG 31 1HB ARG 31 -3.232 -4.636 3.610 207 HB3 ARG 31 2HB ARG 31 -2.287 -3.188 3.287 208 HG2 ARG 31 1HG ARG 31 -1.101 -3.547 5.436 209 HG3 ARG 31 2HG ARG 31 -1.976 -5.069 5.615 210 HD2 ARG 31 1HD ARG 31 -1.040 -5.670 3.315 211 HD3 ARG 31 2HD ARG 31 0.057 -4.307 3.539 212 HE ARG 31 HE ARG 31 1.150 -5.485 5.231 213 HH11 ARG 31 2HH1 ARG 31 -1.569 -7.263 3.980 214 HH12 ARG 31 1HH1 ARG 31 -1.082 -8.765 4.694 215 HH21 ARG 31 2HH2 ARG 31 1.802 -7.455 6.176 216 HH22 ARG 31 1HH2 ARG 31 0.835 -8.873 5.944 217 H SER 32 H SER 32 -1.869 -1.796 6.138 218 HA SER 32 HA SER 32 -2.410 0.816 4.884 219 HB2 SER 32 1HB SER 32 -1.584 0.271 7.746 220 HB3 SER 32 2HB SER 32 -1.720 1.873 7.021 221 HG SER 32 HG SER 32 -3.987 0.967 6.498 222 H CYS 33 H CYS 33 -0.752 1.657 3.817 223 HA CYS 33 HA CYS 33 1.705 0.369 3.511 224 HB2 CYS 33 1HB CYS 33 0.718 2.012 1.911 225 HB3 CYS 33 2HB CYS 33 1.137 3.301 3.034 226 H SER 34 H SER 34 3.867 1.321 3.990 227 HA SER 34 HA SER 34 3.932 2.202 6.786 228 HB2 SER 34 1HB SER 34 5.209 0.118 5.764 229 HB3 SER 34 2HB SER 34 6.396 1.346 5.326 230 HG SER 34 HG SER 34 5.931 0.224 7.722 231 H ASN 35 H ASN 35 4.953 3.089 3.560 232 HA ASN 35 HA ASN 35 6.501 5.354 4.492 233 HB2 ASN 35 1HB ASN 35 7.375 4.300 2.550 234 HB3 ASN 35 2HB ASN 35 5.805 4.302 1.752 235 HD21 ASN 35 1HD2 ASN 35 6.426 5.411 -0.042 236 HD22 ASN 35 2HD2 ASN 35 6.914 7.068 -0.019 237 H CYS 36 H CYS 36 3.988 5.258 1.980 238 HA CYS 36 HA CYS 36 3.200 7.935 2.410 239 HB2 CYS 36 1HB CYS 36 1.472 7.527 0.808 240 HB3 CYS 36 2HB CYS 36 2.884 6.612 0.289 241 H GLY 37 H GLY 37 2.005 4.862 3.632 242 HA2 GLY 37 1HA GLY 37 0.735 4.466 5.528 243 HA3 GLY 37 2HA GLY 37 0.648 6.202 5.788 244 H ASN 38 H ASN 38 -0.332 4.471 2.875 245 HA ASN 38 HA ASN 38 -3.073 5.438 3.333 246 HB2 ASN 38 1HB ASN 38 -1.890 4.581 0.690 247 HB3 ASN 38 2HB ASN 38 -3.379 5.481 0.962 248 HD21 ASN 38 1HD2 ASN 38 -1.286 6.282 -0.740 249 HD22 ASN 38 2HD2 ASN 38 -0.621 7.750 -0.116 250 H SER 39 H SER 39 -4.719 4.012 2.047 251 HA SER 39 HA SER 39 -4.530 1.368 3.194 252 HB2 SER 39 1HB SER 39 -6.697 2.794 1.646 253 HB3 SER 39 2HB SER 39 -6.847 1.119 2.177 254 HG SER 39 HG SER 39 -7.630 2.093 3.894 255 H PHE 40 H PHE 40 -4.386 -0.560 2.118 256 HA PHE 40 HA PHE 40 -4.404 -0.665 -0.767 257 HB2 PHE 40 1HB PHE 40 -1.866 -1.044 0.816 258 HB3 PHE 40 2HB PHE 40 -2.084 -1.739 -0.787 259 HD1 PHE 40 1HD PHE 40 -2.582 -0.172 -2.713 260 HD2 PHE 40 2HD PHE 40 -1.203 1.176 1.081 261 HE1 PHE 40 1HE PHE 40 -1.864 1.950 -3.732 262 HE2 PHE 40 2HE PHE 40 -0.483 3.300 0.069 263 HZ PHE 40 HZ PHE 40 -0.814 3.690 -2.340 264 H CYS 41 H CYS 41 -4.050 -2.912 -1.563 265 HA CYS 41 HA CYS 41 -5.409 -4.766 0.208 266 HB2 CYS 41 1HB CYS 41 -5.585 -6.201 -1.770 267 HB3 CYS 41 2HB CYS 41 -6.143 -4.569 -2.126 268 H SER 42 H SER 42 -4.605 -7.170 -0.131 269 HA SER 42 HA SER 42 -1.983 -7.259 1.048 270 HB2 SER 42 1HB SER 42 -2.397 -9.632 1.339 271 HB3 SER 42 2HB SER 42 -3.850 -8.738 1.787 272 HG SER 42 HG SER 42 -4.776 -9.308 -0.161 273 H ARG 43 H ARG 43 -2.672 -6.677 -1.961 274 HA ARG 43 HA ARG 43 -0.626 -8.491 -3.062 275 HB2 ARG 43 1HB ARG 43 -2.867 -8.828 -4.046 276 HB3 ARG 43 2HB ARG 43 -2.895 -7.139 -4.533 277 HG2 ARG 43 1HG ARG 43 -1.324 -7.450 -6.192 278 HG3 ARG 43 2HG ARG 43 -0.671 -8.909 -5.442 279 HD2 ARG 43 1HD ARG 43 -3.049 -9.871 -5.911 280 HD3 ARG 43 2HD ARG 43 -3.142 -8.559 -7.086 281 HE ARG 43 HE ARG 43 -0.770 -10.192 -7.284 282 HH11 ARG 43 2HH1 ARG 43 -4.061 -9.722 -8.320 283 HH12 ARG 43 1HH1 ARG 43 -3.867 -10.631 -9.783 284 HH21 ARG 43 2HH2 ARG 43 -0.503 -11.390 -9.206 285 HH22 ARG 43 1HH2 ARG 43 -1.843 -11.580 -10.285 286 H CYS 44 H CYS 44 -1.735 -5.209 -2.720 287 HA CYS 44 HA CYS 44 0.371 -4.177 -4.449 288 HB2 CYS 44 1HB CYS 44 -1.913 -2.888 -2.963 289 HB3 CYS 44 2HB CYS 44 -0.649 -1.937 -3.736 290 H CYS 45 H CYS 45 -0.489 -4.350 -1.046 291 HA CYS 45 HA CYS 45 1.903 -2.845 -0.306 292 HB2 CYS 45 1HB CYS 45 -0.392 -2.479 0.771 293 HB3 CYS 45 2HB CYS 45 -0.128 -4.013 1.590 294 HG CYS 45 HG CYS 45 2.574 -2.461 2.195 295 H SER 46 H SER 46 2.294 -5.372 -1.527 296 HA SER 46 HA SER 46 3.257 -7.005 0.728 297 HB2 SER 46 1HB SER 46 3.013 -8.936 -0.596 298 HB3 SER 46 2HB SER 46 1.585 -7.976 -0.982 299 HG SER 46 HG SER 46 3.343 -7.169 -2.682 300 H PHE 47 H PHE 47 4.681 -4.723 -0.194 301 HA PHE 47 HA PHE 47 7.046 -6.001 -1.404 302 HB2 PHE 47 1HB PHE 47 6.058 -3.156 -1.654 303 HB3 PHE 47 2HB PHE 47 7.651 -3.684 -2.188 304 HD1 PHE 47 2HD PHE 47 7.865 -5.260 -4.067 305 HD2 PHE 47 1HD PHE 47 4.104 -3.634 -2.916 306 HE1 PHE 47 2HE PHE 47 6.916 -5.930 -6.236 307 HE2 PHE 47 1HE PHE 47 3.149 -4.302 -5.083 308 HZ PHE 47 HZ PHE 47 4.555 -5.450 -6.747 309 H LYS 48 H LYS 48 