NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534888 | 2lni | 18166 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 18.282 30.918 21.995 2 H2 MET 1 2H MET 1 16.841 31.708 21.616 3 H3 MET 1 3H MET 1 18.163 31.828 20.575 4 HA MET 1 HA MET 1 18.040 29.495 20.063 5 HB2 MET 1 2HB MET 1 15.599 29.536 21.894 6 HB3 MET 1 3HB MET 1 16.101 28.158 20.920 7 HG2 MET 1 2HG MET 1 18.167 27.966 22.220 8 HG3 MET 1 3HG MET 1 17.725 29.394 23.160 9 HE1 MET 1 3HE MET 1 17.299 26.535 25.802 10 HE2 MET 1 1HE MET 1 18.089 28.065 25.427 11 HE3 MET 1 2HE MET 1 18.535 26.601 24.545 12 H GLY 2 H GLY 2 16.972 32.265 19.356 13 HA2 GLY 2 2HA GLY 2 14.574 31.956 17.850 14 HA3 GLY 2 3HA GLY 2 15.734 33.276 17.743 15 H HIS 3 H HIS 3 14.571 30.507 16.239 16 HA HIS 3 HA HIS 3 16.738 29.647 14.656 17 HB2 HIS 3 2HB HIS 3 13.726 29.430 14.207 18 HB3 HIS 3 3HB HIS 3 14.907 28.676 13.139 19 HD1 HIS 3 HD1 HIS 3 15.729 26.410 13.801 20 HD2 HIS 3 HD2 HIS 3 13.830 28.345 16.938 21 HE1 HIS 3 HE1 HIS 3 15.537 24.709 15.626 22 HE2 HIS 3 HE2 HIS 3 14.215 25.849 17.427 23 H HIS 4 H HIS 4 17.848 31.248 13.672 24 HA HIS 4 HA HIS 4 16.725 33.522 12.374 25 HB2 HIS 4 2HB HIS 4 19.533 32.347 12.183 26 HB3 HIS 4 3HB HIS 4 19.066 33.922 11.548 27 HD1 HIS 4 HD1 HIS 4 18.549 35.795 13.311 28 HD2 HIS 4 HD2 HIS 4 20.060 32.272 14.907 29 HE1 HIS 4 HE1 HIS 4 19.213 36.349 15.668 30 HE2 HIS 4 HE2 HIS 4 20.084 34.195 16.619 31 H HIS 5 H HIS 5 16.076 33.788 10.332 32 HA HIS 5 HA HIS 5 17.050 32.222 8.114 33 HB2 HIS 5 2HB HIS 5 14.842 31.407 7.351 34 HB3 HIS 5 3HB HIS 5 15.213 30.752 8.940 35 HD1 HIS 5 HD1 HIS 5 12.703 32.720 7.121 36 HD2 HIS 5 HD2 HIS 5 13.647 31.946 11.090 37 HE1 HIS 5 HE1 HIS 5 10.672 33.370 8.438 38 HE2 HIS 5 HE2 HIS 5 11.320 33.024 10.834 39 H HIS 6 H HIS 6 16.503 33.166 6.112 40 HA HIS 6 HA HIS 6 15.854 36.034 6.237 41 HB2 HIS 6 2HB HIS 6 16.952 34.389 3.908 42 HB3 HIS 6 3HB HIS 6 16.838 36.144 3.985 43 HD1 HIS 6 HD1 HIS 6 18.422 37.303 5.855 44 HD2 HIS 6 HD2 HIS 6 19.282 33.349 4.911 45 HE1 HIS 6 HE1 HIS 6 20.745 36.895 6.716 46 HE2 HIS 6 HE2 HIS 6 21.194 34.467 6.231 47 H HIS 7 H HIS 7 14.681 36.753 4.061 48 HA HIS 7 HA HIS 7 12.004 35.735 4.245 49 HB2 HIS 7 2HB HIS 7 13.209 37.790 2.347 50 HB3 HIS 7 3HB HIS 7 11.487 37.427 2.438 51 HD1 HIS 7 HD1 HIS 7 13.631 39.933 3.496 52 HD2 HIS 7 HD2 HIS 7 10.743 37.704 5.478 53 HE1 HIS 7 HE1 HIS 7 13.005 41.278 5.513 54 HE2 HIS 7 HE2 HIS 7 11.160 39.983 6.610 55 H HIS 8 H HIS 8 14.673 34.962 2.218 56 HA HIS 8 HA HIS 8 12.966 33.328 0.419 57 HB2 HIS 8 2HB HIS 8 15.734 34.521 -0.084 58 HB3 HIS 8 3HB HIS 8 14.902 33.436 -1.196 59 HD1 HIS 8 HD1 HIS 8 15.742 36.593 -1.549 60 HD2 HIS 8 HD2 HIS 8 11.938 34.978 -1.094 61 HE1 HIS 8 HE1 HIS 8 14.170 38.265 -2.566 62 HE2 HIS 8 HE2 HIS 8 11.905 37.198 -2.397 63 H SER 9 H SER 9 13.966 32.665 3.130 64 HA SER 9 HA SER 9 15.618 30.277 2.530 65 HB2 SER 9 2HB SER 9 14.927 31.535 5.226 66 HB3 SER 9 3HB SER 9 15.998 30.152 4.969 67 HG SER 9 HG SER 9 17.153 31.745 3.509 68 H HIS 10 H HIS 10 14.683 28.291 2.592 69 HA HIS 10 HA HIS 10 11.808 28.083 3.085 70 HB2 HIS 10 2HB HIS 10 13.853 26.104 1.990 71 HB3 HIS 10 3HB HIS 10 12.172 25.673 2.295 72 HD1 HIS 10 HD1 HIS 10 12.283 25.154 -0.356 73 HD2 HIS 10 HD2 HIS 10 12.393 29.165 0.728 74 HE1 HIS 10 HE1 HIS 10 11.663 26.429 -2.425 75 HE2 HIS 10 HE2 HIS 10 11.929 28.847 -1.788 76 H MET 11 H MET 11 11.285 27.989 5.183 77 HA MET 11 HA MET 11 12.674 26.682 7.288 78 HB2 MET 11 2HB MET 11 9.704 27.368 7.049 79 HB3 MET 11 3HB MET 11 10.515 26.899 8.542 80 HG2 MET 11 2HG MET 11 11.102 29.388 6.918 81 HG3 MET 11 3HG MET 11 10.192 29.325 8.427 82 HE1 MET 11 3HE MET 11 11.287 28.808 10.806 83 HE2 MET 11 1HE MET 11 12.987 28.399 11.031 84 HE3 MET 11 2HE MET 11 11.909 27.264 10.219 85 H ASN 12 H ASN 12 10.417 25.584 4.881 86 HA ASN 12 HA ASN 12 10.193 22.863 5.882 87 HB2 ASN 12 2HB ASN 12 9.419 24.044 3.163 88 HB3 ASN 12 3HB ASN 12 8.969 22.447 3.762 89 HD21 ASN 12 1HD2 ASN 12 8.493 25.890 4.206 90 HD22 ASN 12 2HD2 ASN 12 7.009 25.767 5.073 91 HA PRO 13 HA PRO 13 14.401 22.077 4.173 92 HB2 PRO 13 2HB PRO 13 14.399 19.321 4.654 93 HB3 PRO 13 3HB PRO 13 14.800 20.547 5.871 94 HG2 PRO 13 2HG PRO 13 12.187 19.143 5.412 95 HG3 PRO 13 3HG PRO 13 13.023 19.482 6.945 96 HD2 PRO 13 2HD PRO 13 10.958 20.994 6.154 97 HD3 PRO 13 3HD PRO 13 12.362 21.740 6.955 98 H ASP 14 H ASP 14 11.570 20.126 3.347 99 HA ASP 14 HA ASP 14 12.215 20.195 0.512 100 HB2 ASP 14 2HB ASP 14 13.400 18.166 1.104 101 HB3 ASP 14 3HB ASP 14 12.071 17.596 2.105 102 H LEU 15 H LEU 15 10.365 21.043 -0.210 103 HA LEU 15 HA LEU 15 7.868 20.941 1.072 104 HB2 LEU 15 2HB LEU 15 8.509 21.608 -1.828 105 HB3 LEU 15 3HB LEU 15 6.947 21.864 -1.065 106 HG LEU 15 HG LEU 15 8.288 23.367 0.642 107 HD11 LEU 15 1HD1 LEU 15 10.251 23.409 -1.647 108 HD12 LEU 15 2HD1 LEU 15 10.532 22.794 -0.018 109 HD13 LEU 15 3HD1 LEU 15 10.249 24.513 -0.266 110 HD21 LEU 15 3HD2 LEU 15 6.599 24.265 -0.880 111 HD22 LEU 15 1HD2 LEU 15 7.783 24.341 -2.187 112 HD23 LEU 15 2HD2 LEU 15 7.968 25.368 -0.761 113 H ALA 16 H ALA 16 9.362 18.799 -1.258 114 HA ALA 16 HA ALA 16 7.098 17.351 -2.117 115 HB1 ALA 16 3HB ALA 16 9.267 17.194 -3.263 116 HB2 ALA 16 1HB ALA 16 8.670 15.596 -2.811 117 HB3 ALA 16 2HB ALA 16 9.958 16.362 -1.871 118 H LEU 17 H LEU 17 8.938 17.181 0.921 119 HA LEU 17 HA LEU 17 7.559 14.723 1.708 120 HB2 LEU 17 2HB LEU 17 8.921 14.618 3.596 121 HB3 LEU 17 3HB LEU 17 9.965 15.337 2.393 122 HG LEU 17 HG LEU 17 9.307 17.630 3.570 123 HD11 LEU 17 1HD1 LEU 17 8.715 15.689 5.823 124 HD12 LEU 17 2HD1 LEU 17 7.557 16.760 5.042 125 HD13 LEU 17 3HD1 LEU 17 8.876 17.442 5.988 126 HD21 LEU 17 3HD2 LEU 17 11.220 17.429 5.092 127 HD22 LEU 17 1HD2 LEU 17 11.581 16.673 3.541 128 HD23 LEU 17 2HD2 LEU 17 11.186 15.670 4.935 129 H MET 18 H MET 18 6.959 18.104 1.772 130 HA MET 18 HA MET 18 5.232 18.063 4.132 131 HB2 MET 18 2HB MET 18 5.900 20.245 2.105 132 HB3 MET 18 3HB MET 18 4.815 20.479 3.474 133 HG2 MET 18 2HG MET 18 7.747 19.742 3.654 134 HG3 MET 18 3HG MET 18 7.044 21.332 3.975 135 HE1 MET 18 3HE MET 18 8.933 19.877 6.139 136 HE2 MET 18 1HE MET 18 8.005 20.172 7.609 137 HE3 MET 18 2HE MET 18 8.166 21.446 6.400 138 H VAL 19 H VAL 19 4.920 18.017 0.638 139 HA VAL 19 HA VAL 19 2.111 18.441 0.475 140 HB VAL 19 HB VAL 19 3.691 18.819 -1.435 141 HG11 VAL 19 1HG1 VAL 19 5.140 16.887 -1.182 142 HG12 VAL 19 2HG1 VAL 19 4.452 16.913 -2.804 143 HG13 VAL 19 3HG1 VAL 19 3.818 15.794 -1.597 144 HG21 VAL 19 3HG2 VAL 19 1.273 18.628 -1.887 145 HG22 VAL 19 1HG2 VAL 19 1.433 16.882 -2.098 146 HG23 VAL 19 2HG2 VAL 19 2.217 17.988 -3.232 147 H LYS 20 H LYS 20 4.142 15.578 0.925 148 HA LYS 20 HA LYS 20 2.015 13.677 0.525 149 HB2 LYS 20 2HB LYS 20 3.549 11.962 1.176 150 HB3 LYS 20 3HB LYS 20 4.451 13.109 0.198 151 HG2 LYS 20 2HG LYS 20 5.487 14.049 2.207 152 HG3 LYS 20 3HG LYS 20 4.528 12.982 3.230 153 HD2 LYS 20 2HD LYS 20 6.739 12.041 3.064 154 HD3 LYS 20 3HD LYS 20 5.655 11.016 2.124 155 HE2 LYS 20 2HE LYS 20 6.433 12.304 0.063 156 HE3 LYS 20 3HE LYS 20 7.665 13.036 1.100 157 HZ1 LYS 20 3HZ LYS 20 8.576 11.143 -0.048 158 HZ2 LYS 20 1HZ LYS 20 7.347 10.129 0.525 159 HZ3 LYS 20 2HZ LYS 20 8.472 10.783 1.599 160 H ASN 21 H ASN 21 3.407 15.399 3.287 161 HA ASN 21 HA ASN 21 2.164 13.955 5.381 162 HB2 ASN 21 2HB ASN 21 3.141 16.843 5.296 163 HB3 ASN 21 3HB ASN 21 2.523 16.083 6.758 164 HD21 ASN 21 1HD2 ASN 21 5.129 17.188 6.337 165 HD22 ASN 21 2HD2 ASN 21 6.262 15.907 6.575 166 H LYS 22 H LYS 22 1.147 16.889 3.600 167 HA LYS 22 HA LYS 22 -1.358 17.112 5.005 168 HB2 LYS 22 2HB LYS 22 -1.891 18.877 3.404 169 HB3 LYS 22 3HB LYS 22 -0.265 19.080 4.050 170 HG2 LYS 22 2HG LYS 22 0.561 17.907 1.920 171 HG3 LYS 22 3HG LYS 22 -1.072 18.146 1.290 172 HD2 LYS 22 2HD LYS 22 0.792 20.341 2.251 173 HD3 LYS 22 3HD LYS 22 0.489 19.917 0.571 174 HE2 LYS 22 2HE LYS 22 -1.882 20.563 0.820 175 HE3 LYS 22 3HE LYS 22 -1.603 20.957 2.519 176 HZ1 LYS 22 3HZ LYS 22 -0.227 22.288 0.247 177 HZ2 LYS 22 1HZ LYS 22 -0.122 22.709 1.878 178 HZ3 LYS 22 2HZ LYS 22 -1.575 22.909 1.046 179 H GLY 23 H GLY 23 -0.261 15.489 2.077 180 HA2 GLY 23 2HA GLY 23 -2.699 14.597 1.021 181 HA3 GLY 23 3HA GLY 23 -1.200 13.682 0.992 182 H ASN 24 H ASN 24 -0.721 13.139 3.583 183 HA ASN 24 HA ASN 24 -2.524 11.054 4.252 184 HB2 ASN 24 2HB ASN 24 -0.091 12.206 5.651 185 HB3 ASN 24 3HB ASN 24 -1.074 10.980 6.441 186 HD21 ASN 24 1HD2 ASN 24 1.257 11.567 3.951 187 HD22 ASN 24 2HD2 ASN 24 1.496 9.925 3.503 188 H GLU 25 H GLU 25 -2.189 14.399 5.405 189 HA GLU 25 HA GLU 25 -3.936 14.023 7.648 190 HB2 GLU 25 2HB GLU 25 -3.573 16.209 8.222 191 HB3 GLU 25 3HB GLU 25 -2.200 16.023 7.147 192 HG2 GLU 25 2HG GLU 25 -3.552 17.110 5.333 193 HG3 GLU 25 3HG GLU 25 -4.853 17.335 6.493 194 H CYS 26 H CYS 26 -4.377 15.004 4.266 195 HA CYS 26 HA CYS 26 -7.053 15.829 4.340 196 HB2 CYS 26 2HB CYS 26 -5.472 14.512 2.106 197 HB3 CYS 26 3HB CYS 26 -7.105 15.143 1.890 198 HG CYS 26 HG CYS 26 -4.836 17.270 3.192 199 H PHE 27 H PHE 27 -5.667 12.634 3.675 200 HA PHE 27 HA PHE 27 -7.949 11.071 3.531 201 HB2 PHE 27 2HB PHE 27 -5.553 10.395 3.050 202 HB3 PHE 27 3HB PHE 27 -5.279 10.277 4.782 203 HD1 PHE 27 HD2 PHE 27 -6.905 8.724 1.868 204 HD2 PHE 27 HD1 PHE 27 -6.226 8.426 6.057 205 HE1 PHE 27 HE2 PHE 27 -7.662 6.379 1.823 206 HE2 PHE 27 HE1 PHE 27 -6.978 6.079 6.028 207 HZ PHE 27 HZ PHE 27 -7.699 5.056 3.904 208 H GLN 28 H GLN 28 -6.062 12.017 6.344 209 HA GLN 28 HA GLN 28 -7.475 10.697 8.400 210 HB2 GLN 28 2HB GLN 28 -5.183 11.519 8.724 211 HB3 GLN 28 3HB GLN 28 -5.700 13.173 8.433 212 HG2 GLN 28 2HG GLN 28 -5.295 12.853 10.801 213 HG3 GLN 28 3HG GLN 28 -7.018 13.139 10.526 214 HE21 GLN 28 1HE2 GLN 28 -8.485 11.437 10.971 215 HE22 GLN 28 2HE2 GLN 28 -8.022 9.995 11.799 216 H LYS 29 H LYS 29 -8.283 13.662 6.611 217 HA LYS 29 HA LYS 29 -10.028 14.750 8.674 218 HB2 LYS 29 2HB LYS 29 -10.318 15.396 5.713 219 HB3 LYS 29 3HB LYS 29 -10.718 16.407 7.094 220 HG2 LYS 29 2HG LYS 29 -7.957 15.683 6.122 221 HG3 LYS 29 3HG LYS 29 -8.748 17.242 5.902 222 HD2 LYS 29 2HD LYS 29 -8.017 16.068 8.621 223 HD3 LYS 29 3HD LYS 29 -6.972 17.158 7.711 224 HE2 LYS 29 2HE LYS 29 -8.729 18.883 7.782 225 HE3 LYS 29 3HE LYS 29 -9.743 17.795 8.739 226 HZ1 LYS 29 3HZ LYS 29 -8.555 19.420 10.106 227 HZ2 LYS 29 1HZ LYS 29 -7.075 18.810 9.561 228 HZ3 LYS 29 2HZ LYS 29 -8.099 17.838 10.488 229 H GLY 30 H GLY 30 -10.252 12.025 6.735 230 HA2 GLY 30 2HA GLY 30 -12.035 10.478 6.819 231 HA3 GLY 30 3HA GLY 30 -13.182 11.793 7.078 232 H ASP 31 H ASP 31 -10.580 11.498 4.713 233 HA ASP 31 HA ASP 31 -12.521 11.603 2.480 234 HB2 ASP 31 2HB ASP 31 -11.694 13.831 2.673 235 HB3 ASP 31 3HB ASP 31 -10.064 13.293 3.039 236 H TYR 32 H TYR 32 -11.873 10.549 0.590 237 HA TYR 32 HA TYR 32 -9.525 8.764 0.758 238 HB2 TYR 32 2HB TYR 32 -12.379 8.020 0.090 239 HB3 TYR 32 3HB TYR 32 -11.075 7.128 -0.679 240 HD1 TYR 32 HD1 TYR 32 -12.322 8.163 2.714 241 HD2 TYR 32 HD2 TYR 32 -10.111 5.291 0.450 242 HE1 TYR 32 HE1 TYR 32 -12.135 6.741 4.704 243 HE2 TYR 32 HE2 TYR 32 -9.932 3.866 2.437 244 HH TYR 32 HH TYR 32 -11.799 4.287 5.189 245 HA PRO 33 HA PRO 33 -10.255 9.360 -3.980 246 HB2 PRO 33 2HB PRO 33 -11.991 11.277 -4.935 247 HB3 PRO 33 3HB PRO 33 -12.479 9.603 -4.597 248 HG2 PRO 33 2HG PRO 33 -12.848 12.045 -2.886 249 HG3 PRO 33 3HG PRO 33 -14.002 10.737 -3.242 250 HD2 PRO 33 2HD PRO 33 -12.600 10.822 -0.923 251 HD3 PRO 33 3HD PRO 33 -13.038 9.284 -1.699 252 H GLN 34 H GLN 34 -10.883 12.580 -2.450 253 HA GLN 34 HA GLN 34 -9.061 14.002 -4.102 254 HB2 GLN 34 2HB GLN 34 -10.164 14.713 -1.352 255 HB3 GLN 34 3HB GLN 34 -9.260 15.820 -2.379 256 HG2 GLN 34 2HG GLN 34 -11.928 14.561 -3.089 257 HG3 GLN 34 3HG GLN 34 -11.705 16.200 -2.483 258 HE21 GLN 34 1HE2 GLN 34 -11.330 14.094 -5.225 259 HE22 GLN 34 2HE2 GLN 34 -11.009 15.334 -6.384 260 H ALA 35 H ALA 35 -8.758 12.348 -0.990 261 HA ALA 35 HA ALA 35 -6.160 13.055 -0.245 262 HB1 ALA 35 3HB ALA 35 -6.140 10.975 1.090 263 HB2 ALA 35 1HB ALA 35 -7.551 10.384 0.199 264 HB3 ALA 35 2HB ALA 35 -7.690 11.802 1.236 265 H MET 36 H MET 36 -7.329 10.696 -2.644 266 HA MET 36 HA MET 36 -4.821 9.341 -3.076 267 HB2 MET 36 2HB MET 36 -7.341 9.600 -4.762 268 HB3 MET 36 3HB MET 36 -5.977 8.599 -5.239 269 HG2 MET 36 2HG MET 36 -6.414 7.001 -3.616 270 HG3 MET 36 3HG MET 36 -7.235 8.146 -2.555 271 HE1 MET 36 3HE MET 36 -9.307 6.885 -6.481 272 HE2 MET 36 1HE MET 36 -7.579 6.662 -6.226 273 HE3 MET 36 2HE MET 36 -8.254 8.291 -6.343 274 H LYS 37 H LYS 37 -6.468 12.122 -4.453 275 HA LYS 37 HA LYS 37 -4.609 12.573 -6.604 276 HB2 LYS 37 2HB LYS 37 -6.639 14.537 -5.449 277 HB3 LYS 37 3HB LYS 37 -5.894 14.586 -7.049 278 HG2 LYS 37 2HG LYS 37 -7.029 12.362 -7.535 279 HG3 LYS 37 3HG LYS 37 -7.904 12.570 -6.014 280 HD2 LYS 37 2HD LYS 37 -8.895 14.678 -6.875 281 HD3 LYS 37 3HD LYS 37 -8.004 14.478 -8.388 282 HE2 LYS 37 2HE LYS 37 -9.224 12.280 -8.701 283 HE3 LYS 37 3HE LYS 37 -10.221 12.712 -7.311 284 HZ1 LYS 37 3HZ LYS 37 -10.028 14.176 -9.889 285 HZ2 LYS 37 1HZ LYS 37 -10.866 14.749 -8.544 286 HZ3 LYS 37 2HZ LYS 37 -11.360 13.326 -9.301 287 H HIS 38 H HIS 38 -4.908 13.582 -3.274 288 HA HIS 38 HA HIS 38 -2.837 15.586 -3.345 289 HB2 HIS 38 2HB HIS 38 -4.153 14.096 -1.044 290 HB3 HIS 38 3HB HIS 38 -2.844 15.247 -0.793 291 HD1 HIS 38 HD1 HIS 38 -3.480 17.665 -2.241 292 HD2 HIS 38 HD2 HIS 38 -6.522 15.345 -0.622 293 HE1 HIS 38 HE1 HIS 38 -5.436 19.211 -1.969 294 HE2 HIS 38 HE2 HIS 38 -7.224 17.803 -0.889 295 H TYR 39 H TYR 39 -2.943 12.096 -2.845 296 HA TYR 39 HA TYR 39 -0.126 11.833 -2.316 297 HB2 TYR 39 2HB TYR 39 -2.195 9.791 -3.241 298 HB3 TYR 39 3HB TYR 39 -0.516 9.386 -2.885 299 HD1 TYR 39 HD2 TYR 39 0.108 10.854 -0.449 300 HD2 TYR 39 HD1 TYR 39 -3.529 8.859 -1.511 301 HE1 TYR 39 HE2 TYR 39 -0.436 10.564 1.924 302 HE2 TYR 39 HE1 TYR 39 -4.055 8.574 0.871 303 HH TYR 39 HH TYR 39 -2.873 8.467 3.016 304 H THR 40 H THR 40 -2.162 11.896 -5.206 305 HA THR 40 HA THR 40 -0.209 10.948 -7.046 306 HB THR 40 HB THR 40 -2.722 12.614 -7.560 307 HG1 THR 40 HG1 THR 40 -3.685 10.785 -7.211 308 HG21 THR 40 3HG2 THR 40 -1.187 12.720 -9.511 309 HG22 THR 40 1HG2 THR 40 -2.613 11.743 -9.875 310 HG23 THR 40 2HG2 THR 40 -1.073 10.958 -9.517 311 H GLU 41 H GLU 41 -1.154 14.232 -5.968 312 HA GLU 41 HA GLU 41 0.735 15.587 -7.672 313 HB2 GLU 41 2HB GLU 41 0.174 17.617 -6.478 314 HB3 GLU 41 3HB GLU 41 -1.306 16.726 -6.818 315 HG2 GLU 41 2HG GLU 41 -1.336 15.897 -4.488 316 HG3 GLU 41 3HG GLU 41 0.133 16.809 -4.149 317 H ALA 42 H ALA 42 0.803 14.186 -4.444 318 HA ALA 42 HA ALA 42 3.367 15.134 -3.659 319 HB1 ALA 42 3HB ALA 42 1.783 14.154 -2.061 320 HB2 ALA 42 1HB ALA 42 3.332 13.309 -2.016 321 HB3 ALA 42 2HB ALA 42 1.948 12.579 -2.838 322 H ILE 43 H ILE 43 2.265 12.436 -5.639 323 HA ILE 43 HA ILE 43 4.780 11.175 -6.085 324 HB ILE 43 HB ILE 43 2.005 10.940 -7.195 325 HG12 ILE 43 2HG1 ILE 43 2.610 8.465 -7.167 326 HG13 ILE 43 3HG1 ILE 43 4.189 8.923 -6.550 327 HG21 ILE 43 1HG2 ILE 43 4.298 10.119 -9.004 328 HG22 ILE 43 2HG2 ILE 43 3.091 11.362 -9.340 329 HG23 ILE 43 3HG2 ILE 43 2.605 9.669 -9.233 330 HD11 ILE 43 3HD1 ILE 43 3.121 9.830 -4.549 331 HD12 ILE 43 1HD1 ILE 43 2.741 8.126 -4.800 332 HD13 ILE 43 2HD1 ILE 43 1.545 9.362 -5.191 333 H LYS 44 H LYS 44 3.079 13.889 -7.613 334 HA LYS 44 HA LYS 44 4.838 14.193 -9.847 335 HB2 LYS 44 2HB LYS 44 3.138 16.345 -8.521 336 HB3 LYS 44 3HB LYS 44 3.835 16.419 -10.135 337 HG2 LYS 44 2HG LYS 44 1.653 14.557 -9.183 338 HG3 LYS 44 3HG LYS 44 1.460 15.931 -10.270 339 HD2 LYS 44 2HD LYS 44 2.784 14.778 -11.997 340 HD3 LYS 44 3HD LYS 44 3.095 13.433 -10.893 341 HE2 LYS 44 2HE LYS 44 0.668 12.937 -10.830 342 HE3 LYS 44 3HE LYS 44 0.376 14.264 -11.959 343 HZ1 LYS 44 3HZ LYS 44 2.040 11.872 -12.527 344 HZ2 LYS 44 1HZ LYS 44 1.697 13.118 -13.613 345 HZ3 LYS 44 2HZ LYS 44 0.462 12.109 -13.063 346 H ARG 45 H ARG 45 5.125 14.947 -6.526 347 HA ARG 45 HA ARG 45 7.404 16.764 -6.841 348 HB2 ARG 45 2HB ARG 45 5.950 15.760 -4.355 349 HB3 ARG 45 3HB ARG 45 7.248 16.951 -4.363 350 HG2 ARG 45 2HG ARG 45 4.568 17.314 -5.733 351 HG3 ARG 45 3HG ARG 45 4.996 17.963 -4.152 352 HD2 ARG 45 2HD ARG 45 6.742 19.346 -5.149 353 HD3 ARG 45 3HD ARG 45 6.436 18.629 -6.736 354 HE ARG 45 HE ARG 45 4.088 19.813 -5.636 355 HH11 ARG 45 1HH1 ARG 45 7.064 20.597 -7.338 356 HH12 ARG 45 2HH1 ARG 45 6.423 22.050 -8.037 357 HH21 ARG 45 1HH2 ARG 45 3.249 21.705 -6.576 358 HH22 ARG 45 2HH2 ARG 45 4.257 22.676 -7.604 359 H ASN 46 H ASN 46 6.633 13.478 -5.791 360 HA ASN 46 HA ASN 46 9.444 12.719 -6.001 361 HB2 ASN 46 2HB ASN 46 9.228 11.324 -3.818 362 HB3 ASN 46 3HB ASN 46 9.549 13.039 -3.687 363 HD21 ASN 46 1HD2 ASN 46 6.551 11.023 -3.913 364 HD22 ASN 46 2HD2 ASN 46 5.786 11.787 -2.582 365 HA PRO 47 HA PRO 47 6.666 9.671 -8.127 366 HB2 PRO 47 2HB PRO 47 8.283 9.284 -10.320 367 HB3 PRO 47 3HB PRO 47 7.182 10.669 -10.174 368 HG2 PRO 47 2HG PRO 47 10.135 10.560 -9.612 369 HG3 PRO 47 3HG PRO 47 9.210 11.768 -10.538 370 HD2 PRO 47 2HD PRO 47 9.931 12.211 -7.963 371 HD3 PRO 47 3HD PRO 47 8.392 12.818 -8.620 372 H LYS 48 H LYS 48 10.092 9.525 -7.296 373 HA LYS 48 HA LYS 48 10.396 6.685 -7.758 374 HB2 LYS 48 2HB LYS 48 12.230 8.539 -6.169 375 HB3 LYS 48 3HB LYS 48 12.641 6.968 -6.849 376 HG2 LYS 48 2HG LYS 48 11.981 9.468 -8.440 377 HG3 LYS 48 3HG LYS 48 13.596 8.806 -8.169 378 HD2 LYS 48 2HD LYS 48 12.934 6.747 -9.402 379 HD3 LYS 48 3HD LYS 48 11.339 7.448 -9.698 380 HE2 LYS 48 2HE LYS 48 12.380 9.279 -10.986 381 HE3 LYS 48 3HE LYS 48 13.979 8.597 -10.674 382 HZ1 LYS 48 3HZ LYS 48 11.803 7.210 -12.148 383 HZ2 LYS 48 1HZ LYS 48 13.381 6.640 -11.930 384 HZ3 LYS 48 2HZ LYS 48 13.095 8.017 -12.870 385 H ASP 49 H ASP 49 9.107 8.597 -5.265 386 HA ASP 49 HA ASP 49 9.668 6.932 -2.996 387 HB2 ASP 49 2HB ASP 49 9.037 9.494 -3.051 388 HB3 ASP 49 3HB ASP 49 7.378 8.940 -3.142 389 H ALA 50 H ALA 50 8.996 4.870 -3.337 390 HA ALA 50 HA ALA 50 6.632 4.174 -4.799 391 HB1 ALA 50 3HB ALA 50 8.690 2.869 -4.913 392 HB2 ALA 50 1HB ALA 50 7.340 1.871 -4.380 393 HB3 ALA 50 2HB ALA 50 8.530 2.439 -3.210 394 H LYS 51 H LYS 51 7.468 4.179 -1.337 395 HA LYS 51 HA LYS 51 5.114 2.885 -0.440 396 HB2 LYS 51 2HB LYS 51 5.571 3.712 1.828 397 HB3 LYS 51 3HB LYS 51 6.977 2.973 1.092 398 HG2 LYS 51 2HG LYS 51 6.608 5.979 1.198 399 HG3 LYS 51 3HG LYS 51 7.350 5.062 2.512 400 HD2 LYS 51 2HD LYS 51 9.002 4.163 0.757 401 HD3 LYS 51 3HD LYS 51 8.356 5.392 -0.333 402 HE2 LYS 51 2HE LYS 51 9.006 7.135 1.359 403 HE3 LYS 51 3HE LYS 51 9.785 5.860 2.303 404 HZ1 LYS 51 3HZ LYS 51 10.511 6.831 -0.399 405 HZ2 LYS 51 1HZ LYS 51 11.105 5.375 0.230 406 HZ3 LYS 51 2HZ LYS 51 11.454 6.836 1.001 407 H LEU 52 H LEU 52 5.594 6.078 -1.602 408 HA LEU 52 HA LEU 52 3.193 7.218 -0.562 409 HB2 LEU 52 2HB LEU 52 5.410 8.115 -2.110 410 HB3 LEU 52 3HB LEU 52 4.019 8.392 -3.126 411 HG LEU 52 HG LEU 52 4.649 10.374 -1.732 412 HD11 LEU 52 1HD1 LEU 52 1.899 9.256 -1.077 413 HD12 LEU 52 2HD1 LEU 52 2.336 10.185 -2.513 414 HD13 LEU 52 3HD1 LEU 52 2.398 10.945 -0.927 415 HD21 LEU 52 3HD2 LEU 52 5.468 9.172 0.260 416 HD22 LEU 52 1HD2 LEU 52 3.824 8.651 0.642 417 HD23 LEU 52 2HD2 LEU 52 4.248 10.362 0.694 418 H TYR 53 H TYR 53 3.929 5.360 -3.518 419 HA TYR 53 HA TYR 53 1.318 5.461 -4.682 420 HB2 TYR 53 2HB TYR 53 3.635 3.516 -5.009 421 HB3 TYR 53 3HB TYR 53 2.108 3.268 -5.847 422 HD1 TYR 53 HD1 TYR 53 1.366 4.836 -7.612 423 HD2 TYR 53 HD2 TYR 53 5.191 5.268 -5.744 424 HE1 TYR 53 HE1 TYR 53 2.098 6.306 -9.436 425 HE2 TYR 53 HE2 TYR 53 5.915 6.738 -7.573 426 HH TYR 53 HH TYR 53 5.282 7.128 -10.006 427 H SER 54 H SER 54 2.696 3.567 -2.100 428 HA SER 54 HA SER 54 0.971 1.358 -2.012 429 HB2 SER 54 2HB SER 54 2.315 2.776 0.325 430 HB3 SER 54 3HB SER 54 1.720 1.113 0.318 431 HG SER 54 HG SER 54 3.430 1.622 -1.755 432 H ASN 55 H ASN 55 0.569 4.646 -0.808 433 HA ASN 55 HA ASN 55 -1.743 4.210 0.810 434 HB2 ASN 55 2HB ASN 55 -0.833 6.805 -0.511 435 HB3 ASN 55 3HB ASN 55 -2.009 6.669 0.788 436 HD21 ASN 55 1HD2 ASN 55 1.310 6.760 -0.025 437 HD22 ASN 55 2HD2 ASN 55 1.941 6.700 1.578 438 H ARG 56 H ARG 56 -1.247 5.175 -2.557 439 HA ARG 56 HA ARG 56 -3.902 5.630 -3.372 440 HB2 ARG 56 2HB ARG 56 -1.466 4.619 -4.912 441 HB3 ARG 56 3HB ARG 56 -3.004 4.963 -5.697 442 HG2 ARG 56 2HG ARG 56 -2.856 7.297 -5.216 443 HG3 ARG 56 3HG ARG 56 -1.518 7.059 -4.087 444 HD2 ARG 56 2HD ARG 56 -0.884 8.001 -6.379 445 HD3 ARG 56 3HD ARG 56 0.021 6.584 -5.851 446 HE ARG 56 HE ARG 56 -1.048 5.276 -7.469 447 HH11 ARG 56 1HH1 ARG 56 -2.208 8.604 -7.679 448 HH12 ARG 56 2HH1 ARG 56 -2.892 8.373 -9.256 449 HH21 ARG 56 1HH2 ARG 56 -1.979 4.997 -9.500 450 HH22 ARG 56 2HH2 ARG 56 -2.766 6.335 -10.287 451 H ALA 57 H ALA 57 -1.923 2.670 -3.471 452 HA ALA 57 HA ALA 57 -3.800 0.858 -4.488 453 HB1 ALA 57 3HB ALA 57 -1.385 0.400 -4.374 454 HB2 ALA 57 1HB ALA 57 -2.302 -0.893 -3.602 455 HB3 ALA 57 2HB ALA 57 -1.468 0.313 -2.613 456 H ALA 58 H ALA 58 -3.160 1.883 -1.173 457 HA ALA 58 HA ALA 58 -4.811 0.029 0.202 458 HB1 ALA 58 3HB ALA 58 -3.893 2.793 1.068 459 HB2 ALA 58 1HB ALA 58 -2.998 1.291 1.288 460 HB3 ALA 58 2HB ALA 58 -4.530 1.532 2.131 461 H CYS 59 H CYS 59 -5.489 3.110 -1.362 462 HA CYS 59 HA CYS 59 -8.139 3.403 -0.228 463 HB2 CYS 59 2HB CYS 59 -6.811 4.859 -2.551 464 HB3 CYS 59 3HB CYS 59 -8.327 5.323 -1.777 465 HG CYS 59 HG CYS 59 -5.616 5.057 0.222 466 H TYR 60 H TYR 60 -6.726 2.315 -3.320 467 HA TYR 60 HA TYR 60 -9.018 2.115 -4.894 468 HB2 TYR 60 2HB TYR 60 -6.472 0.461 -4.993 469 HB3 TYR 60 3HB TYR 60 -7.724 0.366 -6.225 470 HD1 TYR 60 HD1 TYR 60 -8.454 3.270 -6.499 471 HD2 TYR 60 HD2 TYR 60 -4.641 1.358 -6.195 472 HE1 TYR 60 HE1 TYR 60 -7.418 5.115 -7.749 473 HE2 TYR 60 HE2 TYR 60 -3.609 3.207 -7.434 474 HH TYR 60 HH TYR 60 -4.301 4.953 -9.039 475 H THR 61 H THR 61 -7.902 -0.090 -2.405 476 HA THR 61 HA THR 61 -9.429 -2.373 -2.979 477 HB THR 61 HB THR 61 -9.309 -2.873 -0.532 478 HG1 THR 61 HG1 THR 61 -7.763 -0.738 0.181 479 HG21 THR 61 3HG2 THR 61 -6.701 -1.767 -1.649 480 HG22 THR 61 1HG2 THR 61 -7.340 -3.391 -1.926 481 HG23 THR 61 2HG2 THR 61 -6.848 -2.900 -0.304 482 H LYS 62 H LYS 62 -10.222 0.571 -1.147 483 HA LYS 62 HA LYS 62 -12.800 -0.237 -0.208 484 HB2 LYS 62 2HB LYS 62 -11.634 2.569 -0.529 485 HB3 LYS 62 3HB LYS 62 -13.038 2.152 0.451 486 HG2 LYS 62 2HG LYS 62 -10.211 1.160 0.933 487 HG3 LYS 62 3HG LYS 62 -10.988 2.491 1.793 488 HD2 LYS 62 2HD LYS 62 -12.746 0.865 2.587 489 HD3 LYS 62 3HD LYS 62 -11.814 -0.435 1.836 490 HE2 LYS 62 2HE LYS 62 -9.915 0.045 3.317 491 HE3 LYS 62 3HE LYS 62 -10.795 1.399 4.036 492 HZ1 LYS 62 3HZ LYS 62 -10.945 -0.558 5.427 493 HZ2 LYS 62 1HZ LYS 62 -11.595 -1.459 4.157 494 HZ3 LYS 62 2HZ LYS 62 -12.473 -0.178 4.817 495 H LEU 63 H LEU 63 -11.619 1.340 -3.056 496 HA LEU 63 HA LEU 63 -14.245 2.182 -4.021 497 HB2 LEU 63 2HB LEU 63 -11.482 2.484 -5.270 498 HB3 LEU 63 3HB LEU 63 -12.957 3.268 -5.816 499 HG LEU 63 HG LEU 63 -11.534 3.795 -3.177 500 HD11 LEU 63 1HD1 LEU 63 -11.778 5.522 -5.657 501 HD12 LEU 63 2HD1 LEU 63 -10.320 4.725 -5.059 502 HD13 LEU 63 3HD1 LEU 63 -11.060 6.018 -4.120 503 HD21 LEU 63 3HD2 LEU 63 -13.930 4.047 -2.855 504 HD22 LEU 63 1HD2 LEU 63 -14.051 5.084 -4.280 505 HD23 LEU 63 2HD2 LEU 63 -13.159 5.630 -2.857 506 H LEU 64 H LEU 64 -12.706 -0.725 -3.984 507 HA LEU 64 HA LEU 64 -12.893 -2.668 -5.127 508 HB2 LEU 64 2HB LEU 64 -15.239 -1.216 -6.419 509 HB3 LEU 64 3HB LEU 64 -14.843 -2.875 -6.819 510 HG LEU 64 HG LEU 64 -16.662 -2.897 -5.245 511 HD11 LEU 64 1HD1 LEU 64 -14.148 -3.733 -3.784 512 HD12 LEU 64 2HD1 LEU 64 -15.024 -4.686 -4.985 513 HD13 LEU 64 3HD1 LEU 64 -15.793 -4.286 -3.452 514 HD21 LEU 64 3HD2 LEU 64 -14.979 -1.263 -3.323 515 HD22 LEU 64 1HD2 LEU 64 -16.583 -1.933 -3.001 516 HD23 LEU 64 2HD2 LEU 64 -16.380 -0.685 -4.227 517 H GLU 65 H GLU 65 -11.282 -0.374 -6.208 518 HA GLU 65 HA GLU 65 -10.840 -1.201 -9.001 519 HB2 GLU 65 2HB GLU 65 -9.783 1.167 -7.367 520 HB3 GLU 65 3HB GLU 65 -9.345 0.845 -9.044 521 HG2 GLU 65 2HG GLU 65 -11.654 1.163 -9.753 522 HG3 GLU 65 3HG GLU 65 -12.171 1.355 -8.082 523 H PHE 66 H PHE 66 -10.237 -3.123 -7.132 524 HA PHE 66 HA PHE 66 -7.707 -3.257 -6.005 525 HB2 PHE 66 2HB PHE 66 -9.462 -5.457 -7.165 526 HB3 PHE 66 3HB PHE 66 -7.958 -5.799 -6.321 527 HD1 PHE 66 HD2 PHE 66 -11.453 -4.668 -5.915 528 HD2 PHE 66 HD1 PHE 66 -7.769 -5.501 -3.896 529 HE1 PHE 66 HE2 PHE 66 -12.629 -4.697 -3.752 530 HE2 PHE 66 HE1 PHE 66 -8.962 -5.529 -1.747 531 HZ PHE 66 HZ PHE 66 -11.391 -5.126 -1.673 532 H GLN 67 H GLN 67 -8.676 -3.837 -9.358 533 HA GLN 67 HA GLN 67 -6.382 -4.961 -10.459 534 HB2 GLN 67 2HB GLN 67 -8.351 -2.969 -11.655 535 HB3 GLN 67 3HB GLN 67 -7.096 -3.760 -12.602 536 HG2 GLN 67 2HG GLN 67 -9.336 -5.172 -11.132 537 HG3 GLN 67 3HG GLN 67 -9.287 -4.838 -12.862 538 HE21 GLN 67 1HE2 GLN 67 -8.032 -6.847 -10.293 539 HE22 GLN 67 2HE2 GLN 67 -7.227 -7.992 -11.309 540 H LEU 68 H LEU 68 -7.117 -1.550 -9.753 541 HA LEU 68 HA LEU 68 -4.672 -0.534 -10.869 542 HB2 LEU 68 2HB LEU 68 -6.518 0.834 -8.876 543 HB3 LEU 68 3HB LEU 68 -5.275 1.601 -9.851 544 HG LEU 68 HG LEU 68 -7.977 0.547 -10.727 545 HD11 LEU 68 1HD1 LEU 68 -7.887 2.845 -9.925 546 HD12 LEU 68 2HD1 LEU 68 -8.241 2.803 -11.649 547 HD13 LEU 68 3HD1 LEU 68 -6.620 3.234 -11.094 548 HD21 LEU 68 3HD2 LEU 68 -5.691 1.215 -12.608 549 HD22 LEU 68 1HD2 LEU 68 -7.376 0.974 -13.080 550 HD23 LEU 68 2HD2 LEU 68 -6.461 -0.362 -12.388 551 H ALA 69 H ALA 69 -5.817 -1.446 -7.642 552 HA ALA 69 HA ALA 69 -3.637 -0.620 -6.077 553 HB1 ALA 69 3HB ALA 69 -5.785 -1.354 -5.108 554 HB2 ALA 69 1HB ALA 69 -4.436 -2.242 -4.395 555 HB3 ALA 69 2HB ALA 69 -5.457 -3.012 -5.614 556 H LEU 70 H LEU 70 -4.090 -3.508 -8.050 557 HA LEU 70 HA LEU 70 -1.714 -4.881 -7.206 558 HB2 LEU 70 2HB LEU 70 -3.377 -5.252 -9.731 559 HB3 LEU 70 3HB LEU 70 -2.139 -6.359 -9.158 560 HG LEU 70 HG LEU 70 -4.762 -5.762 -7.735 561 HD11 LEU 70 1HD1 LEU 70 -3.922 -8.214 -9.298 562 HD12 LEU 70 2HD1 LEU 70 -5.140 -7.024 -9.768 563 HD13 LEU 70 3HD1 LEU 70 -5.409 -8.046 -8.360 564 HD21 LEU 70 3HD2 LEU 70 -3.012 -6.310 -6.119 565 HD22 LEU 70 1HD2 LEU 70 -2.630 -7.790 -7.005 566 HD23 LEU 70 2HD2 LEU 70 -4.203 -7.602 -6.223 567 H LYS 71 H LYS 71 -2.556 -3.035 -10.201 568 HA LYS 71 HA LYS 71 -0.033 -3.499 -11.444 569 HB2 LYS 71 2HB LYS 71 -0.751 -2.007 -13.215 570 HB3 LYS 71 3HB LYS 71 -2.088 -3.044 -12.740 571 HG2 LYS 71 2HG LYS 71 -3.038 -1.147 -11.410 572 HG3 LYS 71 3HG LYS 71 -1.726 -0.123 -11.997 573 HD2 LYS 71 2HD LYS 71 -3.766 0.266 -13.310 574 HD3 LYS 71 3HD LYS 71 -2.511 -0.440 -14.329 575 HE2 LYS 71 2HE LYS 71 -3.587 -2.640 -14.156 576 HE3 LYS 71 3HE LYS 71 -4.806 -1.977 -13.065 577 HZ1 LYS 71 3HZ LYS 71 -5.590 -0.554 -14.844 578 HZ2 LYS 71 1HZ LYS 71 -5.623 -2.169 -15.337 579 HZ3 LYS 71 2HZ LYS 71 -4.404 -1.140 -15.889 580 H ASP 72 H ASP 72 -1.260 -0.792 -9.532 581 HA ASP 72 HA ASP 72 0.915 0.978 -9.793 582 HB2 ASP 72 2HB ASP 72 -1.160 0.563 -7.606 583 HB3 ASP 72 3HB ASP 72 0.139 1.735 -7.384 584 H CYS 73 H CYS 73 0.409 -1.855 -7.744 585 HA CYS 73 HA CYS 73 2.797 -1.499 -6.170 586 HB2 CYS 73 2HB CYS 73 0.766 -2.663 -5.318 587 HB3 CYS 73 3HB CYS 73 1.043 -3.966 -6.467 588 HG CYS 73 HG CYS 73 3.798 -4.101 -5.141 589 H GLU 74 H GLU 74 1.947 -3.263 -9.135 590 HA GLU 74 HA GLU 74 4.185 -4.990 -9.310 591 HB2 GLU 74 2HB GLU 74 2.638 -3.770 -11.640 592 HB3 GLU 74 3HB GLU 74 3.686 -5.181 -11.729 593 HG2 GLU 74 2HG GLU 74 1.044 -4.967 -10.266 594 HG3 GLU 74 3HG GLU 74 1.364 -5.861 -11.744 595 H GLU 75 H GLU 75 3.724 -1.657 -10.371 596 HA GLU 75 HA GLU 75 6.426 -1.450 -11.464 597 HB2 GLU 75 2HB GLU 75 5.795 0.885 -11.966 598 HB3 GLU 75 3HB GLU 75 4.620 -0.267 -12.596 599 HG2 GLU 75 2HG GLU 75 3.135 0.207 -10.664 600 HG3 GLU 75 3HG GLU 75 4.304 1.386 -10.070 601 H CYS 76 H CYS 76 4.715 -0.695 -8.514 602 HA CYS 76 HA CYS 76 6.385 1.250 -7.360 603 HB2 CYS 76 2HB CYS 76 4.092 0.610 -6.578 604 HB3 CYS 76 3HB CYS 76 4.761 -0.872 -5.909 605 HG CYS 76 HG CYS 76 6.488 0.622 -4.193 606 H ILE 77 H