8.647 -6.264 -0.012 310 HA LYS 48 HA LYS 48 8.734 -4.707 2.440 311 HB2 LYS 48 1HB LYS 48 10.256 -7.107 1.442 312 HB3 LYS 48 2HB LYS 48 10.722 -6.258 2.910 313 HG2 LYS 48 1HG LYS 48 8.518 -6.706 3.868 314 HG3 LYS 48 2HG LYS 48 8.056 -7.564 2.396 315 HD2 LYS 48 1HD LYS 48 8.700 -9.243 3.914 316 HD3 LYS 48 2HD LYS 48 10.074 -9.057 2.822 317 HE2 LYS 48 1HE LYS 48 11.125 -9.088 4.868 318 HE3 LYS 48 2HE LYS 48 10.903 -7.356 4.621 319 HZ1 LYS 48 1HZ LYS 48 9.177 -9.126 6.266 320 HZ2 LYS 48 2HZ LYS 48 8.891 -7.483 5.986 321 HZ3 LYS 48 3HZ LYS 48 10.264 -7.967 6.847 322 H VAL 49 H VAL 49 9.865 -2.898 2.607 323 HA VAL 49 HA VAL 49 12.328 -2.611 1.021 324 HB VAL 49 HB VAL 49 11.847 -0.281 0.584 325 HG11 VAL 49 1HG1 VAL 49 10.529 -2.437 -0.575 326 HG12 VAL 49 2HG1 VAL 49 9.276 -1.216 -0.349 327 HG13 VAL 49 3HG1 VAL 49 10.733 -0.827 -1.264 328 HG21 VAL 49 1HG2 VAL 49 9.371 -0.800 2.207 329 HG22 VAL 49 2HG2 VAL 49 10.617 0.419 2.470 330 HG23 VAL 49 3HG2 VAL 49 9.510 0.570 1.105 331 HA PRO 50 HA PRO 50 14.259 -1.422 4.784 332 HB2 PRO 50 1HB PRO 50 16.208 0.219 3.844 333 HB3 PRO 50 2HB PRO 50 16.251 -1.537 3.645 334 HG2 PRO 50 1HG PRO 50 15.408 0.571 1.693 335 HG3 PRO 50 2HG PRO 50 16.402 -0.873 1.421 336 HD2 PRO 50 1HD PRO 50 13.777 -0.767 0.767 337 HD3 PRO 50 2HD PRO 50 14.569 -2.265 1.296 338 H LYS 51 H LYS 51 13.801 0.024 6.322 339 HA LYS 51 HA LYS 51 12.452 2.481 5.616 340 HB2 LYS 51 1HB LYS 51 12.139 2.736 8.049 341 HB3 LYS 51 2HB LYS 51 11.595 1.167 7.471 342 HG2 LYS 51 1HG LYS 51 13.348 0.042 8.477 343 HG3 LYS 51 2HG LYS 51 14.352 1.491 8.579 344 HD2 LYS 51 1HD LYS 51 13.678 1.250 10.769 345 HD3 LYS 51 2HD LYS 51 12.443 2.348 10.147 346 HE2 LYS 51 1HE LYS 51 10.821 0.699 10.095 347 HE3 LYS 51 2HE LYS 51 12.004 -0.606 10.031 348 HZ1 LYS 51 1HZ LYS 51 10.697 0.376 12.267 349 HZ2 LYS 51 2HZ LYS 51 12.310 0.857 12.427 350 HZ3 LYS 51 3HZ LYS 51 11.932 -0.779 12.224 351 H SER 52 H SER 52 15.122 2.444 4.753 352 HA SER 52 HA SER 52 16.246 4.597 6.416 353 HB2 SER 52 1HB SER 52 17.464 2.355 6.614 354 HB3 SER 52 2HB SER 52 17.963 2.601 4.941 355 HG SER 52 HG SER 52 18.447 4.415 7.071 356 H SER 53 H SER 53 14.580 4.587 3.967 357 HA SER 53 HA SER 53 16.444 6.029 2.196 358 HB2 SER 53 1HB SER 53 15.204 5.287 0.276 359 HB3 SER 53 2HB SER 53 15.575 3.862 1.247 360 HG SER 53 HG SER 53 13.322 4.171 0.427 361 H MET 54 H MET 54 13.150 5.818 3.454 362 HA MET 54 HA MET 54 11.980 8.002 2.257 363 HB2 MET 54 1HB MET 54 11.634 7.140 5.134 364 HB3 MET 54 2HB MET 54 10.511 8.132 4.213 365 HG2 MET 54 1HG MET 54 9.790 6.362 2.927 366 HG3 MET 54 2HG MET 54 11.251 5.421 3.218 367 HE1 MET 54 1HE MET 54 10.056 2.850 5.091 368 HE2 MET 54 2HE MET 54 8.660 3.256 4.092 369 HE3 MET 54 3HE MET 54 10.292 3.487 3.463 370 H GLY 55 H GLY 55 14.110 7.935 5.084 371 HA2 GLY 55 1HA GLY 55 15.580 10.076 4.923 372 HA3 GLY 55 2HA GLY 55 14.035 10.869 5.193 373 H ALA 56 H ALA 56 15.344 7.903 6.637 374 HA ALA 56 HA ALA 56 15.391 9.265 9.243 375 HB1 ALA 56 1HB ALA 56 14.261 6.508 8.781 376 HB2 ALA 56 2HB ALA 56 14.349 7.370 10.318 377 HB3 ALA 56 3HB ALA 56 13.303 7.967 9.031 378 H THR 57 H THR 57 17.623 8.839 7.638 379 HA THR 57 HA THR 57 19.099 6.579 7.810 380 HB THR 57 HB THR 57 21.127 7.942 7.897 381 HG1 THR 57 1HG THR 57 20.369 9.461 9.482 382 HG21 THR 57 1HG2 THR 57 18.923 9.164 6.233 383 HG22 THR 57 2HG2 THR 57 19.971 7.824 5.770 384 HG23 THR 57 3HG2 THR 57 20.646 9.438 5.984 385 H ALA 58 H ALA 58 19.253 5.224 9.480 386 HA ALA 58 HA ALA 58 20.301 6.254 12.008 387 HB1 ALA 58 1HB ALA 58 18.195 6.169 12.829 388 HB2 ALA 58 2HB ALA 58 17.656 4.993 11.630 389 HB3 ALA 58 3HB ALA 58 18.593 4.462 13.026 390 HA PRO 59 HA PRO 59 22.892 2.709 11.760 391 HB2 PRO 59 1HB PRO 59 23.533 2.424 14.382 392 HB3 PRO 59 2HB PRO 59 24.184 3.718 13.369 393 HG2 PRO 59 1HG PRO 59 21.918 3.800 15.324 394 HG3 PRO 59 2HG PRO 59 23.218 4.979 15.067 395 HD2 PRO 59 1HD PRO 59 20.726 5.316 14.063 396 HD3 PRO 59 2HD PRO 59 22.178 5.915 13.236 397 H GLU 60 H GLU 60 19.827 2.628 12.962 398 HA GLU 60 HA GLU 60 19.991 -0.268 13.452 399 HB2 GLU 60 1HB GLU 60 18.248 -0.069 15.162 400 HB3 GLU 60 2HB GLU 60 19.678 0.857 15.598 401 HG2 GLU 60 1HG GLU 60 18.437 2.852 14.545 402 HG3 GLU 60 2HG GLU 60 17.002 1.838 14.696 403 H ALA 61 H ALA 61 18.086 2.472 12.347 404 HA ALA 61 HA ALA 61 15.921 0.835 11.381 405 HB1 ALA 61 1HB ALA 61 16.445 3.711 10.676 406 HB2 ALA 61 2HB ALA 61 14.908 2.846 10.661 407 HB3 ALA 61 3HB ALA 61 15.697 3.216 12.194 408 H GLN 62 H GLN 62 18.298 -0.102 10.330 409 HA GLN 62 HA GLN 62 18.011 0.605 7.486 410 HB2 GLN 62 1HB GLN 62 20.432 0.065 7.225 411 HB3 GLN 62 2HB GLN 62 20.124 1.484 8.217 412 HG2 GLN 62 1HG GLN 62 20.612 