ILE 77 6.586 -2.275 -7.362 607 HA ILE 77 HA ILE 77 8.771 -2.548 -5.552 608 HB ILE 77 HB ILE 77 7.070 -4.332 -6.184 609 HG12 ILE 77 2HG1 ILE 77 9.345 -4.827 -5.021 610 HG13 ILE 77 3HG1 ILE 77 8.447 -6.175 -5.692 611 HG21 ILE 77 1HG2 ILE 77 7.452 -5.737 -8.169 612 HG22 ILE 77 2HG2 ILE 77 8.731 -4.642 -8.701 613 HG23 ILE 77 3HG2 ILE 77 7.066 -4.068 -8.597 614 HD11 ILE 77 3HD1 ILE 77 10.809 -6.413 -6.089 615 HD12 ILE 77 1HD1 ILE 77 10.866 -4.861 -6.920 616 HD13 ILE 77 2HD1 ILE 77 9.967 -6.207 -7.623 617 H GLN 78 H GLN 78 8.523 -1.715 -8.928 618 HA GLN 78 HA GLN 78 11.313 -2.225 -9.585 619 HB2 GLN 78 2HB GLN 78 9.116 -0.772 -11.127 620 HB3 GLN 78 3HB GLN 78 10.709 -1.156 -11.770 621 HG2 GLN 78 2HG GLN 78 8.643 -3.196 -10.881 622 HG3 GLN 78 3HG GLN 78 8.962 -2.723 -12.548 623 HE21 GLN 78 1HE2 GLN 78 10.200 -4.455 -9.778 624 HE22 GLN 78 2HE2 GLN 78 11.446 -5.307 -10.618 625 H LEU 79 H LEU 79 9.324 0.447 -8.504 626 HA LEU 79 HA LEU 79 11.176 2.577 -9.015 627 HB2 LEU 79 2HB LEU 79 8.829 2.410 -7.076 628 HB3 LEU 79 3HB LEU 79 9.661 3.896 -7.520 629 HG LEU 79 HG LEU 79 8.117 2.148 -9.478 630 HD11 LEU 79 1HD1 LEU 79 6.378 3.871 -9.422 631 HD12 LEU 79 2HD1 LEU 79 7.247 4.724 -8.140 632 HD13 LEU 79 3HD1 LEU 79 6.591 3.112 -7.845 633 HD21 LEU 79 3HD2 LEU 79 9.309 4.917 -9.810 634 HD22 LEU 79 1HD2 LEU 79 8.309 4.073 -10.996 635 HD23 LEU 79 2HD2 LEU 79 9.888 3.426 -10.560 636 H GLU 80 H GLU 80 10.099 0.985 -6.029 637 HA GLU 80 HA GLU 80 12.742 1.030 -4.832 638 HB2 GLU 80 2HB GLU 80 12.066 3.237 -4.157 639 HB3 GLU 80 3HB GLU 80 10.435 2.715 -3.794 640 HG2 GLU 80 2HG GLU 80 11.390 1.380 -1.859 641 HG3 GLU 80 3HG GLU 80 12.937 2.169 -2.185 642 HA PRO 81 HA PRO 81 10.360 -2.830 -4.009 643 HB2 PRO 81 2HB PRO 81 12.534 -4.398 -3.342 644 HB3 PRO 81 3HB PRO 81 12.073 -4.021 -5.014 645 HG2 PRO 81 2HG PRO 81 14.166 -2.704 -3.305 646 HG3 PRO 81 3HG PRO 81 14.276 -3.245 -4.997 647 HD2 PRO 81 2HD PRO 81 13.848 -0.653 -4.382 648 HD3 PRO 81 3HD PRO 81 13.083 -1.398 -5.806 649 H THR 82 H THR 82 12.220 -0.937 -1.819 650 HA THR 82 HA THR 82 11.562 -2.506 0.559 651 HB THR 82 HB THR 82 12.791 -0.523 1.722 652 HG1 THR 82 HG1 THR 82 13.008 1.069 0.313 653 HG21 THR 82 3HG2 THR 82 13.869 -2.719 1.387 654 HG22 THR 82 1HG2 THR 82 15.024 -1.409 1.134 655 HG23 THR 82 2HG2 THR 82 14.333 -2.254 -0.253 656 H PHE 83 H PHE 83 9.551 -0.786 -1.218 657 HA PHE 83 HA PHE 83 8.282 0.856 0.773 658 HB2 PHE 83 2HB PHE 83 6.503 1.145 -0.790 659 HB3 PHE 83 3HB PHE 83 7.955 1.067 -1.764 660 HD1 PHE 83 HD1 PHE 83 8.488 -1.307 -2.848 661 HD2 PHE 83 HD2 PHE 83 4.672 -0.189 -1.332 662 HE1 PHE 83 HE1 PHE 83 7.438 -3.061 -4.198 663 HE2 PHE 83 HE2 PHE 83 3.616 -1.939 -2.704 664 HZ PHE 83 HZ PHE 83 5.001 -3.379 -4.142 665 H ILE 84 H ILE 84 7.630 -0.136 2.668 666 HA ILE 84 HA ILE 84 7.497 -3.041 2.656 667 HB ILE 84 HB ILE 84 7.279 -1.204 5.085 668 HG12 ILE 84 2HG1 ILE 84 9.765 -2.395 3.756 669 HG13 ILE 84 3HG1 ILE 84 9.355 -0.686 3.856 670 HG21 ILE 84 1HG2 ILE 84 8.049 -3.180 6.332 671 HG22 ILE 84 2HG2 ILE 84 8.104 -4.121 4.841 672 HG23 ILE 84 3HG2 ILE 84 6.555 -3.539 5.460 673 HD11 ILE 84 3HD1 ILE 84 11.082 -1.251 5.431 674 HD12 ILE 84 1HD1 ILE 84 10.055 -2.481 6.170 675 HD13 ILE 84 2HD1 ILE 84 9.616 -0.773 6.284 676 H LYS 85 H LYS 85 5.279 -0.390 3.488 677 HA LYS 85 HA LYS 85 3.218 -2.159 4.495 678 HB2 LYS 85 2HB LYS 85 3.424 0.839 4.134 679 HB3 LYS 85 3HB LYS 85 1.851 0.111 4.442 680 HG2 LYS 85 2HG LYS 85 2.840 0.902 6.527 681 HG3 LYS 85 3HG LYS 85 2.681 -0.856 6.548 682 HD2 LYS 85 2HD LYS 85 5.131 -1.018 5.945 683 HD3 LYS 85 3HD LYS 85 5.236 0.740 6.090 684 HE2 LYS 85 2HE LYS 85 4.516 -1.212 8.299 685 HE3 LYS 85 3HE LYS 85 6.033 -0.324 8.137 686 HZ1 LYS 85 3HZ LYS 85 4.585 0.718 9.733 687 HZ2 LYS 85 1HZ LYS 85 3.353 0.866 8.591 688 HZ3 LYS 85 2HZ LYS 85 4.789 1.738 8.407 689 H GLY 86 H GLY 86 4.079 -0.909 1.398 690 HA2 GLY 86 2HA GLY 86 1.588 -1.166 0.068 691 HA3 GLY 86 3HA GLY 86 3.176 -1.244 -0.677 692 H TYR 87 H TYR 87 4.146 -3.488 0.860 693 HA TYR 87 HA TYR 87 3.084 -5.743 -0.478 694 HB2 TYR 87 2HB TYR 87 4.859 -5.485 1.986 695 HB3 TYR 87 3HB TYR 87 4.346 -7.057 1.379 696 HD1 TYR 87 HD1 TYR 87 5.949 -3.909 0.113 697 HD2 TYR 87 HD2 TYR 87 5.792 -8.158 -0.134 698 HE1 TYR 87 HE1 TYR 87 7.836 -3.881 -1.444 699 HE2 TYR 87 HE2 TYR 87 7.685 -8.130 -1.710 700 HH TYR 87 HH TYR 87 9.576 -5.321 -2.265 701 H THR 88 H THR 88 2.430 -4.359 2.727 702 HA THR 88 HA THR 88 0.746 -6.384 3.736 703 HB THR 88 HB THR 88 0.576 -3.403 4.389 704 HG1 THR 88 HG1 THR 88 2.581 -5.236 4.835 705 HG21 THR 88 3HG2 THR 88 -1.238 -4.738 5.390 706 HG22 THR 88 1HG2 THR 88 -0.099 -4.218 6.639 707 HG23 THR 88 2HG2 THR 88 -0.058 -5.879 6.042 708 H ARG 89 H ARG 89 0.048 -3.505 1.726 709 HA ARG 89 HA ARG 89 -2.833 -3.843 1.788 710 HB2 ARG 89 2HB ARG 89 -1.286 -2.113 -0.192 711 HB3 ARG 89 3HB ARG 89 -2.961 -1.928 0.316 712 HG2 ARG 89 2HG ARG 89 -0.467 -1.341 1.923 713 HG3 ARG 89 3HG ARG 89 -1.662 -0.188 1.343 714 HD2 ARG 89 2HD ARG 89 -3.315 -1.036 2.913 715 HD3 ARG 89 3HD ARG 89 -2.235 -2.348 3.409 716 HE ARG 89 HE ARG 89 -1.458 0.475 3.807 717 HH11 ARG 89 1HH1 ARG 89 -2.207 -2.649 5.240 718 HH12 ARG 89 2HH1 ARG 89 -1.622 -2.205 6.808 719 HH21 ARG 89 1HH2 ARG 89 -0.689 1.043 5.867 720 HH22 ARG 89 2HH2 ARG 89 -0.758 -0.111 7.167 721 H LYS 90 H LYS 90 -0.198 -4.684 -0.359 722 HA LYS 90 HA LYS 90 -1.592 -5.457 -2.680 723 HB2 LYS 90 2HB LYS 90 0.837 -5.037 -2.676 724 HB3 LYS 90 3HB LYS 90 1.097 -6.363 -1.548 725 HG2 LYS 90 2HG LYS 90 1.749 -7.025 -3.794 726 HG3 LYS 90 3HG LYS 90 0.357 -7.976 -3.260 727 HD2 LYS 90 2HD LYS 90 -1.150 -6.554 -4.600 728 HD3 LYS 90 3HD LYS 90 0.219 -5.554 -5.105 729 HE2 LYS 90 2HE LYS 90 -0.228 -8.484 -5.752 730 HE3 LYS 90 3HE LYS 90 -0.312 -7.122 -6.873 731 HZ1 LYS 90 3HZ LYS 90 2.097 -8.118 -5.469 732 HZ2 LYS 90 1HZ LYS 90 2.056 -6.703 -6.387 733 HZ3 LYS 90 2HZ LYS 90 1.778 -8.190 -7.121 734 H ALA 91 H ALA 91 -0.476 -7.239 0.158 735 HA ALA 91 HA ALA 91 -1.337 -9.821 -0.634 736 HB1 ALA 91 3HB ALA 91 -0.859 -10.413 1.696 737 HB2 ALA 91 1HB ALA 91 -0.735 -8.700 2.118 738 HB3 ALA 91 2HB ALA 91 0.428 -9.426 1.006 739 H ALA 92 H ALA 92 -2.818 -7.238 1.321 740 HA ALA 92 HA ALA 92 -5.228 -8.545 2.009 741 HB1 ALA 92 3HB ALA 92 -4.725 -5.575 1.602 742 HB2 ALA 92 1HB ALA 92 -4.476 -6.477 3.098 743 HB3 ALA 92 2HB ALA 92 -6.106 -6.284 2.448 744 H ALA 93 H ALA 93 -4.222 -6.856 -0.928 745 HA ALA 93 HA ALA 93 -6.776 -6.853 -2.229 746 HB1 ALA 93 3HB ALA 93 -5.513 -6.306 -4.266 747 HB2 ALA 93 1HB ALA 93 -3.992 -6.691 -3.445 748 HB3 ALA 93 2HB ALA 93 -4.969 -5.326 -2.905 749 H LEU 94 H LEU 94 -3.950 -9.023 -2.298 750 HA LEU 94 HA LEU 94 -4.840 -10.916 -4.165 751 HB2 LEU 94 2HB LEU 94 -2.954 -11.224 -1.793 752 HB3 LEU 94 3HB LEU 94 -3.203 -12.485 -2.995 753 HG LEU 94 HG LEU 94 -2.084 -9.715 -3.587 754 HD11 LEU 94 1HD1 LEU 94 -0.633 -12.373 -3.423 755 HD12 LEU 94 2HD1 LEU 94 -0.508 -11.039 -2.273 756 HD13 LEU 94 3HD1 LEU 94 0.068 -10.829 -3.924 757 HD21 LEU 94 3HD2 LEU 94 -2.391 -12.131 -5.396 758 HD22 LEU 94 1HD2 LEU 94 -1.557 -10.629 -5.811 759 HD23 LEU 94 2HD2 LEU 94 -3.291 -10.611 -5.503 760 H GLU 95 H GLU 95 -5.371 -10.657 -0.689 761 HA GLU 95 HA GLU 95 -6.752 -12.991 -0.093 762 HB2 GLU 95 2HB GLU 95 -6.096 -11.277 1.563 763 HB3 GLU 95 3HB GLU 95 -7.270 -10.157 0.884 764 HG2 GLU 95 2HG GLU 95 -9.055 -11.916 1.517 765 HG3 GLU 95 3HG GLU 95 -7.794 -12.673 2.487 766 H ALA 96 H ALA 96 -7.898 -10.035 -1.721 767 HA ALA 96 HA ALA 96 -10.690 -10.815 -1.786 768 HB1 ALA 96 3HB ALA 96 -10.039 -8.440 -1.713 769 HB2 ALA 96 1HB ALA 96 -10.989 -8.788 -3.159 770 HB3 ALA 96 2HB ALA 96 -9.236 -8.600 -3.276 771 H MET 97 H MET 97 -7.881 -11.521 -3.651 772 HA MET 97 HA MET 97 -9.397 -12.383 -6.036 773 HB2 MET 97 2HB MET 97 -6.386 -12.464 -5.486 774 HB3 MET 97 3HB MET 97 -7.175 -12.783 -7.028 775 HG2 MET 97 2HG MET 97 -7.090 -10.140 -5.571 776 HG3 MET 97 3HG MET 97 -6.194 -10.568 -7.034 777 HE1 MET 97 3HE MET 97 -8.924 -7.918 -8.163 778 HE2 MET 97 1HE MET 97 -7.200 -8.275 -8.159 779 HE3 MET 97 2HE MET 97 -8.044 -7.979 -6.639 780 H LYS 98 H LYS 98 -8.959 -13.568 -3.065 781 HA LYS 98 HA LYS 98 -9.096 -15.543 -2.006 782 HB2 LYS 98 2HB LYS 98 -9.488 -16.791 -4.759 783 HB3 LYS 98 3HB LYS 98 -9.790 -17.602 -3.227 784 HG2 LYS 98 2HG LYS 98 -11.299 -15.178 -4.276 785 HG3 LYS 98 3HG LYS 98 -11.881 -16.841 -4.308 786 HD2 LYS 98 2HD LYS 98 -11.298 -15.202 -1.812 787 HD3 LYS 98 3HD LYS 98 -12.899 -15.550 -2.464 788 HE2 LYS 98 2HE LYS 98 -10.941 -17.625 -1.412 789 HE3 LYS 98 3HE LYS 98 -12.338 -17.001 -0.541 790 HZ1 LYS 98 3HZ LYS 98 -13.773 -17.932 -2.225 791 HZ2 LYS 98 1HZ LYS 98 -12.795 -19.132 -1.552 792 HZ3 LYS 98 2HZ LYS 98 -12.446 -18.522 -3.087 793 H ASP 99 H ASP 99 -6.547 -14.552 -3.483 794 HA ASP 99 HA ASP 99 -4.900 -16.951 -3.579 795 HB2 ASP 99 2HB ASP 99 -4.371 -14.001 -4.175 796 HB3 ASP 99 3HB ASP 99 -3.073 -15.189 -4.148 797 H TYR 100 H TYR 100 -5.903 -16.673 -1.043 798 HA TYR 100 HA TYR 100 -4.564 -15.288 0.909 799 HB2 TYR 100 2HB TYR 100 -5.386 -18.214 1.115 800 HB3 TYR 100 3HB TYR 100 -5.195 -17.088 2.456 801 HD1 TYR 100 HD1 TYR 100 -6.636 -14.688 1.524 802 HD2 TYR 100 HD2 TYR 100 -7.672 -18.803 1.080 803 HE1 TYR 100 HE1 TYR 100 -9.005 -14.097 1.392 804 HE2 TYR 100 HE2 TYR 100 -10.047 -18.200 0.964 805 HH TYR 100 HH TYR 100 -11.496 -16.342 1.747 806 H THR 101 H THR 101 -3.518 -18.227 -0.719 807 HA THR 101 HA THR 101 -1.224 -18.861 0.780 808 HB THR 101 HB THR 101 -0.538 -20.130 -1.319 809 HG1 THR 101 HG1 THR 101 -1.833 -20.009 -3.105 810 HG21 THR 101 3HG2 THR 101 -3.406 -20.546 -0.374 811 HG22 THR 101 1HG2 THR 101 -1.957 -21.225 0.373 812 HG23 THR 101 2HG2 THR 101 -2.434 -21.731 -1.250 813 H LYS 102 H LYS 102 -1.728 -16.695 -2.027 814 HA LYS 102 HA LYS 102 1.109 -16.157 -2.385 815 HB2 LYS 102 2HB LYS 102 -1.325 -14.741 -3.578 816 HB3 LYS 102 3HB LYS 102 0.340 -14.492 -4.082 817 HG2 LYS 102 2HG LYS 102 -1.211 -17.082 -4.368 818 HG3 LYS 102 3HG LYS 102 -0.965 -15.895 -5.644 819 HD2 LYS 102 2HD LYS 102 0.726 -17.367 -6.195 820 HD3 LYS 102 3HD LYS 102 1.627 -16.340 -5.084 821 HE2 LYS 102 2HE LYS 102 1.140 -18.013 -3.263 822 HE3 LYS 102 3HE LYS 102 0.390 -19.049 -4.483 823 HZ1 LYS 102 3HZ LYS 102 2.642 -19.737 -4.140 824 HZ2 LYS 102 1HZ LYS 102 3.231 -18.174 -4.402 825 HZ3 LYS 102 2HZ LYS 102 2.537 -19.041 -5.674 826 H ALA 103 H ALA 103 -1.652 -14.737 -0.809 827 HA ALA 103 HA ALA 103 -0.752 -12.154 -0.258 828 HB1 ALA 103 3HB ALA 103 -3.106 -12.831 -0.050 829 HB2 ALA 103 1HB ALA 103 -2.523 -12.105 1.448 830 HB3 ALA 103 2HB ALA 103 -2.705 -13.860 1.329 831 H MET 104 H MET 104 -0.697 -15.096 1.778 832 HA MET 104 HA MET 104 0.563 -13.970 4.023 833 HB2 MET 104 2HB MET 104 0.988 -16.246 4.778 834 HB3 MET 104 3HB MET 104 -0.626 -16.130 4.100 835 HG2 MET 104 2HG MET 104 0.120 -17.247 2.067 836 HG3 MET 104 3HG MET 104 1.777 -17.284 2.672 837 HE1 MET 104 3HE MET 104 -1.634 -19.617 4.742 838 HE2 MET 104 1HE MET 104 -1.915 -18.542 3.373 839 HE3 MET 104 2HE MET 104 -1.413 -17.878 4.931 840 H ASP 105 H ASP 105 1.917 -15.271 1.052 841 HA ASP 105 HA ASP 105 4.648 -15.398 1.791 842 HB2 ASP 105 2HB ASP 105 3.394 -14.869 -0.942 843 HB3 ASP 105 3HB ASP 105 5.105 -15.207 -0.690 844 H VAL 106 H VAL 106 2.569 -12.777 0.705 845 HA VAL 106 HA VAL 106 4.738 -10.905 0.200 846 HB VAL 106 HB VAL 106 1.704 -10.493 0.155 847 HG11 VAL 106 1HG1 VAL 106 2.906 -8.354 0.393 848 HG12 VAL 106 2HG1 VAL 106 2.165 -8.485 -1.201 849 HG13 VAL 106 3HG1 VAL 106 3.902 -8.743 -1.012 850 HG21 VAL 106 3HG2 VAL 106 3.612 -11.036 -2.154 851 HG22 VAL 106 1HG2 VAL 106 1.876 -10.746 -2.289 852 HG23 VAL 106 2HG2 VAL 106 2.471 -12.193 -1.477 853 H TYR 107 H TYR 107 2.359 -11.550 2.772 854 HA TYR 107 HA TYR 107 2.979 -9.329 4.453 855 HB2 TYR 107 2HB TYR 107 1.926 -12.106 5.134 856 HB3 TYR 107 3HB TYR 107 2.143 -10.849 6.347 857 HD1 TYR 107 HD1 TYR 107 1.044 -8.453 5.513 858 HD2 TYR 107 HD2 TYR 107 -0.286 -12.360 4.415 859 HE1 TYR 107 HE1 TYR 107 -1.213 -7.568 5.098 860 HE2 TYR 107 HE2 TYR 107 -2.525 -11.478 3.993 861 HH TYR 107 HH TYR 107 -3.932 -9.633 4.566 862 H GLN 108 H GLN 108 4.346 -12.584 4.148 863 HA GLN 108 HA GLN 108 6.270 -12.515 6.189 864 HB2 GLN 108 2HB GLN 108 5.504 -14.501 4.680 865 HB3 GLN 108 3HB GLN 108 6.665 -13.913 3.505 866 HG2 GLN 108 2HG GLN 108 7.487 -14.641 6.322 867 HG3 GLN 108 3HG GLN 108 7.368 -15.850 5.051 868 HE21 GLN 108 1HE2 GLN 108 9.127 -13.058 6.173 869 HE22 GLN 108 2HE2 GLN 108 10.520 -13.289 5.181 870 H LYS 109 H LYS 109 6.412 -11.559 2.758 871 HA LYS 109 HA LYS 109 9.026 -10.563 2.720 872 HB2 LYS 109 2HB LYS 109 6.613 -9.991 0.969 873 HB3 LYS 109 3HB LYS 109 8.191 -9.279 0.646 874 HG2 LYS 109 2HG LYS 109 7.542 -12.240 0.720 875 HG3 LYS 109 3HG LYS 109 7.842 -11.272 -0.726 876 HD2 LYS 109 2HD LYS 109 9.859 -11.861 1.482 877 HD3 LYS 109 3HD LYS 109 9.816 -12.609 -0.112 878 HE2 LYS 109 2HE LYS 109 10.286 -10.458 -1.178 879 HE3 LYS 109 3HE LYS 109 10.209 -9.640 0.384 880 HZ1 LYS 109 3HZ LYS 109 12.472 -9.973 -0.191 881 HZ2 LYS 109 1HZ LYS 109 12.239 -11.621 -0.485 882 HZ3 LYS 109 2HZ LYS 109 12.121 -11.016 1.086 883 H ALA 110 H ALA 110 6.000 -8.919 3.632 884 HA ALA 110 HA ALA 110 7.094 -6.309 3.917 885 HB1 ALA 110 3HB ALA 110 4.662 -6.718 3.938 886 HB2 ALA 110 1HB ALA 110 5.171 -5.829 5.376 887 HB3 ALA 110 2HB ALA 110 4.807 -7.556 5.484 888 H LEU 111 H LEU 111 6.772 -9.012 6.238 889 HA LEU 111 HA LEU 111 8.140 -7.756 8.405 890 HB2 LEU 111 2HB LEU 111 7.791 -10.727 7.830 891 HB3 LEU 111 3HB LEU 111 8.292 -10.041 9.369 892 HG LEU 111 HG LEU 111 5.562 -9.670 8.067 893 HD11 LEU 111 1HD1 LEU 111 6.333 -11.303 10.505 894 HD12 LEU 111 2HD1 LEU 111 5.898 -11.943 8.918 895 HD13 LEU 111 3HD1 LEU 111 4.698 -11.074 9.873 896 HD21 LEU 111 3HD2 LEU 111 4.887 -8.578 10.168 897 HD22 LEU 111 1HD2 LEU 111 6.158 -7.677 9.343 898 HD23 LEU 111 2HD2 LEU 111 6.550 -8.662 10.755 899 H ASP 112 H ASP 112 9.232 -9.385 5.533 900 HA ASP 112 HA ASP 112 11.857 -10.161 6.385 901 HB2 ASP 112 2HB ASP 112 10.796 -11.350 4.544 902 HB3 ASP 112 3HB ASP 112 10.582 -9.866 3.625 903 H LEU 113 H LEU 113 10.506 -7.401 4.590 904 HA LEU 113 HA LEU 113 12.937 -6.072 4.028 905 HB2 LEU 113 2HB LEU 113 10.134 -4.914 4.353 906 HB3 LEU 113 3HB LEU 113 11.505 -4.042 3.678 907 HG LEU 113 HG LEU 113 10.170 -6.490 2.471 908 HD11 LEU 113 1HD1 LEU 113 9.503 -4.986 0.659 909 HD12 LEU 113 2HD1 LEU 113 10.220 -3.619 1.515 910 HD13 LEU 113 3HD1 LEU 113 8.838 -4.471 2.209 911 HD21 LEU 113 3HD2 LEU 113 12.539 -6.627 2.020 912 HD22 LEU 113 1HD2 LEU 113 12.581 -4.948 1.469 913 HD23 LEU 113 2HD2 LEU 113 11.695 -6.164 0.546 914 H ASP 114 H ASP 114 10.560 -5.597 6.634 915 HA ASP 114 HA ASP 114 12.585 -5.256 8.621 916 HB2 ASP 114 2HB ASP 114 12.706 -2.971 7.753 917 HB3 ASP 114 3HB ASP 114 10.957 -2.799 7.837 918 H SER 115 H SER 115 11.805 -6.207 10.339 919 HA SER 115 HA SER 115 9.187 -7.257 10.431 920 HB2 SER 115 2HB SER 115 11.325 -7.226 12.593 921 HB3 SER 115 3HB SER 115 9.884 -8.244 12.576 922 HG SER 115 HG SER 115 11.050 -8.593 10.247 923 H SER 116 H SER 116 10.428 -4.228 11.616 924 HA SER 116 HA SER 116 8.663 -3.596 13.690 925 HB2 SER 116 2HB SER 116 9.558 -1.649 11.528 926 HB3 SER 116 3HB SER 116 9.075 -1.260 13.182 927 HG SER 116 HG SER 116 11.478 -2.208 12.203 928 H CYS 117 H CYS 117 8.068 -4.008 10.322 929 HA CYS 117 HA CYS 117 5.479 -2.831 10.124 930 HB2 CYS 117 2HB CYS 117 7.038 -3.286 8.204 931 HB3 CYS 117 3HB CYS 117 6.708 -5.006 8.386 932 HG CYS 117 HG CYS 117 3.921 -4.664 7.838 933 H LYS 118 H LYS 118 6.079 -5.124 12.306 934 HA LYS 118 HA LYS 118 4.580 -7.333 12.125 935 HB2 LYS 118 2HB LYS 118 4.553 -5.361 14.425 936 HB3 LYS 118 3HB LYS 118 3.827 -6.955 14.545 937 HG2 LYS 118 2HG LYS 118 6.756 -6.362 14.052 938 HG3 LYS 118 3HG LYS 118 6.043 -6.900 15.568 939 HD2 LYS 118 2HD LYS 118 6.105 -8.499 12.982 940 HD3 LYS 118 3HD LYS 118 7.174 -8.741 14.362 941 HE2 LYS 118 2HE LYS 118 4.166 -9.147 14.327 942 HE3 LYS 118 3HE LYS 118 5.393 -10.408 14.377 943 HZ1 LYS 118 3HZ LYS 118 6.092 -9.547 16.554 944 HZ2 LYS 118 1HZ LYS 118 4.487 -10.074 16.548 945 HZ3 LYS 118 2HZ LYS 118 4.830 -8.420 16.518 946 H GLU 119 H GLU 119 3.005 -4.175 11.892 947 HA GLU 119 HA GLU 119 0.342 -4.831 12.350 948 HB2 GLU 119 2HB GLU 119 -0.254 -3.017 10.790 949 HB3 GLU 119 3HB GLU 119 1.081 -2.532 11.833 950 HG2 GLU 119 2HG GLU 119 2.691 -2.862 10.016 951 HG3 GLU 119 3HG GLU 119 1.430 -3.512 8.971 952 H ALA 120 H ALA 120 2.339 -5.549 9.553 953 HA ALA 120 HA ALA 120 0.432 -6.736 7.830 954 HB1 ALA 120 3HB ALA 120 2.632 -5.933 7.051 955 HB2 ALA 120 1HB ALA 120 2.394 -7.628 6.633 956 HB3 ALA 120 2HB ALA 120 3.442 -7.193 7.988 957 H ALA 121 H ALA 121 2.196 -7.939 10.642 958 HA ALA 121 HA ALA 121 1.888 -10.741 10.071 959 HB1 ALA 121 3HB ALA 121 3.654 -9.941 11.568 960 HB2 ALA 121 1HB ALA 121 2.609 -11.097 12.393 961 HB3 ALA 121 2HB ALA 121 2.447 -9.369 12.721 962 H ASP 122 H ASP 122 0.007 -8.322 11.880 963 HA ASP 122 HA ASP 122 -2.059 -10.045 12.803 964 HB2 ASP 122 2HB ASP 122 -1.816 -7.746 13.687 965 HB3 ASP 122 3HB ASP 122 -2.191 -7.068 12.106 966 H GLY 123 H GLY 123 -1.652 -8.158 9.813 967 HA2 GLY 123 2HA GLY 123 -4.052 -8.894 8.500 968 HA3 GLY 123 3HA GLY 123 -2.583 -8.326 7.718 969 H TYR 124 H TYR 124 -0.953 -10.525 8.832 970 HA TYR 124 HA TYR 124 -1.222 -12.530 6.871 971 HB2 TYR 124 2HB TYR 124 0.929 -12.191 7.858 972 HB3 TYR 124 3HB TYR 124 0.309 -12.374 9.487 973 HD1 TYR 124 HD1 TYR 124 -0.111 -14.662 6.512 974 HD2 TYR 124 HD2 TYR 124 1.591 -14.133 10.398 975 HE1 TYR 124 HE1 TYR 124 0.631 -17.006 6.514 976 HE2 TYR 124 HE2 TYR 124 2.327 -16.474 10.396 977 HH TYR 124 HH TYR 124 1.777 -18.574 9.328 978 H GLN 125 H GLN 125 -1.955 -12.681 10.412 979 HA GLN 125 HA GLN 125 -3.212 -15.140 10.504 980 HB2 GLN 125 2HB GLN 125 -3.450 -12.662 12.175 981 HB3 GLN 125 3HB GLN 125 -4.669 -13.905 12.416 982 HG2 GLN 125 2HG GLN 125 -2.781 -14.059 14.013 983 HG3 GLN 125 3HG GLN 125 -3.002 -15.523 13.057 984 HE21 GLN 125 1HE2 GLN 125 -1.043 -12.690 13.488 985 HE22 GLN 125 2HE2 GLN 125 0.357 -13.277 12.669 986 H ARG 126 H ARG 126 -4.602 -12.062 9.523 987 HA ARG 126 HA ARG 126 -7.292 -12.809 9.263 988 HB2 ARG 126 2HB ARG 126 -6.826 -10.488 9.252 989 HB3 ARG 126 3HB ARG 126 -5.548 -10.643 8.060 990 HG2 ARG 126 2HG ARG 126 -7.427 -9.471 7.096 991 HG3 ARG 126 3HG ARG 126 -7.228 -11.031 6.302 992 HD2 ARG 126 2HD ARG 126 -9.075 -11.898 7.852 993 HD3 ARG 126 3HD ARG 126 -9.364 -10.208 8.288 994 HE ARG 126 HE ARG 126 -9.405 -10.234 5.550 995 HH11 ARG 126 1HH1 ARG 126 -11.214 -11.974 8.004 996 HH12 ARG 126 2HH1 ARG 126 -12.632 -12.135 7.017 997 HH21 ARG 126 1HH2 ARG 126 -11.273 -10.477 4.257 998 HH22 ARG 126 2HH2 ARG 126 -12.665 -11.294 4.910 999 H CYS 127 H CYS 127 -4.572 -13.164 6.922 1000 HA CYS 127 HA CYS 127 -6.396 -13.983 4.779 1001 HB2 CYS 127 2HB CYS 127 -3.387 -13.631 4.889 1002 HB3 CYS 127 3HB CYS 127 -4.218 -14.270 3.467 1003 HG CYS 127 HG CYS 127 -5.671 -11.485 4.459 1004 H MET 128 H MET 128 -3.979 -15.540 6.894 1005 HA MET 128 HA MET 128 -4.094 -18.088 5.636 1006 HB2 MET 128 2HB MET 128 -3.026 -18.988 7.700 1007 HB3 MET 128 3HB MET 128 -2.187 -17.584 7.058 1008 HG2 MET 128 2HG MET 128 -2.997 -16.187 8.798 1009 HG3 MET 128 3HG MET 128 -4.165 -17.391 9.330 1010 HE1 MET 128 3HE MET 128 -2.002 -20.020 11.149 1011 HE2 MET 128 1HE MET 128 -2.594 -20.100 9.490 1012 HE3 MET 128 2HE MET 128 -3.631 -19.459 10.766 1013 H MET 129 H MET 129 -5.879 -16.701 8.433 1014 HA MET 129 HA MET 129 -7.221 -19.099 9.140 1015 HB2 MET 129 2HB MET 129 -8.599 -17.832 10.613 1016 HB3 MET 129 3HB MET 129 -7.036 -17.034 10.635 1017 HG2 MET 129 2HG MET 129 -7.846 -15.197 9.353 1018 HG3 MET 129 3HG MET 129 -9.317 -16.055 8.904 1019 HE1 MET 129 3HE MET 129 -10.386 -17.325 11.534 1020 HE2 MET 129 1HE MET 129 -11.409 -16.364 10.462 1021 HE3 MET 129 2HE MET 129 -11.386 -16.033 12.194 1022 H ALA 130 H ALA 130 -7.817 -16.731 6.680 1023 HA ALA 130 HA ALA 130 -10.582 -16.933 6.318 1024 HB1 ALA 130 3HB ALA 130 -9.211 -15.119 5.387 1025 HB2 ALA 130 1HB ALA 130 -10.191 -15.885 4.136 1026 HB3 ALA 130 2HB ALA 130 -8.466 -16.248 4.254 1027 H GLN 131 H GLN 131 -7.937 -18.720 4.686 1028 HA GLN 131 HA GLN 131 -9.750 -20.478 3.275 1029 HB2 GLN 131 2HB GLN 131 -7.603 -21.821 2.781 1030 HB3 GLN 131 3HB GLN 131 -7.702 -20.191 2.133 1031 HG2 GLN 131 2HG GLN 131 -6.269 -19.369 3.948 1032 HG3 GLN 131 3HG GLN 131 -6.180 -20.995 4.618 1033 HE21 GLN 131 1HE2 GLN 131 -3.990 -19.367 3.759 1034 HE22 GLN 131 2HE2 GLN 131 -3.188 -20.246 2.509 1035 H TYR 132 H TYR 132 -8.306 -20.456 6.432 1036 HA TYR 132 HA TYR 132 -8.819 -23.324 6.882 1037 HB2 TYR 132 2HB TYR 132 -7.622 -21.274 8.812 1038 HB3 TYR 132 3HB TYR 132 -7.617 -23.023 9.009 1039 HD1 TYR 132 HD1 TYR 132 -6.824 -23.271 5.822 1040 HD2 TYR 132 HD2 TYR 132 -5.173 -21.314 9.242 1041 HE1 TYR 132 HE1 TYR 132 -4.612 -23.295 4.764 1042 HE2 TYR 132 HE2 TYR 132 -2.958 -21.358 8.192 1043 HH TYR 132 HH TYR 132 -1.731 -22.512 6.487 1044 H ASN 133 H ASN 133 -11.098 -21.626 6.422 1045 HA ASN 133 HA ASN 133 -12.466 -21.223 8.945 1046 HB2 ASN 133 2HB ASN 133 -13.244 -20.904 6.032 1047 HB3 ASN 133 3HB ASN 133 -14.511 -20.997 7.245 1048 HD21 ASN 133 1HD2 ASN 133 -11.432 -19.439 7.936 1049 HD22 ASN 133 2HD2 ASN 133 -12.059 -17.838 7.967 Start of MODEL 2 1 H1 MET 1 1H MET 1 20.090 40.235 13.931 2 H2 MET 1 2H MET 1 20.328 39.238 12.590 3 H3 MET 1 3H MET 1 18.780 39.437 13.230 4 HA MET 1 HA MET 1 18.758 41.736 12.634 5 HB2 MET 1 2HB MET 1 21.245 42.073 12.809 6 HB3 MET 1 3HB MET 1 21.461 41.148 11.329 7 HG2 MET 1 2HG MET 1 20.203 42.860 10.075 8 HG3 MET 1 3HG MET 1 19.981 43.783 11.562 9 HE1 MET 1 3HE MET 1 23.620 45.024 12.332 10 HE2 MET 1 1HE MET 1 22.760 43.664 13.051 11 HE3 MET 1 2HE MET 1 21.915 45.184 12.756 12 H GLY 2 H GLY 2 17.168 41.642 11.168 13 HA2 GLY 2 2HA GLY 2 17.471 39.959 8.730 14 HA3 GLY 2 3HA GLY 2 16.016 39.936 9.719 15 H HIS 3 H HIS 3 18.130 42.341 8.144 16 HA HIS 3 HA HIS 3 15.738 43.614 6.953 17 HB2 HIS 3 2HB HIS 3 17.204 45.580 6.474 18 HB3 HIS 3 3HB HIS 3 17.051 45.235 8.188 19 HD1 HIS 3 HD1 HIS 3 19.183 46.114 9.101 20 HD2 HIS 3 HD2 HIS 3 19.845 43.760 5.742 21 HE1 HIS 3 HE1 HIS 3 21.675 45.946 8.872 22 HE2 HIS 3 HE2 HIS 3 22.048 44.648 6.755 23 H HIS 4 H HIS 4 18.044 41.351 6.214 24 HA HIS 4 HA HIS 4 18.411 41.961 3.411 25 HB2 HIS 4 2HB HIS 4 18.917 39.434 5.044 26 HB3 HIS 4 3HB HIS 4 19.229 39.527 3.312 27 HD1 HIS 4 HD1 HIS 4 21.272 39.238 5.900 28 HD2 HIS 4 HD2 HIS 4 20.807 42.437 3.289 29 HE1 HIS 4 HE1 HIS 4 23.437 40.496 5.987 30 HE2 HIS 4 HE2 HIS 4 23.150 42.402 4.375 31 H HIS 5 H HIS 5 16.968 41.599 1.855 32 HA HIS 5 HA HIS 5 14.385 40.530 2.235 33 HB2 HIS 5 2HB HIS 5 14.984 42.219 0.471 34 HB3 HIS 5 3HB HIS 5 15.877 40.978 -0.396 35 HD1 HIS 5 HD1 HIS 5 12.508 42.368 0.037 36 HD2 HIS 5 HD2 HIS 5 14.163 38.900 -1.537 37 HE1 HIS 5 HE1 HIS 5 10.698 41.330 -1.352 38 HE2 HIS 5 HE2 HIS 5 11.795 39.355 -2.439 39 H HIS 6 H HIS 6 14.188 38.452 2.831 40 HA HIS 6 HA HIS 6 15.933 36.348 1.810 41 HB2 HIS 6 2HB HIS 6 13.664 36.217 3.843 42 HB3 HIS 6 3HB HIS 6 14.764 34.895 3.457 43 HD1 HIS 6 HD1 HIS 6 14.298 37.067 6.086 44 HD2 HIS 6 HD2 HIS 6 17.647 36.180 3.795 45 HE1 HIS 6 HE1 HIS 6 16.267 37.713 7.498 46 HE2 HIS 6 HE2 HIS 6 18.261 36.938 6.184 47 H HIS 7 H HIS 7 15.462 35.262 0.062 48 HA HIS 7 HA HIS 7 12.941 34.127 -0.584 49 HB2 HIS 7 2HB HIS 7 12.479 36.443 -1.407 50 HB3 HIS 7 3HB HIS 7 13.914 36.378 -2.420 51 HD1 HIS 7 HD1 HIS 7 13.754 35.007 -4.612 52 HD2 HIS 7 HD2 HIS 7 10.258 34.983 -2.372 53 HE1 HIS 7 HE1 HIS 7 11.998 34.053 -6.124 54 HE2 HIS 7 HE2 HIS 7 9.858 34.239 -4.815 55 H HIS 8 H HIS 8 16.014 35.303 -1.960 56 HA HIS 8 HA HIS 8 16.428 32.955 -3.612 57 HB2 HIS 8 2HB HIS 8 17.189 35.227 -4.336 58 HB3 HIS 8 3HB HIS 8 18.326 35.266 -2.996 59 HD1 HIS 8 HD1 HIS 8 17.683 33.315 -6.202 60 HD2 HIS 8 HD2 HIS 8 20.784 34.132 -3.556 61 HE1 HIS 8 HE1 HIS 8 19.754 32.406 -7.284 62 HE2 HIS 8 HE2 HIS 8 21.600 32.851 -5.645 63 H SER 9 H SER 9 16.169 31.545 -1.791 64 HA SER 9 HA SER 9 18.487 30.277 -0.885 65 HB2 SER 9 2HB SER 9 18.619 32.223 0.729 66 HB3 SER 9 3HB SER 9 17.018 31.803 1.336 67 HG SER 9 HG SER 9 17.942 30.381 2.568 68 H HIS 10 H HIS 10 17.889 28.339 0.373 69 HA HIS 10 HA HIS 10 15.384 27.196 -0.286 70 HB2 HIS 10 2HB HIS 10 16.053 25.341 1.283 71 HB3 HIS 10 3HB HIS 10 17.272 25.726 0.077 72 HD1 HIS 10 HD1 HIS 10 19.397 27.118 0.997 73 HD2 HIS 10 HD2 HIS 10 16.930 25.453 3.898 74 HE1 HIS 10 HE1 HIS 10 20.738 27.131 3.115 75 HE2 HIS 10 HE2 HIS 10 19.196 26.220 4.871 76 H MET 11 H MET 11 13.643 28.327 0.400 77 HA MET 11 HA MET 11 13.354 29.561 2.959 78 HB2 MET 11 2HB MET 11 11.313 28.967 0.778 79 HB3 MET 11 3HB MET 11 10.938 29.882 2.234 80 HG2 MET 11 2HG MET 11 12.611 31.587 1.584 81 HG3 MET 11 3HG MET 11 12.959 30.674 0.116 82 HE1 MET 11 3HE MET 11 9.404 31.223 1.801 83 HE2 MET 11 1HE MET 11 8.839 32.650 0.932 84 HE3 MET 11 2HE MET 11 10.196 32.779 2.051 85 H ASN 12 H ASN 12 12.516 26.424 1.683 86 HA ASN 12 HA ASN 12 11.615 25.548 4.357 87 HB2 ASN 12 2HB ASN 12 10.257 24.955 1.685 88 HB3 ASN 12 3HB ASN 12 9.971 23.983 3.128 89 HD21 ASN 12 1HD2 ASN 12 9.440 27.084 1.635 90 HD22 ASN 12 2HD2 ASN 12 8.263 27.644 2.763 91 HA PRO 13 HA PRO 13 14.630 22.311 4.089 92 HB2 PRO 13 2HB PRO 13 13.214 20.091 5.080 93 HB3 PRO 13 3HB PRO 13 13.954 21.353 6.084 94 HG2 PRO 13 2HG PRO 13 11.103 21.086 5.186 95 HG3 PRO 13 3HG PRO 13 11.744 21.553 6.781 96 HD2 PRO 13 2HD PRO 13 10.809 23.405 5.091 97 HD3 PRO 13 3HD PRO 13 12.247 23.740 6.081 98 H ASP 14 H ASP 14 11.442 21.010 3.056 99 HA ASP 14 HA ASP 14 12.380 20.360 0.426 100 HB2 ASP 14 2HB ASP 14 13.351 18.419 1.467 101 HB3 ASP 14 3HB ASP 14 11.904 18.113 2.418 102 H LEU 15 H LEU 15 10.752 21.049 -0.689 103 HA LEU 15 HA LEU 15 8.133 21.508 0.183 104 HB2 LEU 15 2HB LEU 15 9.211 21.330 -2.664 105 HB3 LEU 15 3HB LEU 15 7.630 21.960 -2.228 106 HG LEU 15 HG LEU 15 8.958 23.692 -0.769 107 HD11 LEU 15 1HD1 LEU 15 11.169 22.722 -0.867 108 HD12 LEU 15 2HD1 LEU 15 11.184 24.320 -1.600 109 HD13 LEU 15 3HD1 LEU 15 11.207 22.881 -2.625 110 HD21 LEU 15 3HD2 LEU 15 9.018 23.919 -3.792 111 HD22 LEU 15 1HD2 LEU 15 9.149 25.258 -2.647 112 HD23 LEU 15 2HD2 LEU 15 7.660 24.324 -2.739 113 H ALA 16 H ALA 16 9.612 18.770 -1.440 114 HA ALA 16 HA ALA 16 7.322 17.390 -2.315 115 HB1 ALA 16 3HB ALA 16 9.568 16.822 -3.095 116 HB2 ALA 16 1HB ALA 16 8.759 15.402 -2.430 117 HB3 ALA 16 2HB ALA 16 9.999 16.238 -1.487 118 H LEU 17 H LEU 17 8.807 17.613 0.900 119 HA LEU 17 HA LEU 17 7.285 15.359 1.924 120 HB2 LEU 17 2HB LEU 17 8.512 15.523 3.851 121 HB3 LEU 17 3HB LEU 17 9.609 16.306 2.743 122 HG LEU 17 HG LEU 17 8.405 18.543 3.667 123 HD11 LEU 17 1HD1 LEU 17 8.113 16.668 6.033 124 HD12 LEU 17 2HD1 LEU 17 6.787 17.337 5.085 125 HD13 LEU 17 3HD1 LEU 17 7.819 18.412 6.030 126 HD21 LEU 17 3HD2 LEU 17 10.216 18.822 5.298 127 HD22 LEU 17 1HD2 LEU 17 10.818 18.101 3.808 128 HD23 LEU 17 2HD2 LEU 17 10.569 17.093 5.233 129 H MET 18 H MET 18 6.766 18.732 1.417 130 HA MET 18 HA MET 18 4.821 19.126 3.543 131 HB2 MET 18 2HB MET 18 5.469 20.889 1.134 132 HB3 MET 18 3HB MET 18 4.565 21.377 2.566 133 HG2 MET 18 2HG MET 18 7.479 20.554 2.536 134 HG3 MET 18 3HG MET 18 6.878 22.216 2.593 135 HE1 MET 18 3HE MET 18 8.323 22.718 4.785 136 HE2 MET 18 1HE MET 18 8.965 21.075 4.742 137 HE3 MET 18 2HE MET 18 8.273 21.713 6.234 138 H VAL 19 H VAL 19 4.846 18.482 0.110 139 HA VAL 19 HA VAL 19 2.020 18.854 -0.313 140 HB VAL 19 HB VAL 19 3.755 19.324 -2.054 141 HG11 VAL 19 1HG1 VAL 19 5.275 17.465 -1.638 142 HG12 VAL 19 2HG1 VAL 19 4.776 17.485 -3.329 143 HG13 VAL 19 3HG1 VAL 19 4.067 16.312 -2.216 144 HG21 VAL 19 3HG2 VAL 19 1.691 17.264 -2.929 145 HG22 VAL 19 1HG2 VAL 19 2.507 18.427 -3.978 146 HG23 VAL 19 2HG2 VAL 19 1.403 18.993 -2.725 147 H LYS 20 H LYS 20 4.078 16.127 0.584 148 HA LYS 20 HA LYS 20 2.001 14.158 0.105 149 HB2 LYS 20 2HB LYS 20 3.472 12.507 0.922 150 HB3 LYS 20 3HB LYS 