0.308 10.211 413 HG3 GLN 62 2HG GLN 62 20.613 -1.244 9.374 414 HE21 GLN 62 1HE2 GLN 62 22.321 1.799 9.743 415 HE22 GLN 62 2HE2 GLN 62 23.862 1.213 9.229 416 H ARG 63 H ARG 63 18.745 -1.893 9.858 417 HA ARG 63 HA ARG 63 18.829 -3.998 7.898 418 HB2 ARG 63 1HB ARG 63 18.893 -3.923 10.903 419 HB3 ARG 63 2HB ARG 63 18.743 -5.445 10.035 420 HG2 ARG 63 1HG ARG 63 20.974 -3.491 9.548 421 HG3 ARG 63 2HG ARG 63 21.068 -4.802 10.726 422 HD2 ARG 63 1HD ARG 63 20.222 -5.487 7.966 423 HD3 ARG 63 2HD ARG 63 21.916 -5.071 8.219 424 HE ARG 63 HE ARG 63 20.534 -7.429 9.174 425 HH11 ARG 63 2HH1 ARG 63 23.349 -5.395 9.410 426 HH12 ARG 63 1HH1 ARG 63 24.341 -6.627 10.116 427 HH21 ARG 63 2HH2 ARG 63 21.830 -9.060 10.102 428 HH22 ARG 63 1HH2 ARG 63 23.477 -8.712 10.508 429 H GLU 64 H GLU 64 16.448 -2.571 10.012 430 HA GLU 64 HA GLU 64 14.531 -4.624 9.974 431 HB2 GLU 64 1HB GLU 64 14.644 -2.428 11.374 432 HB3 GLU 64 2HB GLU 64 13.760 -1.726 10.026 433 HG2 GLU 64 1HG GLU 64 12.427 -2.601 12.021 434 HG3 GLU 64 2HG GLU 64 11.886 -3.043 10.403 435 H THR 65 H THR 65 12.473 -4.644 8.827 436 HA THR 65 HA THR 65 12.596 -3.405 6.162 437 HB THR 65 HB THR 65 11.574 -5.512 5.236 438 HG1 THR 65 1HG THR 65 12.329 -6.468 7.810 439 HG21 THR 65 1HG2 THR 65 14.123 -6.528 6.192 440 HG22 THR 65 2HG2 THR 65 14.230 -4.849 5.662 441 HG23 THR 65 3HG2 THR 65 13.627 -6.086 4.559 442 H VAL 66 H VAL 66 10.767 -2.432 5.542 443 HA VAL 66 HA VAL 66 8.321 -2.978 7.097 444 HB VAL 66 HB VAL 66 7.635 -0.646 6.558 445 HG11 VAL 66 1HG1 VAL 66 9.932 0.156 7.953 446 HG12 VAL 66 2HG1 VAL 66 8.372 -0.319 8.629 447 HG13 VAL 66 3HG1 VAL 66 9.644 -1.521 8.413 448 HG21 VAL 66 1HG2 VAL 66 10.404 0.155 5.952 449 HG22 VAL 66 2HG2 VAL 66 9.558 -0.700 4.663 450 HG23 VAL 66 3HG2 VAL 66 8.878 0.784 5.331 451 H PHE 67 H PHE 67 6.326 -2.951 6.002 452 HA PHE 67 HA PHE 67 6.547 -3.681 3.185 453 HB2 PHE 67 1HB PHE 67 4.452 -4.078 5.297 454 HB3 PHE 67 2HB PHE 67 4.034 -4.242 3.595 455 HD1 PHE 67 2HD PHE 67 4.995 -6.035 2.246 456 HD2 PHE 67 1HD PHE 67 5.810 -5.704 6.410 457 HE1 PHE 67 2HE PHE 67 5.826 -8.351 2.263 458 HE2 PHE 67 1HE PHE 67 6.644 -8.018 6.434 459 HZ PHE 67 HZ PHE 67 6.652 -9.345 4.360 460 H VAL 68 H VAL 68 5.914 -2.403 1.571 461 HA VAL 68 HA VAL 68 4.170 -0.112 2.191 462 HB VAL 68 HB VAL 68 5.424 1.301 0.680 463 HG11 VAL 68 1HG1 VAL 68 7.758 0.415 2.133 464 HG12 VAL 68 2HG1 VAL 68 6.801 1.885 2.328 465 HG13 VAL 68 3HG1 VAL 68 6.322 0.403 3.156 466 HG21 VAL 68 1HG2 VAL 68 7.812 0.043 0.155 467 HG22 VAL 68 2HG2 VAL 68 6.626 -1.237 -0.101 468 HG23 VAL 68 3HG2 VAL 68 6.495 0.277 -0.995 469 H CYS 69 H CYS 69 3.434 0.918 -0.009 470 HA CYS 69 HA CYS 69 2.168 -1.240 -1.497 471 HB2 CYS 69 1HB CYS 69 0.680 0.439 -2.364 472 HB3 CYS 69 2HB CYS 69 0.849 0.703 -0.631 473 H ALA 70 H ALA 70 2.270 -1.466 -3.742 474 HA ALA 70 HA ALA 70 4.648 -1.372 -5.010 475 HB1 ALA 70 1HB ALA 70 2.309 -2.245 -5.790 476 HB2 ALA 70 2HB ALA 70 2.248 -0.706 -6.648 477 HB3 ALA 70 3HB ALA 70 3.554 -1.845 -6.974 478 H SER 71 H SER 71 2.178 1.186 -5.307 479 HA SER 71 HA SER 71 3.434 2.956 -6.940 480 HB2 SER 71 1HB SER 71 1.168 3.133 -5.643 481 HB3 SER 71 2HB SER 71 2.126 4.015 -4.455 482 HG SER 71 HG SER 71 2.710 5.471 -6.099 483 H CYS 72 H CYS 72 4.002 2.555 -3.467 484 HA CYS 72 HA CYS 72 6.017 4.614 -3.402 485 HB2 CYS 72 1HB CYS 72 5.077 2.588 -1.371 486 HB3 CYS 72 2HB CYS 72 6.383 3.725 -1.053 487 H ASN 73 H ASN 73 6.136 1.124 -2.654 488 HA ASN 73 HA ASN 73 8.760 0.652 -2.437 489 HB2 ASN 73 1HB ASN 73 7.207 -1.177 -2.330 490 HB3 ASN 73 2HB ASN 73 6.765 -0.974 -4.022 491 HD21 ASN 73 1HD2 ASN 73 8.065 -1.801 -5.605 492 HD22 ASN 73 2HD2 ASN 73 9.408 -2.839 -5.281 493 H GLN 74 H GLN 74 7.083 1.190 -5.504 494 HA GLN 74 HA GLN 74 9.296 0.712 -7.186 495 HB2 GLN 74 1HB GLN 74 6.795 2.355 -7.584 496 HB3 GLN 74 2HB GLN 74 7.979 2.077 -8.854 497 HG2 GLN 74 1HG GLN 74 6.692 -0.202 -7.399 498 HG3 GLN 74 2HG GLN 74 5.906 0.581 -8.769 499 HE21 GLN 74 1HE2 GLN 74 8.273 -1.644 -7.756 500 HE22 GLN 74 2HE2 GLN 74 8.880 -2.068 -9.317 501 H THR 75 H THR 75 8.012 3.685 -5.744 502 HA THR 75 HA THR 75 9.911 5.413 -6.962 503 HB THR 75 HB THR 75 8.291 5.857 -4.446 504 HG1 THR 75 1HG THR 75 7.669 6.938 -6.974 505 HG21 THR 75 1HG2 THR 75 10.381 7.378 -5.499 506 HG22 THR 75 2HG2 THR 75 9.189 7.896 -4.307 507 HG23 THR 75 3HG2 THR 75 8.911 8.199 -6.022 508 H LEU 76 H LEU 76 9.678 4.013 -3.698 509 HA LEU 76 HA LEU 76 12.001 5.149 -2.645 510 HB2 LEU 76 1HB LEU 76 10.806 2.460 -1.991 511 HB3 LEU 76 2HB LEU 76 11.929 3.371 -0.984 512 HG LEU 76 HG LEU 76 9.130 4.253 -1.686 513 HD11 LEU 76 1HD1 LEU 76 8.385 2.993 -0.025 514 HD12 LEU 76 2HD1 LEU 76 9.528 3.746 1.087 515 HD13 LEU 76 3HD1 