20 4.489 13.637 0.043 151 HG2 LYS 20 2HG LYS 20 5.222 14.625 2.204 152 HG3 LYS 20 3HG LYS 20 4.220 13.460 3.067 153 HD2 LYS 20 2HD LYS 20 6.518 12.671 3.084 154 HD3 LYS 20 3HD LYS 20 5.570 11.603 2.043 155 HE2 LYS 20 2HE LYS 20 6.413 12.961 0.069 156 HE3 LYS 20 3HE LYS 20 7.483 13.797 1.199 157 HZ1 LYS 20 3HZ LYS 20 7.501 10.871 0.667 158 HZ2 LYS 20 1HZ LYS 20 8.547 11.716 1.692 159 HZ3 LYS 20 2HZ LYS 20 8.591 11.997 0.032 160 H ASN 21 H ASN 21 2.954 16.260 2.746 161 HA ASN 21 HA ASN 21 1.623 14.934 4.878 162 HB2 ASN 21 2HB ASN 21 2.717 17.710 4.498 163 HB3 ASN 21 3HB ASN 21 1.493 17.544 5.746 164 HD21 ASN 21 1HD2 ASN 21 4.770 17.034 4.976 165 HD22 ASN 21 2HD2 ASN 21 5.241 16.274 6.447 166 H LYS 22 H LYS 22 0.503 17.490 2.635 167 HA LYS 22 HA LYS 22 -2.087 17.783 3.778 168 HB2 LYS 22 2HB LYS 22 -2.661 18.869 1.576 169 HB3 LYS 22 3HB LYS 22 -1.230 19.532 2.364 170 HG2 LYS 22 2HG LYS 22 0.243 18.351 0.879 171 HG3 LYS 22 3HG LYS 22 -1.092 17.439 0.179 172 HD2 LYS 22 2HD LYS 22 -0.768 20.440 -0.033 173 HD3 LYS 22 3HD LYS 22 -0.245 19.287 -1.257 174 HE2 LYS 22 2HE LYS 22 -2.589 18.515 -1.525 175 HE3 LYS 22 3HE LYS 22 -3.108 19.684 -0.307 176 HZ1 LYS 22 3HZ LYS 22 -3.509 20.538 -2.499 177 HZ2 LYS 22 1HZ LYS 22 -1.895 20.306 -2.939 178 HZ3 LYS 22 2HZ LYS 22 -2.294 21.456 -1.771 179 H GLY 23 H GLY 23 -0.787 15.613 1.297 180 HA2 GLY 23 2HA GLY 23 -3.189 14.467 0.355 181 HA3 GLY 23 3HA GLY 23 -1.612 13.688 0.345 182 H ASN 24 H ASN 24 -0.939 13.248 2.814 183 HA ASN 24 HA ASN 24 -2.372 11.119 3.865 184 HB2 ASN 24 2HB ASN 24 -0.051 11.440 4.434 185 HB3 ASN 24 3HB ASN 24 -0.368 13.018 5.145 186 HD21 ASN 24 1HD2 ASN 24 -1.223 13.125 7.244 187 HD22 ASN 24 2HD2 ASN 24 -1.306 11.754 8.290 188 H GLU 25 H GLU 25 -2.509 14.552 4.753 189 HA GLU 25 HA GLU 25 -4.186 14.354 7.000 190 HB2 GLU 25 2HB GLU 25 -3.094 16.382 6.970 191 HB3 GLU 25 3HB GLU 25 -3.156 16.544 5.218 192 HG2 GLU 25 2HG GLU 25 -5.497 17.217 5.365 193 HG3 GLU 25 3HG GLU 25 -5.470 17.044 7.120 194 H CYS 26 H CYS 26 -4.897 15.181 3.592 195 HA CYS 26 HA CYS 26 -7.578 15.829 3.948 196 HB2 CYS 26 2HB CYS 26 -6.109 14.918 1.468 197 HB3 CYS 26 3HB CYS 26 -7.758 15.544 1.456 198 HG CYS 26 HG CYS 26 -5.624 17.551 3.056 199 H PHE 27 H PHE 27 -6.118 12.737 2.938 200 HA PHE 27 HA PHE 27 -8.346 11.135 2.559 201 HB2 PHE 27 2HB PHE 27 -5.917 10.482 2.241 202 HB3 PHE 27 3HB PHE 27 -5.769 10.312 3.982 203 HD1 PHE 27 HD2 PHE 27 -7.392 8.895 0.943 204 HD2 PHE 27 HD1 PHE 27 -6.537 8.310 5.083 205 HE1 PHE 27 HE2 PHE 27 -8.093 6.547 0.759 206 HE2 PHE 27 HE1 PHE 27 -7.242 5.959 4.895 207 HZ PHE 27 HZ PHE 27 -8.020 5.078 2.733 208 H GLN 28 H GLN 28 -6.623 11.825 5.560 209 HA GLN 28 HA GLN 28 -8.281 10.400 7.364 210 HB2 GLN 28 2HB GLN 28 -5.918 10.991 7.823 211 HB3 GLN 28 3HB GLN 28 -6.329 12.700 7.825 212 HG2 GLN 28 2HG GLN 28 -6.045 11.906 10.103 213 HG3 GLN 28 3HG GLN 28 -7.726 12.368 9.833 214 HE21 GLN 28 1HE2 GLN 28 -9.324 10.742 9.837 215 HE22 GLN 28 2HE2 GLN 28 -9.015 9.136 10.385 216 H LYS 29 H LYS 29 -8.571 13.608 5.907 217 HA LYS 29 HA LYS 29 -10.452 14.611 7.913 218 HB2 LYS 29 2HB LYS 29 -9.938 15.828 5.160 219 HB3 LYS 29 3HB LYS 29 -10.650 16.609 6.565 220 HG2 LYS 29 2HG LYS 29 -7.774 15.799 6.191 221 HG3 LYS 29 3HG LYS 29 -8.403 17.436 6.190 222 HD2 LYS 29 2HD LYS 29 -8.578 15.641 8.641 223 HD3 LYS 29 3HD LYS 29 -7.136 16.607 8.294 224 HE2 LYS 29 2HE LYS 29 -8.517 17.810 9.867 225 HE3 LYS 29 3HE LYS 29 -8.575 18.662 8.327 226 HZ1 LYS 29 3HZ LYS 29 -10.742 18.517 9.418 227 HZ2 LYS 29 1HZ LYS 29 -10.682 16.831 9.353 228 HZ3 LYS 29 2HZ LYS 29 -10.753 17.733 7.924 229 H GLY 30 H GLY 30 -10.629 12.398 5.392 230 HA2 GLY 30 2HA GLY 30 -12.698 11.193 5.083 231 HA3 GLY 30 3HA GLY 30 -13.581 12.708 5.189 232 H ASP 31 H ASP 31 -10.894 13.377 3.409 233 HA ASP 31 HA ASP 31 -12.297 13.244 0.857 234 HB2 ASP 31 2HB ASP 31 -9.538 14.397 1.500 235 HB3 ASP 31 3HB ASP 31 -10.433 14.618 0.002 236 H TYR 32 H TYR 32 -12.159 10.782 1.060 237 HA TYR 32 HA TYR 32 -9.685 9.428 0.831 238 HB2 TYR 32 2HB TYR 32 -12.512 8.499 0.195 239 HB3 TYR 32 3HB TYR 32 -11.113 7.443 0.038 240 HD1 TYR 32 HD1 TYR 32 -12.352 9.863 2.662 241 HD2 TYR 32 HD2 TYR 32 -10.965 5.915 1.829 242 HE1 TYR 32 HE1 TYR 32 -12.581 9.285 5.029 243 HE2 TYR 32 HE2 TYR 32 -11.195 5.335 4.202 244 HH TYR 32 HH TYR 32 -12.904 7.256 6.400 245 HA PRO 33 HA PRO 33 -10.408 9.263 -4.024 246 HB2 PRO 33 2HB PRO 33 -12.281 11.543 -4.563 247 HB3 PRO 33 3HB PRO 33 -12.270 9.899 -5.236 248 HG2 PRO 33 2HG PRO 33 -14.129 10.653 -3.464 249 HG3 PRO 33 3HG PRO 33 -13.469 9.002 -3.466 250 HD2 PRO 33 2HD PRO 33 -12.794 11.304 -1.640 251 HD3 PRO 33 3HD PRO 33 -13.045 9.587 -1.254 252 H GLN 34 H GLN 34 -10.878 12.548 -2.652 253 HA GLN 34 HA GLN 34 -9.246 13.933 -4.502 254 HB2 GLN 34 2HB GLN 34 -11.003 14.924 -2.937 255 HB3 GLN 34 3HB GLN 34 -9.823 14.801 -1.645 256 HG2 GLN 34 2HG GLN 34 -9.582 17.013 -2.286 257 HG3 GLN 34 3HG GLN 34 -8.306 16.251 -3.225 258 HE21 GLN 34 1HE2 GLN 34 -10.302 15.171 -5.237 259 HE22 GLN 34 2HE2 GLN 34 -10.756 16.541 -6.171 260 H ALA 35 H ALA 35 -8.478 12.197 -1.552 261 HA ALA 35 HA ALA 35 -5.900 13.132 -0.984 262 HB1 ALA 35 3HB ALA 35 -7.117 11.635 0.522 263 HB2 ALA 35 1HB ALA 35 -5.526 10.975 0.142 264 HB3 ALA 35 2HB ALA 35 -6.970 10.316 -0.636 265 H MET 36 H MET 36 -7.036 10.798 -3.428 266 HA MET 36 HA MET 36 -4.513 9.663 -4.107 267 HB2 MET 36 2HB MET 36 -6.944 10.015 -5.905 268 HB3 MET 36 3HB MET 36 -5.593 8.928 -6.207 269 HG2 MET 36 2HG MET 36 -6.206 7.628 -4.202 270 HG3 MET 36 3HG MET 36 -7.570 8.719 -3.925 271 HE1 MET 36 3HE MET 36 -9.684 8.054 -7.231 272 HE2 MET 36 1HE MET 36 -8.407 9.259 -7.057 273 HE3 MET 36 2HE MET 36 -9.584 9.023 -5.766 274 H LYS 37 H LYS 37 -6.324 12.446 -5.320 275 HA LYS 37 HA LYS 37 -4.510 13.206 -7.402 276 HB2 LYS 37 2HB LYS 37 -6.565 14.938 -5.947 277 HB3 LYS 37 3HB LYS 37 -5.815 15.290 -7.507 278 HG2 LYS 37 2HG LYS 37 -6.896 13.240 -8.445 279 HG3 LYS 37 3HG LYS 37 -7.704 13.000 -6.892 280 HD2 LYS 37 2HD LYS 37 -8.887 15.152 -7.152 281 HD3 LYS 37 3HD LYS 37 -8.041 15.447 -8.677 282 HE2 LYS 37 2HE LYS 37 -9.106 13.394 -9.624 283 HE3 LYS 37 3HE LYS 37 -10.001 13.193 -8.116 284 HZ1 LYS 37 3HZ LYS 37 -10.220 15.463 -10.012 285 HZ2 LYS 37 1HZ LYS 37 -11.018 15.382 -8.523 286 HZ3 LYS 37 2HZ LYS 37 -11.370 14.262 -9.735 287 H HIS 38 H HIS 38 -4.901 14.030 -4.006 288 HA HIS 38 HA HIS 38 -2.851 16.034 -3.903 289 HB2 HIS 38 2HB HIS 38 -4.245 14.444 -1.725 290 HB3 HIS 38 3HB HIS 38 -3.026 15.671 -1.384 291 HD1 HIS 38 HD1 HIS 38 -5.167 16.698 -0.058 292 HD2 HIS 38 HD2 HIS 38 -5.281 16.894 -4.199 293 HE1 HIS 38 HE1 HIS 38 -6.900 18.427 -0.603 294 HE2 HIS 38 HE2 HIS 38 -6.786 18.673 -3.100 295 H TYR 39 H TYR 39 -2.804 12.551 -3.791 296 HA TYR 39 HA TYR 39 0.008 12.415 -3.063 297 HB2 TYR 39 2HB TYR 39 -1.858 10.267 -4.172 298 HB3 TYR 39 3HB TYR 39 -0.183 9.983 -3.697 299 HD1 TYR 39 HD2 TYR 39 -0.000 11.576 -1.170 300 HD2 TYR 39 HD1 TYR 39 -3.115 8.991 -2.581 301 HE1 TYR 39 HE2 TYR 39 -0.724 11.172 1.134 302 HE2 TYR 39 HE1 TYR 39 -3.833 8.606 -0.261 303 HH TYR 39 HH TYR 39 -2.971 10.495 2.269 304 H THR 40 H THR 40 -1.933 12.615 -5.992 305 HA THR 40 HA THR 40 0.043 11.776 -7.849 306 HB THR 40 HB THR 40 -2.375 13.584 -8.311 307 HG1 THR 40 HG1 THR 40 -2.423 11.161 -7.551 308 HG21 THR 40 3HG2 THR 40 -0.743 13.752 -10.177 309 HG22 THR 40 1HG2 THR 40 -2.195 12.884 -10.681 310 HG23 THR 40 2HG2 THR 40 -0.716 11.992 -10.316 311 H GLU 41 H GLU 41 -0.957 15.009 -6.692 312 HA GLU 41 HA GLU 41 0.994 16.506 -8.136 313 HB2 GLU 41 2HB GLU 41 0.436 18.360 -6.576 314 HB3 GLU 41 3HB GLU 41 -1.004 17.614 -7.260 315 HG2 GLU 41 2HG GLU 41 -1.407 16.396 -5.192 316 HG3 GLU 41 3HG GLU 41 0.085 17.011 -4.490 317 H ALA 42 H ALA 42 1.037 14.779 -5.074 318 HA ALA 42 HA ALA 42 3.492 15.779 -4.067 319 HB1 ALA 42 3HB ALA 42 1.853 14.647 -2.625 320 HB2 ALA 42 1HB ALA 42 3.439 13.879 -2.517 321 HB3 ALA 42 2HB ALA 42 2.152 13.125 -3.464 322 H ILE 43 H ILE 43 2.657 13.039 -6.130 323 HA ILE 43 HA ILE 43 5.151 11.807 -6.447 324 HB ILE 43 HB ILE 43 2.530 11.795 -7.891 325 HG12 ILE 43 2HG1 ILE 43 2.932 9.311 -7.927 326 HG13 ILE 43 3HG1 ILE 43 4.516 9.581 -7.218 327 HG21 ILE 43 1HG2 ILE 43 4.977 10.949 -9.483 328 HG22 ILE 43 2HG2 ILE 43 3.894 12.290 -9.860 329 HG23 ILE 43 3HG2 ILE 43 3.298 10.632 -9.934 330 HD11 ILE 43 3HD1 ILE 43 2.941 8.819 -5.577 331 HD12 ILE 43 1HD1 ILE 43 1.861 10.165 -5.938 332 HD13 ILE 43 2HD1 ILE 43 3.439 10.468 -5.207 333 H LYS 44 H LYS 44 3.824 14.705 -7.908 334 HA LYS 44 HA LYS 44 5.715 14.955 -10.046 335 HB2 LYS 44 2HB LYS 44 3.972 17.102 -8.774 336 HB3 LYS 44 3HB LYS 44 4.754 17.200 -10.351 337 HG2 LYS 44 2HG LYS 44 2.525 15.308 -9.547 338 HG3 LYS 44 3HG LYS 44 2.384 16.706 -10.615 339 HD2 LYS 44 2HD LYS 44 3.828 15.603 -12.283 340 HD3 LYS 44 3HD LYS 44 4.068 14.229 -11.198 341 HE2 LYS 44 2HE LYS 44 2.410 13.708 -12.934 342 HE3 LYS 44 3HE LYS 44 1.669 13.687 -11.332 343 HZ1 LYS 44 3HZ LYS 44 0.757 15.866 -11.753 344 HZ2 LYS 44 1HZ LYS 44 0.298 14.808 -12.984 345 HZ3 LYS 44 2HZ LYS 44 1.517 15.940 -13.255 346 H ARG 45 H ARG 45 5.768 15.788 -6.693 347 HA ARG 45 HA ARG 45 8.178 17.458 -6.922 348 HB2 ARG 45 2HB ARG 45 6.356 16.738 -4.595 349 HB3 ARG 45 3HB ARG 45 7.858 17.641 -4.385 350 HG2 ARG 45 2HG ARG 45 5.569 18.534 -6.162 351 HG3 ARG 45 3HG ARG 45 5.830 19.070 -4.503 352 HD2 ARG 45 2HD ARG 45 7.981 20.069 -5.122 353 HD3 ARG 45 3HD ARG 45 7.830 19.433 -6.762 354 HE ARG 45 HE ARG 45 5.768 21.279 -5.809 355 HH11 ARG 45 1HH1 ARG 45 8.630 20.828 -7.799 356 HH12 ARG 45 2HH1 ARG 45 8.364 22.277 -8.717 357 HH21 ARG 45 1HH2 ARG 45 5.435 23.171 -7.004 358 HH22 ARG 45 2HH2 ARG 45 6.549 23.606 -8.263 359 H ASN 46 H ASN 46 7.149 14.280 -5.828 360 HA ASN 46 HA ASN 46 9.976 13.483 -5.577 361 HB2 ASN 46 2HB ASN 46 9.295 11.963 -3.635 362 HB3 ASN 46 3HB ASN 46 9.413 13.677 -3.303 363 HD21 ASN 46 1HD2 ASN 46 6.700 11.648 -4.587 364 HD22 ASN 46 2HD2 ASN 46 5.585 12.159 -3.386 365 HA PRO 47 HA PRO 47 7.723 10.684 -8.562 366 HB2 PRO 47 2HB PRO 47 9.479 10.816 -10.631 367 HB3 PRO 47 3HB PRO 47 8.328 12.132 -10.308 368 HG2 PRO 47 2HG PRO 47 11.222 11.936 -9.522 369 HG3 PRO 47 3HG PRO 47 10.374 13.286 -10.295 370 HD2 PRO 47 2HD PRO 47 10.846 13.229 -7.616 371 HD3 PRO 47 3HD PRO 47 9.394 13.996 -8.297 372 H LYS 48 H LYS 48 10.592 10.483 -6.806 373 HA LYS 48 HA LYS 48 11.234 7.741 -7.706 374 HB2 LYS 48 2HB LYS 48 12.759 9.583 -5.805 375 HB3 LYS 48 3HB LYS 48 13.265 7.968 -6.279 376 HG2 LYS 48 2HG LYS 48 14.578 9.328 -7.645 377 HG3 LYS 48 3HG LYS 48 13.249 8.890 -8.715 378 HD2 LYS 48 2HD LYS 48 13.795 11.256 -8.957 379 HD3 LYS 48 3HD LYS 48 12.176 11.065 -8.291 380 HE2 LYS 48 2HE LYS 48 13.402 12.888 -7.178 381 HE3 LYS 48 3HE LYS 48 13.019 11.597 -6.042 382 HZ1 LYS 48 3HZ LYS 48 15.641 12.067 -7.348 383 HZ2 LYS 48 1HZ LYS 48 15.291 10.771 -6.319 384 HZ3 LYS 48 2HZ LYS 48 15.257 12.352 -5.728 385 H ASP 49 H ASP 49 9.701 9.529 -5.176 386 HA ASP 49 HA ASP 49 10.082 7.698 -2.998 387 HB2 ASP 49 2HB ASP 49 9.563 10.246 -2.888 388 HB3 ASP 49 3HB ASP 49 7.891 9.814 -3.200 389 H ALA 50 H ALA 50 9.363 5.655 -3.578 390 HA ALA 50 HA ALA 50 7.098 5.337 -5.326 391 HB1 ALA 50 3HB ALA 50 8.833 3.219 -4.074 392 HB2 ALA 50 1HB ALA 50 9.169 4.051 -5.590 393 HB3 ALA 50 2HB ALA 50 7.743 3.023 -5.449 394 H LYS 51 H LYS 51 7.610 4.853 -1.839 395 HA LYS 51 HA LYS 51 5.258 3.302 -1.403 396 HB2 LYS 51 2HB LYS 51 5.450 3.708 0.932 397 HB3 LYS 51 3HB LYS 51 7.100 3.662 0.336 398 HG2 LYS 51 2HG LYS 51 5.607 6.260 0.813 399 HG3 LYS 51 3HG LYS 51 6.538 5.456 2.073 400 HD2 LYS 51 2HD LYS 51 7.758 6.244 -0.593 401 HD3 LYS 51 3HD LYS 51 7.702 7.344 0.784 402 HE2 LYS 51 2HE LYS 51 9.054 5.815 2.119 403 HE3 LYS 51 3HE LYS 51 9.013 4.608 0.830 404 HZ1 LYS 51 3HZ LYS 51 11.081 5.920 0.919 405 HZ2 LYS 51 1HZ LYS 51 10.201 7.309 0.518 406 HZ3 LYS 51 2HZ LYS 51 10.291 6.014 -0.568 407 H LEU 52 H LEU 52 5.749 6.662 -2.066 408 HA LEU 52 HA LEU 52 3.178 7.641 -1.262 409 HB2 LEU 52 2HB LEU 52 5.604 8.794 -2.067 410 HB3 LEU 52 3HB LEU 52 4.579 9.123 -3.447 411 HG LEU 52 HG LEU 52 4.614 11.009 -1.858 412 HD11 LEU 52 1HD1 LEU 52 1.882 9.682 -1.927 413 HD12 LEU 52 2HD1 LEU 52 2.581 10.701 -3.188 414 HD13 LEU 52 3HD1 LEU 52 2.206 11.390 -1.613 415 HD21 LEU 52 3HD2 LEU 52 3.641 10.830 0.396 416 HD22 LEU 52 1HD2 LEU 52 5.034 9.765 0.222 417 HD23 LEU 52 2HD2 LEU 52 3.400 9.096 0.177 418 H TYR 53 H TYR 53 4.562 6.356 -4.268 419 HA TYR 53 HA TYR 53 2.288 6.548 -5.943 420 HB2 TYR 53 2HB TYR 53 4.648 4.625 -5.918 421 HB3 TYR 53 3HB TYR 53 3.360 4.472 -7.104 422 HD1 TYR 53 HD2 TYR 53 6.130 6.693 -5.955 423 HD2 TYR 53 HD1 TYR 53 3.234 5.936 -8.999 424 HE1 TYR 53 HE2 TYR 53 7.279 8.279 -7.444 425 HE2 TYR 53 HE1 TYR 53 4.368 7.519 -10.474 426 HH TYR 53 HH TYR 53 7.475 8.688 -9.913 427 H SER 54 H SER 54 3.380 3.985 -3.730 428 HA SER 54 HA SER 54 1.246 2.167 -4.272 429 HB2 SER 54 2HB SER 54 3.517 1.491 -3.426 430 HB3 SER 54 3HB SER 54 3.116 2.203 -1.862 431 HG SER 54 HG SER 54 1.144 0.688 -2.175 432 H ASN 55 H ASN 55 1.533 4.934 -2.218 433 HA ASN 55 HA ASN 55 -0.352 4.311 -0.193 434 HB2 ASN 55 2HB ASN 55 1.382 6.217 -0.223 435 HB3 ASN 55 3HB ASN 55 0.261 7.116 -1.236 436 HD21 ASN 55 1HD2 ASN 55 1.226 7.905 1.319 437 HD22 ASN 55 2HD2 ASN 55 -0.129 8.026 2.383 438 H ARG 56 H ARG 56 -0.695 5.781 -3.425 439 HA ARG 56 HA ARG 56 -3.481 6.415 -3.172 440 HB2 ARG 56 2HB ARG 56 -3.424 7.110 -5.415 441 HB3 ARG 56 3HB ARG 56 -1.771 7.380 -4.877 442 HG2 ARG 56 2HG ARG 56 -1.164 5.155 -5.942 443 HG3 ARG 56 3HG ARG 56 -2.790 5.111 -6.616 444 HD2 ARG 56 2HD ARG 56 -2.304 7.305 -7.745 445 HD3 ARG 56 3HD ARG 56 -0.639 7.177 -7.175 446 HE ARG 56 HE ARG 56 -1.918 5.661 -9.303 447 HH11 ARG 56 1HH1 ARG 56 0.929 5.841 -7.251 448 HH12 ARG 56 2HH1 ARG 56 1.894 4.887 -8.336 449 HH21 ARG 56 1HH2 ARG 56 -0.610 4.519 -10.710 450 HH22 ARG 56 2HH2 ARG 56 1.032 4.146 -10.277 451 H ALA 57 H ALA 57 -1.688 3.552 -4.150 452 HA ALA 57 HA ALA 57 -3.840 1.979 -5.138 453 HB1 ALA 57 3HB ALA 57 -1.479 1.398 -5.538 454 HB2 ALA 57 1HB ALA 57 -2.350 0.059 -4.789 455 HB3 ALA 57 2HB ALA 57 -1.265 1.061 -3.820 456 H ALA 58 H ALA 58 -2.424 2.431 -1.940 457 HA ALA 58 HA ALA 58 -4.063 0.667 -0.450 458 HB1 ALA 58 3HB ALA 58 -2.630 3.190 0.459 459 HB2 ALA 58 1HB ALA 58 -1.932 1.570 0.396 460 HB3 ALA 58 2HB ALA 58 -3.252 1.915 1.514 461 H CYS 59 H CYS 59 -4.596 3.888 -1.708 462 HA CYS 59 HA CYS 59 -7.027 4.398 -0.218 463 HB2 CYS 59 2HB CYS 59 -5.635 6.273 -0.964 464 HB3 CYS 59 3HB CYS 59 -5.855 5.809 -2.650 465 HG CYS 59 HG CYS 59 -7.497 8.004 -1.148 466 H TYR 60 H TYR 60 -6.182 3.161 -3.474 467 HA TYR 60 HA TYR 60 -8.713 3.178 -4.664 468 HB2 TYR 60 2HB TYR 60 -6.379 1.292 -5.106 469 HB3 TYR 60 3HB TYR 60 -7.845 1.209 -6.077 470 HD1 TYR 60 HD1 TYR 60 -8.438 4.140 -6.479 471 HD2 TYR 60 HD2 TYR 60 -4.746 1.995 -6.678 472 HE1 TYR 60 HE1 TYR 60 -7.544 5.806 -8.053 473 HE2 TYR 60 HE2 TYR 60 -3.867 3.664 -8.235 474 HH TYR 60 HH TYR 60 -4.670 5.311 -9.820 475 H THR 61 H THR 61 -7.376 0.848 -2.368 476 HA THR 61 HA THR 61 -9.266 -1.216 -2.546 477 HB THR 61 HB THR 61 -8.760 -1.727 -0.155 478 HG1 THR 61 HG1 THR 61 -6.918 0.354 0.051 479 HG21 THR 61 3HG2 THR 61 -7.153 -2.480 -1.877 480 HG22 THR 61 1HG2 THR 61 -6.341 -2.094 -0.356 481 HG23 THR 61 2HG2 THR 61 -6.261 -0.966 -1.710 482 H LYS 62 H LYS 62 -9.443 1.930 -0.921 483 HA LYS 62 HA LYS 62 -11.820 1.454 0.613 484 HB2 LYS 62 2HB LYS 62 -10.735 4.163 -0.280 485 HB3 LYS 62 3HB LYS 62 -11.765 3.838 1.114 486 HG2 LYS 62 2HG LYS 62 -8.876 2.989 0.757 487 HG3 LYS 62 3HG LYS 62 -9.471 4.270 1.820 488 HD2 LYS 62 2HD LYS 62 -10.634 2.628 3.214 489 HD3 LYS 62 3HD LYS 62 -10.203 1.325 2.101 490 HE2 LYS 62 2HE LYS 62 -7.805 1.691 2.619 491 HE3 LYS 62 3HE LYS 62 -8.256 2.963 3.761 492 HZ1 LYS 62 3HZ LYS 62 -9.523 1.294 5.007 493 HZ2 LYS 62 1HZ LYS 62 -7.881 0.910 4.914 494 HZ3 LYS 62 2HZ LYS 62 -8.996 0.091 3.945 495 H LEU 63 H LEU 63 -11.130 2.614 -2.589 496 HA LEU 63 HA LEU 63 -13.860 3.428 -3.210 497 HB2 LEU 63 2HB LEU 63 -11.470 3.155 -5.073 498 HB3 LEU 63 3HB LEU 63 -12.951 4.059 -5.372 499 HG LEU 63 HG LEU 63 -10.826 4.761 -3.303 500 HD11 LEU 63 1HD1 LEU 63 -10.047 5.149 -5.570 501 HD12 LEU 63 2HD1 LEU 63 -10.341 6.680 -4.751 502 HD13 LEU 63 3HD1 LEU 63 -11.500 6.084 -5.942 503 HD21 LEU 63 3HD2 LEU 63 -12.086 6.876 -2.980 504 HD22 LEU 63 1HD2 LEU 63 -13.013 5.460 -2.480 505 HD23 LEU 63 2HD2 LEU 63 -13.376 6.256 -4.013 506 H LEU 64 H LEU 64 -12.565 0.486 -2.769 507 HA LEU 64 HA LEU 64 -13.007 -1.626 -3.354 508 HB2 LEU 64 2HB LEU 64 -15.376 -0.346 -4.766 509 HB3 LEU 64 3HB LEU 64 -15.100 -2.073 -4.834 510 HG LEU 64 HG LEU 64 -16.784 -1.618 -3.152 511 HD11 LEU 64 1HD1 LEU 64 -15.823 -2.695 -1.173 512 HD12 LEU 64 2HD1 LEU 64 -14.193 -2.378 -1.773 513 HD13 LEU 64 3HD1 LEU 64 -15.264 -3.467 -2.656 514 HD21 LEU 64 3HD2 LEU 64 -16.226 0.727 -2.632 515 HD22 LEU 64 1HD2 LEU 64 -14.804 0.195 -1.729 516 HD23 LEU 64 2HD2 LEU 64 -16.424 -0.234 -1.169 517 H GLU 65 H GLU 65 -11.509 0.379 -5.204 518 HA GLU 65 HA GLU 65 -11.426 -1.024 -7.758 519 HB2 GLU 65 2HB GLU 65 -9.921 1.410 -6.685 520 HB3 GLU 65 3HB GLU 65 -9.762 0.788 -8.324 521 HG2 GLU 65 2HG GLU 65 -12.299 1.908 -7.094 522 HG3 GLU 65 3HG GLU 65 -11.239 2.754 -8.223 523 H PHE 66 H PHE 66 -10.759 -2.826 -5.948 524 HA PHE 66 HA PHE 66 -8.135 -2.994 -4.976 525 HB2 PHE 66 2HB PHE 66 -10.199 -5.122 -5.613 526 HB3 PHE 66 3HB PHE 66 -8.625 -5.532 -4.942 527 HD1 PHE 66 HD2 PHE 66 -11.820 -3.769 -4.240 528 HD2 PHE 66 HD1 PHE 66 -8.115 -5.170 -2.622 529 HE1 PHE 66 HE2 PHE 66 -12.655 -3.377 -1.960 530 HE2 PHE 66 HE1 PHE 66 -8.961 -4.775 -0.349 531 HZ PHE 66 HZ PHE 66 -11.228 -3.877 -0.019 532 H GLN 67 H GLN 67 -9.462 -3.849 -8.122 533 HA GLN 67 HA GLN 67 -7.351 -5.274 -9.269 534 HB2 GLN 67 2HB GLN 67 -9.201 -3.238 -10.586 535 HB3 GLN 67 3HB GLN 67 -8.175 -4.368 -11.466 536 HG2 GLN 67 2HG GLN 67 -10.455 -5.131 -9.618 537 HG3 GLN 67 3HG GLN 67 -10.527 -5.105 -11.377 538 HE21 GLN 67 1HE2 GLN 67 -9.361 -6.827 -8.581 539 HE22 GLN 67 2HE2 GLN 67 -8.852 -8.252 -9.415 540 H LEU 68 H LEU 68 -7.824 -1.791 -8.835 541 HA LEU 68 HA LEU 68 -5.403 -1.047 -10.261 542 HB2 LEU 68 2HB LEU 68 -7.057 0.769 -8.468 543 HB3 LEU 68 3HB LEU 68 -5.971 1.226 -9.772 544 HG LEU 68 HG LEU 68 -8.764 0.053 -9.980 545 HD11 LEU 68 1HD1 LEU 68 -7.545 2.614 -11.057 546 HD12 LEU 68 2HD1 LEU 68 -8.654 2.463 -9.690 547 HD13 LEU 68 3HD1 LEU 68 -9.209 2.079 -11.318 548 HD21 LEU 68 3HD2 LEU 68 -7.456 -1.190 -11.619 549 HD22 LEU 68 1HD2 LEU 68 -6.788 0.307 -12.274 550 HD23 LEU 68 2HD2 LEU 68 -8.509 -0.042 -12.438 551 H ALA 69 H ALA 69 -6.484 -1.567 -6.973 552 HA ALA 69 HA ALA 69 -4.304 -0.479 -5.549 553 HB1 ALA 69 3HB ALA 69 -6.458 -1.036 -4.500 554 HB2 ALA 69 1HB ALA 69 -5.113 -1.803 -3.654 555 HB3 ALA 69 2HB ALA 69 -6.137 -2.754 -4.736 556 H LEU 70 H LEU 70 -4.745 -3.577 -7.173 557 HA LEU 70 HA LEU 70 -2.388 -4.848 -6.163 558 HB2 LEU 70 2HB LEU 70 -3.902 -5.329 -8.760 559 HB3 LEU 70 3HB LEU 70 -2.650 -6.383 -8.117 560 HG LEU 70 HG LEU 70 -5.350 -5.845 -6.814 561 HD11 LEU 70 1HD1 LEU 70 -4.351 -8.342 -8.214 562 HD12 LEU 70 2HD1 LEU 70 -5.561 -7.214 -8.830 563 HD13 LEU 70 3HD1 LEU 70 -5.903 -8.162 -7.386 564 HD21 LEU 70 3HD2 LEU 70 -3.158 -7.746 -5.917 565 HD22 LEU 70 1HD2 LEU 70 -4.769 -7.608 -5.203 566 HD23 LEU 70 2HD2 LEU 70 -3.643 -6.258 -5.101 567 H LYS 71 H LYS 71 -3.018 -3.284 -9.339 568 HA LYS 71 HA LYS 71 -0.344 -3.689 -10.257 569 HB2 LYS 71 2HB LYS 71 -1.056 -2.310 -12.250 570 HB3 LYS 71 3HB LYS 71 -2.030 -3.737 -11.926 571 HG2 LYS 71 2HG LYS 71 -3.829 -2.420 -11.027 572 HG3 LYS 71 3HG LYS 71 -2.844 -0.957 -11.025 573 HD2 LYS 71 2HD LYS 71 -3.719 -2.463 -13.528 574 HD3 LYS 71 3HD LYS 71 -4.500 -1.009 -12.895 575 HE2 LYS 71 2HE LYS 71 -1.636 -1.212 -13.892 576 HE3 LYS 71 3HE LYS 71 -2.979 -0.434 -14.729 577 HZ1 LYS 71 3HZ LYS 71 -2.010 0.424 -12.056 578 HZ2 LYS 71 1HZ LYS 71 -3.098 1.225 -13.067 579 HZ3 LYS 71 2HZ LYS 71 -1.475 1.102 -13.510 580 H ASP 72 H ASP 72 -1.979 -0.839 -8.935 581 HA ASP 72 HA ASP 72 0.175 0.991 -9.467 582 HB2 ASP 72 2HB ASP 72 -2.282 1.250 -7.680 583 HB3 ASP 72 3HB ASP 72 -1.124 2.554 -7.943 584 H CYS 73 H CYS 73 -0.514 -1.271 -6.926 585 HA CYS 73 HA CYS 73 1.466 -0.224 -5.071 586 HB2 CYS 73 2HB CYS 73 -0.452 -1.524 -4.235 587 HB3 CYS 73 3HB CYS 73 0.064 -2.927 -5.164 588 HG CYS 73 HG CYS 73 2.064 -1.561 -2.765 589 H GLU 74 H GLU 74 1.336 -2.883 -7.480 590 HA GLU 74 HA GLU 74 3.926 -3.905 -6.730 591 HB2 GLU 74 2HB GLU 74 3.679 -5.489 -8.559 592 HB3 GLU 74 3HB GLU 74 2.188 -5.387 -7.627 593 HG2 GLU 74 2HG GLU 74 1.250 -3.876 -9.373 594 HG3 GLU 74 3HG GLU 74 2.720 -4.110 -10.319 595 H GLU 75 H GLU 75 2.913 -1.465 -9.055 596 HA GLU 75 HA GLU 75 5.252 -1.418 -10.671 597 HB2 GLU 75 2HB GLU 75 4.666 0.935 -11.194 598 HB3 GLU 75 3HB GLU 75 3.270 -0.129 -11.324 599 HG2 GLU 75 2HG GLU 75 2.329 0.688 -9.285 600 HG3 GLU 75 3HG GLU 75 3.825 1.499 -8.832 601 H CYS 76 H CYS 76 4.576 -0.246 -7.468 602 HA CYS 76 HA CYS 76 6.617 1.622 -7.086 603 HB2 CYS 76 2HB CYS 76 4.761 1.516 -5.565 604 HB3 CYS 76 3HB CYS 76 5.126 -0.150 -5.130 605 HG CYS 76 HG CYS 76 7.764 0.892 -4.150 606 H ILE 77 H ILE 77 6.694 -1.903 -6.963 607 HA ILE 77 HA ILE 77 9.099 -2.346 -5.579 608 HB ILE 77 HB ILE 77 7.328 -4.058 -6.499 609 HG12 ILE 77 2HG1 ILE 77 9.500 -4.621 -5.165 610 HG13 ILE 77 3HG1 ILE 77 8.722 -5.916 -6.055 611 HG21 ILE 77 1HG2 ILE 77 7.595 -3.566 -8.889 612 HG22 ILE 77 2HG2 ILE 77 7.922 -5.264 -8.554 613 HG23 ILE 77 3HG2 ILE 77 9.259 -4.151 -8.845 614 HD11 ILE 77 3HD1 ILE 77 11.141 -6.021 -6.227 615 HD12 ILE 77 1HD1 ILE 77 11.183 -4.410 -6.943 616 HD13 ILE 77 2HD1 ILE 77 10.411 -5.741 -7.806 617 H GLN 78 H GLN 78 8.580 -1.125 -8.809 618 HA GLN 78 HA GLN 78 11.153 -1.781 -9.904 619 HB2 GLN 78 2HB GLN 78 9.012 0.152 -10.894 620 HB3 GLN 78 3HB GLN 78 10.414 -0.370 -11.827 621 HG2 GLN 78 2HG GLN 78 8.221 -2.206 -10.800 622 HG3 GLN 78 3HG GLN 78 8.330 -1.581 -12.446 623 HE21 GLN 78 1HE2 GLN 78 8.416 -4.356 -11.358 624 HE22 GLN 78 2HE2 GLN 78 9.858 -5.055 -12.002 625 H LEU 79 H LEU 79 9.738 1.110 -8.416 626 HA LEU 79 HA LEU 79 12.125 2.725 -8.878 627 HB2 LEU 79 2HB LEU 79 9.642 3.373 -7.238 628 HB3 LEU 79 3HB LEU 79 10.882 4.515 -7.735 629 HG LEU 79 HG LEU 79 8.968 3.063 -9.615 630 HD11 LEU 79 1HD1 LEU 79 7.907 5.260 -9.946 631 HD12 LEU 79 2HD1 LEU 79 8.972 5.967 -8.728 632 HD13 LEU 79 3HD1 LEU 79 7.797 4.733 -8.267 633 HD21 LEU 79 3HD2 LEU 79 11.095 3.506 -10.737 634 HD22 LEU 79 1HD2 LEU 79 11.038 5.200 -10.239 635 HD23 LEU 79 2HD2 LEU 79 9.842 4.567 -11.373 636 H GLU 80 H GLU 80 10.436 1.241 -6.150 637 HA GLU 80 HA GLU 80 12.808 1.153 -4.481 638 HB2 GLU 80 2HB GLU 80 12.004 3.362 -3.912 639 HB3 GLU 80 3HB GLU 80 10.351 2.789 -3.784 640 HG2 GLU 80 2HG GLU 80 11.002 1.453 -1.775 641 HG3 GLU 80 3HG GLU 80 12.617 2.167 -1.881 642 HA PRO 81 HA PRO 81 10.192 -2.594 -3.939 643 HB2 PRO 81 2HB PRO 81 12.174 -4.371 -3.447 644 HB3 PRO 81 3HB PRO 81 11.940 -3.685 -5.069 645 HG2 PRO 81 2HG PRO 81 13.937 -2.910 -2.970 646 HG3 PRO 81 3HG PRO 81 14.170 -3.128 -4.719 647 HD2 PRO 81 2HD PRO 81 13.800 -0.667 -3.511 648 HD3 PRO 81 3HD PRO 81 13.419 -1.006 -5.212 649 H THR 82 H THR 82 11.754 -0.747 -1.631 650 HA THR 82 HA THR 82 11.411 -2.612 0.620 651 HB THR 82 HB THR 82 12.643 -0.890 1.927 652 HG1 THR 82 HG1 THR 82 12.191 1.041 1.015 653 HG21 THR 82 3HG2 THR 82 14.008 -1.559 -0.713 654 HG22 THR 82 1HG2 THR 82 13.944 -2.613 0.704 655 HG23 THR 82 2HG2 THR 82 14.820 -1.084 0.780 656 H PHE 83 H PHE 83 9.243 -0.963 -0.962 657 HA PHE 83 HA PHE 83 8.021 0.688 1.023 658 HB2 PHE 83 2HB PHE 83 6.176 0.910 -0.519 659 HB3 PHE 83 3HB PHE 83 7.670 0.988 -1.438 660 HD1 PHE 83 HD1 PHE 83 8.427 -1.232 -2.648 661 HD2 PHE 83 HD2 PHE 83 4.500 -0.578 -1.135 662 HE1 PHE 83 HE1 PHE 83 7.561 -2.977 -4.150 663 HE2 PHE 83 HE2 PHE 83 3.626 -2.315 -2.651 664 HZ PHE 83 HZ PHE 83 5.160 -3.513 -4.159 665 H ILE 84 H ILE 84 7.640 -0.341 2.871 666 HA ILE 84 HA ILE 84 6.947 -3.120 3.109 667 HB ILE 84 HB ILE 84 7.181 -0.879 5.174 668 HG12 ILE 84 2HG1 ILE 84 9.058 -3.176 4.418 669 HG13 ILE 84 3HG1 ILE 84 9.321 -1.468 4.096 670 HG21 ILE 84 1HG2 ILE 84 7.153 -2.621 6.918 671 HG22 ILE 84 2HG2 ILE 84 6.799 -3.848 5.700 672 HG23 ILE 84 3HG2 ILE 84 5.628 -2.571 6.035 673 HD11 ILE 84 3HD1 ILE 84 9.298 -2.806 6.796 674 HD12 ILE 84 1HD1 ILE 84 9.482 -1.069 6.528 675 HD13 ILE 84 2HD1 ILE 84 10.696 -2.193 5.918 676 H LYS 85 H LYS 85 5.263 -0.070 3.593 677 HA LYS 85 HA LYS 85 2.906 -1.118 4.782 678 HB2 LYS 85 2HB LYS 85 3.396 1.569 3.437 679 HB3 LYS 85 3HB LYS 85 2.040 1.188 4.487 680 HG2 LYS 85 2HG LYS 85 4.943 1.171 5.380 681 HG3 LYS 85 3HG LYS 85 3.856 2.542 5.565 682 HD2 LYS 85 2HD LYS 85 3.770 1.550 7.687 683 HD3 LYS 85 3HD LYS 85 2.339 0.879 6.914 684 HE2 LYS 85 2HE LYS 85 3.563 -1.216 6.471 685 HE3 LYS 85 3HE LYS 85 5.015 -0.536 7.204 686 HZ1 LYS 85 3HZ LYS 85 3.827 -0.370 9.296 687 HZ2 LYS 85 1HZ LYS 85 3.829 -1.964 8.735 688 HZ3 LYS 85 2HZ LYS 85 2.433 -1.020 8.591 689 H GLY 86 H GLY 86 3.863 -0.489 1.465 690 HA2 GLY 86 2HA GLY 86 1.309 -0.748 0.228 691 HA3 GLY 86 3HA GLY 86 2.872 -0.946 -0.549 692 H TYR 87 H TYR 87 3.926 -3.084 0.938 693 HA TYR 87 HA TYR 87 2.736 -5.359 -0.236 694 HB2 TYR 87 2HB TYR 87 4.756 -5.075 2.011 695 HB3 TYR 87 3HB TYR 87 4.217 -6.657 1.456 696 HD1 TYR 87 HD2 TYR 87 4.145 -6.565 -1.402 697 HD2 TYR 87 HD1 TYR 87 6.941 -4.658 1.204 698 HE1 TYR 87 HE2 TYR 87 5.825 -6.586 -3.184 699 HE2 TYR 87 HE1 TYR 87 8.618 -4.677 -0.589 700 HH TYR 87 HH TYR 87 7.881 -5.237 -3.786 701 H THR 88 H THR 88 2.241 -3.869 2.903 702 HA THR 88 HA THR 88 0.864 -6.044 4.134 703 HB THR 88 HB THR 88 0.594 -3.092 4.881 704 HG1 THR 88 HG1 THR 88 2.810 -4.722 4.928 705 HG21 THR 88 3HG2 THR 88 0.485 -5.632 6.561 706 HG22 THR 88 1HG2 THR 88 -0.903 -4.636 6.114 707 HG23 THR 88 2HG2 THR 88 0.345 -3.987 7.179 708 H ARG 89 H ARG 89 -0.146 -3.285 2.163 709 HA ARG 89 HA ARG 89 -3.003 -3.831 2.387 710 HB2 ARG 89 2HB ARG 89 -1.306 -1.742 1.044 711 HB3 ARG 89 3HB ARG 89 -2.880 -2.045 0.329 712 HG2 ARG 89 2HG ARG 89 -2.911 -0.144 1.872 713 HG3 ARG 89 3HG ARG 89 -4.004 -1.422 2.389 714 HD2 ARG 89 2HD ARG 89 -1.224 -1.275 3.560 715 HD3 ARG 89 3HD ARG 89 -2.480 -0.179 4.142 716 HE ARG 89 HE ARG 89 -3.473 -2.817 4.156 717 HH11 ARG 89 1HH1 ARG 89 -1.165 -0.837 5.941 718 HH12 ARG 89 2HH1 ARG 89 -1.352 -1.744 7.409 719 HH21 ARG 89 1HH2 ARG 89 -3.682 -3.991 6.072 720 HH22 ARG 89 2HH2 ARG 89 -2.782 -3.527 7.478 721 H LYS 90 H LYS 90 -0.386 -4.621 0.212 722 HA LYS 90 HA LYS 90 -1.864 -5.325 -2.101 723 HB2 LYS 90 2HB LYS 90 0.565 -4.813 -2.141 724 HB3 LYS 90 3HB LYS 90 0.896 -6.244 -1.173 725 HG2 LYS 90 2HG LYS 90 1.445 -6.683 -3.489 726 HG3 LYS 90 3HG LYS 90 0.058 -7.675 -3.024 727 HD2 LYS 90 2HD LYS 90 -1.472 -6.148 -4.177 728 HD3 LYS 90 3HD LYS 90 -0.145 -5.042 -4.551 729 HE2 LYS 90 2HE LYS 90 -0.427 -7.888 -5.589 730 HE3 LYS 90 3HE LYS 90 -0.758 -6.418 -6.507 731 HZ1 LYS 90 3HZ LYS 90 1.855 -7.335 -5.468 732 HZ2 LYS 90 1HZ LYS 90 1.601 -5.797 -6.119 733 HZ3 LYS 90 2HZ LYS 90 1.388 -7.171 -7.082 734 H ALA 91 H ALA 91 -0.404 -7.250 0.498 735 HA ALA 91 HA ALA 91 -1.390 -9.780 -0.324 736 HB1 ALA 91 3HB ALA 91 -0.429 -8.879 2.407 737 HB2 ALA 91 1HB ALA 91 0.593 -9.479 1.103 738 HB3 ALA 91 2HB ALA 91 -0.590 -10.548 1.853 739 H ALA 92 H ALA 92 -2.605 -7.262 1.850 740 HA ALA 92 HA ALA 92 -4.843 -8.575 2.940 741 HB1 ALA 92 3HB ALA 92 -4.032 -6.405 3.762 742 HB2 ALA 92 1HB ALA 92 -5.745 -6.318 3.346 743 HB3 ALA 92 2HB ALA 92 -4.533 -5.632 2.258 744 H ALA 93 H ALA 93 -4.418 -6.782 -0.095 745 HA ALA 93 HA ALA 93 -7.091 -6.984 -1.034 746 HB1 ALA 93 3HB ALA 93 -5.505 -5.341 -1.940 747 HB2 ALA 93 1HB ALA 93 -6.167 -6.352 -3.225 748 HB3 ALA 93 2HB ALA 93 -4.528 -6.638 -2.629 749 H LEU 94 H LEU 94 -4.168 -8.970 -1.628 750 HA LEU 94 HA LEU 94 -5.230 -10.879 -3.380 751 HB2 LEU 94 2HB LEU 94 -3.027 -11.188 -1.310 752 HB3 LEU 94 3HB LEU 94 -3.361 -12.369 -2.569 753 HG LEU 94 HG LEU 94 -2.487 -9.494 -3.086 754 HD11 LEU 94 1HD1 LEU 94 -0.302 -10.408 -3.710 755 HD12 LEU 94 2HD1 LEU 94 -0.829 -12.029 -3.251 756 HD13 LEU 94 3HD1 LEU 94 -0.683 -10.767 -2.027 757 HD21 LEU 94 3HD2 LEU 94 -3.832 -10.376 -4.928 758 HD22 LEU 94 1HD2 LEU 94 -2.814 -11.818 -5.019 759 HD23 LEU 94 2HD2 LEU 94 -2.147 -10.231 -5.418 760 H GLU 95 H GLU 95 -5.288 -10.767 0.161 761 HA GLU 95 HA GLU 95 -6.428 -13.295 0.712 762 HB2 GLU 95 2HB GLU 95 -5.337 -11.712 2.353 763 HB3 GLU 95 3HB GLU 95 -6.770 -10.702 2.301 764 HG2 GLU 95 2HG GLU 95 -6.842 -13.604 3.169 765 HG3 GLU 95 3HG GLU 95 -6.471 -12.308 4.297 766 H ALA 96 H ALA 96 -7.819 -10.195 -0.267 767 HA ALA 96 HA ALA 96 -10.591 -11.025 0.081 768 HB1 ALA 96 3HB ALA 96 -9.938 -8.672 0.424 769 HB2 ALA 96 1HB ALA 96 -11.122 -8.813 -0.879 770 HB3 ALA 96 2HB ALA 96 -9.414 -8.559 -1.257 771 H MET 97 H MET 97 -8.232 -11.779 -2.177 772 HA MET 97 HA MET 97 -10.104 -12.070 -4.461 773 HB2 MET 97 2HB MET 97 -7.063 -12.360 -4.401 774 HB3 MET 97 3HB MET 97 -8.086 -12.436 -5.833 775 HG2 MET 97 2HG MET 97 -7.608 -10.022 -4.092 776 HG3 MET 97 3HG MET 97 -6.961 -10.300 -5.709 777 HE1 MET 97 3HE MET 97 -9.456 -7.411 -6.349 778 HE2 MET 97 1HE MET 97 -7.828 -8.022 -6.644 779 HE3 MET 97 2HE MET 97 -8.345 -7.642 -4.999 780 H LYS 98 H LYS 98 -9.380 -13.797 -1.841 781 HA LYS 98 HA LYS 98 -9.327 -15.947 -1.168 782 HB2 LYS 98 2HB LYS 98 -9.942 -16.654 -4.070 783 HB3 LYS 98 3HB LYS 98 -9.969 -17.800 -2.738 784 HG2 LYS 98 2HG LYS 98 -11.798 -15.389 -2.992 785 HG3 LYS 98 3HG LYS 98 -12.231 -17.040 -3.436 786 HD2 LYS 98 2HD LYS 98 -11.529 -16.052 -0.645 787 HD3 LYS 98 3HD LYS 98 -13.142 -16.457 -1.226 788 HE2 LYS 98 2HE LYS 98 -10.815 -18.386 -0.879 789 HE3 LYS 98 3HE LYS 98 -12.240 -18.281 0.150 790 HZ1 LYS 98 3HZ LYS 98 -13.588 -18.962 -1.741 791 HZ2 LYS 98 1HZ LYS 98 -12.406 -20.113 -1.376 792 HZ3 LYS 98 2HZ LYS 98 -12.206 -19.090 -2.704 793 H ASP 99 H ASP 99 -6.972 -14.530 -2.739 794 HA ASP 99 HA ASP 99 -5.310 -16.826 -3.481 795 HB2 ASP 99 2HB ASP 99 -5.006 -13.813 -3.794 796 HB3 ASP 99 3HB ASP 99 -3.642 -14.889 -4.064 797 H TYR 100 H TYR 100 -5.848 -16.966 -0.838 798 HA TYR 100 HA TYR 100 -4.291 -15.650 1.028 799 HB2 TYR 100 2HB TYR 100 -4.964 -18.610 1.193 800 HB3 TYR 100 3HB TYR 100 -4.726 -17.489 2.535 801 HD1 TYR 100 HD1 TYR 100 -6.337 -15.207 2.007 802 HD2 TYR 100 HD2 TYR 100 -7.210 -19.279 1.085 803 HE1 TYR 100 HE1 TYR 100 -8.718 -14.705 2.014 804 HE2 TYR 100 HE2 TYR 100 -9.606 -18.776 1.107 805 HH TYR 100 HH TYR 100 -11.102 -17.078 2.136 806 H THR 101 H THR 101 -3.436 -18.384 -0.998 807 HA THR 101 HA THR 101 -0.935 -19.087 0.073 808 HB THR 101 HB THR 101 -0.460 -19.957 -2.273 809 HG1 THR 101 HG1 THR 101 -2.966 -19.649 -3.239 810 HG21 THR 101 3HG2 THR 101 -3.166 -20.709 -1.106 811 HG22 THR 101 1HG2 THR 101 -1.606 -21.387 -0.627 812 HG23 THR 101 2HG2 THR 101 -2.231 -21.672 -2.250 813 H LYS 102 H LYS 102 -1.826 -16.676 -2.416 814 HA LYS 102 HA LYS 102 0.856 -15.849 -3.005 815 HB2 LYS 102 2HB LYS 102 -1.772 -14.398 -3.546 816 HB3 LYS 102 3HB LYS 102 -0.220 -14.019 -4.281 817 HG2 LYS 102 2HG LYS 102 -1.813 -16.571 -4.697 818 HG3 LYS 102 3HG LYS 102 -1.712 -15.218 -5.818 819 HD2 LYS 102 2HD LYS 102 -0.134 -16.603 -6.790 820 HD3 LYS 102 3HD LYS 102 0.917 -15.737 -5.673 821 HE2 LYS 102 2HE LYS 102 1.439 -18.087 -5.538 822 HE3 LYS 102 3HE LYS 102 0.637 -17.639 -4.045 823 HZ1 LYS 102 3HZ LYS 102 -1.421 -18.558 -4.936 824 HZ2 LYS 102 1HZ LYS 102 -0.194 -19.717 -4.874 825 HZ3 LYS 102 2HZ LYS 102 -0.614 -19.017 -6.352 826 H ALA 103 H ALA 103 -1.731 -14.706 -0.932 827 HA ALA 103 HA ALA 103 -0.716 -12.202 -0.191 828 HB1 ALA 103 3HB ALA 103 -2.358 -12.286 1.626 829 HB2 ALA 103 1HB ALA 103 -2.590 -14.020 1.368 830 HB3 ALA 103 2HB ALA 103 -3.070 -12.867 0.121 831 H MET 104 H MET 104 -0.502 -15.388 1.366 832 HA MET 104 HA MET 104 0.793 -14.519 3.721 833 HB2 MET 104 2HB MET 104 1.026 -16.838 4.291 834 HB3 MET 104 3HB MET 104 -0.522 -16.636 3.503 835 HG2 MET 104 2HG MET 104 0.356 -17.627 1.462 836 HG3 MET 104 3HG MET 104 1.960 -17.752 2.187 837 HE1 MET 104 3HE MET 104 -1.672 -20.117 3.817 838 HE2 MET 104 1HE MET 104 -1.804 -18.999 2.459 839 HE3 MET 104 2HE MET 104 -1.457 -18.389 4.079 840 H ASP 105 H ASP 105 2.031 -15.399 0.564 841 HA ASP 105 HA ASP 105 4.793 -15.639 1.254 842 HB2 ASP 105 2HB ASP 105 3.637 -14.638 -1.389 843 HB3 ASP 105 3HB ASP 105 5.270 -15.243 -1.129 844 H VAL 106 H VAL 106 2.659 -12.936 0.450 845 HA VAL 106 HA VAL 106 4.791 -10.981 0.168 846 HB VAL 106 HB VAL 106 1.760 -10.589 0.281 847 HG11 VAL 106 1HG1 VAL 106 3.904 -8.668 -0.713 848 HG12 VAL 106 2HG1 VAL 106 2.971 -8.495 0.775 849 HG13 VAL 106 3HG1 VAL 106 2.159 -8.402 -0.787 850 HG21 VAL 106 3HG2 VAL 106 2.441 -12.049 -1.591 851 HG22 VAL 106 1HG2 VAL 106 3.566 -10.814 -2.158 852 HG23 VAL 106 2HG2 VAL 106 1.826 -10.505 -2.175 853 H TYR 107 H TYR 107 2.553 -12.058 2.650 854 HA TYR 107 HA TYR 107 3.096 -10.061 4.610 855 HB2 TYR 107 2HB TYR 107 2.071 -12.921 4.856 856 HB3 TYR 107 3HB TYR 107 2.260 -11.857 6.246 857 HD1 TYR 107 HD1 TYR 107 1.225 -9.309 5.461 858 HD2 TYR 107 HD2 TYR 107 -0.236 -13.149 4.375 859 HE1 TYR 107 HE1 TYR 107 -1.020 -8.359 5.204 860 HE2 TYR 107 HE2 TYR 107 -2.474 -12.200 4.100 861 HH TYR 107 HH TYR 107 -3.798 -10.337 4.837 862 H GLN 108 H GLN 108 4.528 -13.214 3.825 863 HA GLN 108 HA GLN 108 6.491 -13.329 5.852 864 HB2 GLN 108 2HB GLN 108 5.725 -15.181 4.193 865 HB3 GLN 108 3HB GLN 108 6.831 -14.465 3.037 866 HG2 GLN 108 2HG GLN 108 7.780 -15.424 5.748 867 HG3 GLN 108 3HG GLN 108 7.618 -16.525 4.387 868 HE21 GLN 108 1HE2 GLN 108 9.380 -13.799 5.653 869 HE22 GLN 108 2HE2 GLN 108 10.727 -13.912 4.581 870 H LYS 109 H LYS 109 6.509 -11.938 2.566 871 HA LYS 109 HA LYS 109 9.172 -11.000 2.514 872 HB2 LYS 109 2HB LYS 109 6.712 -10.030 0.997 873 HB3 LYS 109 3HB LYS 109 8.352 -9.481 0.655 874 HG2 LYS 109 2HG LYS 109 7.419 -12.359 0.469 875 HG3 LYS 109 3HG LYS 109 7.538 -11.255 -0.899 876 HD2 LYS 109 2HD LYS 109 9.877 -12.105 0.856 877 HD3 LYS 109 3HD LYS 109 9.467 -12.833 -0.697 878 HE2 LYS 109 2HE LYS 109 9.794 -10.599 -1.785 879 HE3 LYS 109 3HE LYS 109 10.308 -9.948 -0.227 880 HZ1 LYS 109 3HZ LYS 109 12.112 -11.609 -0.229 881 HZ2 LYS 109 1HZ LYS 109 12.219 -10.523 -1.523 882 HZ3 LYS 109 2HZ LYS 109 11.651 -12.095 -1.781 883 H ALA 110 H ALA 110 6.160 -9.504 3.655 884 HA ALA 110 HA ALA 110 7.156 -6.906 4.191 885 HB1 ALA 110 3HB ALA 110 4.741 -7.406 4.140 886 HB2 ALA 110 1HB ALA 110 5.194 -6.647 5.668 887 HB3 ALA 110 2HB ALA 110 4.898 -8.388 5.597 888 H LEU 111 H LEU 111 6.822 -9.782 6.276 889 HA LEU 111 HA LEU 111 8.109 -8.771 8.597 890 HB2 LEU 111 2HB LEU 111 7.807 -11.626 7.595 891 HB3 LEU 111 3HB LEU 111 8.343 -11.197 9.213 892 HG LEU 111 HG LEU 111 5.598 -10.502 8.091 893 HD11 LEU 111 1HD1 LEU 111 4.706 -12.331 9.422 894 HD12 LEU 111 2HD1 LEU 111 6.318 -12.749 10.006 895 HD13 LEU 111 3HD1 LEU 111 5.917 -12.953 8.297 896 HD21 LEU 111 3HD2 LEU 111 5.013 -9.943 10.398 897 HD22 LEU 111 1HD2 LEU 111 6.380 -8.967 9.866 898 HD23 LEU 111 2HD2 LEU 111 6.644 -10.342 10.943 899 H ASP 112 H ASP 112 9.322 -10.145 5.644 900 HA ASP 112 HA ASP 112 11.984 -10.782 6.482 901 HB2 ASP 112 2HB ASP 112 10.968 -11.904 4.557 902 HB3 ASP 112 3HB ASP 112 10.739 -10.374 3.724 903 H LEU 113 H LEU 113 10.393 -7.958 5.069 904 HA LEU 113 HA LEU 113 12.796 -6.404 4.767 905 HB2 LEU 113 2HB LEU 113 9.890 -5.500 4.854 906 HB3 LEU 113 3HB LEU 113 11.255 -4.489 4.398 907 HG LEU 113 HG LEU 113 10.162 -6.875 2.860 908 HD11 LEU 113 1HD1 LEU 113 8.832 -4.843 2.611 909 HD12 LEU 113 2HD1 LEU 113 9.658 -5.239 1.108 910 HD13 LEU 113 3HD1 LEU 113 10.268 -3.935 2.129 911 HD21 LEU 113 3HD2 LEU 113 12.620 -5.219 2.202 912 HD22 LEU 113 1HD2 LEU 113 11.875 -6.421 1.143 913 HD23 LEU 113 2HD2 LEU 113 12.595 -6.922 2.670 914 H ASP 114 H ASP 114 10.277 -6.756 7.243 915 HA ASP 114 HA ASP 114 12.000 -5.864 9.342 916 HB2 ASP 114 2HB ASP 114 11.317 -3.651 8.357 917 HB3 ASP 114 3HB ASP 114 9.630 -4.046 8.665 918 H SER 115 H SER 115 11.408 -6.952 11.117 919 HA SER 115 HA SER 115 9.178 -8.688 11.243 920 HB2 SER 115 2HB SER 115 9.893 -9.032 13.636 921 HB3 SER 115 3HB SER 115 11.207 -9.206 12.474 922 HG SER 115 HG SER 115 11.747 -6.978 12.978 923 H SER 116 H SER 116 9.635 -5.345 12.269 924 HA SER 116 HA SER 116 7.503 -4.995 14.058 925 HB2 SER 116 2HB SER 116 8.456 -2.924 12.045 926 HB3 SER 116 3HB SER 116 7.674 -2.616 13.601 927 HG SER 116 HG SER 116 10.289 -3.247 13.009 928 H CYS 117 H CYS 117 7.403 -5.654 10.673 929 HA CYS 117 HA CYS 117 4.770 -4.782 10.065 930 HB2 CYS 117 2HB CYS 117 6.344 -7.087 8.868 931 HB3 CYS 117 3HB CYS 117 4.972 -6.253 8.127 932 HG CYS 117 HG CYS 117 8.086 -5.596 7.774 933 H LYS 118 H LYS 118 5.394 -6.723 12.568 934 HA LYS 118 HA LYS 118 3.839 -8.841 12.786 935 HB2 LYS 118 2HB LYS 118 3.560 -6.419 14.608 936 HB3 LYS 118 3HB LYS 118 3.063 -8.056 15.022 937 HG2 LYS 118 2HG LYS 118 5.902 -7.146 14.475 938 HG3 LYS 118 3HG LYS 118 5.203 -7.460 16.065 939 HD2 LYS 118 2HD LYS 118 5.603 -9.528 13.858 940 HD3 LYS 118 3HD LYS 118 6.619 -9.338 15.288 941 HE2 LYS 118 2HE LYS 118 4.710 -9.927 16.735 942 HE3 LYS 118 3HE LYS 118 3.672 -10.093 15.316 943 HZ1 LYS 118 3HZ LYS 118 4.367 -12.247 15.882 944 HZ2 LYS 118 1HZ LYS 118 5.982 -11.784 16.081 945 HZ3 LYS 118 2HZ LYS 118 5.300 -11.823 14.541 946 H GLU 119 H GLU 119 2.371 -5.597 12.270 947 HA GLU 119 HA GLU 119 -0.341 -6.229 12.478 948 HB2 GLU 119 2HB GLU 119 -0.783 -4.315 10.986 949 HB3 GLU 119 3HB GLU 119 0.459 -3.924 12.168 950 HG2 GLU 119 2HG GLU 119 2.212 -4.216 10.451 951 HG3 GLU 119 3HG GLU 119 0.982 -4.654 9.264 952 H ALA 120 H ALA 120 1.839 -6.647 9.734 953 HA ALA 120 HA ALA 120 -0.045 -7.799 7.912 954 HB1 ALA 120 3HB ALA 120 1.988 -6.623 7.151 955 HB2 ALA 120 1HB ALA 120 1.957 -8.275 6.548 956 HB3 ALA 120 2HB ALA 120 3.001 -7.856 7.902 957 H ALA 121 H ALA 121 1.934 -9.019 10.548 958 HA ALA 121 HA ALA 121 2.042 -11.773 9.691 959 HB1 ALA 121 3HB ALA 121 3.709 -10.868 11.252 960 HB2 ALA 121 1HB ALA 121 2.861 -12.242 11.960 961 HB3 ALA 121 2HB ALA 121 2.455 -10.596 12.459 962 H ASP 122 H ASP 122 -0.076 -9.822 11.759 963 HA ASP 122 HA ASP 122 -1.827 -11.902 12.589 964 HB2 ASP 122 2HB ASP 122 -1.794 -9.724 13.728 965 HB3 ASP 122 3HB ASP 122 -2.310 -8.906 12.257 966 H GLY 123 H GLY 123 -1.651 -9.852 9.718 967 HA2 GLY 123 2HA GLY 123 -4.024 -10.715 8.401 968 HA3 GLY 123 3HA GLY 123 -2.606 -10.008 7.632 969 H TYR 124 H TYR 124 -0.734 -12.031 8.582 970 HA TYR 124 HA TYR 124 -0.982 -14.093 6.671 971 HB2 TYR 124 2HB TYR 124 1.205 -13.523 7.551 972 HB3 TYR 124 3HB TYR 124 0.707 -13.906 9.190 973 HD1 TYR 124 HD1 TYR 124 0.318 -15.900 6.016 974 HD2 TYR 124 HD2 TYR 124 2.095 -15.697 9.898 975 HE1 TYR 124 HE1 TYR 124 1.186 -18.172 5.742 976 HE2 TYR 124 HE2 TYR 124 2.956 -17.983 9.615 977 HH TYR 124 HH TYR 124 2.394 -20.016 8.258 978 H GLN 125 H GLN 125 -1.423 -14.274 10.268 979 HA GLN 125 HA GLN 125 -2.461 -16.835 10.453 980 HB2 GLN 125 2HB GLN 125 -2.855 -14.372 12.140 981 HB3 GLN 125 3HB GLN 125 -3.841 -15.781 12.488 982 HG2 GLN 125 2HG GLN 125 -1.879 -15.684 13.936 983 HG3 GLN 125 3HG GLN 125 -1.848 -17.121 12.915 984 HE21 GLN 125 1HE2 GLN 125 -0.475 -13.943 13.387 985 HE22 GLN 125 2HE2 GLN 125 0.970 -14.217 12.488 986 H ARG 126 H ARG 126 -4.166 -13.853 9.603 987 HA ARG 126 HA ARG 126 -6.777 -14.855 9.393 988 HB2 ARG 126 2HB ARG 126 -6.492 -12.482 9.276 989 HB3 ARG 126 3HB ARG 126 -5.315 -12.598 7.976 990 HG2 ARG 126 2HG ARG 126 -7.416 -11.715 7.122 991 HG3 ARG 126 3HG ARG 126 -7.087 -13.293 6.409 992 HD2 ARG 126 2HD ARG 126 -8.646 -14.264 8.219 993 HD3 ARG 126 3HD ARG 126 -9.136 -12.592 8.532 994 HE ARG 126 HE ARG 126 -9.445 -12.811 5.862 995 HH11 ARG 126 1HH1 ARG 126 -10.647 -14.761 8.515 996 HH12 ARG 126 2HH1 ARG 126 -12.065 -15.265 7.657 997 HH21 ARG 126 1HH2 ARG 126 -11.237 -13.558 4.704 998 HH22 ARG 126 2HH2 ARG 126 -12.404 -14.582 5.488 999 H CYS 127 H CYS 127 -4.112 -14.858 6.958 1000 HA CYS 127 HA CYS 127 -5.805 -15.702 4.792 1001 HB2 CYS 127 2HB CYS 127 -2.792 -15.517 5.080 1002 HB3 CYS 127 3HB CYS 127 -3.574 -16.058 3.592 1003 HG CYS 127 HG CYS 127 -4.479 -13.091 4.960 1004 H MET 128 H MET 128 -3.410 -17.374 6.839 1005 HA MET 128 HA MET 128 -3.627 -19.896 5.593 1006 HB2 MET 128 2HB MET 128 -2.574 -20.827 7.645 1007 HB3 MET 128 3HB MET 128 -1.718 -19.436 7.000 1008 HG2 MET 128 2HG MET 128 -2.445 -18.037 8.765 1009 HG3 MET 128 3HG MET 128 -3.679 -19.184 9.279 1010 HE1 MET 128 3HE MET 128 -3.249 -21.339 10.642 1011 HE2 MET 128 1HE MET 128 -1.650 -21.983 11.017 1012 HE3 MET 128 2HE MET 128 -2.228 -21.979 9.352 1013 H MET 129 H MET 129 -5.441 -18.487 8.367 1014 HA MET 129 HA MET 129 -6.906 -20.924 8.885 1015 HB2 MET 129 2HB MET 129 -8.039 -19.777 10.623 1016 HB3 MET 129 3HB MET 129 -6.419 -19.100 10.627 1017 HG2 MET 129 2HG MET 129 -7.200 -17.084 9.528 1018 HG3 MET 129 3HG MET 129 -8.811 -17.769 9.329 1019 HE1 MET 129 3HE MET 129 -9.366 -19.196 12.101 1020 HE2 MET 129 1HE MET 129 -10.528 -18.153 11.276 1021 HE3 MET 129 2HE MET 129 -10.157 -17.889 12.982 1022 H ALA 130 H ALA 130 -7.305 -18.248 6.735 1023 HA ALA 130 HA ALA 130 -10.133 -18.248 6.446 1024 HB1 ALA 130 3HB ALA 130 -9.740 -16.869 4.452 1025 HB2 ALA 130 1HB ALA 130 -8.018 -17.263 4.507 1026 HB3 ALA 130 2HB ALA 130 -8.752 -16.324 5.809 1027 H GLN 131 H GLN 131 -7.523 -19.744 4.514 1028 HA GLN 131 HA GLN 131 -9.301 -21.212 2.799 1029 HB2 GLN 131 2HB GLN 131 -7.252 -22.552 2.193 1030 HB3 GLN 131 3HB GLN 131 -7.082 -20.821 1.962 1031 HG2 GLN 131 2HG GLN 131 -5.746 -20.615 3.960 1032 HG3 GLN 131 3HG GLN 131 -6.034 -22.302 4.378 1033 HE21 GLN 131 1HE2 GLN 131 -3.483 -21.162 4.128 1034 HE22 GLN 131 2HE2 GLN 131 -2.683 -21.957 2.822 1035 H TYR 132 H TYR 132 -7.944 -21.788 5.990 1036 HA TYR 132 HA TYR 132 -8.892 -24.593 6.013 1037 HB2 TYR 132 2HB TYR 132 -7.194 -23.119 8.083 1038 HB3 TYR 132 3HB TYR 132 -7.559 -24.842 8.080 1039 HD1 TYR 132 HD1 TYR 132 -7.056 -24.921 4.855 1040 HD2 TYR 132 HD2 TYR 132 -4.781 -23.638 8.246 1041 HE1 TYR 132 HE1 TYR 132 -4.977 -25.279 3.604 1042 HE2 TYR 132 HE2 TYR 132 -2.708 -24.030 6.996 1043 HH TYR 132 HH TYR 132 -2.649 -24.542 3.637 1044 H ASN 133 H ASN 133 -10.826 -22.397 6.045 1045 HA ASN 133 HA ASN 133 -11.915 -22.111 8.672 1046 HB2 ASN 133 2HB ASN 133 -13.158 -21.731 5.928 1047 HB3 ASN 133 3HB ASN 133 -14.101 -21.534 7.394 1048 HD21 ASN 133 1HD2 ASN 133 -11.775 -20.283 8.832 1049 HD22 ASN 133 2HD2 ASN 133 -11.679 -18.690 8.188 Start of MODEL 3 1 H1 MET 1 1H MET 1 15.450 8.928 -13.098 2 H2 MET 1 2H MET 1 16.124 10.338 -13.739 3 H3 MET 1 3H MET 1 14.586 9.845 -14.225 4 HA MET 1 HA MET 1 14.422 11.670 -12.718 5 HB2 MET 1 2HB MET 1 13.524 9.000 -11.554 6 HB3 MET 1 3HB MET 1 12.983 10.554 -10.939 7 HG2 MET 1 2HG MET 1 12.502 9.647 -13.785 8 HG3 MET 1 3HG MET 1 11.373 9.366 -12.465 9 HE1 MET 1 3HE MET 1 12.347 11.730 -15.306 10 HE2 MET 1 1HE MET 1 13.421 12.475 -14.120 11 HE3 MET 1 2HE MET 1 12.001 13.348 -14.694 12 H GLY 2 H GLY 2 15.852 12.770 -11.559 13 HA2 GLY 2 2HA GLY 2 17.935 11.656 -9.975 14 HA3 GLY 2 3HA GLY 2 17.487 13.352 -10.083 15 H HIS 3 H HIS 3 17.163 10.440 -8.311 16 HA HIS 3 HA HIS 3 15.715 11.854 -6.143 17 HB2 HIS 3 2HB HIS 3 14.762 9.709 -5.471 18 HB3 HIS 3 3HB HIS 3 14.341 10.065 -7.137 19 HD1 HIS 3 HD1 HIS 3 15.249 8.467 -8.955 20 HD2 HIS 3 HD2 HIS 3 16.404 7.444 -5.099 21 HE1 HIS 3 HE1 HIS 3 16.114 6.115 -9.108 22 HE2 HIS 3 HE2 HIS 3 16.525 5.451 -6.719 23 H HIS 4 H HIS 4 18.662 11.430 -6.875 24 HA HIS 4 HA HIS 4 19.761 9.894 -4.679 25 HB2 HIS 4 2HB HIS 4 20.870 10.169 -6.953 26 HB3 HIS 4 3HB HIS 4 21.193 11.848 -6.542 27 HD1 HIS 4 HD1 HIS 4 22.202 8.328 -5.594 28 HD2 HIS 4 HD2 HIS 4 23.445 12.234 -4.925 29 HE1 HIS 4 HE1 HIS 4 24.423 8.146 -4.447 30 HE2 HIS 4 HE2 HIS 4 25.233 10.513 -4.241 31 H HIS 5 H HIS 5 18.371 12.950 -4.954 32 HA HIS 5 HA HIS 5 19.768 14.604 -3.214 33 HB2 HIS 5 2HB HIS 5 17.795 15.312 -4.599 34 HB3 HIS 5 3HB HIS 5 16.735 14.419 -3.517 35 HD1 HIS 5 HD1 HIS 5 18.884 17.507 -3.650 36 HD2 HIS 5 HD2 HIS 5 16.118 15.732 -1.114 37 HE1 HIS 5 HE1 HIS 5 18.375 19.234 -1.895 38 HE2 HIS 5 HE2 HIS 5 16.811 18.078 -0.301 39 H HIS 6 H HIS 6 20.357 14.231 -1.203 40 HA HIS 6 HA HIS 6 19.482 12.057 0.382 41 HB2 HIS 6 2HB HIS 6 21.113 14.479 1.240 42 HB3 HIS 6 3HB HIS 6 21.036 12.929 2.073 43 HD1 HIS 6 HD1 HIS 6 21.465 11.079 -0.402 44 HD2 HIS 6 HD2 HIS 6 23.743 14.447 0.436 45 HE1 HIS 6 HE1 HIS 6 23.624 10.745 -1.626 46 HE2 HIS 6 HE2 HIS 6 25.032 12.733 -0.997 47 H HIS 7 H HIS 7 17.719 11.918 1.574 48 HA HIS 7 HA HIS 7 15.905 14.119 1.953 49 HB2 HIS 7 2HB HIS 7 15.138 11.805 1.378 50 HB3 HIS 7 3HB HIS 7 15.726 11.225 2.929 51 HD1 HIS 7 HD1 HIS 7 12.909 13.108 1.354 52 HD2 HIS 7 HD2 HIS 7 14.051 11.826 5.130 53 HE1 HIS 7 HE1 HIS 7 10.916 13.477 2.820 54 HE2 HIS 7 HE2 HIS 7 11.637 12.730 5.100 55 H HIS 8 H HIS 8 17.383 15.418 3.225 56 HA HIS 8 HA HIS 8 16.683 15.548 5.937 57 HB2 HIS 8 2HB HIS 8 18.967 15.310 6.995 58 HB3 HIS 8 3HB HIS 8 18.264 13.805 6.426 59 HD1 HIS 8 HD1 HIS 8 20.096 12.372 5.676 60 HD2 HIS 8 HD2 HIS 8 20.740 16.312 4.528 61 HE1 HIS 8 HE1 HIS 8 22.274 12.364 4.441 62 HE2 HIS 8 HE2 HIS 8 22.760 14.788 4.020 63 H SER 9 H SER 9 17.953 17.307 7.064 64 HA SER 9 HA SER 9 17.291 19.642 5.799 65 HB2 SER 9 2HB SER 9 18.573 20.730 7.730 66 HB3 SER 9 3HB SER 9 17.355 19.535 8.184 67 HG SER 9 HG SER 9 20.117 18.929 7.871 68 H HIS 10 H HIS 10 18.252 19.785 3.756 69 HA HIS 10 HA HIS 10 20.706 21.395 3.816 70 HB2 HIS 10 2HB HIS 10 20.258 18.960 2.072 71 HB3 HIS 10 3HB HIS 10 21.045 20.347 1.328 72 HD1 HIS 10 HD1 HIS 10 23.367 21.050 2.291 73 HD2 HIS 10 HD2 HIS 10 21.887 17.486 3.810 74 HE1 HIS 10 HE1 HIS 10 25.321 19.932 3.384 75 HE2 HIS 10 HE2 HIS 10 24.443 17.684 4.092 76 H MET 11 H MET 11 19.602 23.252 3.630 77 HA MET 11 HA MET 11 18.009 24.773 3.329 78 HB2 MET 11 2HB MET 11 18.606 23.925 0.490 79 HB3 MET 11 3HB MET 11 17.737 25.400 0.903 80 HG2 MET 11 2HG MET 11 20.560 24.759 1.798 81 HG3 MET 11 3HG MET 11 20.142 25.769 0.427 82 HE1 MET 11 3HE MET 11 22.040 26.759 2.855 83 HE2 MET 11 1HE MET 11 21.415 28.391 3.075 84 HE3 MET 11 2HE MET 11 21.642 27.751 1.448 85 H ASN 12 H ASN 12 17.055 22.615 0.733 86 HA ASN 12 HA ASN 12 14.382 22.199 1.963 87 HB2 ASN 12 2HB ASN 12 15.243 22.156 -0.973 88 HB3 ASN 12 3HB ASN 12 13.679 21.557 -0.417 89 HD21 ASN 12 1HD2 ASN 12 15.711 24.417 -0.682 90 HD22 ASN 12 2HD2 ASN 12 14.427 25.569 -0.564 91 HA PRO 13 HA PRO 13 16.501 18.179 2.812 92 HB2 PRO 13 2HB PRO 13 14.189 17.145 4.104 93 HB3 PRO 13 3HB PRO 13 15.538 17.983 4.890 94 HG2 PRO 13 2HG PRO 13 12.902 19.079 4.012 95 HG3 PRO 13 3HG PRO 13 13.844 19.442 5.476 96 HD2 PRO 13 2HD PRO 13 13.806 21.166 3.442 97 HD3 PRO 13 3HD PRO 13 15.320 20.864 4.329 98 H ASP 14 H ASP 14 13.198 18.539 1.582 99 HA ASP 14 HA ASP 14 13.566 17.074 -0.791 100 HB2 ASP 14 2HB ASP 14 13.612 15.088 0.702 101 HB3 ASP 14 3HB ASP 14 12.081 15.559 1.426 102 H LEU 15 H LEU 15 12.254 18.348 -1.998 103 HA LEU 15 HA LEU 15 10.133 19.946 -1.032 104 HB2 LEU 15 2HB LEU 15 10.674 19.070 -3.905 105 HB3 LEU 15 3HB LEU 15 9.564 20.345 -3.430 106 HG LEU 15 HG LEU 15 11.681 21.484 -2.364 107 HD11 LEU 15 1HD1 LEU 15 13.073 19.580 -4.253 108 HD12 LEU 15 2HD1 LEU 15 13.272 19.702 -2.503 109 HD13 LEU 15 3HD1 LEU 15 13.808 21.018 -3.539 110 HD21 LEU 15 3HD2 LEU 15 10.473 22.428 -4.269 111 HD22 LEU 15 1HD2 LEU 15 11.356 21.379 -5.381 112 HD23 LEU 15 2HD2 LEU 15 12.210 22.637 -4.479 113 H ALA 16 H ALA 16 10.265 16.750 -2.410 114 HA ALA 16 HA ALA 16 7.535 16.229 -2.821 115 HB1 ALA 16 3HB ALA 16 9.301 14.850 -3.789 116 HB2 ALA 16 1HB ALA 16 8.199 13.861 -2.837 117 HB3 ALA 16 2HB ALA 16 9.781 14.296 -2.183 118 H LEU 17 H LEU 17 9.435 16.311 0.130 119 HA LEU 17 HA LEU 17 7.534 14.786 1.665 120 HB2 LEU 17 2HB LEU 17 9.070 14.766 3.332 121 HB3 LEU 17 3HB LEU 17 10.149 15.285 2.064 122 HG LEU 17 HG LEU 17 9.517 17.735 2.958 123 HD11 LEU 17 1HD1 LEU 17 9.058 16.062 5.449 124 HD12 LEU 17 2HD1 LEU 17 7.847 17.024 4.603 125 HD13 LEU 17 3HD1 LEU 17 9.205 17.824 5.390 126 HD21 LEU 17 3HD2 LEU 17 11.494 17.689 4.408 127 HD22 LEU 17 1HD2 LEU 17 11.781 16.824 2.901 128 HD23 LEU 17 2HD2 LEU 17 11.485 15.924 4.391 129 H MET 18 H MET 18 7.818 18.082 0.644 130 HA MET 18 HA MET 18 6.351 19.305 2.809 131 HB2 MET 18 2HB MET 18 6.685 20.413 -0.017 132 HB3 MET 18 3HB MET 18 6.369 21.325 1.455 133 HG2 MET 18 2HG MET 18 8.929 19.852 0.784 134 HG3 MET 18 3HG MET 18 8.691 21.598 0.731 135 HE1 MET 18 3HE MET 18 11.096 20.077 2.309 136 HE2 MET 18 1HE MET 18 11.140 21.070 3.766 137 HE3 MET 18 2HE MET 18 10.921 21.831 2.190 138 H VAL 19 H VAL 19 5.553 18.094 -0.407 139 HA VAL 19 HA VAL 19 2.759 18.840 -0.333 140 HB VAL 19 HB VAL 19 4.018 18.756 -2.463 141 HG11 VAL 19 1HG1 VAL 19 5.500 16.872 -2.017 142 HG12 VAL 19 2HG1 VAL 19 4.613 16.609 -3.518 143 HG13 VAL 19 3HG1 VAL 19 4.133 15.753 -2.050 144 HG21 VAL 19 3HG2 VAL 19 1.726 16.752 -2.441 145 HG22 VAL 19 1HG2 VAL 19 2.326 17.635 -3.849 146 HG23 VAL 19 2HG2 VAL 19 1.554 18.505 -2.524 147 H LYS 20 H LYS 20 4.609 15.868 0.404 148 HA LYS 20 HA LYS 20 2.327 14.142 0.422 149 HB2 LYS 20 2HB LYS 20 3.716 12.414 1.225 150 HB3 LYS 20 3HB LYS 20 4.745 13.382 0.187 151 HG2 LYS 20 2HG LYS 20 5.760 14.424 2.203 152 HG3 LYS 20 3HG LYS 20 4.737 13.415 3.225 153 HD2 LYS 20 2HD LYS 20 7.008 12.458 3.031 154 HD3 LYS 20 3HD LYS 20 5.807 11.375 2.320 155 HE2 LYS 20 2HE LYS 20 6.401 12.245 0.072 156 HE3 LYS 20 3HE LYS 20 7.630 13.272 0.811 157 HZ1 LYS 20 3HZ LYS 20 7.604 10.325 0.998 158 HZ2 LYS 20 1HZ LYS 20 8.821 11.376 1.503 159 HZ3 LYS 20 2HZ LYS 20 8.487 11.209 -0.136 160 H ASN 21 H ASN 21 3.598 16.391 2.697 161 HA ASN 21 HA ASN 21 2.379 15.425 5.083 162 HB2 ASN 21 2HB ASN 21 3.245 18.243 4.301 163 HB3 ASN 21 3HB ASN 21 2.703 17.793 5.915 164 HD21 ASN 21 1HD2 ASN 21 5.264 18.868 5.123 165 HD22 ASN 21 2HD2 ASN 21 6.453 17.708 5.595 166 H LYS 22 H LYS 22 1.314 17.909 2.688 167 HA LYS 22 HA LYS 22 -1.173 18.389 4.006 168 HB2 LYS 22 2HB LYS 22 -1.843 19.627 1.909 169 HB3 LYS 22 3HB LYS 22 -0.368 20.186 2.667 170 HG2 LYS 22 2HG LYS 22 0.094 20.288 0.370 171 HG3 LYS 22 3HG LYS 22 0.891 18.811 0.904 172 HD2 LYS 22 2HD LYS 22 -0.185 18.388 -1.226 173 HD3 LYS 22 3HD LYS 22 -1.050 17.493 0.020 174 HE2 LYS 22 2HE LYS 22 -2.691 18.456 -1.426 175 HE3 LYS 22 3HE LYS 22 -2.731 19.395 0.067 176 HZ1 LYS 22 3HZ LYS 22 -1.303 21.047 -1.049 177 HZ2 LYS 22 1HZ LYS 22 -2.798 20.857 -1.811 178 HZ3 LYS 22 2HZ LYS 22 -1.412 20.161 -2.479 179 H GLY 23 H GLY 23 -0.185 16.140 1.460 180 HA2 GLY 23 2HA GLY 23 -2.756 15.136 0.761 181 HA3 GLY 23 3HA GLY 23 -1.229 14.287 0.573 182 H ASN 24 H ASN 24 -0.351 14.098 3.125 183 HA ASN 24 HA ASN 24 -1.611 11.859 4.209 184 HB2 ASN 24 2HB ASN 24 0.734 12.260 4.624 185 HB3 ASN 24 3HB ASN 24 0.401 13.798 5.408 186 HD21 ASN 24 1HD2 ASN 24 -0.036 13.800 7.596 187 HD22 ASN 24 2HD2 ASN 24 -0.057 12.374 8.573 188 H GLU 25 H GLU 25 -1.838 15.289 5.149 189 HA GLU 25 HA GLU 25 -3.552 14.725 7.373 190 HB2 GLU 25 2HB GLU 25 -3.703 17.034 7.782 191 HB3 GLU 25 3HB GLU 25 -2.070 16.788 7.181 192 HG2 GLU 25 2HG GLU 25 -2.787 17.638 4.966 193 HG3 GLU 25 3HG GLU 25 -4.401 17.895 5.601 194 H CYS 26 H CYS 26 -4.109 15.688 3.962 195 HA CYS 26 HA CYS 26 -6.820 16.274 4.061 196 HB2 CYS 26 2HB CYS 26 -5.227 14.939 1.864 197 HB3 CYS 26 3HB CYS 26 -6.912 15.421 1.663 198 HG CYS 26 HG CYS 26 -4.881 17.836 2.811 199 H PHE 27 H PHE 27 -5.303 13.085 3.787 200 HA PHE 27 HA PHE 27 -7.607 11.489 3.622 201 HB2 PHE 27 2HB PHE 27 -5.148 10.837 3.236 202 HB3 PHE 27 3HB PHE 27 -5.002 10.693 4.982 203 HD1 PHE 27 HD2 PHE 27 -7.800 9.572 2.717 204 HD2 PHE 27 HD1 PHE 27 -4.641 8.394 5.328 205 HE1 PHE 27 HE2 PHE 27 -8.516 7.229 2.525 206 HE2 PHE 27 HE1 PHE 27 -5.353 6.046 5.134 207 HZ PHE 27 HZ PHE 27 -7.292 5.459 3.730 208 H GLN 28 H GLN 28 -5.817 12.723 6.450 209 HA GLN 28 HA GLN 28 -7.425 11.409 8.432 210 HB2 GLN 28 2HB GLN 28 -5.947 12.239 9.988 211 HB3 GLN 28 3HB GLN 28 -4.959 12.419 8.562 212 HG2 GLN 28 2HG GLN 28 -4.556 14.423 9.620 213 HG3 GLN 28 3HG GLN 28 -5.874 14.882 8.558 214 HE21 GLN 28 1HE2 GLN 28 -6.314 13.046 11.536 215 HE22 GLN 28 2HE2 GLN 28 -7.145 14.287 12.390 216 H LYS 29 H LYS 29 -8.062 14.122 6.438 217 HA LYS 29 HA LYS 29 -9.837 15.458 8.353 218 HB2 LYS 29 2HB LYS 29 -9.730 15.975 5.350 219 HB3 LYS 29 3HB LYS 29 -10.288 17.058 6.619 220 HG2 LYS 29 2HG LYS 29 -7.440 16.217 6.084 221 HG3 LYS 29 3HG LYS 29 -8.141 17.785 5.699 222 HD2 LYS 29 2HD LYS 29 -8.067 16.782 8.557 223 HD3 LYS 29 3HD LYS 29 -6.634 17.506 7.833 224 HE2 LYS 29 2HE LYS 29 -7.847 19.577 7.399 225 HE3 LYS 29 3HE LYS 29 -9.345 18.871 8.023 226 HZ1 LYS 29 3HZ LYS 29 -8.293 20.256 9.686 227 HZ2 LYS 29 1HZ LYS 29 -6.859 19.368 9.577 228 HZ3 LYS 29 2HZ LYS 29 -8.259 18.645 10.193 229 H GLY 30 H GLY 30 -9.980 12.675 6.461 230 HA2 GLY 30 2HA GLY 30 -11.892 11.225 6.738 231 HA3 GLY 30 3HA GLY 30 -12.954 12.620 6.593 232 H ASP 31 H ASP 31 -10.740 13.287 4.351 233 HA ASP 31 HA ASP 31 -12.310 12.476 2.107 234 HB2 ASP 31 2HB ASP 31 -9.461 13.588 2.195 235 HB3 ASP 31 3HB ASP 31 -10.466 13.468 0.755 236 H TYR 32 H TYR 32 -12.031 10.707 0.749 237 HA TYR 32 HA TYR 32 -9.618 9.006 1.094 238 HB2 TYR 32 2HB TYR 32 -12.491 8.128 0.580 239 HB3 TYR 32 3HB TYR 32 -11.133 7.085 0.182 240 HD1 TYR 32 HD1 TYR 32 -12.197 9.188 3.143 241 HD2 TYR 32 HD2 TYR 32 -10.718 5.416 1.779 242 HE1 TYR 32 HE1 TYR 32 -12.171 8.370 5.449 243 HE2 TYR 32 HE2 TYR 32 -10.687 4.599 4.101 244 HH TYR 32 HH TYR 32 -12.183 6.321 6.678 245 HA PRO 33 HA PRO 33 -10.314 9.182 -3.717 246 HB2 PRO 33 2HB PRO 33 -12.541 11.146 -4.145 247 HB3 PRO 33 3HB PRO 33 -12.241 9.580 -4.934 248 HG2 PRO 33 2HG PRO 33 -14.227 9.834 -3.177 249 HG3 PRO 33 3HG PRO 33 -13.240 8.353 -3.228 250 HD2 PRO 33 2HD PRO 33 -13.034 10.683 -1.315 251 HD3 PRO 33 3HD PRO 33 -13.027 8.937 -0.975 252 H GLN 34 H GLN 34 -11.460 12.281 -2.247 253 HA GLN 34 HA GLN 34 -9.848 14.028 -3.743 254 HB2 GLN 34 2HB GLN 34 -10.826 14.408 -0.882 255 HB3 GLN 34 3HB GLN 34 -10.166 15.683 -1.900 256 HG2 GLN 34 2HG GLN 34 -12.749 14.166 -2.332 257 HG3 GLN 34 3HG GLN 34 -12.575 15.849 -1.846 258 HE21 GLN 34 1HE2 GLN 34 -12.430 13.596 -4.481 259 HE22 GLN 34 2HE2 GLN 34 -12.377 14.764 -5.748 260 H ALA 35 H ALA 35 -9.216 12.410 -0.634 261 HA ALA 35 HA ALA 35 -6.664 13.376 -0.049 262 HB1 ALA 35 3HB ALA 35 -7.754 10.595 0.480 263 HB2 ALA 35 1HB ALA 35 -7.964 12.005 1.514 264 HB3 ALA 35 2HB ALA 35 -6.352 11.321 1.278 265 H MET 36 H MET 36 -7.704 10.837 -2.300 266 HA MET 36 HA MET 36 -5.132 9.634 -2.733 267 HB2 MET 36 2HB MET 36 -7.211 8.382 -3.127 268 HB3 MET 36 3HB MET 36 -7.739 9.557 -4.317 269 HG2 MET 36 2HG MET 36 -5.821 8.859 -5.770 270 HG3 MET 36 3HG MET 36 -5.460 7.589 -4.596 271 HE1 MET 36 3HE MET 36 -8.107 8.968 -7.198 272 HE2 MET 36 1HE MET 36 -9.068 8.898 -5.718 273 HE3 MET 36 2HE MET 36 -9.399 7.780 -7.041 274 H LYS 37 H LYS 37 -6.981 12.248 -4.179 275 HA LYS 37 HA LYS 37 -5.266 12.710 -6.456 276 HB2 LYS 37 2HB LYS 37 -7.340 14.559 -5.185 277 HB3 LYS 37 3HB LYS 37 -6.625 14.741 -6.790 278 HG2 LYS 37 2HG LYS 37 -7.655 12.591 -7.476 279 HG3 LYS 37 3HG LYS 37 -8.397 12.458 -5.876 280 HD2 LYS 37 2HD LYS 37 -9.672 14.548 -6.299 281 HD3 LYS 37 3HD LYS 37 -8.918 14.681 -7.893 282 HE2 LYS 37 2HE LYS 37 -9.937 12.436 -8.465 283 HE3 LYS 37 3HE LYS 37 -10.828 12.523 -6.943 284 HZ1 LYS 37 3HZ LYS 37 -11.007 14.480 -9.173 285 HZ2 LYS 37 1HZ LYS 37 -11.873 14.565 -7.721 286 HZ3 LYS 37 2HZ LYS 37 -12.153 13.297 -8.801 287 H HIS 38 H HIS 38 -5.582 14.005 -3.195 288 HA HIS 38 HA HIS 38 -3.518 15.985 -3.406 289 HB2 HIS 38 2HB HIS 38 -4.785 14.663 -0.974 290 HB3 HIS 38 3HB HIS 38 -3.587 15.951 -0.865 291 HD1 HIS 38 HD1 HIS 38 -4.436 18.129 -2.543 292 HD2 HIS 38 HD2 HIS 38 -7.291 15.740 -0.713 293 HE1 HIS 38 HE1 HIS 38 -6.518 19.516 -2.466 294 HE2 HIS 38 HE2 HIS 38 -8.216 18.074 -1.308 295 H TYR 39 H TYR 39 -3.524 12.544 -2.872 296 HA TYR 39 HA TYR 39 -0.674 12.410 -2.307 297 HB2 TYR 39 2HB TYR 39 -2.743 10.260 -2.920 298 HB3 TYR 39 3HB TYR 39 -1.029 9.898 -2.722 299 HD1 TYR 39 HD2 TYR 39 -0.058 11.280 -0.464 300 HD2 TYR 39 HD1 TYR 39 -3.986 9.661 -0.998 301 HE1 TYR 39 HE2 TYR 39 -0.326 11.087 1.969 302 HE2 TYR 39 HE1 TYR 39 -4.244 9.485 1.441 303 HH TYR 39 HH TYR 39 -2.789 9.280 3.431 304 H THR 40 H THR 40 -2.762 12.304 -5.164 305 HA THR 40 HA THR 40 -0.863 11.176 -6.973 306 HB THR 40 HB THR 40 -3.327 12.897 -7.524 307 HG1 THR 40 HG1 THR 40 -3.319 10.574 -6.594 308 HG21 THR 40 3HG2 THR 40 -1.700 11.253 -9.515 309 HG22 THR 40 1HG2 THR 40 -1.814 13.015 -9.485 310 HG23 THR 40 2HG2 THR 40 -3.239 12.046 -9.850 311 H GLU 41 H GLU 41 -1.673 14.547 -6.090 312 HA GLU 41 HA GLU 41 0.241 15.788 -7.811 313 HB2 GLU 41 2HB GLU 41 -0.120 17.823 -6.496 314 HB3 GLU 41 3HB GLU 41 -1.660 17.043 -6.839 315 HG2 GLU 41 2HG GLU 41 -1.684 16.105 -4.544 316 HG3 GLU 41 3HG GLU 41 -0.161 16.924 -4.207 317 H ALA 42 H ALA 42 0.431 14.313 -4.617 318 HA ALA 42 HA ALA 42 3.075 15.145 -3.966 319 HB1 ALA 42 3HB ALA 42 1.539 14.273 -2.253 320 HB2 ALA 42 1HB ALA 42 3.048 13.359 -2.285 321 HB3 ALA 42 2HB ALA 42 1.586 12.677 -3.006 322 H ILE 43 H ILE 43 1.738 12.362 -5.730 323 HA ILE 43 HA ILE 43 4.058 10.831 -6.127 324 HB ILE 43 HB ILE 43 1.325 10.933 -7.346 325 HG12 ILE 43 2HG1 ILE 43 1.457 8.440 -7.102 326 HG13 ILE 43 3HG1 ILE 43 3.132 8.592 -6.592 327 HG21 ILE 43 1HG2 ILE 43 3.523 9.661 -9.012 328 HG22 ILE 43 2HG2 ILE 43 2.532 11.048 -9.467 329 HG23 ILE 43 3HG2 ILE 43 1.787 9.462 -9.276 330 HD11 ILE 43 3HD1 ILE 43 1.666 8.205 -4.727 331 HD12 ILE 43 1HD1 ILE 43 0.717 9.633 -5.134 332 HD13 ILE 43 2HD1 ILE 43 2.391 9.808 -4.601 333 H LYS 44 H LYS 44 2.852 13.665 -7.846 334 HA LYS 44 HA LYS 44 4.533 13.652 -10.103 335 HB2 LYS 44 2HB LYS 44 3.445 16.051 -8.575 336 HB3 LYS 44 3HB LYS 44 4.110 16.109 -10.205 337 HG2 LYS 44 2HG LYS 44 1.603 14.622 -9.353 338 HG3 LYS 44 3HG LYS 44 1.660 16.148 -10.241 339 HD2 LYS 44 2HD LYS 44 2.871 14.940 -12.103 340 HD3 LYS 44 3HD LYS 44 2.619 13.429 -11.221 341 HE2 LYS 44 2HE LYS 44 0.933 13.729 -12.997 342 HE3 LYS 44 3HE LYS 44 0.172 13.730 -11.402 343 HZ1 LYS 44 3HZ LYS 44 -0.015 16.089 -11.473 344 HZ2 LYS 44 1HZ LYS 44 -0.638 15.484 -12.919 345 HZ3 LYS 44 2HZ LYS 44 0.893 16.198 -12.898 346 H ARG 45 H ARG 45 4.999 14.982 -6.870 347 HA ARG 45 HA ARG 45 7.621 16.076 -7.327 348 HB2 ARG 45 2HB ARG 45 5.888 15.624 -4.875 349 HB3 ARG 45 3HB ARG 45 7.530 16.233 -4.728 350 HG2 ARG 45 2HG ARG 45 5.430 17.606 -6.426 351 HG3 ARG 45 3HG ARG 45 5.690 17.970 -4.720 352 HD2 ARG 45 2HD ARG 45 8.030 18.593 -5.198 353 HD3 ARG 45 3HD ARG 45 7.784 18.210 -6.905 354 HE ARG 45 HE ARG 45 5.864 20.096 -6.223 355 HH11 ARG 45 1HH1 ARG 45 9.389 19.950 -6.429 356 HH12 ARG 45 2HH1 ARG 45 9.546 21.641 -6.779 357 HH21 ARG 45 1HH2 ARG 45 6.105 22.312 -6.654 358 HH22 ARG 45 2HH2 ARG 45 7.688 22.979 -6.907 359 H ASN 46 H ASN 46 6.327 13.077 -5.957 360 HA ASN 46 HA ASN 46 9.073 11.981 -5.821 361 HB2 ASN 46 2HB ASN 46 8.249 10.489 -3.913 362 HB3 ASN 46 3HB ASN 46 8.580 12.165 -3.558 363 HD21 ASN 46 1HD2 ASN 46 5.590 10.639 -4.870 364 HD22 ASN 46 2HD2 ASN 46 4.593 11.201 -3.597 365 HA PRO 47 HA PRO 47 7.068 8.919 -8.614 366 HB2 PRO 47 2HB PRO 47 9.066 8.887 -10.476 367 HB3 PRO 47 3HB PRO 47 7.780 10.111 -10.509 368 HG2 PRO 47 2HG PRO 47 10.579 10.358 -9.450 369 HG3 PRO 47 3HG PRO 47 9.657 11.488 -10.469 370 HD2 PRO 47 2HD PRO 47 9.908 11.802 -7.758 371 HD3 PRO 47 3HD PRO 47 8.488 12.366 -8.670 372 H LYS 48 H LYS 48 9.308 9.092 -6.317 373 HA LYS 48 HA LYS 48 10.649 6.514 -6.789 374 HB2 LYS 48 2HB LYS 48 12.502 7.600 -5.323 375 HB3 LYS 48 3HB LYS 48 12.352 8.100 -6.999 376 HG2 LYS 48 2HG LYS 48 12.691 10.121 -5.883 377 HG3 LYS 48 3HG LYS 48 10.948 10.088 -6.108 378 HD2 LYS 48 2HD LYS 48 10.592 9.504 -3.787 379 HD3 LYS 48 3HD LYS 48 12.318 9.244 -3.530 380 HE2 LYS 48 2HE LYS 48 12.741 11.662 -3.934 381 HE3 LYS 48 3HE LYS 48 11.014 11.925 -4.189 382 HZ1 LYS 48 3HZ LYS 48 10.609 11.278 -1.908 383 HZ2 LYS 48 1HZ LYS 48 11.712 12.555 -1.956 384 HZ3 LYS 48 2HZ LYS 48 12.247 10.974 -1.657 385 H ASP 49 H ASP 49 8.271 7.871 -4.986 386 HA ASP 49 HA ASP 49 8.949 6.337 -2.532 387 HB2 ASP 49 2HB ASP 49 7.426 8.940 -2.885 388 HB3 ASP 49 3HB ASP 49 7.181 7.947 -1.454 389 H ALA 50 H ALA 50 8.132 4.445 -3.506 390 HA ALA 50 HA ALA 50 5.557 3.953 -4.407 391 HB1 ALA 50 3HB ALA 50 5.968 1.596 -3.886 392 HB2 ALA 50 1HB ALA 50 7.351 2.046 -2.879 393 HB3 ALA 50 2HB ALA 50 7.390 2.338 -4.617 394 H LYS 51 H LYS 51 6.590 4.456 -1.088 395 HA LYS 51 HA LYS 51 4.296 3.348 0.185 396 HB2 LYS 51 2HB LYS 51 4.999 4.426 2.215 397 HB3 LYS 51 3HB LYS 51 6.432 3.832 1.400 398 HG2 LYS 51 2HG LYS 51 5.561 6.726 1.204 399 HG3 LYS 51 3HG LYS 51 6.557 6.138 2.530 400 HD2 LYS 51 2HD LYS 51 7.313 5.968 -0.412 401 HD3 LYS 51 3HD LYS 51 7.864 7.220 0.700 402 HE2 LYS 51 2HE LYS 51 8.938 5.423 2.089 403 HE3 LYS 51 3HE LYS 51 8.486 4.254 0.846 404 HZ1 LYS 51 3HZ LYS 51 9.893 5.337 -0.723 405 HZ2 LYS 51 1HZ LYS 51 10.807 5.123 0.679 406 HZ3 LYS 51 2HZ LYS 51 10.175 6.646 0.304 407 H LEU 52 H LEU 52 4.843 6.395 -1.443 408 HA LEU 52 HA LEU 52 2.407 7.693 -0.565 409 HB2 LEU 52 2HB LEU 52 4.589 8.319 -2.537 410 HB3 LEU 52 3HB LEU 52 3.036 9.066 -2.843 411 HG LEU 52 HG LEU 52 4.517 10.585 -1.613 412 HD11 LEU 52 1HD1 LEU 52 2.181 9.677 0.102 413 HD12 LEU 52 2HD1 LEU 52 2.088 10.773 -1.278 414 HD13 LEU 52 3HD1 LEU 52 2.976 11.247 0.160 415 HD21 LEU 52 3HD2 LEU 52 5.199 10.146 0.717 416 HD22 LEU 52 1HD2 LEU 52 5.898 8.968 -0.391 417 HD23 LEU 52 2HD2 LEU 52 4.524 8.518 0.620 418 H TYR 53 H TYR 53 3.444 5.879 -3.424 419 HA TYR 53 HA TYR 53 1.027 5.883 -4.887 420 HB2 TYR 53 2HB TYR 53 3.299 3.859 -4.748 421 HB3 TYR 53 3HB TYR 53 1.954 3.705 -5.872 422 HD1 TYR 53 HD2 TYR 53 4.931 5.765 -5.020 423 HD2 TYR 53 HD1 TYR 53 1.865 5.035 -7.885 424 HE1 TYR 53 HE2 TYR 53 6.143 7.146 -6.652 425 HE2 TYR 53 HE1 TYR 53 3.068 6.408 -9.508 426 HH TYR 53 HH TYR 53 6.257 7.302 -9.188 427 H SER 54 H SER 54 2.150 3.969 -2.188 428 HA SER 54 HA SER 54 0.119 1.975 -2.139 429 HB2 SER 54 2HB SER 54 2.205 1.538 -1.024 430 HB3 SER 54 3HB SER 54 2.064 2.992 -0.037 431 HG SER 54 HG SER 54 1.370 1.450 1.283 432 H ASN 55 H ASN 55 0.282 5.261 -0.938 433 HA ASN 55 HA ASN 55 -1.945 5.099 0.861 434 HB2 ASN 55 2HB ASN 55 -0.728 7.487 -0.585 435 HB3 ASN 55 3HB ASN 55 -1.940 7.604 0.688 436 HD21 ASN 55 1HD2 ASN 55 0.779 8.643 0.562 437 HD22 ASN 55 2HD2 ASN 55 1.593 8.025 1.953 438 H ARG 56 H ARG 56 -1.532 5.873 -2.561 439 HA ARG 56 HA ARG 56 -4.260 6.336 -3.235 440 HB2 ARG 56 2HB ARG 56 -1.880 5.352 -4.858 441 HB3 ARG 56 3HB ARG 56 -3.469 5.577 -5.576 442 HG2 ARG 56 2HG ARG 56 -3.398 7.965 -5.136 443 HG3 ARG 56 3HG ARG 56 -1.881 7.798 -4.243 444 HD2 ARG 56 2HD ARG 56 -1.736 8.618 -6.693 445 HD3 ARG 56 3HD ARG 56 -0.635 7.332 -6.200 446 HE ARG 56 HE ARG 56 -3.088 6.944 -7.837 447 HH11 ARG 56 1HH1 ARG 56 0.116 5.890 -6.871 448 HH12 ARG 56 2HH1 ARG 56 0.189 4.601 -8.026 449 HH21 ARG 56 1HH2 ARG 56 -3.014 5.183 -9.322 450 HH22 ARG 56 2HH2 ARG 56 -1.577 4.203 -9.412 451 H ALA 57 H ALA 57 -2.211 3.412 -3.198 452 HA ALA 57 HA ALA 57 -4.099 1.557 -4.203 453 HB1 ALA 57 3HB ALA 57 -1.670 1.147 -4.205 454 HB2 ALA 57 1HB ALA 57 -2.534 -0.165 -3.401 455 HB3 ALA 57 2HB ALA 57 -1.674 1.045 -2.443 456 H ALA 58 H ALA 58 -3.385 2.687 -0.968 457 HA ALA 58 HA ALA 58 -4.917 0.796 0.515 458 HB1 ALA 58 3HB ALA 58 -4.654 2.371 2.399 459 HB2 ALA 58 1HB ALA 58 -4.040 3.606 1.287 460 HB3 ALA 58 2HB ALA 58 -3.121 2.125 1.559 461 H CYS 59 H CYS 59 -5.611 3.916 -1.030 462 HA CYS 59 HA CYS 59 -8.311 4.129 -0.054 463 HB2 CYS 59 2HB CYS 59 -7.073 6.124 -0.806 464 HB3 CYS 59 3HB CYS 59 -6.974 5.481 -2.442 465 HG CYS 59 HG CYS 59 -8.839 7.468 -2.556 466 H TYR 60 H TYR 60 -6.778 2.878 -3.022 467 HA TYR 60 HA TYR 60 -8.973 2.558 -4.694 468 HB2 TYR 60 2HB TYR 60 -6.350 1.030 -4.556 469 HB3 TYR 60 3HB TYR 60 -7.552 0.661 -5.785 470 HD1 TYR 60 HD1 TYR 60 -8.486 3.510 -6.384 471 HD2 TYR 60 HD2 TYR 60 -4.570 1.850 -5.949 472 HE1 TYR 60 HE1 TYR 60 -7.576 5.257 -7.848 473 HE2 TYR 60 HE2 TYR 60 -3.663 3.608 -7.409 474 HH TYR 60 HH TYR 60 -5.570 6.347 -8.378 475 H THR 61 H THR 61 -7.748 0.339 -2.231 476 HA THR 61 HA THR 61 -9.363 -1.889 -2.738 477 HB THR 61 HB THR 61 -9.033 -2.430 -0.288 478 HG1 THR 61 HG1 THR 61 -7.452 -0.071 -0.173 479 HG21 THR 61 3HG2 THR 61 -6.570 -2.635 -0.389 480 HG22 THR 61 1HG2 THR 61 -6.530 -1.534 -1.767 481 HG23 THR 61 2HG2 THR 61 -7.317 -3.109 -1.915 482 H LYS 62 H LYS 62 -10.073 1.050 -0.788 483 HA LYS 62 HA LYS 62 -12.634 0.193 0.202 484 HB2 LYS 62 2HB LYS 62 -11.400 2.972 -0.081 485 HB3 LYS 62 3HB LYS 62 -13.028 2.742 0.541 486 HG2 LYS 62 2HG LYS 62 -11.599 3.030 2.425 487 HG3 LYS 62 3HG LYS 62 -12.042 1.322 2.385 488 HD2 LYS 62 2HD LYS 62 -9.856 0.788 1.354 489 HD3 LYS 62 3HD LYS 62 -9.425 2.501 1.391 490 HE2 LYS 62 2HE LYS 62 -8.362 1.317 3.238 491 HE3 LYS 62 3HE LYS 62 -9.546 2.464 3.865 492 HZ1 LYS 62 3HZ LYS 62 -9.657 0.345 4.997 493 HZ2 LYS 62 1HZ LYS 62 -9.967 -0.456 3.547 494 HZ3 LYS 62 2HZ LYS 62 -11.095 0.636 4.164 495 H LEU 63 H LEU 63 -11.511 1.853 -2.662 496 HA LEU 63 HA LEU 63 -14.127 2.547 -3.701 497 HB2 LEU 63 2HB LEU 63 -11.434 2.613 -5.135 498 HB3 LEU 63 3HB LEU 63 -12.889 3.496 -5.571 499 HG LEU 63 HG LEU 63 -11.153 4.006 -3.123 500 HD11 LEU 63 1HD1 LEU 63 -10.091 4.743 -5.188 501 HD12 LEU 63 2HD1 LEU 63 -10.569 6.124 -4.206 502 HD13 LEU 63 3HD1 LEU 63 -11.524 5.680 -5.623 503 HD21 LEU 63 3HD2 LEU 63 -13.667 5.479 -3.987 504 HD22 LEU 63 1HD2 LEU 63 -12.571 5.987 -2.697 505 HD23 LEU 63 2HD2 LEU 63 -13.471 4.481 -2.543 506 H LEU 64 H LEU 64 -12.688 -0.396 -3.396 507 HA LEU 64 HA LEU 64 -12.937 -2.427 -4.292 508 HB2 LEU 64 2HB LEU 64 -15.106 -1.085 -5.928 509 HB3 LEU 64 3HB LEU 64 -14.697 -2.769 -6.188 510 HG LEU 64 HG LEU 64 -16.650 -2.691 -4.783 511 HD11 LEU 64 1HD1 LEU 64 -15.943 -3.965 -2.829 512 HD12 LEU 64 2HD1 LEU 64 -14.278 -3.423 -3.042 513 HD13 LEU 64 3HD1 LEU 64 -15.032 -4.458 -4.256 514 HD21 LEU 64 3HD2 LEU 64 -16.766 -1.574 -2.606 515 HD22 LEU 64 1HD2 LEU 64 -16.443 -0.410 -3.890 516 HD23 LEU 64 2HD2 LEU 64 -15.136 -0.931 -2.826 517 H GLU 65 H GLU 65 -11.390 -0.072 -5.735 518 HA GLU 65 HA GLU 65 -10.686 -1.239 -8.291 519 HB2 GLU 65 2HB GLU 65 -9.575 1.155 -6.755 520 HB3 GLU 65 3HB GLU 65 -9.164 0.741 -8.413 521 HG2 GLU 65 2HG GLU 65 -11.886 1.600 -7.396 522 HG3 GLU 65 3HG GLU 65 -10.769 2.575 -8.352 523 H PHE 66 H PHE 66 -10.179 -3.022 -6.164 524 HA PHE 66 HA PHE 66 -7.637 -3.165 -5.077 525 HB2 PHE 66 2HB PHE 66 -9.438 -5.404 -6.088 526 HB3 PHE 66 3HB PHE 66 -7.968 -5.698 -5.174 527 HD1 PHE 66 HD2 PHE 66 -11.445 -4.412 -4.967 528 HD2 PHE 66 HD1 PHE 66 -7.897 -5.351 -2.779 529 HE1 PHE 66 HE2 PHE 66 -12.707 -4.312 -2.855 530 HE2 PHE 66 HE1 PHE 66 -9.167 -5.255 -0.677 531 HZ PHE 66 HZ PHE 66 -11.569 -4.732 -0.711 532 H GLN 67 H GLN 67 -8.730 -3.928 -8.348 533 HA GLN 67 HA GLN 67 -6.527 -5.215 -9.457 534 HB2 GLN 67 2HB GLN 67 -8.398 -3.200 -10.774 535 HB3 GLN 67 3HB GLN 67 -7.282 -4.238 -11.651 536 HG2 GLN 67 2HG GLN 67 -9.595 -5.193 -9.950 537 HG3 GLN 67 3HG GLN 67 -9.593 -5.076 -11.710 538 HE21 GLN 67 1HE2 GLN 67 -9.992 -7.417 -10.009 539 HE22 GLN 67 2HE2 GLN 67 -8.780 -8.562 -10.464 540 H LEU 68 H LEU 68 -7.140 -1.724 -9.024 541 HA LEU 68 HA LEU 68 -4.793 -0.851 -10.444 542 HB2 LEU 68 2HB LEU 68 -6.452 0.730 -8.434 543 HB3 LEU 68 3HB LEU 68 -5.339 1.389 -9.624 544 HG LEU 68 HG LEU 68 -8.047 0.107 -10.139 545 HD11 LEU 68 1HD1 LEU 68 -8.641 2.298 -11.074 546 HD12 LEU 68 2HD1 LEU 68 -7.033 2.914 -10.680 547 HD13 LEU 68 3HD1 LEU 68 -8.134 2.427 -9.390 548 HD21 LEU 68 3HD2 LEU 68 -6.591 -0.696 -11.906 549 HD22 LEU 68 1HD2 LEU 68 -6.001 0.941 -12.223 550 HD23 LEU 68 2HD2 LEU 68 -7.684 0.523 -12.556 551 H ALA 69 H ALA 69 -5.685 -1.384 -7.076 552 HA ALA 69 HA ALA 69 -3.345 -0.519 -5.773 553 HB1 ALA 69 3HB ALA 69 -4.124 -1.891 -3.873 554 HB2 ALA 69 1HB ALA 69 -5.291 -2.701 -4.929 555 HB3 ALA 69 2HB ALA 69 -5.455 -0.979 -4.584 556 H LEU 70 H LEU 70 -4.125 -3.567 -7.380 557 HA LEU 70 HA LEU 70 -1.765 -4.999 -6.596 558 HB2 LEU 70 2HB LEU 70 -3.709 -5.425 -8.900 559 HB3 LEU 70 3HB LEU 70 -2.420 -6.548 -8.495 560 HG LEU 70 HG LEU 70 -4.699 -5.830 -6.613 561 HD11 LEU 70 1HD1 LEU 70 -5.592 -6.973 -8.572 562 HD12 LEU 70 2HD1 LEU 70 -5.683 -8.003 -7.147 563 HD13 LEU 70 3HD1 LEU 70 -4.431 -8.288 -8.362 564 HD21 LEU 70 3HD2 LEU 70 -3.973 -7.788 -5.323 565 HD22 LEU 70 1HD2 LEU 70 -2.698 -6.577 -5.435 566 HD23 LEU 70 2HD2 LEU 70 -2.622 -8.030 -6.434 567 H LYS 71 H LYS 71 -2.739 -3.611 -9.757 568 HA LYS 71 HA LYS 71 -0.331 -4.306 -11.059 569 HB2 LYS 71 2HB LYS 71 -1.197 -3.091 -12.997 570 HB3 LYS 71 3HB LYS 71 -2.468 -4.053 -12.256 571 HG2 LYS 71 2HG LYS 71 -3.309 -1.960 -11.129 572 HG3 LYS 71 3HG LYS 71 -2.105 -1.049 -12.043 573 HD2 LYS 71 2HD LYS 71 -4.298 -0.905 -13.134 574 HD3 LYS 71 3HD LYS 71 -3.161 -1.772 -14.167 575 HE2 LYS 71 2HE LYS 71 -4.155 -3.907 -13.527 576 HE3 LYS 71 3HE LYS 71 -5.216 -3.102 -12.367 577 HZ1 LYS 71 3HZ LYS 71 -6.396 -3.597 -14.389 578 HZ2 LYS 71 1HZ LYS 71 -5.268 -2.745 -15.313 579 HZ3 LYS 71 2HZ LYS 71 -6.253 -1.927 -14.217 580 H ASP 72 H ASP 72 -1.360 -1.273 -9.538 581 HA ASP 72 HA ASP 72 0.780 0.364 -10.466 582 HB2 ASP 72 2HB ASP 72 -1.292 1.336 -9.536 583 HB3 ASP 72 3HB ASP 72 -0.946 0.626 -7.962 584 H CYS 73 H CYS 73 0.334 -1.683 -7.580 585 HA CYS 73 HA CYS 73 2.830 -1.021 -6.342 586 HB2 CYS 73 2HB CYS 73 0.968 -1.890 -5.013 587 HB3 CYS 73 3HB CYS 73 0.988 -3.407 -5.907 588 HG CYS 73 HG CYS 73 3.982 -2.927 -4.681 589 H GLU 74 H GLU 74 1.830 -3.453 -8.720 590 HA GLU 74 HA GLU 74 4.036 -5.206 -8.604 591 HB2 GLU 74 2HB GLU 74 2.382 -4.463 -11.057 592 HB3 GLU 74 3HB GLU 74 3.495 -5.821 -10.976 593 HG2 GLU 74 2HG GLU 74 0.998 -5.531 -9.289 594 HG3 GLU 74 3HG GLU 74 1.105 -6.457 -10.779 595 H GLU 75 H GLU 75 3.584 -2.187 -10.428 596 HA GLU 75 HA GLU 75 6.258 -2.329 -11.598 597 HB2 GLU 75 2HB GLU 75 5.648 -0.138 -12.663 598 HB3 GLU 75 3HB GLU 75 4.546 -1.452 -13.052 599 HG2 GLU 75 2HG GLU 75 2.834 -0.579 -11.638 600 HG3 GLU 75 3HG GLU 75 3.941 0.548 -10.861 601 H CYS 76 H CYS 76 4.657 -0.691 -8.918 602 HA CYS 76 HA CYS 76 6.509 1.483 -8.696 603 HB2 CYS 76 2HB CYS 76 4.061 1.442 -7.896 604 HB3 CYS 76 3HB CYS 76 4.671 0.649 -6.443 605 HG CYS 76 HG CYS 76 5.148 3.806 -7.538 606 H ILE 77 H ILE 77 6.466 -1.740 -7.390 607 HA ILE 77 HA ILE 77 8.357 -1.492 -5.315 608 HB ILE 77 HB ILE 77 6.954 -3.509 -5.757 609 HG12 ILE 77 2HG1 ILE 77 9.214 -3.608 -4.391 610 HG13 ILE 77 3HG1 ILE 77 8.382 -5.095 -4.798 611 HG21 ILE 77 1HG2 ILE 77 7.120 -3.662 -8.165 612 HG22 ILE 77 2HG2 ILE 77 7.618 -5.190 -7.440 613 HG23 ILE 77 3HG2 ILE 77 8.834 -4.074 -8.068 614 HD11 ILE 77 3HD1 ILE 77 10.791 -5.296 -5.045 615 HD12 ILE 77 1HD1 ILE 77 10.801 -3.995 -6.235 616 HD13 ILE 77 2HD1 ILE 77 9.981 -5.517 -6.593 617 H GLN 78 H GLN 78 8.736 -1.318 -8.800 618 HA GLN 78 HA GLN 78 11.609 -1.722 -8.813 619 HB2 GLN 78 2HB GLN 78 9.861 -0.499 -10.995 620 HB3 GLN 78 3HB GLN 78 11.491 -1.139 -11.187 621 HG2 GLN 78 2HG GLN 78 8.997 -2.733 -10.519 622 HG3 GLN 78 3HG GLN 78 9.844 -2.717 -12.064 623 HE21 GLN 78 1HE2 GLN 78 9.219 -4.963 -10.267 624 HE22 GLN 78 2HE2 GLN 78 10.730 -5.713 -9.896 625 H LEU 79 H LEU 79 9.449 0.959 -8.337 626 HA LEU 79 HA LEU 79 11.374 3.097 -8.699 627 HB2 LEU 79 2HB LEU 79 8.679 3.090 -7.264 628 HB3 LEU 79 3HB LEU 79 9.602 4.528 -7.682 629 HG LEU 79 HG LEU 79 8.385 2.595 -9.691 630 HD11 LEU 79 1HD1 LEU 79 6.659 3.847 -8.471 631 HD12 LEU 79 2HD1 LEU 79 6.751 4.360 -10.154 632 HD13 LEU 79 3HD1 LEU 79 7.449 5.371 -8.884 633 HD21 LEU 79 3HD2 LEU 79 9.781 5.255 -10.131 634 HD22 LEU 79 1HD2 LEU 79 8.989 4.282 -11.372 635 HD23 LEU 79 2HD2 LEU 79 10.417 3.661 -10.552 636 H GLU 80 H GLU 80 9.930 1.328 -6.032 637 HA GLU 80 HA GLU 80 12.096 1.967 -4.188 638 HB2 GLU 80 2HB GLU 80 10.696 3.853 -3.693 639 HB3 GLU 80 3HB GLU 80 9.228 2.908 -3.828 640 HG2 GLU 80 2HG GLU 80 9.563 3.481 -1.525 641 HG3 GLU 80 3HG GLU 80 9.804 1.748 -1.707 642 HA PRO 81 HA PRO 81 10.613 -2.355 -3.709 643 HB2 PRO 81 2HB PRO 81 12.978 -3.505 -3.028 644 HB3 PRO 81 3HB PRO 81 12.624 -2.998 -4.694 645 HG2 PRO 81 2HG PRO 81 14.258 -1.589 -2.608 646 HG3 PRO 81 3HG PRO 81 14.608 -1.831 -4.335 647 HD2 PRO 81 2HD PRO 81 13.554 0.503 -3.306 648 HD3 PRO 81 3HD PRO 81 13.303 -0.034 -4.983 649 H THR 82 H THR 82 12.301 -0.414 -1.260 650 HA THR 82 HA THR 82 11.817 -2.445 0.829 651 HB THR 82 HB THR 82 13.343 -1.077 2.252 652 HG1 THR 82 HG1 THR 82 12.816 0.890 0.715 653 HG21 THR 82 3HG2 THR 82 14.538 -1.738 -0.474 654 HG22 THR 82 1HG2 THR 82 14.296 -2.888 0.847 655 HG23 THR 82 2HG2 THR 82 15.432 -1.554 1.035 656 H PHE 83 H PHE 83 9.788 -0.373 -0.373 657 HA PHE 83 HA PHE 83 8.925 1.185 1.868 658 HB2 PHE 83 2HB PHE 83 6.947 1.717 0.588 659 HB3 PHE 83 3HB PHE 83 8.309 1.740 -0.511 660 HD1 PHE 83 HD1 PHE 83 8.706 -0.788 -1.642 661 HD2 PHE 83 HD2 PHE 83 4.994 0.844 -0.319 662 HE1 PHE 83 HE1 PHE 83 7.505 -2.277 -3.191 663 HE2 PHE 83 HE2 PHE 83 3.793 -0.644 -1.874 664 HZ PHE 83 HZ PHE 83 5.045 -2.204 -3.310 665 H ILE 84 H ILE 84 7.957 0.439 3.635 666 HA ILE 84 HA ILE 84 7.075 -2.326 3.862 667 HB ILE 84 HB ILE 84 7.224 -0.069 5.916 668 HG12 ILE 84 2HG1 ILE 84 9.001 -2.492 5.371 669 HG13 ILE 84 3HG1 ILE 84 9.436 -0.801 5.174 670 HG21 ILE 84 1HG2 ILE 84 5.431 -1.647 6.535 671 HG22 ILE 84 2HG2 ILE 84 6.796 -1.767 7.644 672 HG23 ILE 84 3HG2 ILE 84 6.561 -2.998 6.400 673 HD11 ILE 84 3HD1 ILE 84 10.473 -1.696 7.125 674 HD12 ILE 84 1HD1 ILE 84 8.921 -2.243 7.762 675 HD13 ILE 84 2HD1 ILE 84 9.260 -0.514 7.616 676 H LYS 85 H LYS 85 5.667 0.918 4.238 677 HA LYS 85 HA LYS 85 2.946 0.096 4.403 678 HB2 LYS 85 2HB LYS 85 4.059 2.752 3.391 679 HB3 LYS 85 3HB LYS 85 2.416 2.465 3.935 680 HG2 LYS 85 2HG LYS 85 4.823 2.232 5.766 681 HG3 LYS 85 3HG LYS 85 3.959 3.740 5.504 682 HD2 LYS 85 2HD LYS 85 3.077 2.898 7.525 683 HD3 LYS 85 3HD LYS 85 1.848 2.509 6.329 684 HE2 LYS 85 2HE LYS 85 2.496 0.187 6.323 685 HE3 LYS 85 3HE LYS 85 3.945 0.526 7.270 686 HZ1 LYS 85 3HZ LYS 85 2.117 -0.429 8.584 687 HZ2 LYS 85 1HZ LYS 85 1.170 0.927 8.257 688 HZ3 LYS 85 2HZ LYS 85 2.592 1.084 9.157 689 H GLY 86 H GLY 86 2.607 -1.422 2.776 690 HA2 GLY 86 2HA GLY 86 1.475 -0.692 0.413 691 HA3 GLY 86 3HA GLY 86 3.169 -0.913 -0.004 692 H TYR 87 H TYR 87 3.895 -3.058 1.543 693 HA TYR 87 HA TYR 87 2.962 -5.255 0.045 694 HB2 TYR 87 2HB TYR 87 4.616 -5.066 2.578 695 HB3 TYR 87 3HB TYR 87 4.172 -6.628 1.902 696 HD1 TYR 87 HD1 TYR 87 5.900 -3.431 1.016 697 HD2 TYR 87 HD2 TYR 87 5.522 -7.603 0.207 698 HE1 TYR 87 HE1 TYR 87 7.852 -3.321 -0.471 699 HE2 TYR 87 HE2 TYR 87 7.474 -7.494 -1.282 700 HH TYR 87 HH TYR 87 9.557 -4.788 -1.389 701 H THR 88 H THR 88 2.113 -4.171 3.334 702 HA THR 88 HA THR 88 0.401 -6.266 4.071 703 HB THR 88 HB THR 88 0.072 -3.329 4.851 704 HG1 THR 88 HG1 THR 88 1.586 -3.770 6.470 705 HG21 THR 88 3HG2 THR 88 -0.780 -4.245 6.989 706 HG22 THR 88 1HG2 THR 88 -0.612 -5.887 6.363 707 HG23 THR 88 2HG2 THR 88 -1.779 -4.780 5.636 708 H ARG 89 H ARG 89 -0.187 -3.393 2.079 709 HA ARG 89 HA ARG 89 -3.072 -3.693 1.901 710 HB2 ARG 89 2HB ARG 89 -1.194 -1.900 0.288 711 HB3 ARG 89 3HB ARG 89 -2.949 -1.758 0.354 712 HG2 ARG 89 2HG ARG 89 -1.022 -1.305 2.651 713 HG3 ARG 89 3HG ARG 89 -1.895 -0.059 1.756 714 HD2 ARG 89 2HD ARG 89 -4.025 -0.872 2.616 715 HD3 ARG 89 3HD ARG 89 -3.228 -2.244 3.394 716 HE ARG 89 HE ARG 89 -2.207 0.279 4.301 717 HH11 ARG 89 1HH1 ARG 89 -4.829 -2.034 4.757 718 HH12 ARG 89 2HH1 ARG 89 -5.151 -1.526 6.385 719 HH21 ARG 89 1HH2 ARG 89 -2.653 0.930 6.438 720 HH22 ARG 89 2HH2 ARG 89 -3.921 0.154 7.334 721 H LYS 90 H LYS 90 -0.271 -4.471 -0.035 722 HA LYS 90 HA LYS 90 -1.524 -5.142 -2.486 723 HB2 LYS 90 2HB LYS 90 0.887 -4.573 -2.301 724 HB3 LYS 90 3HB LYS 90 1.164 -5.996 -1.304 725 HG2 LYS 90 2HG LYS 90 1.949 -6.323 -3.618 726 HG3 LYS 90 3HG LYS 90 0.666 -7.466 -3.201 727 HD2 LYS 90 2HD LYS 90 -0.972 -6.186 -4.451 728 HD3 LYS 90 3HD LYS 90 0.183 -4.877 -4.725 729 HE2 LYS 90 2HE LYS 90 -0.112 -6.278 -6.727 730 HE3 LYS 90 3HE LYS 90 1.545 -6.358 -6.130 731 HZ1 LYS 90 3HZ LYS 90 0.623 -8.515 -6.799 732 HZ2 LYS 90 1HZ LYS 90 -0.537 -8.402 -5.573 733 HZ3 LYS 90 2HZ LYS 90 1.109 -8.490 -5.182 734 H ALA 91 H ALA 91 -0.469 -6.969 0.330 735 HA ALA 91 HA ALA 91 -1.249 -9.564 -0.560 736 HB1 ALA 91 3HB ALA 91 -0.700 -8.529 2.244 737 HB2 ALA 91 1HB ALA 91 0.498 -9.185 1.130 738 HB3 ALA 91 2HB ALA 91 -0.780 -10.225 1.754 739 H ALA 92 H ALA 92 -2.809 -6.977 1.294 740 HA ALA 92 HA ALA 92 -5.152 -8.359 2.102 741 HB1 ALA 92 3HB ALA 92 -4.453 -6.217 3.088 742 HB2 ALA 92 1HB ALA 92 -6.101 -6.118 2.468 743 HB3 ALA 92 2HB ALA 92 -4.770 -5.393 1.561 744 H ALA 93 H ALA 93 -4.297 -6.574 -0.825 745 HA ALA 93 HA ALA 93 -6.840 -6.721 -2.110 746 HB1 ALA 93 3HB ALA 93 -4.083 -6.305 -3.323 747 HB2 ALA 93 1HB ALA 93 -5.157 -5.039 -2.727 748 HB3 ALA 93 2HB ALA 93 -5.626 -6.005 -4.127 749 H LEU 94 H LEU 94 -3.834 -8.657 -2.405 750 HA LEU 94 HA LEU 94 -4.682 -10.585 -4.248 751 HB2 LEU 94 2HB LEU 94 -2.687 -10.788 -1.961 752 HB3 LEU 94 3HB LEU 94 -2.920 -12.083 -3.128 753 HG LEU 94 HG LEU 94 -2.017 -9.271 -3.871 754 HD11 LEU 94 1HD1 LEU 94 -0.307 -11.754 -3.549 755 HD12 LEU 94 2HD1 LEU 94 -0.312 -10.346 -2.484 756 HD13 LEU 94 3HD1 LEU 94 0.233 -10.183 -4.152 757 HD21 LEU 94 3HD2 LEU 94 -1.418 -10.272 -6.038 758 HD22 LEU 94 1HD2 LEU 94 -3.144 -10.414 -5.710 759 HD23 LEU 94 2HD2 LEU 94 -2.093 -11.819 -5.520 760 H GLU 95 H GLU 95 -5.055 -10.457 -0.731 761 HA GLU 95 HA GLU 95 -6.220 -12.984 -0.280 762 HB2 GLU 95 2HB GLU 95 -5.288 -11.524 1.502 763 HB3 GLU 95 3HB GLU 95 -6.600 -10.375 1.258 764 HG2 GLU 95 2HG GLU 95 -8.222 -12.095 1.990 765 HG3 GLU 95 3HG GLU 95 -6.897 -13.231 2.241 766 H ALA 96 H ALA 96 -7.542 -9.936 -1.488 767 HA ALA 96 HA ALA 96 -10.340 -10.723 -1.233 768 HB1 ALA 96 3HB ALA 96 -9.698 -8.350 -1.039 769 HB2 ALA 96 1HB ALA 96 -10.798 -8.592 -2.395 770 HB3 ALA 96 2HB ALA 96 -9.071 -8.368 -2.687 771 H MET 97 H MET 97 -7.768 -11.294 -3.428 772 HA MET 97 HA MET 97 -9.536 -11.980 -5.705 773 HB2 MET 97 2HB MET 97 -6.485 -11.874 -5.512 774 HB3 MET 97 3HB MET 97 -7.410 -12.186 -6.977 775 HG2 MET 97 2HG MET 97 -7.487 -9.616 -5.397 776 HG3 MET 97 3HG MET 97 -6.542 -9.888 -6.864 777 HE1 MET 97 3HE MET 97 -7.774 -7.596 -7.685 778 HE2 MET 97 1HE MET 97 -8.781 -7.578 -6.235 779 HE3 MET 97 2HE MET 97 -9.525 -7.456 -7.831 780 H LYS 98 H LYS 98 -8.736 -13.408 -2.951 781 HA LYS 98 HA LYS 98 -8.723 -15.499 -2.117 782 HB2 LYS 98 2HB LYS 98 -9.281 -16.416 -4.969 783 HB3 LYS 98 3HB LYS 98 -9.426 -17.428 -3.538 784 HG2 LYS 98 2HG LYS 98 -11.080 -14.933 -4.051 785 HG3 LYS 98 3HG LYS 98 -11.611 -16.571 -4.420 786 HD2 LYS 98 2HD LYS 98 -10.940 -15.509 -1.646 787 HD3 LYS 98 3HD LYS 98 -12.566 -15.739 -2.291 788 HE2 LYS 98 2HE LYS 98 -10.525 -17.926 -1.774 789 HE3 LYS 98 3HE LYS 98 -11.963 -17.591 -0.811 790 HZ1 LYS 98 3HZ LYS 98 -11.946 -18.465 -3.646 791 HZ2 LYS 98 1HZ LYS 98 -13.321 -18.133 -2.727 792 HZ3 LYS 98 2HZ LYS 98 -12.326 -19.428 -2.312 793 H ASP 99 H ASP 99 -6.328 -14.235 -3.692 794 HA ASP 99 HA ASP 99 -4.619 -16.513 -4.259 795 HB2 ASP 99 2HB ASP 99 -4.193 -13.491 -4.372 796 HB3 ASP 99 3HB ASP 99 -2.891 -14.629 -4.671 797 H TYR 100 H TYR 100 -5.355 -16.764 -1.657 798 HA TYR 100 HA TYR 100 -3.918 -15.545 0.362 799 HB2 TYR 100 2HB TYR 100 -4.685 -18.496 0.270 800 HB3 TYR 100 3HB TYR 100 -4.401 -17.535 1.721 801 HD1 TYR 100 HD1 TYR 100 -5.904 -15.052 1.178 802 HD2 TYR 100 HD2 TYR 100 -6.978 -19.101 0.338 803 HE1 TYR 100 HE1 TYR 100 -8.270 -14.450 1.237 804 HE2 TYR 100 HE2 TYR 100 -9.354 -18.484 0.411 805 HH TYR 100 HH TYR 100 -10.761 -16.710 1.439 806 H THR 101 H THR 101 -2.921 -18.171 -1.751 807 HA THR 101 HA THR 101 -0.526 -18.982 -0.527 808 HB THR 101 HB THR 101 0.068 -19.840 -2.846 809 HG1 THR 101 HG1 THR 101 -2.218 -19.494 -4.098 810 HG21 THR 101 3HG2 THR 101 -2.761 -20.473 -1.908 811 HG22 THR 101 1HG2 THR 101 -1.282 -21.241 -1.319 812 HG23 THR 101 2HG2 THR 101 -1.788 -21.464 -2.996 813 H LYS 102 H LYS 102 -1.225 -16.262 -2.699 814 HA LYS 102 HA LYS 102 1.599 -15.551 -3.024 815 HB2 LYS 102 2HB LYS 102 -0.746 -13.800 -3.861 816 HB3 LYS 102 3HB LYS 102 0.867 -13.876 -4.563 817 HG2 LYS 102 2HG LYS 102 -1.310 -15.960 -4.787 818 HG3 LYS 102 3HG LYS 102 -0.784 -14.861 -6.063 819 HD2 LYS 102 2HD LYS 102 1.323 -16.000 -6.291 820 HD3 LYS 102 3HD LYS 102 1.071 -16.918 -4.801 821 HE2 LYS 102 2HE LYS 102 -0.750 -18.166 -5.819 822 HE3 LYS 102 3HE LYS 102 -0.661 -17.177 -7.274 823 HZ1 LYS 102 3HZ LYS 102 1.561 -18.038 -7.678 824 HZ2 LYS 102 1HZ LYS 102 0.445 -19.303 -7.566 825 HZ3 LYS 102 2HZ LYS 102 1.480 -18.970 -6.275 826 H ALA 103 H ALA 103 -1.292 -14.403 -1.400 827 HA ALA 103 HA ALA 103 -0.488 -11.895 -0.511 828 HB1 ALA 103 3HB ALA 103 -2.521 -13.776 0.745 829 HB2 ALA 103 1HB ALA 103 -2.835 -12.631 -0.561 830 HB3 ALA 103 2HB ALA 103 -2.394 -12.037 1.041 831 H MET 104 H MET 104 -0.395 -15.042 1.128 832 HA MET 104 HA MET 104 0.485 -14.294 3.642 833 HB2 MET 104 2HB MET 104 1.223 -16.609 3.934 834 HB3 MET 104 3HB MET 104 -0.319 -16.553 3.101 835 HG2 MET 104 2HG MET 104 0.792 -17.032 0.969 836 HG3 MET 104 3HG MET 104 2.364 -17.015 1.771 837 HE1 MET 104 3HE MET 104 -0.909 -18.504 3.396 838 HE2 MET 104 1HE MET 104 -0.875 -20.148 2.762 839 HE3 MET 104 2HE MET 104 -1.154 -18.791 1.671 840 H ASP 105 H ASP 105 2.416 -14.901 0.725 841 HA ASP 105 HA ASP 105 4.977 -14.713 1.990 842 HB2 ASP 105 2HB ASP 105 4.136 -14.525 -0.931 843 HB3 ASP 105 3HB ASP 105 5.815 -14.367 -0.423 844 H VAL 106 H VAL 106 2.718 -12.376 0.635 845 HA VAL 106 HA VAL 106 4.716 -10.265 0.367 846 HB VAL 106 HB VAL 106 1.668 -10.090 0.085 847 HG11 VAL 106 1HG1 VAL 106 2.717 -7.883 0.441 848 HG12 VAL 106 2HG1 VAL 106 2.096 -8.031 -1.201 849 HG13 VAL 106 3HG1 VAL 106 3.828 -8.182 -0.898 850 HG21 VAL 106 3HG2 VAL 106 2.610 -11.710 -1.512 851 HG22 VAL 106 1HG2 VAL 106 3.773 -10.509 -2.075 852 HG23 VAL 106 2HG2 VAL 106 2.047 -10.266 -2.353 853 H TYR 107 H TYR 107 2.098 -11.143 2.623 854 HA TYR 107 HA TYR 107 2.375 -9.112 4.550 855 HB2 TYR 107 2HB TYR 107 1.639 -12.060 4.838 856 HB3 TYR 107 3HB TYR 107 1.647 -10.967 6.214 857 HD1 TYR 107 HD1 TYR 107 0.273 -8.603 5.542 858 HD2 TYR 107 HD2 TYR 107 -0.544 -12.540 4.083 859 HE1 TYR 107 HE1 TYR 107 -2.071 -7.976 5.153 860 HE2 TYR 107 HE2 TYR 107 -2.887 -11.903 3.685 861 HH TYR 107 HH TYR 107 -3.952 -8.711 3.693 862 H GLN 108 H GLN 108 4.078 -12.179 4.082 863 HA GLN 108 HA GLN 108 5.784 -12.079 6.336 864 HB2 GLN 108 2HB GLN 108 5.168 -14.116 4.889 865 HB3 GLN 108 3HB GLN 108 6.345 -13.551 3.720 866 HG2 GLN 108 2HG GLN 108 7.213 -14.043 6.565 867 HG3 GLN 108 3HG GLN 108 6.966 -15.413 5.491 868 HE21 GLN 108 1HE2 GLN 108 8.931 -12.599 6.118 869 HE22 GLN 108 2HE2 GLN 108 10.253 -13.049 5.100 870 H LYS 109 H LYS 109 6.123 -10.911 2.976 871 HA LYS 109 HA LYS 109 8.834 -10.079 3.208 872 HB2 LYS 109 2HB LYS 109 6.682 -9.268 1.207 873 HB3 LYS 109 3HB LYS 109 8.341 -8.688 1.123 874 HG2 LYS 109 2HG LYS 109 7.343 -11.512 0.750 875 HG3 LYS 109 3HG LYS 109 8.141 -10.483 -0.433 876 HD2 LYS 109 2HD LYS 109 9.417 -11.691 2.050 877 HD3 LYS 109 3HD LYS 109 9.640 -12.243 0.397 878 HE2 LYS 109 2HE LYS 109 10.737 -10.103 -0.179 879 HE3 LYS 109 3HE LYS 109 10.485 -9.529 1.472 880 HZ1 LYS 109 3HZ LYS 109 11.833 -11.499 2.202 881 HZ2 LYS 109 1HZ LYS 109 12.689 -10.321 1.341 882 HZ3 LYS 109 2HZ LYS 109 12.229 -11.756 0.576 883 H ALA 110 H ALA 110 5.745 -8.454 3.804 884 HA ALA 110 HA ALA 110 6.703 -5.852 4.335 885 HB1 ALA 110 3HB ALA 110 4.294 -6.487 4.126 886 HB2 ALA 110 1HB ALA 110 4.630 -5.532 5.568 887 HB3 ALA 110 2HB ALA 110 4.391 -7.274 5.699 888 H LEU 111 H LEU 111 6.219 -8.646 6.507 889 HA LEU 111 HA LEU 111 7.354 -7.559 8.873 890 HB2 LEU 111 2HB LEU 111 7.229 -10.460 7.955 891 HB3 LEU 111 3HB LEU 111 7.545 -9.940 9.603 892 HG LEU 111 HG LEU 111 4.939 -9.379 8.133 893 HD11 LEU 111 1HD1 LEU 111 3.929 -11.197 9.399 894 HD12 LEU 111 2HD1 LEU 111 5.484 -11.593 10.135 895 HD13 LEU 111 3HD1 LEU 111 5.249 -11.806 8.398 896 HD21 LEU 111 3HD2 LEU 111 5.639 -9.134 11.075 897 HD22 LEU 111 1HD2 LEU 111 4.049 -8.856 10.356 898 HD23 LEU 111 2HD2 LEU 111 5.397 -7.800 9.943 899 H ASP 112 H ASP 112 8.758 -9.112 6.077 900 HA ASP 112 HA ASP 112 11.310 -9.852 7.079 901 HB2 ASP 112 2HB ASP 112 10.185 -10.823 5.044 902 HB3 ASP 112 3HB ASP 112 10.435 -9.308 4.196 903 H LEU 113 H LEU 113 10.048 -6.944 5.511 904 HA LEU 113 HA LEU 113 12.530 -5.604 5.138 905 HB2 LEU 113 2HB LEU 113 9.729 -4.444 5.404 906 HB3 LEU 113 3HB LEU 113 11.139 -3.562 4.838 907 HG LEU 113 HG LEU 113 9.789 -5.890 3.424 908 HD11 LEU 113 1HD1 LEU 113 9.227 -4.253 1.691 909 HD12 LEU 113 2HD1 LEU 113 9.953 -2.967 2.658 910 HD13 LEU 113 3HD1 LEU 113 8.526 -3.819 3.250 911 HD21 LEU 113 3HD2 LEU 113 11.373 -5.530 1.574 912 HD22 LEU 113 1HD2 LEU 113 12.186 -6.049 3.050 913 HD23 LEU 113 2HD2 LEU 113 12.255 -4.356 2.556 914 H ASP 114 H ASP 114 9.998 -5.271 7.695 915 HA ASP 114 HA ASP 114 11.979 -5.209 9.746 916 HB2 ASP 114 2HB ASP 114 12.016 -2.768 8.907 917 HB3 ASP 114 3HB ASP 114 10.392 -2.600 9.563 918 H SER 115 H SER 115 11.165 -5.466 11.792 919 HA SER 115 HA SER 115 8.881 -7.017 12.114 920 HB2 SER 115 2HB SER 115 9.391 -6.790 14.578 921 HB3 SER 115 3HB SER 115 10.795 -7.206 13.600 922 HG SER 115 HG SER 115 10.890 -4.657 13.602 923 H SER 116 H SER 116 9.258 -3.540 12.395 924 HA SER 116 HA SER 116 7.041 -2.814 13.937 925 HB2 SER 116 2HB SER 116 7.233 -0.597 12.714 926 HB3 SER 116 3HB SER 116 8.748 -1.185 13.398 927 HG SER 116 HG SER 116 9.534 -1.492 11.456 928 H CYS 117 H CYS 117 7.088 -4.200 10.801 929 HA CYS 117 HA CYS 117 4.450 -3.296 10.020 930 HB2 CYS 117 2HB CYS 117 6.393 -3.904 8.439 931 HB3 CYS 117 3HB CYS 117 5.946 -5.587 8.726 932 HG CYS 117 HG CYS 117 3.356 -5.321 7.739 933 H LYS 118 H LYS 118 4.992 -5.085 12.585 934 HA LYS 118 HA LYS 118 3.870 -7.521 12.617 935 HB2 LYS 118 2HB LYS 118 3.184 -5.252 14.519 936 HB3 LYS 118 3HB LYS 118 2.714 -6.917 14.823 937 HG2 LYS 118 2HG LYS 118 5.549 -5.870 14.612 938 HG3 LYS 118 3HG LYS 118 4.709 -6.315 16.094 939 HD2 LYS 118 2HD LYS 118 5.448 -8.219 13.835 940 HD3 LYS 118 3HD LYS 118 6.284 -8.081 15.381 941 HE2 LYS 118 2HE LYS 118 4.256 -8.827 16.560 942 HE3 LYS 118 3HE LYS 118 3.390 -8.941 15.027 943 HZ1 LYS 118 3HZ LYS 118 5.010 -10.619 14.320 944 HZ2 LYS 118 1HZ LYS 118 4.156 -11.103 15.700 945 HZ3 LYS 118 2HZ LYS 118 5.747 -10.551 15.836 946 H GLU 119 H GLU 119 1.916 -4.663 11.852 947 HA GLU 119 HA GLU 119 -0.680 -5.590 12.012 948 HB2 GLU 119 2HB GLU 119 -1.155 -4.039 10.064 949 HB3 GLU 119 3HB GLU 119 -0.246 -3.306 11.384 950 HG2 GLU 119 2HG GLU 119 1.855 -3.567 10.109 951 HG3 GLU 119 3HG GLU 119 0.956 -4.339 8.798 952 H ALA 120 H ALA 120 1.674 -6.244 9.463 953 HA ALA 120 HA ALA 120 0.017 -7.749 7.719 954 HB1 ALA 120 3HB ALA 120 2.073 -6.633 6.987 955 HB2 ALA 120 1HB ALA 120 2.124 -8.351 6.611 956 HB3 ALA 120 2HB ALA 120 3.045 -7.721 7.983 957 H ALA 121 H ALA 121 1.748 -8.606 10.664 958 HA ALA 121 HA ALA 121 1.893 -11.447 10.181 959 HB1 ALA 121 3HB ALA 121 2.009 -9.928 12.814 960 HB2 ALA 121 1HB ALA 121 3.387 -10.354 11.801 961 HB3 ALA 121 2HB ALA 121 2.442 -11.625 12.576 962 H ASP 122 H ASP 122 -0.329 -9.290 11.906 963 HA ASP 122 HA ASP 122 -2.259 -11.148 12.770 964 HB2 ASP 122 2HB ASP 122 -2.260 -8.834 13.571 965 HB3 ASP 122 3HB ASP 122 -2.532 -8.220 11.944 966 H GLY 123 H GLY 123 -1.965 -9.317 9.726 967 HA2 GLY 123 2HA GLY 123 -4.282 -10.281 8.417 968 HA3 GLY 123 3HA GLY 123 -2.870 -9.585 7.633 969 H TYR 124 H TYR 124 -0.987 -11.522 8.586 970 HA TYR 124 HA TYR 124 -1.150 -13.483 6.555 971 HB2 TYR 124 2HB TYR 124 1.009 -12.734 7.294 972 HB3 TYR 124 3HB TYR 124 0.664 -13.141 8.971 973 HD1 TYR 124 HD1 TYR 124 0.271 -15.227 5.846 974 HD2 TYR 124 HD2 TYR 124 2.305 -14.715 9.559 975 HE1 TYR 124 HE1 TYR 124 1.365 -17.402 5.551 976 HE2 TYR 124 HE2 TYR 124 3.398 -16.883 9.262 977 HH TYR 124 HH TYR 124 3.316 -18.611 6.308 978 H GLN 125 H GLN 125 -1.397 -13.817 10.114 979 HA GLN 125 HA GLN 125 -2.032 -16.535 10.250 980 HB2 GLN 125 2HB GLN 125 -2.306 -14.181 12.084 981 HB3 GLN 125 3HB GLN 125 -3.246 -15.603 12.509 982 HG2 GLN 125 2HG GLN 125 -0.957 -15.394 13.598 983 HG3 GLN 125 3HG GLN 125 -1.316 -16.934 12.826 984 HE21 GLN 125 1HE2 GLN 125 0.554 -13.974 12.555 985 HE22 GLN 125 2HE2 GLN 125 1.689 -14.572 11.400 986 H ARG 126 H ARG 126 -4.079 -13.843 9.442 987 HA ARG 126 HA ARG 126 -6.578 -15.309 9.575 988 HB2 ARG 126 2HB ARG 126 -6.468 -12.854 9.904 989 HB3 ARG 126 3HB ARG 126 -5.826 -12.655 8.279 990 HG2 ARG 126 2HG ARG 126 -8.018 -13.663 7.430 991 HG3 ARG 126 3HG ARG 126 -8.625 -13.498 9.080 992 HD2 ARG 126 2HD ARG 126 -9.295 -11.584 7.684 993 HD3 ARG 126 3HD ARG 126 -8.226 -11.066 8.995 994 HE ARG 126 HE ARG 126 -7.240 -11.566 6.241 995 HH11 ARG 126 1HH1 ARG 126 -7.401 -9.421 9.042 996 HH12 ARG 126 2HH1 ARG 126 -6.288 -8.279 8.357 997 HH21 ARG 126 1HH2 ARG 126 -5.761 -10.116 5.412 998 HH22 ARG 126 2HH2 ARG 126 -5.357 -8.674 6.296 999 H CYS 127 H CYS 127 -4.097 -14.592 7.152 1000 HA CYS 127 HA CYS 127 -5.712 -15.120 4.814 1001 HB2 CYS 127 2HB CYS 127 -3.790 -13.521 4.825 1002 HB3 CYS 127 3HB CYS 127 -2.679 -14.868 5.061 1003 HG CYS 127 HG CYS 127 -4.398 -13.954 2.291 1004 H MET 128 H MET 128 -3.326 -16.908 6.717 1005 HA MET 128 HA MET 128 -3.107 -19.174 5.002 1006 HB2 MET 128 2HB MET 128 -2.113 -20.337 7.006 1007 HB3 MET 128 3HB MET 128 -1.326 -18.823 6.584 1008 HG2 MET 128 2HG MET 128 -2.309 -17.692 8.444 1009 HG3 MET 128 3HG MET 128 -3.405 -19.033 8.767 1010 HE1 MET 128 3HE MET 128 -1.072 -21.745 10.284 1011 HE2 MET 128 1HE MET 128 -1.636 -21.623 8.617 1012 HE3 MET 128 2HE MET 128 -2.736 -21.265 9.950 1013 H MET 129 H MET 129 -5.132 -18.532 7.907 1014 HA MET 129 HA MET 129 -6.323 -21.153 7.912 1015 HB2 MET 129 2HB MET 129 -7.749 -20.377 9.698 1016 HB3 MET 129 3HB MET 129 -6.139 -19.733 9.978 1017 HG2 MET 129 2HG MET 129 -6.800 -17.535 9.333 1018 HG3 MET 129 3HG MET 129 -8.333 -18.109 8.680 1019 HE1 MET 129 3HE MET 129 -10.343 -19.029 11.905 1020 HE2 MET 129 1HE MET 129 -9.408 -20.112 10.875 1021 HE3 MET 129 2HE MET 129 -10.409 -18.852 10.151 1022 H ALA 130 H ALA 130 -6.900 -18.273 6.172 1023 HA ALA 130 HA ALA 130 -9.642 -18.365 5.614 1024 HB1 ALA 130 3HB ALA 130 -8.226 -16.417 5.163 1025 HB2 ALA 130 1HB ALA 130 -9.105 -16.902 3.712 1026 HB3 ALA 130 2HB ALA 130 -7.392 -17.296 3.882 1027 H GLN 131 H GLN 131 -6.895 -19.817 3.833 1028 HA GLN 131 HA GLN 131 -8.564 -21.106 1.864 1029 HB2 GLN 131 2HB GLN 131 -6.435 -22.377 1.256 1030 HB3 GLN 131 3HB GLN 131 -6.336 -20.625 1.128 1031 HG2 GLN 131 2HG GLN 131 -5.074 -20.496 3.172 1032 HG3 GLN 131 3HG GLN 131 -5.311 -22.213 3.476 1033 HE21 GLN 131 1HE2 GLN 131 -2.816 -20.902 3.349 1034 HE22 GLN 131 2HE2 GLN 131 -1.929 -21.570 2.025 1035 H TYR 132 H TYR 132 -7.913 -21.842 5.118 1036 HA TYR 132 HA TYR 132 -8.345 -24.757 4.780 1037 HB2 TYR 132 2HB TYR 132 -7.557 -23.234 7.313 1038 HB3 TYR 132 3HB TYR 132 -7.556 -24.981 7.097 1039 HD1 TYR 132 HD1 TYR 132 -6.228 -24.704 4.197 1040 HD2 TYR 132 HD2 TYR 132 -5.214 -23.231 8.080 1041 HE1 TYR 132 HE1 TYR 132 -3.894 -24.563 3.521 1042 HE2 TYR 132 HE2 TYR 132 -2.855 -23.126 7.419 1043 HH TYR 132 HH TYR 132 -1.353 -24.146 5.765 1044 H ASN 133 H ASN 133 -10.506 -22.963 4.298 1045 HA ASN 133 HA ASN 133 -12.361 -23.614 6.519 1046 HB2 ASN 133 2HB ASN 133 -12.425 -21.136 4.732 1047 HB3 ASN 133 3HB ASN 133 -13.669 -21.567 5.900 1048 HD21 ASN 133 1HD2 ASN 133 -11.746 -22.456 7.956 1049 HD22 ASN 133 2HD2 ASN 133 -11.005 -21.019 8.556 Start of MODEL 4 1 H1 MET 1 1H MET 1 41.147 25.027 10.948 2 H2 MET 1 2H MET 1 41.392 23.612 10.055 3 H3 MET 1 3H MET 1 42.565 24.128 11.159 4 HA MET 1 HA MET 1 41.302 22.278 12.019 5 HB2 MET 1 2HB MET 1 42.270 23.974 13.558 6 HB3 MET 1 3HB MET 1 40.797 24.931 13.447 7 HG2 MET 1 2HG MET 1 40.896 23.684 15.550 8 HG3 MET 1 3HG MET 1 39.542 23.134 14.558 9 HE1 MET 1 3HE MET 1 40.821 19.881 16.459 10 HE2 MET 1 1HE MET 1 39.434 20.939 16.202 11 HE3 MET 1 2HE MET 1 40.844 21.530 17.088 12 H GLY 2 H GLY 2 39.552 21.359 11.010 13 HA2 GLY 2 2HA GLY 2 36.921 22.754 11.145 14 HA3 GLY 2 3HA GLY 2 37.463 21.872 9.724 15 H HIS 3 H HIS 3 38.218 20.604 12.884 16 HA HIS 3 HA HIS 3 36.676 18.204 12.442 17 HB2 HIS 3 2HB HIS 3 38.337 19.153 14.813 18 HB3 HIS 3 3HB HIS 3 37.478 17.617 14.809 19 HD1 HIS 3 HD1 HIS 3 40.238 17.119 15.253 20 HD2 HIS 3 HD2 HIS 3 38.888 17.797 11.381 21 HE1 HIS 3 HE1 HIS 3 41.955 16.080 13.741 22 HE2 HIS 3 HE2 HIS 3 41.054 16.413 11.419 23 H HIS 4 H HIS 4 34.614 19.182 12.233 24 HA HIS 4 HA HIS 4 33.054 19.061 14.685 25 HB2 HIS 4 2HB HIS 4 33.173 21.568 12.944 26 HB3 HIS 4 3HB HIS 4 31.699 21.171 13.820 27 HD1 HIS 4 HD1 HIS 4 34.626 23.161 14.190 28 HD2 HIS 4 HD2 HIS 4 32.378 20.804 16.760 29 HE1 HIS 4 HE1 HIS 4 35.215 23.934 16.501 30 HE2 HIS 4 HE2 HIS 4 33.981 22.369 18.026 31 H HIS 5 H HIS 5 30.861 18.508 14.223 32 HA HIS 5 HA HIS 5 30.387 16.983 11.870 33 HB2 HIS 5 2HB HIS 5 29.274 16.517 14.049 34 HB3 HIS 5 3HB HIS 5 28.397 18.039 13.936 35 HD1 HIS 5 HD1 HIS 5 26.138 17.892 12.894 36 HD2 HIS 5 HD2 HIS 5 28.532 14.671 11.842 37 HE1 HIS 5 HE1 HIS 5 24.671 16.374 11.548 38 HE2 HIS 5 HE2 HIS 5 26.089 14.353 11.101 39 H HIS 6 H HIS 6 29.206 17.503 10.001 40 HA HIS 6 HA HIS 6 29.224 20.214 9.158 41 HB2 HIS 6 2HB HIS 6 28.478 19.462 7.022 42 HB3 HIS 6 3HB HIS 6 29.470 18.155 7.646 43 HD1 HIS 6 HD1 HIS 6 26.325 18.780 6.071 44 HD2 HIS 6 HD2 HIS 6 27.725 15.963 8.773 45 HE1 HIS 6 HE1 HIS 6 24.706 16.882 5.949 46 HE2 HIS 6 HE2 HIS 6 25.474 15.280 7.721 47 H HIS 7 H HIS 7 27.616 21.689 8.942 48 HA HIS 7 HA HIS 7 25.375 21.444 10.768 49 HB2 HIS 7 2HB HIS 7 26.217 23.804 9.018 50 HB3 HIS 7 3HB HIS 7 25.029 23.860 10.317 51 HD1 HIS 7 HD1 HIS 7 25.908 24.434 12.600 52 HD2 HIS 7 HD2 HIS 7 28.944 23.251 10.015 53 HE1 HIS 7 HE1 HIS 7 28.058 24.894 13.814 54 HE2 HIS 7 HE2 HIS 7 29.869 24.158 12.241 55 H HIS 8 H HIS 8 23.532 20.523 10.083 56 HA HIS 8 HA HIS 8 22.735 20.492 7.287 57 HB2 HIS 8 2HB HIS 8 20.785 19.113 8.134 58 HB3 HIS 8 3HB HIS 8 22.369 18.434 8.467 59 HD1 HIS 8 HD1 HIS 8 19.735 20.482 10.324 60 HD2 HIS 8 HD2 HIS 8 22.645 17.620 11.056 61 HE1 HIS 8 HE1 HIS 8 19.479 19.862 12.735 62 HE2 HIS 8 HE2 HIS 8 21.307 18.200 13.172 63 H SER 9 H SER 9 22.756 22.935 7.425 64 HA SER 9 HA SER 9 20.634 24.279 8.864 65 HB2 SER 9 2HB SER 9 21.724 26.345 7.844 66 HB3 SER 9 3HB SER 9 22.811 25.343 8.802 67 HG SER 9 HG SER 9 22.621 25.547 5.988 68 H HIS 10 H HIS 10 20.134 22.466 6.417 69 HA HIS 10 HA HIS 10 18.565 24.191 4.669 70 HB2 HIS 10 2HB HIS 10 18.733 21.139 4.863 71 HB3 HIS 10 3HB HIS 10 17.810 22.014 3.647 72 HD1 HIS 10 HD1 HIS 10 19.007 22.279 1.491 73 HD2 HIS 10 HD2 HIS 10 21.664 21.908 4.668 74 HE1 HIS 10 HE1 HIS 10 21.296 22.264 0.464 75 HE2 HIS 10 HE2 HIS 10 22.877 22.073 2.402 76 H MET 11 H MET 11 16.785 25.074 5.609 77 HA MET 11 HA MET 11 15.609 24.114 8.014 78 HB2 MET 11 2HB MET 11 14.631 26.250 6.065 79 HB3 MET 11 3HB MET 11 13.940 25.961 7.663 80 HG2 MET 11 2HG MET 11 16.778 26.847 7.084 81 HG3 MET 11 3HG MET 11 15.476 27.844 7.744 82 HE1 MET 11 3HE MET 11 17.955 27.314 10.809 83 HE2 MET 11 1HE MET 11 17.128 28.524 9.829 84 HE3 MET 11 2HE MET 11 18.384 27.514 9.110 85 H ASN 12 H ASN 12 14.578 23.909 4.631 86 HA ASN 12 HA ASN 12 12.454 21.999 5.363 87 HB2 ASN 12 2HB ASN 12 11.990 22.000 2.836 88 HB3 ASN 12 3HB ASN 12 11.674 23.510 3.675 89 HD21 ASN 12 1HD2 ASN 12 13.801 21.892 1.390 90 HD22 ASN 12 2HD2 ASN 12 14.533 23.332 0.773 91 HA PRO 13 HA PRO 13 15.654 18.767 4.645 92 HB2 PRO 13 2HB PRO 13 13.435 16.934 5.491 93 HB3 PRO 13 3HB PRO 13 15.063 17.116 6.179 94 HG2 PRO 13 2HG PRO 13 12.905 17.988 7.498 95 HG3 PRO 13 3HG PRO 13 14.443 18.881 7.558 96 HD2 PRO 13 2HD PRO 13 11.988 19.465 5.890 97 HD3 PRO 13 3HD PRO 13 13.007 20.587 6.825 98 H ASP 14 H ASP 14 12.231 18.662 3.693 99 HA ASP 14 HA ASP 14 12.833 18.013 0.954 100 HB2 ASP 14 2HB ASP 14 12.946 15.736 1.896 101 HB3 ASP 14 3HB ASP 14 11.394 15.952 2.701 102 H LEU 15 H LEU 15 11.514 19.449 -0.029 103 HA LEU 15 HA LEU 15 9.232 20.661 1.112 104 HB2 LEU 15 2HB LEU 15 9.947 20.485 -1.846 105 HB3 LEU 15 3HB LEU 15 8.760 21.568 -1.143 106 HG LEU 15 HG LEU 15 10.816 22.509 0.243 107 HD11 LEU 15 1HD1 LEU 15 12.289 21.259 -2.086 108 HD12 LEU 15 2HD1 LEU 15 12.474 20.859 -0.377 109 HD13 LEU 15 3HD1 LEU 15 12.960 22.446 -0.960 110 HD21 LEU 15 3HD2 LEU 15 11.266 24.178 -1.508 111 HD22 LEU 15 1HD2 LEU 15 9.543 23.826 -1.377 112 HD23 LEU 15 2HD2 LEU 15 10.483 23.143 -2.705 113 H ALA 16 H ALA 16 9.679 17.872 -0.949 114 HA ALA 16 HA ALA 16 7.021 17.362 -1.706 115 HB1 ALA 16 3HB ALA 16 7.809 15.111 -2.272 116 HB2 ALA 16 1HB ALA 16 9.305 15.401 -1.378 117 HB3 ALA 16 2HB ALA 16 8.944 16.343 -2.828 118 H LEU 17 H LEU 17 8.690 16.823 1.343 119 HA LEU 17 HA LEU 17 6.799 14.866 2.309 120 HB2 LEU 17 2HB LEU 17 8.218 14.573 4.061 121 HB3 LEU 17 3HB LEU 17 9.334 15.486 3.078 122 HG LEU 17 HG LEU 17 8.386 17.575 4.455 123 HD11 LEU 17 1HD1 LEU 17 6.612 16.358 5.643 124 HD12 LEU 17 2HD1 LEU 17 7.781 17.034 6.777 125 HD13 LEU 17 3HD1 LEU 17 7.816 15.309 6.395 126 HD21 LEU 17 3HD2 LEU 17 10.184 17.299 6.114 127 HD22 LEU 17 1HD2 LEU 17 10.727 16.856 4.495 128 HD23 LEU 17 2HD2 LEU 17 10.343 15.597 5.673 129 H MET 18 H MET 18 6.987 18.336 2.142 130 HA MET 18 HA MET 18 5.145 18.908 4.298 131 HB2 MET 18 2HB MET 18 5.854 20.748 1.961 132 HB3 MET 18 3HB MET 18 5.273 21.220 3.553 133 HG2 MET 18 2HG MET 18 7.989 20.035 2.913 134 HG3 MET 18 3HG MET 18 7.648 21.715 3.328 135 HE1 MET 18 3HE MET 18 9.639 20.404 6.452 136 HE2 MET 18 1HE MET 18 9.584 21.610 5.167 137 HE3 MET 18 2HE MET 18 9.900 19.917 4.778 138 H VAL 19 H VAL 19 4.939 18.433 0.822 139 HA VAL 19 HA VAL 19 2.128 19.149 0.617 140 HB VAL 19 HB VAL 19 3.801 19.726 -1.168 141 HG11 VAL 19 1HG1 VAL 19 4.493 17.997 -2.793 142 HG12 VAL 19 2HG1 VAL 19 3.784 16.755 -1.759 143 HG13 VAL 19 3HG1 VAL 19 5.149 17.711 -1.179 144 HG21 VAL 19 3HG2 VAL 19 2.346 19.250 -3.100 145 HG22 VAL 19 1HG2 VAL 19 1.394 19.740 -1.695 146 HG23 VAL 19 2HG2 VAL 19 1.471 18.041 -2.159 147 H LYS 20 H LYS 20 3.966 16.154 1.062 148 HA LYS 20 HA LYS 20 1.739 14.460 0.265 149 HB2 LYS 20 2HB LYS 20 3.051 12.573 0.827 150 HB3 LYS 20 3HB LYS 20 4.180 13.734 0.153 151 HG2 LYS 20 2HG LYS 20 4.927 14.315 2.457 152 HG3 LYS 20 3HG LYS 20 3.819 13.107 3.105 153 HD2 LYS 20 2HD LYS 20 6.094 12.192 3.020 154 HD3 LYS 20 3HD LYS 20 5.059 11.322 1.889 155 HE2 LYS 20 2HE LYS 20 5.997 12.642 0.024 156 HE3 LYS 20 3HE LYS 20 7.014 13.531 1.167 157 HZ1 LYS 20 3HZ LYS 20 8.167 11.708 -0.003 158 HZ2 LYS 20 1HZ LYS 20 7.154 10.593 0.762 159 HZ3 LYS 20 2HZ LYS 20 8.203 11.549 1.680 160 H ASN 21 H ASN 21 2.787 16.047 3.165 161 HA ASN 21 HA ASN 21 1.501 14.472 5.135 162 HB2 ASN 21 2HB ASN 21 2.917 17.082 5.052 163 HB3 ASN 21 3HB ASN 21 1.631 17.054 6.248 164 HD21 ASN 21 1HD2 ASN 21 4.538 15.289 5.208 165 HD22 ASN 21 2HD2 ASN 21 4.945 14.714 6.776 166 H LYS 22 H LYS 22 0.351 17.311 3.296 167 HA LYS 22 HA LYS 22 -2.220 17.484 4.519 168 HB2 LYS 22 2HB LYS 22 -2.863 18.781 2.447 169 HB3 LYS 22 3HB LYS 22 -1.405 19.377 3.236 170 HG2 LYS 22 2HG LYS 22 -0.032 18.141 1.580 171 HG3 LYS 22 3HG LYS 22 -1.504 17.630 0.760 172 HD2 LYS 22 2HD LYS 22 -0.700 20.538 1.117 173 HD3 LYS 22 3HD LYS 22 -0.267 19.570 -0.288 174 HE2 LYS 22 2HE LYS 22 -2.709 19.211 -0.733 175 HE3 LYS 22 3HE LYS 22 -3.076 20.304 0.604 176 HZ1 LYS 22 3HZ LYS 22 -1.585 21.003 -1.878 177 HZ2 LYS 22 1HZ LYS 22 -1.840 22.056 -0.573 178 HZ3 LYS 22 2HZ LYS 22 -3.153 21.493 -1.475 179 H GLY 23 H GLY 23 -0.995 15.640 1.717 180 HA2 GLY 23 2HA GLY 23 -3.400 14.488 0.802 181 HA3 GLY 23 3HA GLY 23 -1.800 13.802 0.593 182 H ASN 24 H ASN 24 -1.283 13.586 3.452 183 HA ASN 24 HA ASN 24 -2.343 10.986 3.969 184 HB2 ASN 24 2HB ASN 24 -0.810 12.868 5.819 185 HB3 ASN 24 3HB ASN 24 -1.136 11.168 6.156 186 HD21 ASN 24 1HD2 ASN 24 1.407 12.601 5.876 187 HD22 ASN 24 2HD2 ASN 24 2.289 11.761 4.653 188 H GLU 25 H GLU 25 -3.017 14.238 5.330 189 HA GLU 25 HA GLU 25 -4.841 13.244 7.303 190 HB2 GLU 25 2HB GLU 25 -5.321 15.523 7.901 191 HB3 GLU 25 3HB GLU 25 -3.594 15.417 7.581 192 HG2 GLU 25 2HG GLU 25 -3.942 16.443 5.370 193 HG3 GLU 25 3HG GLU 25 -5.673 16.520 5.676 194 H CYS 26 H CYS 26 -5.226 14.706 4.049 195 HA CYS 26 HA CYS 26 -7.859 15.463 4.042 196 HB2 CYS 26 2HB CYS 26 -6.271 14.267 1.744 197 HB3 CYS 26 3HB CYS 26 -7.826 15.070 1.548 198 HG CYS 26 HG CYS 26 -5.674 16.962 3.220 199 H PHE 27 H PHE 27 -6.641 12.286 3.109 200 HA PHE 27 HA PHE 27 -8.891 10.886 2.403 201 HB2 PHE 27 2HB PHE 27 -6.424 10.198 2.335 202 HB3 PHE 27 3HB PHE 27 -6.554 9.791 4.037 203 HD1 PHE 27 HD2 PHE 27 -7.826 8.945 0.641 204 HD2 PHE 27 HD1 PHE 27 -7.426 7.682 4.695 205 HE1 PHE 27 HE2 PHE 27 -8.560 6.688 0.011 206 HE2 PHE 27 HE1 PHE 27 -8.158 5.418 4.062 207 HZ PHE 27 HZ PHE 27 -8.722 4.930 1.716 208 H GLN 28 H GLN 28 -7.448 11.181 5.599 209 HA GLN 28 HA GLN 28 -9.316 9.637 7.071 210 HB2 GLN 28 2HB GLN 28 -6.914 10.034 7.689 211 HB3 GLN 28 3HB GLN 28 -7.290 11.722 8.004 212 HG2 GLN 28 2HG GLN 28 -7.124 10.499 10.084 213 HG3 GLN 28 3HG GLN 28 -8.778 11.056 9.843 214 HE21 GLN 28 1HE2 GLN 28 -7.398 8.202 8.223 215 HE22 GLN 28 2HE2 GLN 28 -8.373 7.052 9.060 216 H LYS 29 H LYS 29 -9.362 12.966 5.957 217 HA LYS 29 HA LYS 29 -11.236 13.891 8.008 218 HB2 LYS 29 2HB LYS 29 -10.638 15.375 5.414 219 HB3 LYS 29 3HB LYS 29 -11.179 16.034 6.953 220 HG2 LYS 29 2HG LYS 29 -8.440 14.937 6.313 221 HG3 LYS 29 3HG LYS 29 -8.855 16.634 6.501 222 HD2 LYS 29 2HD LYS 29 -9.158 14.652 8.782 223 HD3 LYS 29 3HD LYS 29 -7.612 15.416 8.426 224 HE2 LYS 29 2HE LYS 29 -8.651 16.669 10.171 225 HE3 LYS 29 3HE LYS 29 -8.731 17.650 8.707 226 HZ1 LYS 29 3HZ LYS 29 -10.967 15.989 9.752 227 HZ2 LYS 29 1HZ LYS 29 -11.036 17.073 8.459 228 HZ3 LYS 29 2HZ LYS 29 -10.794 17.647 10.028 229 H GLY 30 H GLY 30 -11.438 12.062 5.148 230 HA2 GLY 30 2HA GLY 30 -13.601 11.048 4.647 231 HA3 GLY 30 3HA GLY 30 -14.353 12.627 4.829 232 H ASP 31 H ASP 31 -11.474 13.185 3.349 233 HA ASP 31 HA ASP 31 -12.699 13.394 0.688 234 HB2 ASP 31 2HB ASP 31 -10.000 14.462 1.686 235 HB3 ASP 31 3HB ASP 31 -10.778 14.861 0.162 236 H TYR 32 H TYR 32 -12.573 10.902 0.675 237 HA TYR 32 HA TYR 32 -10.086 9.551 0.689 238 HB2 TYR 32 2HB TYR 32 -12.820 8.675 -0.327 239 HB3 TYR 32 3HB TYR 32 -11.418 7.613 -0.370 240 HD1 TYR 32 HD1 TYR 32 -12.901 9.926 2.226 241 HD2 TYR 32 HD2 TYR 32 -11.534 5.981 1.335 242 HE1 TYR 32 HE1 TYR 32 -13.408 9.233 4.524 243 HE2 TYR 32 HE2 TYR 32 -12.039 5.293 3.640 244 HH TYR 32 HH TYR 32 -13.903 7.181 5.768 245 HA PRO 33 HA PRO 33 -10.025 9.600 -4.184 246 HB2 PRO 33 2HB PRO 33 -11.895 11.722 -5.095 247 HB3 PRO 33 3HB PRO 33 -11.783 10.028 -5.615 248 HG2 PRO 33 2HG PRO 33 -13.866 10.942 -4.152 249 HG3 PRO 33 3HG PRO 33 -13.259 9.277 -4.011 250 HD2 PRO 33 2HD PRO 33 -12.745 11.631 -2.199 251 HD3 PRO 33 3HD PRO 33 -13.113 9.942 -1.783 252 H GLN 34 H GLN 34 -10.963 12.779 -2.822 253 HA GLN 34 HA GLN 34 -9.248 14.415 -4.318 254 HB2 GLN 34 2HB GLN 34 -11.209 15.214 -2.988 255 HB3 GLN 34 3HB GLN 34 -10.319 14.895 -1.510 256 HG2 GLN 34 2HG GLN 34 -10.063 17.189 -1.748 257 HG3 GLN 34 3HG GLN 34 -8.572 16.596 -2.458 258 HE21 GLN 34 1HE2 GLN 34 -10.134 15.844 -5.006 259 HE22 GLN 34 2HE2 GLN 34 -10.337 17.355 -5.803 260 H ALA 35 H ALA 35 -8.654 12.560 -1.352 261 HA ALA 35 HA ALA 35 -6.157 13.616 -0.582 262 HB1 ALA 35 3HB ALA 35 -7.153 10.757 -0.315 263 HB2 ALA 35 1HB ALA 35 -7.433 12.065 0.831 264 HB3 ALA 35 2HB ALA 35 -5.796 11.466 0.568 265 H MET 36 H MET 36 -7.056 11.155 -2.973 266 HA MET 36 HA MET 36 -4.395 10.262 -3.558 267 HB2 MET 36 2HB MET 36 -6.367 8.848 -4.012 268 HB3 MET 36 3HB MET 36 -6.976 10.025 -5.165 269 HG2 MET 36 2HG MET 36 -5.055 9.584 -6.638 270 HG3 MET 36 3HG MET 36 -4.421 8.424 -5.470 271 HE1 MET 36 3HE MET 36 -8.260 8.905 -6.398 272 HE2 MET 36 1HE MET 36 -8.407 7.769 -7.738 273 HE3 MET 36 2HE MET 36 -7.434 9.227 -7.925 274 H LYS 37 H LYS 37 -6.470 12.831 -4.688 275 HA LYS 37 HA LYS 37 -4.857 13.648 -6.933 276 HB2 LYS 37 2HB LYS 37 -6.983 15.204 -5.385 277 HB3 LYS 37 3HB LYS 37 -6.325 15.639 -6.965 278 HG2 LYS 37 2HG LYS 37 -7.255 13.554 -7.930 279 HG3 LYS 37 3HG LYS 37 -7.917 13.132 -6.345 280 HD2 LYS 37 2HD LYS 37 -9.399 15.071 -6.401 281 HD3 LYS 37 3HD LYS 37 -8.671 15.639 -7.905 282 HE2 LYS 37 2HE LYS 37 -10.222 13.047 -7.582 283 HE3 LYS 37 3HE LYS 37 -10.864 14.541 -8.263 284 HZ1 LYS 37 3HZ LYS 37 -8.594 12.991 -9.387 285 HZ2 LYS 37 1HZ LYS 37 -9.261 14.396 -10.050 286 HZ3 LYS 37 2HZ LYS 37 -10.174 12.979 -9.972 287 H HIS 38 H HIS 38 -5.085 14.507 -3.515 288 HA HIS 38 HA HIS 38 -3.087 16.586 -3.579 289 HB2 HIS 38 2HB HIS 38 -4.253 15.013 -1.244 290 HB3 HIS 38 3HB HIS 38 -3.056 16.290 -1.044 291 HD1 HIS 38 HD1 HIS 38 -3.996 18.559 -2.620 292 HD2 HIS 38 HD2 HIS 38 -6.695 16.089 -0.678 293 HE1 HIS 38 HE1 HIS 38 -6.103 19.895 -2.438 294 HE2 HIS 38 HE2 HIS 38 -7.616 18.470 -1.025 295 H TYR 39 H TYR 39 -2.973 13.095 -3.390 296 HA TYR 39 HA TYR 39 -0.131 12.997 -2.939 297 HB2 TYR 39 2HB TYR 39 -2.095 10.926 -4.005 298 HB3 TYR 39 3HB TYR 39 -0.363 10.619 -3.904 299 HD1 TYR 39 HD2 TYR 39 0.578 11.519 -1.401 300 HD2 TYR 39 HD1 TYR 39 -3.275 9.860 -2.248 301 HE1 TYR 39 HE2 TYR 39 0.357 10.817 0.943 302 HE2 TYR 39 HE1 TYR 39 -3.490 9.161 0.095 303 HH TYR 39 HH TYR 39 -1.396 10.262 2.537 304 H THR 40 H THR 40 -2.254 13.139 -5.823 305 HA THR 40 HA THR 40 -0.348 12.580 -7.813 306 HB THR 40 HB THR 40 -2.812 14.373 -8.003 307 HG1 THR 40 HG1 THR 40 -3.881 12.507 -8.546 308 HG21 THR 40 3HG2 THR 40 -2.830 13.866 -10.412 309 HG22 THR 40 1HG2 THR 40 -1.340 12.939 -10.253 310 HG23 THR 40 2HG2 THR 40 -1.327 14.684 -9.982 311 H GLU 41 H GLU 41 -1.144 15.667 -6.225 312 HA GLU 41 HA GLU 41 0.692 17.248 -7.787 313 HB2 GLU 41 2HB GLU 41 0.199 19.068 -6.247 314 HB3 GLU 41 3HB GLU 41 -1.298 18.254 -6.688 315 HG2 GLU 41 2HG GLU 41 -1.260 17.043 -4.516 316 HG3 GLU 41 3HG GLU 41 0.209 17.913 -4.077 317 H ALA 42 H ALA 42 0.891 15.361 -4.809 318 HA ALA 42 HA ALA 42 3.442 16.269 -3.935 319 HB1 ALA 42 3HB ALA 42 3.482 14.266 -2.515 320 HB2 ALA 42 1HB ALA 42 2.103 13.589 -3.393 321 HB3 ALA 42 2HB ALA 42 1.910 15.058 -2.435 322 H ILE 43 H ILE 43 2.417 13.692 -6.195 323 HA ILE 43 HA ILE 43 4.821 12.377 -6.700 324 HB ILE 43 HB ILE 43 2.283 12.791 -8.305 325 HG12 ILE 43 2HG1 ILE 43 2.236 10.289 -8.367 326 HG13 ILE 43 3HG1 ILE 43 3.778 10.247 -7.530 327 HG21 ILE 43 1HG2 ILE 43 3.115 11.473 -10.241 328 HG22 ILE 43 2HG2 ILE 43 4.748 11.555 -9.576 329 HG23 ILE 43 3HG2 ILE 43 3.932 13.033 -10.090 330 HD11 ILE 43 3HD1 ILE 43 2.698 11.243 -5.562 331 HD12 ILE 43 1HD1 ILE 43 1.977 9.709 -6.049 332 HD13 ILE 43 2HD1 ILE 43 1.158 11.224 -6.426 333 H LYS 44 H LYS 44 3.614 15.469 -7.932 334 HA LYS 44 HA LYS 44 5.483 16.005 -9.978 335 HB2 LYS 44 2HB LYS 44 4.104 18.011 -8.139 336 HB3 LYS 44 3HB LYS 44 4.851 18.392 -9.687 337 HG2 LYS 44 2HG LYS 44 2.423 16.618 -9.280 338 HG3 LYS 44 3HG LYS 44 2.398 18.289 -9.843 339 HD2 LYS 44 2HD LYS 44 3.608 17.655 -11.879 340 HD3 LYS 44 3HD LYS 44 3.768 15.991 -11.303 341 HE2 LYS 44 2HE LYS 44 1.138 17.387 -11.889 342 HE3 LYS 44 3HE LYS 44 1.947 16.249 -12.967 343 HZ1 LYS 44 3HZ LYS 44 1.698 14.531 -11.288 344 HZ2 LYS 44 1HZ LYS 44 0.194 15.191 -11.693 345 HZ3 LYS 44 2HZ LYS 44 0.942 15.624 -10.243 346 H ARG 45 H ARG 45 5.605 16.484 -6.506 347 HA ARG 45 HA ARG 45 8.086 17.975 -6.475 348 HB2 ARG 45 2HB ARG 45 6.329 16.790 -4.288 349 HB3 ARG 45 3HB ARG 45 7.809 17.677 -3.947 350 HG2 ARG 45 2HG ARG 45 5.468 18.865 -5.469 351 HG3 ARG 45 3HG ARG 45 5.680 19.008 -3.724 352 HD2 ARG 45 2HD ARG 45 7.825 20.167 -4.065 353 HD3 ARG 45 3HD ARG 45 7.637 20.011 -5.813 354 HE ARG 45 HE ARG 45 5.393 21.313 -5.179 355 HH11 ARG 45 1HH1 ARG 45 8.717 21.970 -4.192 356 HH12 ARG 45 2HH1 ARG 45 8.450 23.679 -4.035 357 HH21 ARG 45 1HH2 ARG 45 5.058 23.536 -4.962 358 HH22 ARG 45 2HH2 ARG 45 6.366 24.570 -4.473 359 H ASN 46 H ASN 46 7.067 14.644 -5.589 360 HA ASN 46 HA ASN 46 9.916 13.822 -5.600 361 HB2 ASN 46 2HB ASN 46 8.972 11.723 -4.291 362 HB3 ASN 46 3HB ASN 46 9.355 13.192 -3.446 363 HD21 ASN 46 1HD2 ASN 46 6.372 12.437 -5.278 364 HD22 ASN 46 2HD2 ASN 46 5.340 12.564 -3.909 365 HA PRO 47 HA PRO 47 8.489 11.433 -9.295 366 HB2 PRO 47 2HB PRO 47 10.965 11.397 -10.509 367 HB3 PRO 47 3HB PRO 47 9.833 12.755 -10.679 368 HG2 PRO 47 2HG PRO 47 12.163 12.486 -8.790 369 HG3 PRO 47 3HG PRO 47 11.733 13.849 -9.853 370 HD2 PRO 47 2HD PRO 47 11.103 13.894 -7.244 371 HD3 PRO 47 3HD PRO 47 9.991 14.565 -8.455 372 H LYS 48 H LYS 48 10.683 10.860 -6.667 373 HA LYS 48 HA LYS 48 11.005 8.003 -7.459 374 HB2 LYS 48 2HB LYS 48 12.868 7.946 -5.747 375 HB3 LYS 48 3HB LYS 48 13.175 8.967 -7.134 376 HG2 LYS 48 2HG LYS 48 14.075 10.086 -5.248 377 HG3 LYS 48 3HG LYS 48 12.617 10.966 -5.693 378 HD2 LYS 48 2HD LYS 48 11.434 10.210 -3.788 379 HD3 LYS 48 3HD LYS 48 12.538 8.862 -3.518 380 HE2 LYS 48 2HE LYS 48 12.815 10.657 -1.833 381 HE3 LYS 48 3HE LYS 48 14.284 10.389 -2.768 382 HZ1 LYS 48 3HZ LYS 48 13.871 12.733 -2.468 383 HZ2 LYS 48 1HZ LYS 48 12.339 12.601 -3.165 384 HZ3 LYS 48 2HZ LYS 48 13.718 12.342 -4.102 385 H ASP 49 H ASP 49 8.600 9.104 -6.441 386 HA ASP 49 HA ASP 49 8.336 8.689 -3.599 387 HB2 ASP 49 2HB ASP 49 6.161 9.634 -3.940 388 HB3 ASP 49 3HB ASP 49 7.270 10.508 -4.973 389 H ALA 50 H ALA 50 9.020 6.212 -4.720 390 HA ALA 50 HA ALA 50 7.009 4.534 -5.630 391 HB1 ALA 50 3HB ALA 50 8.510 2.721 -5.082 392 HB2 ALA 50 1HB ALA 50 9.420 3.765 -3.985 393 HB3 ALA 50 2HB ALA 50 9.422 4.088 -5.718 394 H LYS 51 H LYS 51 7.796 5.350 -2.271 395 HA LYS 51 HA LYS 51 6.002 3.365 -1.160 396 HB2 LYS 51 2HB LYS 51 6.683 4.129 1.005 397 HB3 LYS 51 3HB LYS 51 8.106 4.064 -0.015 398 HG2 LYS 51 2HG LYS 51 8.452 6.034 1.165 399 HG3 LYS 51 3HG LYS 51 7.732 6.634 -0.328 400 HD2 LYS 51 2HD LYS 51 6.811 7.756 1.695 401 HD3 LYS 51 3HD LYS 51 5.567 6.909 0.779 402 HE2 LYS 51 2HE LYS 51 5.207 6.531 3.149 403 HE3 LYS 51 3HE LYS 51 5.729 5.011 2.422 404 HZ1 LYS 51 3HZ LYS 51 6.886 5.324 4.460 405 HZ2 LYS 51 1HZ LYS 51 7.367 6.886 4.036 406 HZ3 LYS 51 2HZ LYS 51 8.004 5.554 3.217 407 H LEU 52 H LEU 52 5.693 6.681 -2.222 408 HA LEU 52 HA LEU 52 3.249 7.347 -0.881 409 HB2 LEU 52 2HB LEU 52 4.558 8.411 -3.408 410 HB3 LEU 52 3HB LEU 52 2.956 8.948 -2.949 411 HG LEU 52 HG LEU 52 4.612 10.598 -2.291 412 HD11 LEU 52 1HD1 LEU 52 2.647 10.416 -0.895 413 HD12 LEU 52 2HD1 LEU 52 4.048 10.877 0.065 414 HD13 LEU 52 3HD1 LEU 52 3.444 9.220 0.135 415 HD21 LEU 52 3HD2 LEU 52 6.346 10.168 -0.593 416 HD22 LEU 52 1HD2 LEU 52 6.595 9.200 -2.044 417 HD23 LEU 52 2HD2 LEU 52 5.926 8.455 -0.595 418 H TYR 53 H TYR 53 4.067 5.554 -3.756 419 HA TYR 53 HA TYR 53 1.442 5.189 -4.772 420 HB2 TYR 53 2HB TYR 53 3.965 3.522 -5.139 421 HB3 TYR 53 3HB TYR 53 2.481 3.299 -6.066 422 HD1 TYR 53 HD1 TYR 53 1.665 6.097 -6.636 423 HD2 TYR 53 HD2 TYR 53 5.555 4.328 -6.755 424 HE1 TYR 53 HE1 TYR 53 2.366 7.773 -8.270 425 HE2 TYR 53 HE2 TYR 53 6.274 6.035 -8.390 426 HH TYR 53 HH TYR 53 4.663 8.833 -8.933 427 H SER 54 H SER 54 3.249 3.581 -2.197 428 HA SER 54 HA SER 54 1.510 1.384 -1.755 429 HB2 SER 54 2HB SER 54 3.116 2.931 0.331 430 HB3 SER 54 3HB SER 54 2.464 1.301 0.514 431 HG SER 54 HG SER 54 3.980 1.484 -1.720 432 H ASN 55 H ASN 55 1.406 4.774 -0.763 433 HA ASN 55 HA ASN 55 -0.927 4.632 0.904 434 HB2 ASN 55 2HB ASN 55 0.333 7.037 -0.502 435 HB3 ASN 55 3HB ASN 55 -0.943 7.131 0.709 436 HD21 ASN 55 1HD2 ASN 55 0.312 8.408 2.057 437 HD22 ASN 55 2HD2 ASN 55 1.647 7.779 2.957 438 H ARG 56 H ARG 56 -0.329 5.193 -2.514 439 HA ARG 56 HA ARG 56 -2.904 6.131 -3.278 440 HB2 ARG 56 2HB ARG 56 -0.778 6.451 -4.571 441 HB3 ARG 56 3HB ARG 56 -0.760 4.730 -4.936 442 HG2 ARG 56 2HG ARG 56 -2.917 5.027 -6.170 443 HG3 ARG 