LEU 76 10.000 2.313 0.174 516 HD21 LEU 76 1HD2 LEU 76 9.542 5.873 0.171 517 HD22 LEU 76 2HD2 LEU 76 10.519 6.151 -1.271 518 HD23 LEU 76 3HD2 LEU 76 11.237 5.385 0.147 519 H SER 77 H SER 77 11.560 1.910 -4.068 520 HA SER 77 HA SER 77 14.404 1.434 -4.096 521 HB2 SER 77 1HB SER 77 12.714 -0.379 -3.723 522 HB3 SER 77 2HB SER 77 12.215 -0.196 -5.404 523 HG SER 77 HG SER 77 14.047 -1.086 -6.068 524 H LYS 78 H LYS 78 13.852 3.731 -5.511 525 HA LYS 78 HA LYS 78 14.800 2.971 -8.159 526 HB2 LYS 78 1HB LYS 78 12.459 3.143 -8.595 527 HB3 LYS 78 2HB LYS 78 12.329 4.630 -7.664 528 HG2 LYS 78 1HG LYS 78 13.604 5.829 -9.325 529 HG3 LYS 78 2HG LYS 78 13.875 4.340 -10.233 530 HD2 LYS 78 1HD LYS 78 11.667 4.221 -10.939 531 HD3 LYS 78 2HD LYS 78 11.089 5.255 -9.630 532 HE2 LYS 78 1HE LYS 78 12.450 7.112 -10.729 533 HE3 LYS 78 2HE LYS 78 12.571 6.041 -12.125 534 HZ1 LYS 78 1HZ LYS 78 10.337 7.600 -11.196 535 HZ2 LYS 78 2HZ LYS 78 9.930 6.001 -11.565 536 HZ3 LYS 78 3HZ LYS 78 10.657 6.980 -12.737 537 H SER 79 H SER 79 16.651 4.034 -8.356 538 HA SER 79 HA SER 79 17.027 6.585 -7.000 539 HB2 SER 79 1HB SER 79 18.854 4.585 -8.284 540 HB3 SER 79 2HB SER 79 19.414 6.239 -8.039 541 HG SER 79 HG SER 79 19.648 5.813 -6.002 542 H GLY 80 H GLY 80 15.197 6.934 -8.938 543 HA2 GLY 80 1HA GLY 80 16.696 8.500 -10.934 544 HA3 GLY 80 2HA GLY 80 15.390 7.442 -11.449 545 HA PRO 81 HA PRO 81 13.561 11.625 -10.829 546 HB2 PRO 81 1HB PRO 81 11.960 11.488 -13.017 547 HB3 PRO 81 2HB PRO 81 13.641 12.027 -13.090 548 HG2 PRO 81 1HG PRO 81 12.483 9.345 -13.741 549 HG3 PRO 81 2HG PRO 81 13.711 10.276 -14.618 550 HD2 PRO 81 1HD PRO 81 14.341 8.220 -12.972 551 HD3 PRO 81 2HD PRO 81 15.402 9.626 -13.192 552 H SER 82 H SER 82 12.374 11.074 -9.012 553 HA SER 82 HA SER 82 10.222 9.189 -9.097 554 HB2 SER 82 1HB SER 82 9.803 9.841 -6.799 555 HB3 SER 82 2HB SER 82 11.543 9.682 -7.037 556 HG SER 82 HG SER 82 11.003 11.596 -5.906 557 H SER 83 H SER 83 8.067 9.528 -9.311 558 HA SER 83 HA SER 83 7.250 12.219 -10.150 559 HB2 SER 83 1HB SER 83 5.252 11.015 -11.112 560 HB3 SER 83 2HB SER 83 6.799 10.567 -11.830 561 HG SER 83 HG SER 83 5.242 8.831 -11.145 562 H GLY 84 H GLY 84 5.116 12.991 -9.505 563 HA2 GLY 84 1HA GLY 84 3.193 12.438 -7.955 564 HA3 GLY 84 2HA GLY 84 4.447 12.079 -6.776
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