56 3HG ARG 56 -2.808 6.765 -5.882 444 HD2 ARG 56 2HD ARG 56 -1.986 6.121 -8.139 445 HD3 ARG 56 3HD ARG 56 -0.733 6.891 -7.164 446 HE ARG 56 HE ARG 56 -0.375 4.223 -6.714 447 HH11 ARG 56 1HH1 ARG 56 -0.447 6.120 -9.713 448 HH12 ARG 56 2HH1 ARG 56 0.639 5.040 -10.528 449 HH21 ARG 56 1HH2 ARG 56 1.116 2.936 -7.767 450 HH22 ARG 56 2HH2 ARG 56 1.519 3.246 -9.421 451 H ALA 57 H ALA 57 -1.359 2.906 -3.383 452 HA ALA 57 HA ALA 57 -3.568 1.355 -4.174 453 HB1 ALA 57 3HB ALA 57 -1.255 0.505 -4.168 454 HB2 ALA 57 1HB ALA 57 -2.318 -0.557 -3.244 455 HB3 ALA 57 2HB ALA 57 -1.228 0.552 -2.404 456 H ALA 58 H ALA 58 -2.488 2.488 -1.009 457 HA ALA 58 HA ALA 58 -4.395 1.132 0.606 458 HB1 ALA 58 3HB ALA 58 -2.299 2.057 1.506 459 HB2 ALA 58 1HB ALA 58 -3.697 2.690 2.377 460 HB3 ALA 58 2HB ALA 58 -2.871 3.694 1.183 461 H CYS 59 H CYS 59 -4.610 4.003 -1.371 462 HA CYS 59 HA CYS 59 -7.159 4.858 -0.309 463 HB2 CYS 59 2HB CYS 59 -5.787 5.557 -2.947 464 HB3 CYS 59 3HB CYS 59 -7.236 6.340 -2.316 465 HG CYS 59 HG CYS 59 -4.029 6.810 -1.524 466 H TYR 60 H TYR 60 -6.040 3.130 -3.246 467 HA TYR 60 HA TYR 60 -8.460 2.721 -4.548 468 HB2 TYR 60 2HB TYR 60 -5.938 1.023 -4.597 469 HB3 TYR 60 3HB TYR 60 -7.292 0.761 -5.696 470 HD1 TYR 60 HD1 TYR 60 -8.010 3.680 -6.216 471 HD2 TYR 60 HD2 TYR 60 -4.248 1.641 -6.189 472 HE1 TYR 60 HE1 TYR 60 -7.100 5.326 -7.790 473 HE2 TYR 60 HE2 TYR 60 -3.342 3.296 -7.756 474 HH TYR 60 HH TYR 60 -4.875 6.235 -8.418 475 H THR 61 H THR 61 -7.145 0.882 -1.870 476 HA THR 61 HA THR 61 -8.812 -1.378 -1.977 477 HB THR 61 HB THR 61 -8.416 -1.493 0.550 478 HG1 THR 61 HG1 THR 61 -6.551 0.589 0.259 479 HG21 THR 61 3HG2 THR 61 -6.852 -2.584 -1.040 480 HG22 THR 61 1HG2 THR 61 -6.005 -1.954 0.375 481 HG23 THR 61 2HG2 THR 61 -5.932 -1.082 -1.157 482 H LYS 62 H LYS 62 -9.312 1.810 -0.386 483 HA LYS 62 HA LYS 62 -11.916 1.176 0.693 484 HB2 LYS 62 2HB LYS 62 -10.446 3.824 0.363 485 HB3 LYS 62 3HB LYS 62 -12.083 3.743 1.000 486 HG2 LYS 62 2HG LYS 62 -10.563 3.936 2.843 487 HG3 LYS 62 3HG LYS 62 -11.247 2.307 2.871 488 HD2 LYS 62 2HD LYS 62 -9.203 1.378 1.939 489 HD3 LYS 62 3HD LYS 62 -8.537 2.993 1.679 490 HE2 LYS 62 2HE LYS 62 -8.447 3.356 4.107 491 HE3 LYS 62 3HE LYS 62 -9.143 1.756 4.381 492 HZ1 LYS 62 3HZ LYS 62 -6.531 2.349 3.105 493 HZ2 LYS 62 1HZ LYS 62 -7.210 0.808 3.229 494 HZ3 LYS 62 2HZ LYS 62 -6.779 1.654 4.625 495 H LEU 63 H LEU 63 -10.705 2.430 -2.277 496 HA LEU 63 HA LEU 63 -13.276 3.355 -3.287 497 HB2 LEU 63 2HB LEU 63 -10.578 3.120 -4.695 498 HB3 LEU 63 3HB LEU 63 -11.970 4.040 -5.250 499 HG LEU 63 HG LEU 63 -10.346 4.661 -2.745 500 HD11 LEU 63 1HD1 LEU 63 -9.038 5.142 -4.733 501 HD12 LEU 63 2HD1 LEU 63 -9.523 6.638 -3.942 502 HD13 LEU 63 3HD1 LEU 63 -10.353 6.107 -5.408 503 HD21 LEU 63 3HD2 LEU 63 -12.655 6.195 -3.976 504 HD22 LEU 63 1HD2 LEU 63 -11.640 6.765 -2.647 505 HD23 LEU 63 2HD2 LEU 63 -12.651 5.337 -2.431 506 H LEU 64 H LEU 64 -11.940 0.353 -2.832 507 HA LEU 64 HA LEU 64 -12.376 -1.731 -3.522 508 HB2 LEU 64 2HB LEU 64 -14.698 -0.378 -4.907 509 HB3 LEU 64 3HB LEU 64 -14.416 -2.091 -5.132 510 HG LEU 64 HG LEU 64 -16.128 -1.799 -3.449 511 HD11 LEU 64 1HD1 LEU 64 -14.602 -3.683 -3.108 512 HD12 LEU 64 2HD1 LEU 64 -15.207 -3.062 -1.575 513 HD13 LEU 64 3HD1 LEU 64 -13.562 -2.679 -2.093 514 HD21 LEU 64 3HD2 LEU 64 -15.596 0.479 -2.701 515 HD22 LEU 64 1HD2 LEU 64 -14.175 -0.120 -1.845 516 HD23 LEU 64 2HD2 LEU 64 -15.793 -0.614 -1.332 517 H GLU 65 H GLU 65 -10.876 0.330 -5.345 518 HA GLU 65 HA GLU 65 -10.793 -1.064 -7.910 519 HB2 GLU 65 2HB GLU 65 -9.238 1.376 -6.909 520 HB3 GLU 65 3HB GLU 65 -9.310 0.804 -8.576 521 HG2 GLU 65 2HG GLU 65 -11.748 1.272 -8.616 522 HG3 GLU 65 3HG GLU 65 -11.645 1.883 -6.967 523 H PHE 66 H PHE 66 -10.028 -2.813 -6.000 524 HA PHE 66 HA PHE 66 -7.344 -2.947 -5.227 525 HB2 PHE 66 2HB PHE 66 -9.344 -5.176 -5.777 526 HB3 PHE 66 3HB PHE 66 -7.749 -5.465 -5.093 527 HD1 PHE 66 HD2 PHE 66 -11.068 -3.899 -4.437 528 HD2 PHE 66 HD1 PHE 66 -7.290 -5.015 -2.764 529 HE1 PHE 66 HE2 PHE 66 -11.954 -3.546 -2.168 530 HE2 PHE 66 HE1 PHE 66 -8.192 -4.664 -0.504 531 HZ PHE 66 HZ PHE 66 -10.522 -3.931 -0.203 532 H GLN 67 H GLN 67 -8.847 -3.646 -8.314 533 HA GLN 67 HA GLN 67 -6.867 -5.111 -9.639 534 HB2 GLN 67 2HB GLN 67 -8.615 -2.911 -10.824 535 HB3 GLN 67 3HB GLN 67 -7.793 -4.176 -11.731 536 HG2 GLN 67 2HG GLN 67 -10.048 -4.583 -9.749 537 HG3 GLN 67 3HG GLN 67 -10.182 -4.629 -11.506 538 HE21 GLN 67 1HE2 GLN 67 -8.984 -6.324 -8.682 539 HE22 GLN 67 2HE2 GLN 67 -8.757 -7.852 -9.455 540 H LEU 68 H LEU 68 -7.231 -1.623 -9.103 541 HA LEU 68 HA LEU 68 -4.907 -0.858 -10.603 542 HB2 LEU 68 2HB LEU 68 -6.421 0.728 -8.484 543 HB3 LEU 68 3HB LEU 68 -5.257 1.380 -9.626 544 HG LEU 68 HG LEU 68 -8.062 0.370 -10.196 545 HD11 LEU 68 1HD1 LEU 68 -8.414 2.630 -11.087 546 HD12 LEU 68 2HD1 LEU 68 -6.751 3.059 -10.672 547 HD13 LEU 68 3HD1 LEU 68 -7.906 2.663 -9.398 548 HD21 LEU 68 3HD2 LEU 68 -6.714 -0.541 -11.981 549 HD22 LEU 68 1HD2 LEU 68 -5.934 1.023 -12.258 550 HD23 LEU 68 2HD2 LEU 68 -7.654 0.813 -12.597 551 H ALA 69 H ALA 69 -5.666 -1.561 -7.219 552 HA ALA 69 HA ALA 69 -3.233 -0.735 -6.028 553 HB1 ALA 69 3HB ALA 69 -5.214 -2.819 -5.037 554 HB2 ALA 69 1HB ALA 69 -5.300 -1.082 -4.735 555 HB3 ALA 69 2HB ALA 69 -3.967 -2.027 -4.068 556 H LEU 70 H LEU 70 -4.149 -3.790 -7.583 557 HA LEU 70 HA LEU 70 -1.938 -5.384 -6.789 558 HB2 LEU 70 2HB LEU 70 -3.621 -5.519 -9.333 559 HB3 LEU 70 3HB LEU 70 -2.480 -6.759 -8.843 560 HG LEU 70 HG LEU 70 -4.971 -6.004 -7.262 561 HD11 LEU 70 1HD1 LEU 70 -5.963 -8.099 -8.054 562 HD12 LEU 70 2HD1 LEU 70 -4.554 -8.394 -9.078 563 HD13 LEU 70 3HD1 LEU 70 -5.605 -7.013 -9.398 564 HD21 LEU 70 3HD2 LEU 70 -3.212 -6.932 -5.838 565 HD22 LEU 70 1HD2 LEU 70 -3.077 -8.341 -6.895 566 HD23 LEU 70 2HD2 LEU 70 -4.563 -8.053 -5.983 567 H LYS 71 H LYS 71 -2.500 -3.676 -9.883 568 HA LYS 71 HA LYS 71 0.169 -4.014 -10.847 569 HB2 LYS 71 2HB LYS 71 -0.536 -2.525 -12.706 570 HB3 LYS 71 3HB LYS 71 -1.663 -3.845 -12.420 571 HG2 LYS 71 2HG LYS 71 -3.187 -2.295 -11.225 572 HG3 LYS 71 3HG LYS 71 -2.056 -0.970 -11.515 573 HD2 LYS 71 2HD LYS 71 -3.954 -0.956 -13.116 574 HD3 LYS 71 3HD LYS 71 -2.397 -1.143 -13.924 575 HE2 LYS 71 2HE LYS 71 -4.107 -2.624 -14.901 576 HE3 LYS 71 3HE LYS 71 -2.801 -3.558 -14.174 577 HZ1 LYS 71 3HZ LYS 71 -4.220 -3.913 -12.226 578 HZ2 LYS 71 1HZ LYS 71 -4.948 -4.500 -13.634 579 HZ3 LYS 71 2HZ LYS 71 -5.464 -3.042 -12.957 580 H ASP 72 H ASP 72 -1.332 -1.640 -8.841 581 HA ASP 72 HA ASP 72 0.466 0.516 -8.982 582 HB2 ASP 72 2HB ASP 72 -1.734 0.380 -7.678 583 HB3 ASP 72 3HB ASP 72 -0.887 -0.552 -6.457 584 H CYS 73 H CYS 73 0.430 -2.402 -6.950 585 HA CYS 73 HA CYS 73 2.935 -2.030 -5.704 586 HB2 CYS 73 2HB CYS 73 1.385 -4.603 -6.217 587 HB3 CYS 73 3HB CYS 73 2.714 -4.417 -5.069 588 HG CYS 73 HG CYS 73 0.077 -2.333 -4.704 589 H GLU 74 H GLU 74 1.939 -3.747 -8.670 590 HA GLU 74 HA GLU 74 4.444 -4.961 -9.202 591 HB2 GLU 74 2HB GLU 74 2.309 -4.267 -11.251 592 HB3 GLU 74 3HB GLU 74 3.594 -5.454 -11.438 593 HG2 GLU 74 2HG GLU 74 1.169 -5.602 -9.645 594 HG3 GLU 74 3HG GLU 74 1.601 -6.672 -10.972 595 H GLU 75 H GLU 75 3.329 -1.684 -9.963 596 HA GLU 75 HA GLU 75 5.589 -1.200 -11.756 597 HB2 GLU 75 2HB GLU 75 4.709 1.103 -11.976 598 HB3 GLU 75 3HB GLU 75 3.487 -0.113 -12.333 599 HG2 GLU 75 2HG GLU 75 2.470 0.230 -10.133 600 HG3 GLU 75 3HG GLU 75 3.714 1.407 -9.722 601 H CYS 76 H CYS 76 4.576 -0.161 -8.461 602 HA CYS 76 HA CYS 76 6.748 1.665 -8.120 603 HB2 CYS 76 2HB CYS 76 6.032 1.781 -5.741 604 HB3 CYS 76 3HB CYS 76 4.719 2.034 -6.882 605 HG CYS 76 HG CYS 76 3.169 0.377 -5.777 606 H ILE 77 H ILE 77 6.473 -1.778 -7.587 607 HA ILE 77 HA ILE 77 8.654 -2.221 -5.888 608 HB ILE 77 HB ILE 77 6.898 -3.918 -6.760 609 HG12 ILE 77 2HG1 ILE 77 8.901 -4.522 -5.268 610 HG13 ILE 77 3HG1 ILE 77 8.174 -5.838 -6.170 611 HG21 ILE 77 1HG2 ILE 77 7.248 -3.642 -9.158 612 HG22 ILE 77 2HG2 ILE 77 7.494 -5.323 -8.682 613 HG23 ILE 77 3HG2 ILE 77 8.886 -4.287 -9.018 614 HD11 ILE 77 3HD1 ILE 77 10.587 -6.012 -6.086 615 HD12 ILE 77 1HD1 ILE 77 10.756 -4.440 -6.862 616 HD13 ILE 77 2HD1 ILE 77 10.045 -5.792 -7.749 617 H GLN 78 H GLN 78 8.569 -1.329 -9.298 618 HA GLN 78 HA GLN 78 11.247 -2.051 -10.002 619 HB2 GLN 78 2HB GLN 78 9.369 0.014 -11.237 620 HB3 GLN 78 3HB GLN 78 10.874 -0.532 -11.969 621 HG2 GLN 78 2HG GLN 78 8.480 -2.309 -11.389 622 HG3 GLN 78 3HG GLN 78 8.868 -1.605 -12.958 623 HE21 GLN 78 1HE2 GLN 78 9.742 -4.046 -10.627 624 HE22 GLN 78 2HE2 GLN 78 10.835 -4.909 -11.646 625 H LEU 79 H LEU 79 9.808 0.777 -8.509 626 HA LEU 79 HA LEU 79 12.250 2.388 -8.653 627 HB2 LEU 79 2HB LEU 79 9.525 2.958 -7.433 628 HB3 LEU 79 3HB LEU 79 10.846 4.115 -7.510 629 HG LEU 79 HG LEU 79 9.394 2.943 -9.915 630 HD11 LEU 79 1HD1 LEU 79 7.977 4.471 -8.622 631 HD12 LEU 79 2HD1 LEU 79 8.411 5.169 -10.180 632 HD13 LEU 79 3HD1 LEU 79 9.219 5.723 -8.710 633 HD21 LEU 79 3HD2 LEU 79 11.560 5.071 -9.787 634 HD22 LEU 79 1HD2 LEU 79 10.645 4.626 -11.231 635 HD23 LEU 79 2HD2 LEU 79 11.715 3.451 -10.472 636 H GLU 80 H GLU 80 10.431 0.468 -6.347 637 HA GLU 80 HA GLU 80 12.592 0.578 -4.386 638 HB2 GLU 80 2HB GLU 80 11.146 2.454 -3.660 639 HB3 GLU 80 3HB GLU 80 9.742 1.394 -3.650 640 HG2 GLU 80 2HG GLU 80 10.505 1.770 -1.375 641 HG3 GLU 80 3HG GLU 80 10.764 0.079 -1.808 642 HA PRO 81 HA PRO 81 10.909 -3.686 -4.656 643 HB2 PRO 81 2HB PRO 81 13.087 -4.965 -3.593 644 HB3 PRO 81 3HB PRO 81 13.032 -4.386 -5.275 645 HG2 PRO 81 2HG PRO 81 14.275 -3.062 -2.871 646 HG3 PRO 81 3HG PRO 81 14.962 -3.303 -4.496 647 HD2 PRO 81 2HD PRO 81 13.864 -0.940 -3.757 648 HD3 PRO 81 3HD PRO 81 13.732 -1.546 -5.426 649 H THR 82 H THR 82 11.871 -1.859 -1.843 650 HA THR 82 HA THR 82 10.849 -3.951 -0.001 651 HB THR 82 HB THR 82 12.177 -2.847 1.786 652 HG1 THR 82 HG1 THR 82 13.406 -1.277 -0.231 653 HG21 THR 82 3HG2 THR 82 13.212 -4.705 0.501 654 HG22 THR 82 1HG2 THR 82 14.420 -3.527 1.022 655 HG23 THR 82 2HG2 THR 82 13.864 -3.537 -0.651 656 H PHE 83 H PHE 83 9.307 -1.675 -1.498 657 HA PHE 83 HA PHE 83 8.311 0.091 0.480 658 HB2 PHE 83 2HB PHE 83 6.541 0.675 -1.068 659 HB3 PHE 83 3HB PHE 83 8.010 0.442 -2.001 660 HD1 PHE 83 HD1 PHE 83 8.296 -1.989 -3.058 661 HD2 PHE 83 HD2 PHE 83 4.566 -0.351 -1.820 662 HE1 PHE 83 HE1 PHE 83 7.115 -3.572 -4.508 663 HE2 PHE 83 HE2 PHE 83 3.390 -1.943 -3.277 664 HZ PHE 83 HZ PHE 83 4.666 -3.556 -4.625 665 H ILE 84 H ILE 84 7.237 -0.444 2.282 666 HA ILE 84 HA ILE 84 6.611 -3.223 2.752 667 HB ILE 84 HB ILE 84 6.718 -0.766 4.521 668 HG12 ILE 84 2HG1 ILE 84 8.383 -3.312 4.342 669 HG13 ILE 84 3HG1 ILE 84 8.884 -1.688 3.887 670 HG21 ILE 84 1HG2 ILE 84 6.281 -2.174 6.504 671 HG22 ILE 84 2HG2 ILE 84 5.884 -3.525 5.443 672 HG23 ILE 84 3HG2 ILE 84 4.877 -2.076 5.436 673 HD11 ILE 84 3HD1 ILE 84 9.912 -2.304 5.946 674 HD12 ILE 84 1HD1 ILE 84 8.357 -2.706 6.673 675 HD13 ILE 84 2HD1 ILE 84 8.738 -1.029 6.266 676 H LYS 85 H LYS 85 4.695 -0.190 2.878 677 HA LYS 85 HA LYS 85 2.353 -1.472 3.887 678 HB2 LYS 85 2HB LYS 85 2.575 1.259 2.554 679 HB3 LYS 85 3HB LYS 85 1.226 0.697 3.538 680 HG2 LYS 85 2HG LYS 85 4.064 1.222 4.478 681 HG3 LYS 85 3HG LYS 85 2.630 2.185 4.848 682 HD2 LYS 85 2HD LYS 85 1.675 0.282 6.119 683 HD3 LYS 85 3HD LYS 85 3.086 -0.701 5.718 684 HE2 LYS 85 2HE LYS 85 4.528 0.858 6.978 685 HE3 LYS 85 3HE LYS 85 3.117 1.843 7.378 686 HZ1 LYS 85 3HZ LYS 85 2.183 -0.044 8.563 687 HZ2 LYS 85 1HZ LYS 85 3.702 0.352 9.181 688 HZ3 LYS 85 2HZ LYS 85 3.527 -0.992 8.170 689 H GLY 86 H GLY 86 3.519 -0.763 0.662 690 HA2 GLY 86 2HA GLY 86 1.115 -1.353 -0.763 691 HA3 GLY 86 3HA GLY 86 2.743 -1.303 -1.419 692 H TYR 87 H TYR 87 3.921 -3.314 0.280 693 HA TYR 87 HA TYR 87 3.148 -5.776 -0.863 694 HB2 TYR 87 2HB TYR 87 4.925 -4.969 1.430 695 HB3 TYR 87 3HB TYR 87 4.366 -6.634 1.433 696 HD1 TYR 87 HD1 TYR 87 5.732 -4.255 -1.157 697 HD2 TYR 87 HD2 TYR 87 5.936 -8.139 0.609 698 HE1 TYR 87 HE1 TYR 87 7.587 -4.838 -2.649 699 HE2 TYR 87 HE2 TYR 87 7.791 -8.721 -0.897 700 HH TYR 87 HH TYR 87 9.463 -6.386 -2.724 701 H THR 88 H THR 88 2.308 -4.313 2.297 702 HA THR 88 HA THR 88 0.758 -6.519 3.212 703 HB THR 88 HB THR 88 0.397 -3.666 4.224 704 HG1 THR 88 HG1 THR 88 2.585 -5.440 4.678 705 HG21 THR 88 3HG2 THR 88 0.121 -4.804 6.408 706 HG22 THR 88 1HG2 THR 88 0.379 -6.369 5.636 707 HG23 THR 88 2HG2 THR 88 -1.049 -5.409 5.235 708 H ARG 89 H ARG 89 0.007 -3.627 1.326 709 HA ARG 89 HA ARG 89 -2.847 -3.939 1.275 710 HB2 ARG 89 2HB ARG 89 -0.869 -2.097 0.025 711 HB3 ARG 89 3HB ARG 89 -2.257 -2.415 -0.994 712 HG2 ARG 89 2HG ARG 89 -2.628 -0.390 0.235 713 HG3 ARG 89 3HG ARG 89 -3.757 -1.612 0.813 714 HD2 ARG 89 2HD ARG 89 -1.166 -0.946 2.246 715 HD3 ARG 89 3HD ARG 89 -2.685 -0.113 2.572 716 HE ARG 89 HE ARG 89 -3.358 -2.713 2.882 717 HH11 ARG 89 1HH1 ARG 89 -0.753 -0.794 4.287 718 HH12 ARG 89 2HH1 ARG 89 -0.722 -1.716 5.754 719 HH21 ARG 89 1HH2 ARG 89 -3.299 -3.890 4.833 720 HH22 ARG 89 2HH2 ARG 89 -2.144 -3.448 6.062 721 H LYS 90 H LYS 90 -0.180 -5.115 -0.683 722 HA LYS 90 HA LYS 90 -1.664 -6.082 -2.913 723 HB2 LYS 90 2HB LYS 90 0.787 -5.672 -3.012 724 HB3 LYS 90 3HB LYS 90 1.062 -6.933 -1.814 725 HG2 LYS 90 2HG LYS 90 1.603 -7.802 -3.998 726 HG3 LYS 90 3HG LYS 90 0.147 -8.612 -3.413 727 HD2 LYS 90 2HD LYS 90 -1.211 -6.985 -4.805 728 HD3 LYS 90 3HD LYS 90 0.306 -6.387 -5.484 729 HE2 LYS 90 2HE LYS 90 -0.800 -9.203 -5.710 730 HE3 LYS 90 3HE LYS 90 -0.687 -8.009 -7.001 731 HZ1 LYS 90 3HZ LYS 90 1.583 -9.308 -5.601 732 HZ2 LYS 90 1HZ LYS 90 1.738 -8.095 -6.760 733 HZ3 LYS 90 2HZ LYS 90 1.082 -9.591 -7.190 734 H ALA 91 H ALA 91 -0.442 -7.533 0.059 735 HA ALA 91 HA ALA 91 -1.448 -10.160 -0.347 736 HB1 ALA 91 3HB ALA 91 -0.557 -8.762 2.201 737 HB2 ALA 91 1HB ALA 91 0.487 -9.640 1.081 738 HB3 ALA 91 2HB ALA 91 -0.757 -10.504 1.981 739 H ALA 92 H ALA 92 -2.700 -7.221 1.180 740 HA ALA 92 HA ALA 92 -5.057 -8.276 2.359 741 HB1 ALA 92 3HB ALA 92 -4.569 -5.474 1.281 742 HB2 ALA 92 1HB ALA 92 -4.147 -6.038 2.896 743 HB3 ALA 92 2HB ALA 92 -5.840 -5.951 2.413 744 H ALA 93 H ALA 93 -4.312 -6.968 -0.835 745 HA ALA 93 HA ALA 93 -6.901 -7.051 -1.958 746 HB1 ALA 93 3HB ALA 93 -5.753 -6.850 -4.123 747 HB2 ALA 93 1HB ALA 93 -4.202 -7.216 -3.349 748 HB3 ALA 93 2HB ALA 93 -5.073 -5.738 -2.937 749 H LEU 94 H LEU 94 -4.150 -9.321 -2.175 750 HA LEU 94 HA LEU 94 -5.359 -11.342 -3.666 751 HB2 LEU 94 2HB LEU 94 -3.118 -11.475 -1.619 752 HB3 LEU 94 3HB LEU 94 -3.604 -12.866 -2.579 753 HG LEU 94 HG LEU 94 -2.495 -10.269 -3.676 754 HD11 LEU 94 1HD1 LEU 94 -0.780 -11.572 -2.539 755 HD12 LEU 94 2HD1 LEU 94 -0.514 -11.568 -4.279 756 HD13 LEU 94 3HD1 LEU 94 -1.198 -12.997 -3.498 757 HD21 LEU 94 3HD2 LEU 94 -3.269 -12.779 -5.176 758 HD22 LEU 94 1HD2 LEU 94 -2.438 -11.381 -5.861 759 HD23 LEU 94 2HD2 LEU 94 -4.082 -11.213 -5.255 760 H GLU 95 H GLU 95 -5.253 -10.877 -0.144 761 HA GLU 95 HA GLU 95 -6.621 -13.149 0.722 762 HB2 GLU 95 2HB GLU 95 -5.531 -11.520 2.234 763 HB3 GLU 95 3HB GLU 95 -6.761 -10.321 1.846 764 HG2 GLU 95 2HG GLU 95 -8.468 -11.900 2.833 765 HG3 GLU 95 3HG GLU 95 -7.133 -12.921 3.361 766 H ALA 96 H ALA 96 -7.874 -10.119 -0.666 767 HA ALA 96 HA ALA 96 -10.675 -10.811 -0.309 768 HB1 ALA 96 3HB ALA 96 -11.113 -8.745 -1.582 769 HB2 ALA 96 1HB ALA 96 -9.387 -8.599 -1.955 770 HB3 ALA 96 2HB ALA 96 -9.948 -8.455 -0.291 771 H MET 97 H MET 97 -8.170 -11.488 -2.620 772 HA MET 97 HA MET 97 -10.031 -12.230 -4.796 773 HB2 MET 97 2HB MET 97 -6.969 -12.345 -4.726 774 HB3 MET 97 3HB MET 97 -7.984 -12.602 -6.139 775 HG2 MET 97 2HG MET 97 -7.600 -10.014 -4.637 776 HG3 MET 97 3HG MET 97 -6.986 -10.407 -6.241 777 HE1 MET 97 3HE MET 97 -8.022 -8.015 -6.980 778 HE2 MET 97 1HE MET 97 -8.736 -7.758 -5.387 779 HE3 MET 97 2HE MET 97 -9.734 -7.619 -6.837 780 H LYS 98 H LYS 98 -9.239 -13.623 -2.009 781 HA LYS 98 HA LYS 98 -9.347 -15.686 -1.106 782 HB2 LYS 98 2HB LYS 98 -10.108 -16.589 -3.914 783 HB3 LYS 98 3HB LYS 98 -10.240 -17.590 -2.475 784 HG2 LYS 98 2HG LYS 98 -11.750 -14.985 -2.889 785 HG3 LYS 98 3HG LYS 98 -12.413 -16.583 -3.228 786 HD2 LYS 98 2HD LYS 98 -11.521 -15.552 -0.507 787 HD3 LYS 98 3HD LYS 98 -13.188 -15.752 -1.050 788 HE2 LYS 98 2HE LYS 98 -11.159 -17.963 -0.577 789 HE3 LYS 98 3HE LYS 98 -12.598 -17.621 0.382 790 HZ1 LYS 98 3HZ LYS 98 -12.518 -18.611 -2.415 791 HZ2 LYS 98 1HZ LYS 98 -13.927 -18.115 -1.624 792 HZ3 LYS 98 2HZ LYS 98 -13.061 -19.441 -1.047 793 H ASP 99 H ASP 99 -6.895 -14.681 -2.675 794 HA ASP 99 HA ASP 99 -5.442 -17.110 -3.345 795 HB2 ASP 99 2HB ASP 99 -5.426 -14.744 -4.630 796 HB3 ASP 99 3HB ASP 99 -4.226 -14.336 -3.428 797 H TYR 100 H TYR 100 -6.041 -16.972 -0.604 798 HA TYR 100 HA TYR 100 -4.347 -15.776 1.182 799 HB2 TYR 100 2HB TYR 100 -5.352 -18.640 1.458 800 HB3 TYR 100 3HB TYR 100 -4.935 -17.536 2.770 801 HD1 TYR 100 HD1 TYR 100 -6.242 -15.083 2.309 802 HD2 TYR 100 HD2 TYR 100 -7.681 -18.987 1.334 803 HE1 TYR 100 HE1 TYR 100 -8.535 -14.250 2.320 804 HE2 TYR 100 HE2 TYR 100 -9.989 -18.139 1.362 805 HH TYR 100 HH TYR 100 -10.698 -14.772 1.465 806 H THR 101 H THR 101 -3.640 -18.570 -0.807 807 HA THR 101 HA THR 101 -1.350 -19.599 0.419 808 HB THR 101 HB THR 101 -0.822 -20.516 -1.890 809 HG1 THR 101 HG1 THR 101 -2.782 -20.093 -3.357 810 HG21 THR 101 3HG2 THR 101 -2.302 -21.779 -0.388 811 HG22 THR 101 1HG2 THR 101 -2.837 -21.939 -2.058 812 HG23 THR 101 2HG2 THR 101 -3.696 -20.857 -0.959 813 H LYS 102 H LYS 102 -1.691 -17.048 -2.098 814 HA LYS 102 HA LYS 102 1.218 -16.606 -2.131 815 HB2 LYS 102 2HB LYS 102 -0.975 -15.240 -3.753 816 HB3 LYS 102 3HB LYS 102 0.746 -14.925 -3.924 817 HG2 LYS 102 2HG LYS 102 -0.773 -17.435 -4.638 818 HG3 LYS 102 3HG LYS 102 0.093 -16.349 -5.718 819 HD2 LYS 102 2HD LYS 102 1.755 -17.924 -5.618 820 HD3 LYS 102 3HD LYS 102 2.169 -17.161 -4.085 821 HE2 LYS 102 2HE LYS 102 0.521 -18.883 -3.035 822 HE3 LYS 102 3HE LYS 102 0.633 -19.725 -4.577 823 HZ1 LYS 102 3HZ LYS 102 2.927 -19.071 -2.800 824 HZ2 LYS 102 1HZ LYS 102 3.018 -19.913 -4.263 825 HZ3 LYS 102 2HZ LYS 102 2.195 -20.590 -2.944 826 H ALA 103 H ALA 103 -1.699 -15.151 -0.882 827 HA ALA 103 HA ALA 103 -0.801 -12.568 -0.277 828 HB1 ALA 103 3HB ALA 103 -2.850 -14.214 1.251 829 HB2 ALA 103 1HB ALA 103 -3.180 -13.229 -0.177 830 HB3 ALA 103 2HB ALA 103 -2.653 -12.457 1.321 831 H MET 104 H MET 104 -0.814 -15.544 1.686 832 HA MET 104 HA MET 104 0.334 -14.507 4.024 833 HB2 MET 104 2HB MET 104 0.663 -16.780 4.735 834 HB3 MET 104 3HB MET 104 -0.845 -16.718 3.844 835 HG2 MET 104 2HG MET 104 0.237 -17.744 1.907 836 HG3 MET 104 3HG MET 104 1.786 -17.739 2.751 837 HE1 MET 104 3HE MET 104 -1.726 -18.538 4.425 838 HE2 MET 104 1HE MET 104 -1.812 -20.282 4.170 839 HE3 MET 104 2HE MET 104 -1.903 -19.188 2.791 840 H ASP 105 H ASP 105 1.818 -15.654 1.047 841 HA ASP 105 HA ASP 105 4.518 -15.741 1.913 842 HB2 ASP 105 2HB ASP 105 3.389 -15.220 -0.865 843 HB3 ASP 105 3HB ASP 105 5.098 -15.472 -0.529 844 H VAL 106 H VAL 106 2.426 -13.141 0.657 845 HA VAL 106 HA VAL 106 4.637 -11.289 0.287 846 HB VAL 106 HB VAL 106 1.633 -10.716 0.152 847 HG11 VAL 106 1HG1 VAL 106 2.981 -8.663 0.426 848 HG12 VAL 106 2HG1 VAL 106 2.268 -8.736 -1.185 849 HG13 VAL 106 3HG1 VAL 106 3.978 -9.120 -0.960 850 HG21 VAL 106 3HG2 VAL 106 2.295 -12.462 -1.474 851 HG22 VAL 106 1HG2 VAL 106 3.540 -11.396 -2.122 852 HG23 VAL 106 2HG2 VAL 106 1.835 -10.970 -2.293 853 H TYR 107 H TYR 107 2.148 -11.922 2.742 854 HA TYR 107 HA TYR 107 2.631 -9.744 4.478 855 HB2 TYR 107 2HB TYR 107 1.675 -12.583 5.064 856 HB3 TYR 107 3HB TYR 107 1.845 -11.377 6.331 857 HD1 TYR 107 HD1 TYR 107 0.594 -9.034 5.741 858 HD2 TYR 107 HD2 TYR 107 -0.499 -12.845 4.190 859 HE1 TYR 107 HE1 TYR 107 -1.689 -8.211 5.370 860 HE2 TYR 107 HE2 TYR 107 -2.773 -12.022 3.799 861 HH TYR 107 HH TYR 107 -4.291 -10.325 4.498 862 H GLN 108 H GLN 108 4.070 -12.984 4.288 863 HA GLN 108 HA GLN 108 5.872 -12.842 6.445 864 HB2 GLN 108 2HB GLN 108 5.073 -14.902 5.098 865 HB3 GLN 108 3HB GLN 108 6.272 -14.470 3.897 866 HG2 GLN 108 2HG GLN 108 7.018 -15.034 6.771 867 HG3 GLN 108 3HG GLN 108 6.869 -16.316 5.579 868 HE21 GLN 108 1HE2 GLN 108 8.752 -13.568 6.594 869 HE22 GLN 108 2HE2 GLN 108 10.133 -13.892 5.607 870 H LYS 109 H LYS 109 6.359 -12.244 2.950 871 HA LYS 109 HA LYS 109 9.091 -11.563 3.103 872 HB2 LYS 109 2HB LYS 109 7.005 -10.992 0.962 873 HB3 LYS 109 3HB LYS 109 8.708 -10.577 0.770 874 HG2 LYS 109 2HG LYS 109 7.536 -13.354 1.105 875 HG3 LYS 109 3HG LYS 109 8.251 -12.675 -0.357 876 HD2 LYS 109 2HD LYS 109 9.738 -13.255 2.240 877 HD3 LYS 109 3HD LYS 109 9.784 -14.245 0.785 878 HE2 LYS 109 2HE LYS 109 10.886 -12.464 -0.456 879 HE3 LYS 109 3HE LYS 109 10.706 -11.357 0.907 880 HZ1 LYS 109 3HZ LYS 109 12.382 -13.808 0.841 881 HZ2 LYS 109 1HZ LYS 109 12.151 -12.839 2.210 882 HZ3 LYS 109 2HZ LYS 109 12.926 -12.211 0.848 883 H ALA 110 H ALA 110 6.155 -9.630 3.362 884 HA ALA 110 HA ALA 110 7.390 -7.069 3.349 885 HB1 ALA 110 3HB ALA 110 5.278 -6.259 4.262 886 HB2 ALA 110 1HB ALA 110 4.786 -7.910 4.660 887 HB3 ALA 110 2HB ALA 110 4.972 -7.425 2.974 888 H LEU 111 H LEU 111 6.563 -9.341 5.999 889 HA LEU 111 HA LEU 111 7.604 -7.847 8.169 890 HB2 LEU 111 2HB LEU 111 7.404 -10.859 7.770 891 HB3 LEU 111 3HB LEU 111 7.866 -10.118 9.295 892 HG LEU 111 HG LEU 111 5.166 -9.736 7.929 893 HD11 LEU 111 1HD1 LEU 111 4.242 -11.160 9.685 894 HD12 LEU 111 2HD1 LEU 111 5.855 -11.424 10.354 895 HD13 LEU 111 3HD1 LEU 111 5.452 -12.036 8.746 896 HD21 LEU 111 3HD2 LEU 111 4.473 -8.694 10.051 897 HD22 LEU 111 1HD2 LEU 111 5.771 -7.791 9.272 898 HD23 LEU 111 2HD2 LEU 111 6.126 -8.821 10.662 899 H ASP 112 H ASP 112 9.097 -9.977 5.829 900 HA ASP 112 HA ASP 112 11.696 -10.198 6.982 901 HB2 ASP 112 2HB ASP 112 10.791 -11.880 5.428 902 HB3 ASP 112 3HB ASP 112 10.686 -10.693 4.137 903 H LEU 113 H LEU 113 10.159 -7.725 5.059 904 HA LEU 113 HA LEU 113 12.515 -6.384 4.135 905 HB2 LEU 113 2HB LEU 113 9.742 -5.214 4.652 906 HB3 LEU 113 3HB LEU 113 11.021 -4.443 3.726 907 HG LEU 113 HG LEU 113 9.551 -6.988 2.943 908 HD11 LEU 113 1HD1 LEU 113 8.104 -5.068 2.713 909 HD12 LEU 113 2HD1 LEU 113 8.576 -5.653 1.119 910 HD13 LEU 113 3HD1 LEU 113 9.333 -4.203 1.786 911 HD21 LEU 113 3HD2 LEU 113 10.730 -6.819 0.779 912 HD22 LEU 113 1HD2 LEU 113 11.836 -7.099 2.125 913 HD23 LEU 113 2HD2 LEU 113 11.698 -5.488 1.418 914 H ASP 114 H ASP 114 10.210 -5.451 6.742 915 HA ASP 114 HA ASP 114 12.225 -5.000 8.716 916 HB2 ASP 114 2HB ASP 114 12.741 -2.978 7.457 917 HB3 ASP 114 3HB ASP 114 11.045 -2.540 7.350 918 H SER 115 H SER 115 11.338 -4.263 10.755 919 HA SER 115 HA SER 115 8.909 -5.545 11.418 920 HB2 SER 115 2HB SER 115 9.348 -4.498 13.718 921 HB3 SER 115 3HB SER 115 10.657 -5.478 13.060 922 HG SER 115 HG SER 115 11.666 -3.679 13.689 923 H SER 116 H SER 116 9.379 -2.317 10.217 924 HA SER 116 HA SER 116 7.058 -1.062 11.236 925 HB2 SER 116 2HB SER 116 8.468 -0.729 8.561 926 HB3 SER 116 3HB SER 116 7.127 0.297 9.081 927 HG SER 116 HG SER 116 9.756 0.298 9.870 928 H CYS 117 H CYS 117 7.279 -3.852 9.353 929 HA CYS 117 HA CYS 117 4.591 -3.656 8.224 930 HB2 CYS 117 2HB CYS 117 6.494 -4.609 6.922 931 HB3 CYS 117 3HB CYS 117 6.615 -5.919 8.094 932 HG CYS 117 HG CYS 117 4.973 -7.418 6.909 933 H LYS 118 H LYS 118 5.419 -4.214 11.354 934 HA LYS 118 HA LYS 118 4.716 -6.754 12.123 935 HB2 LYS 118 2HB LYS 118 4.240 -4.118 13.514 936 HB3 LYS 118 3HB LYS 118 3.673 -5.602 14.268 937 HG2 LYS 118 2HG LYS 118 6.550 -4.978 13.519 938 HG3 LYS 118 3HG LYS 118 5.864 -4.916 15.140 939 HD2 LYS 118 2HD LYS 118 6.020 -7.441 13.444 940 HD3 LYS 118 3HD LYS 118 7.207 -6.993 14.668 941 HE2 LYS 118 2HE LYS 118 5.421 -7.058 16.398 942 HE3 LYS 118 3HE LYS 118 4.259 -7.557 15.162 943 HZ1 LYS 118 3HZ LYS 118 6.665 -9.066 16.035 944 HZ2 LYS 118 1HZ LYS 118 5.641 -9.537 14.774 945 HZ3 LYS 118 2HZ LYS 118 5.056 -9.471 16.356 946 H GLU 119 H GLU 119 2.389 -4.336 11.067 947 HA GLU 119 HA GLU 119 -0.037 -5.408 11.885 948 HB2 GLU 119 2HB GLU 119 -1.016 -4.190 9.939 949 HB3 GLU 119 3HB GLU 119 0.103 -3.208 10.881 950 HG2 GLU 119 2HG GLU 119 1.849 -3.482 9.197 951 HG3 GLU 119 3HG GLU 119 0.840 -4.599 8.279 952 H ALA 120 H ALA 120 1.983 -6.370 9.192 953 HA ALA 120 HA ALA 120 0.207 -8.077 7.806 954 HB1 ALA 120 3HB ALA 120 3.247 -8.057 7.834 955 HB2 ALA 120 1HB ALA 120 2.209 -7.088 6.784 956 HB3 ALA 120 2HB ALA 120 2.221 -8.846 6.630 957 H ALA 121 H ALA 121 2.108 -8.577 10.714 958 HA ALA 121 HA ALA 121 2.298 -11.423 10.626 959 HB1 ALA 121 3HB ALA 121 3.644 -10.056 12.179 960 HB2 ALA 121 1HB ALA 121 2.727 -11.288 13.047 961 HB3 ALA 121 2HB ALA 121 2.185 -9.606 13.064 962 H ASP 122 H ASP 122 -0.089 -9.200 12.032 963 HA ASP 122 HA ASP 122 -1.882 -11.159 13.056 964 HB2 ASP 122 2HB ASP 122 -1.771 -8.759 13.816 965 HB3 ASP 122 3HB ASP 122 -2.466 -8.262 12.279 966 H GLY 123 H GLY 123 -1.613 -9.454 9.965 967 HA2 GLY 123 2HA GLY 123 -4.034 -10.364 8.759 968 HA3 GLY 123 3HA GLY 123 -2.641 -9.699 7.922 969 H TYR 124 H TYR 124 -0.770 -11.686 8.930 970 HA TYR 124 HA TYR 124 -0.956 -13.735 7.015 971 HB2 TYR 124 2HB TYR 124 1.196 -13.099 7.946 972 HB3 TYR 124 3HB TYR 124 0.679 -13.507 9.577 973 HD1 TYR 124 HD1 TYR 124 0.360 -15.541 6.416 974 HD2 TYR 124 HD2 TYR 124 2.200 -15.197 10.255 975 HE1 TYR 124 HE1 TYR 124 1.326 -17.782 6.159 976 HE2 TYR 124 HE2 TYR 124 3.163 -17.440 9.992 977 HH TYR 124 HH TYR 124 2.695 -19.514 8.724 978 H GLN 125 H GLN 125 -1.361 -13.997 10.603 979 HA GLN 125 HA GLN 125 -2.345 -16.573 10.764 980 HB2 GLN 125 2HB GLN 125 -2.703 -14.137 12.493 981 HB3 GLN 125 3HB GLN 125 -3.693 -15.545 12.847 982 HG2 GLN 125 2HG GLN 125 -1.695 -15.477 14.251 983 HG3 GLN 125 3HG GLN 125 -1.701 -16.901 13.215 984 HE21 GLN 125 1HE2 GLN 125 -0.292 -13.748 13.683 985 HE22 GLN 125 2HE2 GLN 125 1.147 -14.033 12.784 986 H ARG 126 H ARG 126 -4.122 -13.651 9.871 987 HA ARG 126 HA ARG 126 -6.729 -14.816 10.015 988 HB2 ARG 126 2HB ARG 126 -6.291 -12.356 10.149 989 HB3 ARG 126 3HB ARG 126 -5.848 -12.360 8.446 990 HG2 ARG 126 2HG ARG 126 -8.142 -13.071 7.846 991 HG3 ARG 126 3HG ARG 126 -8.579 -13.105 9.558 992 HD2 ARG 126 2HD ARG 126 -9.387 -11.051 8.496 993 HD3 ARG 126 3HD ARG 126 -8.164 -10.677 9.715 994 HE ARG 126 HE ARG 126 -7.579 -10.802 6.816 995 HH11 ARG 126 1HH1 ARG 126 -7.217 -9.116 9.894 996 HH12 ARG 126 2HH1 ARG 126 -6.183 -7.892 9.226 997 HH21 ARG 126 1HH2 ARG 126 -6.238 -9.242 5.973 998 HH22 ARG 126 2HH2 ARG 126 -5.625 -7.967 6.983 999 H CYS 127 H CYS 127 -4.259 -14.619 7.457 1000 HA CYS 127 HA CYS 127 -6.099 -15.362 5.323 1001 HB2 CYS 127 2HB CYS 127 -3.089 -14.992 5.402 1002 HB3 CYS 127 3HB CYS 127 -3.922 -15.611 3.973 1003 HG CYS 127 HG CYS 127 -4.638 -12.604 5.419 1004 H MET 128 H MET 128 -3.405 -16.989 7.057 1005 HA MET 128 HA MET 128 -3.695 -19.507 5.850 1006 HB2 MET 128 2HB MET 128 -2.515 -20.460 7.806 1007 HB3 MET 128 3HB MET 128 -1.714 -19.032 7.181 1008 HG2 MET 128 2HG MET 128 -2.324 -17.727 9.038 1009 HG3 MET 128 3HG MET 128 -3.600 -18.840 9.523 1010 HE1 MET 128 3HE MET 128 -1.629 -21.808 11.078 1011 HE2 MET 128 1HE MET 128 -2.298 -21.672 9.453 1012 HE3 MET 128 2HE MET 128 -3.218 -21.080 10.837 1013 H MET 129 H MET 129 -5.418 -18.108 8.670 1014 HA MET 129 HA MET 129 -6.821 -20.557 9.253 1015 HB2 MET 129 2HB MET 129 -7.876 -19.458 11.030 1016 HB3 MET 129 3HB MET 129 -6.350 -18.600 10.916 1017 HG2 MET 129 2HG MET 129 -7.477 -16.759 9.734 1018 HG3 MET 129 3HG MET 129 -9.005 -17.635 9.826 1019 HE1 MET 129 3HE MET 129 -9.047 -14.731 10.784 1020 HE2 MET 129 1HE MET 129 -9.813 -14.866 12.366 1021 HE3 MET 129 2HE MET 129 -10.403 -15.844 11.017 1022 H ALA 130 H ALA 130 -7.430 -17.816 7.142 1023 HA ALA 130 HA ALA 130 -10.236 -17.938 6.902 1024 HB1 ALA 130 3HB ALA 130 -8.884 -16.043 6.088 1025 HB2 ALA 130 1HB ALA 130 -9.948 -16.660 4.823 1026 HB3 ALA 130 2HB ALA 130 -8.226 -17.056 4.803 1027 H GLN 131 H GLN 131 -7.706 -19.484 4.960 1028 HA GLN 131 HA GLN 131 -9.460 -21.013 3.291 1029 HB2 GLN 131 2HB GLN 131 -7.312 -22.290 2.720 1030 HB3 GLN 131 3HB GLN 131 -7.281 -20.562 2.408 1031 HG2 GLN 131 2HG GLN 131 -6.043 -20.213 4.522 1032 HG3 GLN 131 3HG GLN 131 -6.053 -21.952 4.791 1033 HE21 GLN 131 1HE2 GLN 131 -3.802 -22.034 4.835 1034 HE22 GLN 131 2HE2 GLN 131 -2.845 -21.865 3.410 1035 H TYR 132 H TYR 132 -8.434 -21.414 6.557 1036 HA TYR 132 HA TYR 132 -9.295 -24.264 6.604 1037 HB2 TYR 132 2HB TYR 132 -7.820 -22.711 8.793 1038 HB3 TYR 132 3HB TYR 132 -8.124 -24.444 8.760 1039 HD1 TYR 132 HD1 TYR 132 -7.287 -24.471 5.596 1040 HD2 TYR 132 HD2 TYR 132 -5.416 -23.197 9.226 1041 HE1 TYR 132 HE1 TYR 132 -5.092 -24.755 4.559 1042 HE2 TYR 132 HE2 TYR 132 -3.212 -23.492 8.183 1043 HH TYR 132 HH TYR 132 -2.184 -24.717 6.351 1044 H ASN 133 H ASN 133 -11.138 -22.034 6.351 1045 HA ASN 133 HA ASN 133 -12.871 -22.671 8.659 1046 HB2 ASN 133 2HB ASN 133 -12.293 -19.907 7.538 1047 HB3 ASN 133 3HB ASN 133 -13.900 -20.239 8.154 1048 HD21 ASN 133 1HD2 ASN 133 -10.755 -19.332 8.986 1049 HD22 ASN 133 2HD2 ASN 133 -10.934 -19.408 10.701 Start of MODEL 5 1 H1 MET 1 1H MET 1 11.262 7.408 12.661 2 H2 MET 1 2H MET 1 12.658 8.281 12.295 3 H3 MET 1 3H MET 1 12.387 6.784 11.566 4 HA MET 1 HA MET 1 11.944 8.582 10.040 5 HB2 MET 1 2HB MET 1 9.423 7.110 10.928 6 HB3 MET 1 3HB MET 1 9.627 7.908 9.372 7 HG2 MET 1 2HG MET 1 11.493 6.346 8.859 8 HG3 MET 1 3HG MET 1 11.174 5.511 10.382 9 HE1 MET 1 3HE MET 1 11.301 3.938 7.682 10 HE2 MET 1 1HE MET 1 9.835 2.960 7.697 11 HE3 MET 1 2HE MET 1 10.802 3.118 9.163 12 H GLY 2 H GLY 2 9.875 10.048 9.454 13 HA2 GLY 2 2HA GLY 2 8.724 11.998 9.903 14 HA3 GLY 2 3HA GLY 2 8.921 11.700 11.628 15 H HIS 3 H HIS 3 10.993 12.377 8.790 16 HA HIS 3 HA HIS 3 13.093 13.639 10.195 17 HB2 HIS 3 2HB HIS 3 13.269 12.612 7.882 18 HB3 HIS 3 3HB HIS 3 12.394 14.000 7.242 19 HD1 HIS 3 HD1 HIS 3 14.224 15.074 5.873 20 HD2 HIS 3 HD2 HIS 3 15.478 14.179 9.730 21 HE1 HIS 3 HE1 HIS 3 16.501 16.113 6.105 22 HE2 HIS 3 HE2 HIS 3 17.293 15.419 8.387 23 H HIS 4 H HIS 4 12.571 15.327 11.457 24 HA HIS 4 HA HIS 4 10.714 17.430 10.560 25 HB2 HIS 4 2HB HIS 4 10.524 18.044 12.940 26 HB3 HIS 4 3HB HIS 4 10.195 16.328 12.722 27 HD1 HIS 4 HD1 HIS 4 12.635 18.701 14.282 28 HD2 HIS 4 HD2 HIS 4 12.094 14.590 13.950 29 HE1 HIS 4 HE1 HIS 4 14.233 17.675 15.917 30 HE2 HIS 4 HE2 HIS 4 13.806 15.200 15.780 31 H HIS 5 H HIS 5 11.202 19.625 11.029 32 HA HIS 5 HA HIS 5 13.902 20.490 11.664 33 HB2 HIS 5 2HB HIS 5 13.804 19.985 9.115 34 HB3 HIS 5 3HB HIS 5 12.681 21.328 8.982 35 HD1 HIS 5 HD1 HIS 5 16.278 20.549 9.810 36 HD2 HIS 5 HD2 HIS 5 13.908 23.824 8.860 37 HE1 HIS 5 HE1 HIS 5 17.876 22.427 9.368 38 HE2 HIS 5 HE2 HIS 5 16.412 24.437 9.004 39 H HIS 6 H HIS 6 13.911 22.808 12.148 40 HA HIS 6 HA HIS 6 11.640 23.835 13.405 41 HB2 HIS 6 2HB HIS 6 14.106 25.279 12.353 42 HB3 HIS 6 3HB HIS 6 12.869 26.080 13.314 43 HD1 HIS 6 HD1 HIS 6 16.041 25.187 13.919 44 HD2 HIS 6 HD2 HIS 6 12.522 23.923 15.734 45 HE1 HIS 6 HE1 HIS 6 16.701 24.400 16.207 46 HE2 HIS 6 HE2 HIS 6 14.536 23.828 17.342 47 H HIS 7 H HIS 7 9.913 25.072 12.753 48 HA HIS 7 HA HIS 7 9.292 24.902 9.935 49 HB2 HIS 7 2HB HIS 7 7.660 24.269 11.721 50 HB3 HIS 7 3HB HIS 7 7.546 25.961 12.188 51 HD1 HIS 7 HD1 HIS 7 5.639 27.177 11.123 52 HD2 HIS 7 HD2 HIS 7 6.871 23.934 8.830 53 HE1 HIS 7 HE1 HIS 7 4.075 27.095 9.159 54 HE2 HIS 7 HE2 HIS 7 4.869 25.153 7.774 55 H HIS 8 H HIS 8 10.391 27.431 12.031 56 HA HIS 8 HA HIS 8 9.757 29.564 10.127 57 HB2 HIS 8 2HB HIS 8 11.249 29.638 12.778 58 HB3 HIS 8 3HB HIS 8 10.984 31.052 11.761 59 HD1 HIS 8 HD1 HIS 8 9.643 29.623 14.677 60 HD2 HIS 8 HD2 HIS 8 7.944 31.258 11.249 61 HE1 HIS 8 HE1 HIS 8 7.322 30.321 15.335 62 HE2 HIS 8 HE2 HIS 8 6.359 31.401 13.279 63 H SER 9 H SER 9 11.972 27.230 10.228 64 HA SER 9 HA SER 9 14.257 28.749 9.213 65 HB2 SER 9 2HB SER 9 14.723 26.879 10.736 66 HB3 SER 9 3HB SER 9 13.875 25.759 9.673 67 HG SER 9 HG SER 9 16.404 26.859 9.449 68 H HIS 10 H HIS 10 14.423 29.191 7.119 69 HA HIS 10 HA HIS 10 12.565 28.045 5.167 70 HB2 HIS 10 2HB HIS 10 14.538 30.371 5.007 71 HB3 HIS 10 3HB HIS 10 13.546 29.842 3.650 72 HD1 HIS 10 HD1 HIS 10 12.051 31.851 3.430 73 HD2 HIS 10 HD2 HIS 10 12.144 30.402 7.318 74 HE1 HIS 10 HE1 HIS 10 10.283 33.126 4.669 75 HE2 HIS 10 HE2 HIS 10 10.206 32.046 6.933 76 H MET 11 H MET 11 14.048 26.076 5.879 77 HA MET 11 HA MET 11 16.011 25.559 3.720 78 HB2 MET 11 2HB MET 11 15.885 24.309 6.516 79 HB3 MET 11 3HB MET 11 17.055 23.908 5.264 80 HG2 MET 11 2HG MET 11 17.983 26.175 5.394 81 HG3 MET 11 3HG MET 11 16.796 26.599 6.627 82 HE1 MET 11 3HE MET 11 20.029 26.928 7.035 83 HE2 MET 11 1HE MET 11 20.121 26.399 8.714 84 HE3 MET 11 2HE MET 11 18.789 27.429 8.188 85 H ASN 12 H ASN 12 13.573 24.139 5.889 86 HA ASN 12 HA ASN 12 12.226 22.382 5.881 87 HB2 ASN 12 2HB ASN 12 12.243 23.105 2.967 88 HB3 ASN 12 3HB ASN 12 11.430 21.616 3.436 89 HD21 ASN 12 1HD2 ASN 12 11.407 25.109 3.710 90 HD22 ASN 12 2HD2 ASN 12 9.792 25.240 4.305 91 HA PRO 13 HA PRO 13 14.725 18.644 5.423 92 HB2 PRO 13 2HB PRO 13 12.210 17.081 5.660 93 HB3 PRO 13 3HB PRO 13 13.604 17.112 6.749 94 HG2 PRO 13 2HG PRO 13 11.229 18.188 7.438 95 HG3 PRO 13 3HG PRO 13 12.777 18.861 7.996 96 HD2 PRO 13 2HD PRO 13 10.987 19.839 5.783 97 HD3 PRO 13 3HD PRO 13 11.887 20.773 7.004 98 H ASP 14 H ASP 14 11.556 18.877 3.776 99 HA ASP 14 HA ASP 14 12.499 18.779 1.154 100 HB2 ASP 14 2HB ASP 14 13.091 16.420 1.556 101 HB3 ASP 14 3HB ASP 14 11.472 16.078 2.166 102 H LEU 15 H LEU 15 10.961 19.971 0.170 103 HA LEU 15 HA LEU 15 8.341 20.395 1.057 104 HB2 LEU 15 2HB LEU 15 9.509 20.797 -1.718 105 HB3 LEU 15 3HB LEU 15 7.911 21.346 -1.239 106 HG LEU 15 HG LEU 15 9.184 22.687 0.622 107 HD11 LEU 15 1HD1 LEU 15 11.430 23.433 0.069 108 HD12 LEU 15 2HD1 LEU 15 11.486 22.285 -1.271 109 HD13 LEU 15 3HD1 LEU 15 11.369 21.703 0.390 110 HD21 LEU 15 3HD2 LEU 15 7.963 23.750 -1.225 111 HD22 LEU 15 1HD2 LEU 15 9.365 23.554 -2.283 112 HD23 LEU 15 2HD2 LEU 15 9.454 24.625 -0.881 113 H ALA 16 H ALA 16 9.610 18.093 -1.316 114 HA ALA 16 HA ALA 16 7.137 17.075 -2.244 115 HB1 ALA 16 3HB ALA 16 9.198 16.712 -3.499 116 HB2 ALA 16 1HB ALA 16 8.444 15.163 -3.110 117 HB3 ALA 16 2HB ALA 16 9.851 15.715 -2.197 118 H LEU 17 H LEU 17 8.810 16.623 0.792 119 HA LEU 17 HA LEU 17 7.273 14.259 1.524 120 HB2 LEU 17 2HB LEU 17 8.940 13.954 3.019 121 HB3 LEU 17 3HB LEU 17 9.728 15.367 2.368 122 HG LEU 17 HG LEU 17 8.303 16.684 4.157 123 HD11 LEU 17 1HD1 LEU 17 6.884 14.811 4.889 124 HD12 LEU 17 2HD1 LEU 17 7.853 15.420 6.227 125 HD13 LEU 17 3HD1 LEU 17 8.310 13.916 5.419 126 HD21 LEU 17 3HD2 LEU 17 10.658 14.970 4.984 127 HD22 LEU 17 1HD2 LEU 17 10.090 16.426 5.810 128 HD23 LEU 17 2HD2 LEU 17 10.737 16.538 4.175 129 H MET 18 H MET 18 7.001 17.741 1.715 130 HA MET 18 HA MET 18 5.074 17.766 3.887 131 HB2 MET 18 2HB MET 18 5.822 19.930 1.870 132 HB3 MET 18 3HB MET 18 4.796 20.172 3.284 133 HG2 MET 18 2HG MET 18 7.719 19.372 3.328 134 HG3 MET 18 3HG MET 18 7.059 20.966 3.712 135 HE1 MET 18 3HE MET 18 8.259 19.581 7.212 136 HE2 MET 18 1HE MET 18 8.446 20.868 6.021 137 HE3 MET 18 2HE MET 18 9.024 19.238 5.661 138 H VAL 19 H VAL 19 4.966 17.703 0.363 139 HA VAL 19 HA VAL 19 2.160 18.144 0.086 140 HB VAL 19 HB VAL 19 3.849 18.506 -1.748 141 HG11 VAL 19 1HG1 VAL 19 5.190 16.493 -1.466 142 HG12 VAL 19 2HG1 VAL 19 4.565 16.568 -3.107 143 HG13 VAL 19 3HG1 VAL 19 3.827 15.476 -1.940 144 HG21 VAL 19 3HG2 VAL 19 2.398 17.753 -3.601 145 HG22 VAL 19 1HG2 VAL 19 1.447 18.443 -2.282 146 HG23 VAL 19 2HG2 VAL 19 1.523 16.693 -2.493 147 H LYS 20 H LYS 20 4.131 15.244 0.658 148 HA LYS 20 HA LYS 20 1.914 13.416 0.238 149 HB2 LYS 20 2HB LYS 20 3.366 11.629 0.814 150 HB3 LYS 20 3HB LYS 20 4.353 12.761 -0.096 151 HG2 LYS 20 2HG LYS 20 5.289 13.607 2.054 152 HG3 LYS 20 3HG LYS 20 4.356 12.391 2.916 153 HD2 LYS 20 2HD LYS 20 6.710 11.704 2.633 154 HD3 LYS 20 3HD LYS 20 5.619 10.600 1.793 155 HE2 LYS 20 2HE LYS 20 6.158 11.688 -0.350 156 HE3 LYS 20 3HE LYS 20 7.201 12.844 0.483 157 HZ1 LYS 20 3HZ LYS 20 8.461 11.061 -0.513 158 HZ2 LYS 20 1HZ LYS 20 7.611 9.909 0.379 159 HZ3 LYS 20 2HZ LYS 20 8.609 11.021 1.166 160 H ASN 21 H ASN 21 3.197 15.311 2.894 161 HA ASN 21 HA ASN 21 1.958 13.931 5.057 162 HB2 ASN 21 2HB ASN 21 2.780 16.854 4.795 163 HB3 ASN 21 3HB ASN 21 2.113 16.183 6.279 164 HD21 ASN 21 1HD2 ASN 21 4.678 17.396 5.907 165 HD22 ASN 21 2HD2 ASN 21 5.859 16.211 6.330 166 H LYS 22 H LYS 22 0.888 16.701 3.042 167 HA LYS 22 HA LYS 22 -1.691 16.929 4.278 168 HB2 LYS 22 2HB LYS 22 -2.234 18.444 2.379 169 HB3 LYS 22 3HB LYS 22 -0.719 18.857 3.174 170 HG2 LYS 22 2HG LYS 22 0.460 17.583 1.315 171 HG3 LYS 22 3HG LYS 22 -1.094 17.522 0.483 172 HD2 LYS 22 2HD LYS 22 0.309 20.074 1.336 173 HD3 LYS 22 3HD LYS 22 0.437 19.360 -0.268 174 HE2 LYS 22 2HE LYS 22 -2.164 20.302 0.992 175 HE3 LYS 22 3HE LYS 22 -1.206 21.236 -0.158 176 HZ1 LYS 22 3HZ LYS 22 -2.451 18.599 -0.695 177 HZ2 LYS 22 1HZ LYS 22 -1.523 19.493 -1.790 178 HZ3 LYS 22 2HZ LYS 22 -3.005 20.094 -1.254 179 H GLY 23 H GLY 23 -0.452 15.147 1.469 180 HA2 GLY 23 2HA GLY 23 -2.839 14.105 0.417 181 HA3 GLY 23 3HA GLY 23 -1.284 13.293 0.377 182 H ASN 24 H ASN 24 -0.684 12.590 2.811 183 HA ASN 24 HA ASN 24 -2.225 10.409 3.606 184 HB2 ASN 24 2HB ASN 24 -0.157 12.001 5.202 185 HB3 ASN 24 3HB ASN 24 -0.842 10.471 5.748 186 HD21 ASN 24 1HD2 ASN 24 1.943 11.145 5.169 187 HD22 ASN 24 2HD2 ASN 24 2.457 10.009 3.975 188 H GLU 25 H GLU 25 -2.148 13.730 4.829 189 HA GLU 25 HA GLU 25 -3.763 13.353 7.104 190 HB2 GLU 25 2HB GLU 25 -2.726 15.360 7.434 191 HB3 GLU 25 3HB GLU 25 -2.522 15.661 5.714 192 HG2 GLU 25 2HG GLU 25 -4.791 16.553 5.590 193 HG3 GLU 25 3HG GLU 25 -5.068 16.170 7.286 194 H CYS 26 H CYS 26 -4.521 14.395 3.772 195 HA CYS 26 HA CYS 26 -7.186 15.138 4.106 196 HB2 CYS 26 2HB CYS 26 -5.746 13.958 1.705 197 HB3 CYS 26 3HB CYS 26 -7.398 14.576 1.633 198 HG CYS 26 HG CYS 26 -5.105 16.686 2.923 199 H PHE 27 H PHE 27 -5.874 11.962 3.148 200 HA PHE 27 HA PHE 27 -8.239 10.486 3.039 201 HB2 PHE 27 2HB PHE 27 -5.958 9.757 2.230 202 HB3 PHE 27 3HB PHE 27 -5.484 9.488 3.901 203 HD1 PHE 27 HD2 PHE 27 -7.899 8.376 1.263 204 HD2 PHE 27 HD1 PHE 27 -5.996 7.432 4.959 205 HE1 PHE 27 HE2 PHE 27 -8.790 6.080 1.143 206 HE2 PHE 27 HE1 PHE 27 -6.883 5.142 4.840 207 HZ PHE 27 HZ PHE 27 -8.280 4.465 2.935 208 H GLN 28 H GLN 28 -6.024 11.080 5.717 209 HA GLN 28 HA GLN 28 -7.325 9.657 7.777 210 HB2 GLN 28 2HB GLN 28 -4.953 10.294 7.880 211 HB3 GLN 28 3HB GLN 28 -5.371 11.998 7.835 212 HG2 GLN 28 2HG GLN 28 -4.710 11.398 10.075 213 HG3 GLN 28 3HG GLN 28 -6.430 11.795 10.066 214 HE21 GLN 28 1HE2 GLN 28 -5.043 8.684 9.008 215 HE22 GLN 28 2HE2 GLN 28 -5.731 7.756 10.291 216 H LYS 29 H LYS 29 -8.073 12.791 6.312 217 HA LYS 29 HA LYS 29 -9.550 13.813 8.606 218 HB2 LYS 29 2HB LYS 29 -9.701 14.792 5.716 219 HB3 LYS 29 3HB LYS 29 -10.328 15.621 7.136 220 HG2 LYS 29 2HG LYS 29 -7.445 15.207 6.361 221 HG3 LYS 29 3HG LYS 29 -8.324 16.731 6.459 222 HD2 LYS 29 2HD LYS 29 -7.587 14.935 8.800 223 HD3 LYS 29 3HD LYS 29 -6.749 16.423 8.352 224 HE2 LYS 29 2HE LYS 29 -8.857 17.684 8.809 225 HE3 LYS 29 3HE LYS 29 -9.622 16.174 9.309 226 HZ1 LYS 29 3HZ LYS 29 -7.332 17.530 10.610 227 HZ2 LYS 29 1HZ LYS 29 -7.856 15.974 11.012 228 HZ3 LYS 29 2HZ LYS 29 -8.880 17.295 11.245 229 H GLY 30 H GLY 30 -10.138 11.562 6.119 230 HA2 GLY 30 2HA GLY 30 -12.119 10.193 6.187 231 HA3 GLY 30 3HA GLY 30 -13.080 11.600 6.621 232 H ASP 31 H ASP 31 -11.033 12.790 4.402 233 HA ASP 31 HA ASP 31 -12.793 12.405 2.123 234 HB2 ASP 31 2HB ASP 31 -11.837 14.617 2.348 235 HB3 ASP 31 3HB ASP 31 -10.211 13.975 2.529 236 H TYR 32 H TYR 32 -12.660 10.246 1.617 237 HA TYR 32 HA TYR 32 -10.148 8.883 1.181 238 HB2 TYR 32 2HB TYR 32 -13.049 8.047 0.855 239 HB3 TYR 32 3HB TYR 32 -11.730 7.016 0.314 240 HD1 TYR 32 HD1 TYR 32 -11.917 9.098 3.461 241 HD2 TYR 32 HD2 TYR 32 -11.843 5.173 1.787 242 HE1 TYR 32 HE1 TYR 32 -11.746 8.143 5.716 243 HE2 TYR 32 HE2 TYR 32 -11.667 4.215 4.041 244 HH TYR 32 HH TYR 32 -12.333 5.912 6.823 245 HA PRO 33 HA PRO 33 -11.658 8.930 -3.486 246 HB2 PRO 33 2HB PRO 33 -13.200 11.061 -4.359 247 HB3 PRO 33 3HB PRO 33 -13.890 9.537 -3.761 248 HG2 PRO 33 2HG PRO 33 -13.508 12.127 -2.284 249 HG3 PRO 33 3HG PRO 33 -14.926 11.050 -2.314 250 HD2 PRO 33 2HD PRO 33 -13.185 11.000 -0.260 251 HD3 PRO 33 3HD PRO 33 -13.966 9.512 -0.835 252 H GLN 34 H GLN 34 -11.553 12.388 -2.402 253 HA GLN 34 HA GLN 34 -9.825 13.117 -4.584 254 HB2 GLN 34 2HB GLN 34 -10.474 14.830 -2.151 255 HB3 GLN 34 3HB GLN 34 -9.909 15.382 -3.725 256 HG2 GLN 34 2HG GLN 34 -12.612 14.129 -3.146 257 HG3 GLN 34 3HG GLN 34 -12.296 15.846 -3.386 258 HE21 GLN 34 1HE2 GLN 34 -12.376 12.717 -4.942 259 HE22 GLN 34 2HE2 GLN 34 -12.557 13.299 -6.553 260 H ALA 35 H ALA 35 -9.270 11.885 -1.378 261 HA ALA 35 HA ALA 35 -6.665 12.734 -0.839 262 HB1 ALA 35 3HB ALA 35 -7.835 9.970 -0.343 263 HB2 ALA 35 1HB ALA 35 -7.908 11.350 0.750 264 HB3 ALA 35 2HB ALA 35 -6.357 10.597 0.392 265 H MET 36 H MET 36 -7.858 10.333 -3.154 266 HA MET 36 HA MET 36 -5.404 9.187 -3.979 267 HB2 MET 36 2HB MET 36 -7.511 8.187 -4.627 268 HB3 MET 36 3HB MET 36 -8.051 9.670 -5.390 269 HG2 MET 36 2HG MET 36 -6.282 9.358 -7.135 270 HG3 MET 36 3HG MET 36 -5.894 7.803 -6.392 271 HE1 MET 36 3HE MET 36 -10.076 8.688 -8.172 272 HE2 MET 36 1HE MET 36 -8.798 9.901 -8.135 273 HE3 MET 36 2HE MET 36 -9.527 9.340 -6.629 274 H LYS 37 H LYS 37 -7.129 12.105 -4.985 275 HA LYS 37 HA LYS 37 -5.330 12.938 -7.062 276 HB2 LYS 37 2HB LYS 37 -7.395 14.560 -5.498 277 HB3 LYS 37 3HB LYS 37 -6.626 15.047 -7.015 278 HG2 LYS 37 2HG LYS 37 -7.715 13.133 -8.155 279 HG3 LYS 37 3HG LYS 37 -8.488 12.684 -6.626 280 HD2 LYS 37 2HD LYS 37 -9.698 14.834 -6.588 281 HD3 LYS 37 3HD LYS 37 -8.881 15.344 -8.067 282 HE2 LYS 37 2HE LYS 37 -9.985 13.497 -9.292 283 HE3 LYS 37 3HE LYS 37 -10.811 13.019 -7.808 284 HZ1 LYS 37 3HZ LYS 37 -11.128 15.619 -9.217 285 HZ2 LYS 37 1HZ LYS 37 -11.893 15.193 -7.774 286 HZ3 LYS 37 2HZ LYS 37 -12.247 14.352 -9.192 287 H HIS 38 H HIS 38 -5.660 13.580 -3.620 288 HA HIS 38 HA HIS 38 -3.672 15.647 -3.420 289 HB2 HIS 38 2HB HIS 38 -4.901 13.880 -1.258 290 HB3 HIS 38 3HB HIS 38 -3.821 15.232 -0.936 291 HD1 HIS 38 HD1 HIS 38 -4.913 17.534 -2.438 292 HD2 HIS 38 HD2 HIS 38 -7.427 14.709 -0.719 293 HE1 HIS 38 HE1 HIS 38 -7.144 18.667 -2.161 294 HE2 HIS 38 HE2 HIS 38 -8.636 16.931 -1.133 295 H TYR 39 H TYR 39 -3.580 12.178 -3.470 296 HA TYR 39 HA TYR 39 -0.768 12.005 -2.780 297 HB2 TYR 39 2HB TYR 39 -2.787 10.005 -3.842 298 HB3 TYR 39 3HB TYR 39 -1.077 9.612 -3.724 299 HD1 TYR 39 HD2 TYR 39 -0.222 10.720 -1.191 300 HD2 TYR 39 HD1 TYR 39 -3.918 8.789 -2.153 301 HE1 TYR 39 HE2 TYR 39 -0.476 10.023 1.145 302 HE2 TYR 39 HE1 TYR 39 -4.160 8.097 0.191 303 HH TYR 39 HH TYR 39 -2.688 7.669 2.124 304 H THR 40 H THR 40 -2.751 12.209 -5.727 305 HA THR 40 HA THR 40 -0.768 11.470 -7.592 306 HB THR 40 HB THR 40 -3.188 13.286 -7.968 307 HG1 THR 40 HG1 THR 40 -4.149 11.415 -7.767 308 HG21 THR 40 3HG2 THR 40 -1.601 13.665 -9.814 309 HG22 THR 40 1HG2 THR 40 -2.990 12.739 -10.392 310 HG23 THR 40 2HG2 THR 40 -1.456 11.924 -10.067 311 H GLU 41 H GLU 41 -1.657 14.696 -6.283 312 HA GLU 41 HA GLU 41 0.230 16.228 -7.729 313 HB2 GLU 41 2HB GLU 41 -0.118 17.979 -6.028 314 HB3 GLU 41 3HB GLU 41 -1.651 17.273 -6.533 315 HG2 GLU 41 2HG GLU 41 -1.779 15.967 -4.486 316 HG3 GLU 41 3HG GLU 41 -0.181 16.515 -3.994 317 H ALA 42 H ALA 42 0.492 14.304 -4.790 318 HA ALA 42 HA ALA 42 3.111 15.133 -4.021 319 HB1 ALA 42 3HB ALA 42 1.621 12.582 -3.317 320 HB2 ALA 42 1HB ALA 42 1.540 14.106 -2.430 321 HB3 ALA 42 2HB ALA 42 3.057 13.206 -2.502 322 H ILE 43 H ILE 43 1.845 12.538 -6.066 323 HA ILE 43 HA ILE 43 4.290 11.222 -6.658 324 HB ILE 43 HB ILE 43 1.479 11.151 -7.724 325 HG12 ILE 43 2HG1 ILE 43 1.861 8.644 -7.580 326 HG13 ILE 43 3HG1 ILE 43 3.490 8.976 -7.011 327 HG21 ILE 43 1HG2 ILE 43 2.606 11.414 -9.868 328 HG22 ILE 43 2HG2 ILE 43 1.996 9.767 -9.702 329 HG23 ILE 43 3HG2 ILE 43 3.715 10.097 -9.474 330 HD11 ILE 43 3HD1 ILE 43 1.999 8.392 -5.205 331 HD12 ILE 43 1HD1 ILE 43 0.928 9.728 -5.631 332 HD13 ILE 43 2HD1 ILE 43 2.557 10.057 -5.029 333 H LYS 44 H LYS 44 2.680 14.069 -7.970 334 HA LYS 44 HA LYS 44 4.353 14.376 -10.274 335 HB2 LYS 44 2HB LYS 44 2.614 16.418 -8.825 336 HB3 LYS 44 3HB LYS 44 3.408 16.706 -10.371 337 HG2 LYS 44 2HG LYS 44 1.239 14.655 -9.811 338 HG3 LYS 44 3HG LYS 44 1.054 16.154 -10.724 339 HD2 LYS 44 2HD LYS 44 2.592 15.291 -12.464 340 HD3 LYS 44 3HD LYS 44 2.829 13.808 -11.534 341 HE2 LYS 44 2HE LYS 44 1.257 13.381 -13.335 342 HE3 LYS 44 3HE LYS 44 0.396 13.298 -11.798 343 HZ1 LYS 44 3HZ LYS 44 -0.447 15.521 -12.191 344 HZ2 LYS 44 1HZ LYS 44 -0.851 14.509 -13.482 345 HZ3 LYS 44 2HZ LYS 44 0.403 15.629 -13.641 346 H ARG 45 H ARG 45 4.683 15.233 -6.909 347 HA ARG 45 HA ARG 45 7.022 16.934 -7.271 348 HB2 ARG 45 2HB ARG 45 5.750 15.761 -4.760 349 HB3 ARG 45 3HB ARG 45 7.077 16.921 -4.762 350 HG2 ARG 45 2HG ARG 45 4.365 17.499 -5.991 351 HG3 ARG 45 3HG ARG 45 4.767 17.869 -4.316 352 HD2 ARG 45 2HD ARG 45 6.538 19.389 -5.041 353 HD3 ARG 45 3HD ARG 45 6.222 18.982 -6.733 354 HE ARG 45 HE ARG 45 3.820 19.846 -5.580 355 HH11 ARG 45 1HH1 ARG 45 6.928 21.259 -6.474 356 HH12 ARG 45 2HH1 ARG 45 6.257 22.841 -6.715 357 HH21 ARG 45 1HH2 ARG 45 2.974 21.904 -5.874 358 HH22 ARG 45 2HH2 ARG 45 4.007 23.212 -6.375 359 H ASN 46 H ASN 46 6.311 13.596 -6.319 360 HA ASN 46 HA ASN 46 9.099 12.844 -6.770 361 HB2 ASN 46 2HB ASN 46 9.043 11.351 -4.664 362 HB3 ASN 46 3HB ASN 46 9.322 13.064 -4.450 363 HD21 ASN 46 1HD2 ASN 46 6.168 11.350 -4.791 364 HD22 ASN 46 2HD2 ASN 46 5.595 11.831 -3.253 365 HA PRO 47 HA PRO 47 6.402 9.675 -8.840 366 HB2 PRO 47 2HB PRO 47 7.815 9.594 -11.185 367 HB3 PRO 47 3HB PRO 47 6.591 10.844 -10.875 368 HG2 PRO 47 2HG PRO 47 9.586 11.044 -10.581 369 HG3 PRO 47 3HG PRO 47 8.454 12.175 -11.362 370 HD2 PRO 47 2HD PRO 47 9.365 12.577 -8.826 371 HD3 PRO 47 3HD PRO 47 7.733 13.077 -9.334 372 H LYS 48 H LYS 48 9.673 10.083 -7.967 373 HA LYS 48 HA LYS 48 10.634 7.417 -8.458 374 HB2 LYS 48 2HB LYS 48 11.840 9.661 -6.782 375 HB3 LYS 48 3HB LYS 48 12.684 8.256 -7.428 376 HG2 LYS 48 2HG LYS 48 11.454 10.482 -9.088 377 HG3 LYS 48 3HG LYS 48 13.169 10.324 -8.701 378 HD2 LYS 48 2HD LYS 48 11.516 8.371 -10.332 379 HD3 LYS 48 3HD LYS 48 12.678 9.535 -10.973 380 HE2 LYS 48 2HE LYS 48 13.304 7.173 -9.167 381 HE3 LYS 48 3HE LYS 48 13.663 7.308 -10.882 382 HZ1 LYS 48 3HZ LYS 48 14.846 8.920 -8.691 383 HZ2 LYS 48 1HZ LYS 48 15.111 9.216 -10.335 384 HZ3 LYS 48 2HZ LYS 48 15.626 7.765 -9.646 385 H ASP 49 H ASP 49 8.664 8.800 -6.068 386 HA ASP 49 HA ASP 49 9.688 7.297 -3.805 387 HB2 ASP 49 2HB ASP 49 8.571 9.614 -3.626 388 HB3 ASP 49 3HB ASP 49 7.040 8.803 -3.919 389 H ALA 50 H ALA 50 9.070 5.306 -3.277 390 HA ALA 50 HA ALA 50 7.337 3.794 -4.992 391 HB1 ALA 50 3HB ALA 50 9.420 2.857 -4.131 392 HB2 ALA 50 1HB ALA 50 8.037 1.873 -3.650 393 HB3 ALA 50 2HB ALA 50 8.806 2.951 -2.480 394 H LYS 51 H LYS 51 7.269 4.391 -1.418 395 HA LYS 51 HA LYS 51 4.901 2.838 -1.142 396 HB2 LYS 51 2HB LYS 51 5.138 2.919 1.133 397 HB3 LYS 51 3HB LYS 51 6.780 3.310 0.667 398 HG2 LYS 51 2HG LYS 51 4.687 5.341 1.508 399 HG3 LYS 51 3HG LYS 51 5.893 4.640 2.584 400 HD2 LYS 51 2HD LYS 51 6.444 6.384 0.160 401 HD3 LYS 51 3HD LYS 51 6.555 6.882 1.847 402 HE2 LYS 51 2HE LYS 51 8.418 5.347 2.217 403 HE3 LYS 51 3HE LYS 51 8.263 4.723 0.570 404 HZ1 LYS 51 3HZ LYS 51 8.826 6.895 -0.286 405 HZ2 LYS 51 1HZ LYS 51 10.037 6.356 0.762 406 HZ3 LYS 51 2HZ LYS 51 8.934 7.523 1.278 407 H LEU 52 H LEU 52 5.342 6.129 -1.942 408 HA LEU 52 HA LEU 52 2.870 7.207 -1.160 409 HB2 LEU 52 2HB LEU 52 5.083 7.973 -2.905 410 HB3 LEU 52 3HB LEU 52 3.571 8.421 -3.660 411 HG LEU 52 HG LEU 52 4.593 10.245 -2.264 412 HD11 LEU 52 1HD1 LEU 52 2.172 10.277 -2.720 413 HD12 LEU 52 2HD1 LEU 52 2.527 10.931 -1.125 414 HD13 LEU 52 3HD1 LEU 52 1.868 9.300 -1.277 415 HD21 LEU 52 3HD2 LEU 52 3.959 8.405 0.081 416 HD22 LEU 52 1HD2 LEU 52 4.511 10.077 0.189 417 HD23 LEU 52 2HD2 LEU 52 5.569 8.849 -0.491 418 H TYR 53 H TYR 53 3.716 5.308 -4.053 419 HA TYR 53 HA TYR 53 1.105 5.290 -5.220 420 HB2 TYR 53 2HB TYR 53 3.440 3.349 -5.515 421 HB3 TYR 53 3HB TYR 53 1.962 3.244 -6.469 422 HD1 TYR 53 HD1 TYR 53 1.384 5.110 -8.062 423 HD2 TYR 53 HD2 TYR 53 5.171 4.938 -6.114 424 HE1 TYR 53 HE1 TYR 53 2.297 6.710 -9.689 425 HE2 TYR 53 HE2 TYR 53 6.085 6.536 -7.736 426 HH TYR 53 HH TYR 53 4.144 8.342 -9.845 427 H SER 54 H SER 54 2.726 3.353 -2.786 428 HA SER 54 HA SER 54 0.753 1.305 -2.486 429 HB2 SER 54 2HB SER 54 2.803 2.293 -0.463 430 HB3 SER 54 3HB SER 54 2.030 0.708 -0.503 431 HG SER 54 HG SER 54 3.136 1.014 -2.859 432 H ASN 55 H ASN 55 1.167 4.528 -1.200 433 HA ASN 55 HA ASN 55 -0.880 4.419 0.825 434 HB2 ASN 55 2HB ASN 55 0.694 6.695 -0.447 435 HB3 ASN 55 3HB ASN 55 -0.604 6.997 0.702 436 HD21 ASN 55 1HD2 ASN 55 0.940 8.013 2.012 437 HD22 ASN 55 2HD2 ASN 55 2.028 7.108 2.997 438 H ARG 56 H ARG 56 -0.646 5.407 -2.582 439 HA ARG 56 HA ARG 56 -3.352 6.226 -2.898 440 HB2 ARG 56 2HB ARG 56 -1.569 4.938 -5.021 441 HB3 ARG 56 3HB ARG 56 -3.067 5.813 -5.314 442 HG2 ARG 56 2HG ARG 56 -1.843 7.831 -4.239 443 HG3 ARG 56 3HG ARG 56 -0.372 6.895 -4.500 444 HD2 ARG 56 2HD ARG 56 -2.328 7.909 -6.595 445 HD3 ARG 56 3HD ARG 56 -0.638 8.379 -6.380 446 HE ARG 56 HE ARG 56 -0.623 5.652 -6.845 447 HH11 ARG 56 1HH1 ARG 56 -1.620 8.499 -8.675 448 HH12 ARG 56 2HH1 ARG 56 -1.315 7.750 -10.205 449 HH21 ARG 56 1HH2 ARG 56 -0.318 4.678 -8.833 450 HH22 ARG 56 2HH2 ARG 56 -0.572 5.570 -10.302 451 H ALA 57 H ALA 57 -1.685 3.096 -3.054 452 HA ALA 57 HA ALA 57 -3.843 1.480 -3.911 453 HB1 ALA 57 3HB ALA 57 -1.484 0.764 -4.035 454 HB2 ALA 57 1HB ALA 57 -2.464 -0.416 -3.162 455 HB3 ALA 57 2HB ALA 57 -1.405 0.685 -2.273 456 H ALA 58 H ALA 58 -2.784 2.564 -0.728 457 HA ALA 58 HA ALA 58 -4.533 1.109 0.929 458 HB1 ALA 58 3HB ALA 58 -2.630 2.413 1.788 459 HB2 ALA 58 1HB ALA 58 -4.127 2.900 2.586 460 HB3 ALA 58 2HB ALA 58 -3.427 3.916 1.322 461 H CYS 59 H CYS 59 -4.969 4.041 -0.963 462 HA CYS 59 HA CYS 59 -7.639 4.630 -0.068 463 HB2 CYS 59 2HB CYS 59 -6.125 6.397 -0.906 464 HB3 CYS 59 3HB CYS 59 -6.083 5.636 -2.489 465 HG CYS 59 HG CYS 59 -8.138 7.880 -1.361 466 H TYR 60 H TYR 60 -6.198 2.996 -2.902 467 HA TYR 60 HA TYR 60 -8.498 2.889 -4.520 468 HB2 TYR 60 2HB TYR 60 -5.992 1.150 -4.558 469 HB3 TYR 60 3HB TYR 60 -7.248 1.064 -5.788 470 HD1 TYR 60 HD1 TYR 60 -7.877 4.025 -6.046 471 HD2 TYR 60 HD2 TYR 60 -4.153 1.934 -5.866 472 HE1 TYR 60 HE1 TYR 60 -6.790 5.827 -7.295 473 HE2 TYR 60 HE2 TYR 60 -3.081 3.751 -7.104 474 HH TYR 60 HH TYR 60 -3.591 5.568 -8.538 475 H THR 61 H THR 61 -7.209 0.566 -2.176 476 HA THR 61 HA THR 61 -8.966 -1.565 -2.541 477 HB THR 61 HB THR 61 -8.571 -2.003 -0.053 478 HG1 THR 61 HG1 THR 61 -6.626 -0.294 0.405 479 HG21 THR 61 3HG2 THR 61 -6.146 -2.432 -0.283 480 HG22 THR 61 1HG2 THR 61 -6.088 -1.390 -1.709 481 HG23 THR 61 2HG2 THR 61 -7.004 -2.898 -1.754 482 H LYS 62 H LYS 62 -9.388 1.482 -0.744 483 HA LYS 62 HA LYS 62 -11.880 0.845 0.535 484 HB2 LYS 62 2HB LYS 62 -10.756 3.620 -0.077 485 HB3 LYS 62 3HB LYS 62 -11.952 3.219 1.156 486 HG2 LYS 62 2HG LYS 62 -9.074 2.260 1.151 487 HG3 LYS 62 3HG LYS 62 -9.666 3.656 2.055 488 HD2 LYS 62 2HD LYS 62 -11.045 2.260 3.461 489 HD3 LYS 62 3HD LYS 62 -10.756 0.841 2.448 490 HE2 LYS 62 2HE LYS 62 -8.620 2.288 4.057 491 HE3 LYS 62 3HE LYS 62 -9.430 0.797 4.546 492 HZ1 LYS 62 3HZ LYS 62 -7.301 0.331 3.528 493 HZ2 LYS 62 1HZ LYS 62 -7.754 1.138 2.114 494 HZ3 LYS 62 2HZ LYS 62 -8.545 -0.285 2.569 495 H LEU 63 H LEU 63 -10.894 2.347 -2.443 496 HA LEU 63 HA LEU 63 -13.543 3.188 -3.270 497 HB2 LEU 63 2HB LEU 63 -10.899 3.187 -4.792 498 HB3 LEU 63 3HB LEU 63 -12.365 4.029 -5.275 499 HG LEU 63 HG LEU 63 -10.634 4.676 -2.852 500 HD11 LEU 63 1HD1 LEU 63 -9.583 5.379 -4.916 501 HD12 LEU 63 2HD1 LEU 63 -10.153 6.787 -4.024 502 HD13 LEU 63 3HD1 LEU 63 -11.055 6.212 -5.431 503 HD21 LEU 63 3HD2 LEU 63 -12.955 5.103 -2.279 504 HD22 LEU 63 1HD2 LEU 63 -13.194 6.033 -3.764 505 HD23 LEU 63 2HD2 LEU 63 -12.107 6.630 -2.507 506 H LEU 64 H LEU 64 -12.097 0.189 -3.130 507 HA LEU 64 HA LEU 64 -12.410 -1.824 -4.070 508 HB2 LEU 64 2HB LEU 64 -14.773 -0.456 -5.385 509 HB3 LEU 64 3HB LEU 64 -14.398 -2.132 -5.726 510 HG LEU 64 HG LEU 64 -16.183 -2.035 -4.087 511 HD11 LEU 64 1HD1 LEU 64 -13.652 -2.930 -2.691 512 HD12 LEU 64 2HD1 LEU 64 -14.583 -3.874 -3.856 513 HD13 LEU 64 3HD1 LEU 64 -15.305 -3.428 -2.312 514 HD21 LEU 64 3HD2 LEU 64 -15.965 -1.036 -1.863 515 HD22 LEU 64 1HD2 LEU 64 -15.780 0.179 -3.125 516 HD23 LEU 64 2HD2 LEU 64 -14.357 -0.426 -2.274 517 H GLU 65 H GLU 65 -11.002 0.530 -5.506 518 HA GLU 65 HA GLU 65 -10.569 -0.415 -8.196 519 HB2 GLU 65 2HB GLU 65 -9.979 2.020 -6.619 520 HB3 GLU 65 3HB GLU 65 -8.614 1.554 -7.615 521 HG2 GLU 65 2HG GLU 65 -10.077 3.203 -8.712 522 HG3 GLU 65 3HG GLU 65 -9.936 1.698 -9.622 523 H PHE 66 H PHE 66 -9.975 -2.486 -6.500 524 HA PHE 66 HA PHE 66 -7.363 -2.774 -5.557 525 HB2 PHE 66 2HB PHE 66 -9.342 -4.843 -6.591 526 HB3 PHE 66 3HB PHE 66 -7.797 -5.290 -5.880 527 HD1 PHE 66 HD2 PHE 66 -11.170 -3.932 -5.159 528 HD2 PHE 66 HD1 PHE 66 -7.412 -5.084 -3.470 529 HE1 PHE 66 HE2 PHE 66 -12.162 -3.929 -2.910 530 HE2 PHE 66 HE1 PHE 66 -8.423 -5.084 -1.227 531 HZ PHE 66 HZ PHE 66 -10.800 -4.504 -0.945 532 H GLN 67 H GLN 67 -8.617 -3.034 -8.839 533 HA GLN 67 HA GLN 67 -6.510 -4.349 -10.145 534 HB2 GLN 67 2HB GLN 67 -8.316 -2.132 -11.202 535 HB3 GLN 67 3HB GLN 67 -7.296 -3.156 -12.206 536 HG2 GLN 67 2HG GLN 67 -9.672 -4.036 -10.545 537 HG3 GLN 67 3HG GLN 67 -9.600 -3.902 -12.301 538 HE21 GLN 67 1HE2 GLN 67 -8.673 -5.808 -9.538 539 HE22 GLN 67 2HE2 GLN 67 -8.133 -7.190 -10.416 540 H LEU 68 H LEU 68 -6.925 -0.945 -9.219 541 HA LEU 68 HA LEU 68 -4.524 -0.060 -10.557 542 HB2 LEU 68 2HB LEU 68 -6.116 1.390 -8.403 543 HB3 LEU 68 3HB LEU 68 -4.909 2.096 -9.469 544 HG LEU 68 HG LEU 68 -7.726 1.193 -10.150 545 HD11 LEU 68 1HD1 LEU 68 -7.474 3.460 -9.289 546 HD12 LEU 68 2HD1 LEU 68 -7.982 3.476 -10.974 547 HD13 LEU 68 3HD1 LEU 68 -6.303 3.837 -10.558 548 HD21 LEU 68 3HD2 LEU 68 -6.357 0.280 -11.944 549 HD22 LEU 68 1HD2 LEU 68 -5.560 1.841 -12.181 550 HD23 LEU 68 2HD2 LEU 68 -7.282 1.658 -12.532 551 H ALA 69 H ALA 69 -5.497 -0.905 -7.253 552 HA ALA 69 HA ALA 69 -3.206 -0.230 -5.814 553 HB1 ALA 69 3HB ALA 69 -5.343 -0.853 -4.760 554 HB2 ALA 69 1HB ALA 69 -4.017 -1.822 -4.113 555 HB3 ALA 69 2HB ALA 69 -5.131 -2.524 -5.290 556 H LEU 70 H LEU 70 -3.911 -3.146 -7.707 557 HA LEU 70 HA LEU 70 -1.592 -4.650 -7.109 558 HB2 LEU 70 2HB LEU 70 -3.331 -4.611 -9.606 559 HB3 LEU 70 3HB LEU 70 -2.083 -5.810 -9.310 560 HG LEU 70 HG LEU 70 -4.567 -5.407 -7.603 561 HD11 LEU 70 1HD1 LEU 70 -3.956 -7.613 -9.593 562 HD12 LEU 70 2HD1 LEU 70 -5.147 -6.326 -9.791 563 HD13 LEU 70 3HD1 LEU 70 -5.366 -7.534 -8.529 564 HD21 LEU 70 3HD2 LEU 70 -3.922 -7.504 -6.476 565 HD22 LEU 70 1HD2 LEU 70 -2.702 -6.251 -6.260 566 HD23 LEU 70 2HD2 LEU 70 -2.427 -7.556 -7.416 567 H LYS 71 H LYS 71 -2.235 -2.607 -10.017 568 HA LYS 71 HA LYS 71 0.427 -2.883 -11.013 569 HB2 LYS 71 2HB LYS 71 -0.211 -1.103 -12.672 570 HB3 LYS 71 3HB LYS 71 -1.296 -2.487 -12.614 571 HG2 LYS 71 2HG LYS 71 -2.947 -1.187 -11.349 572 HG3 LYS 71 3HG LYS 71 -1.847 0.191 -11.292 573 HD2 LYS 71 2HD LYS 71 -3.586 0.508 -13.010 574 HD3 LYS 71 3HD LYS 71 -1.979 0.433 -13.738 575 HE2 LYS 71 2HE LYS 71 -3.623 -0.828 -15.065 576 HE3 LYS 71 3HE LYS 71 -2.397 -1.912 -14.407 577 HZ1 LYS 71 3HZ LYS 71 -5.117 -1.500 -13.275 578 HZ2 LYS 71 1HZ LYS 71 -3.947 -2.559 -12.668 579 HZ3 LYS 71 2HZ LYS 71 -4.627 -2.827 -14.191 580 H ASP 72 H ASP 72 -0.896 -0.699 -8.683 581 HA ASP 72 HA ASP 72 1.159 1.277 -8.691 582 HB2 ASP 72 2HB ASP 72 -0.996 0.453 -6.741 583 HB3 ASP 72 3HB ASP 72 0.328 1.427 -6.116 584 H CYS 73 H CYS 73 0.674 -1.712 -6.724 585 HA CYS 73 HA CYS 73 3.157 -1.482 -5.360 586 HB2 CYS 73 2HB CYS 73 2.806 -3.784 -4.596 587 HB3 CYS 73 3HB CYS 73 1.320 -2.853 -4.454 588 HG CYS 73 HG CYS 73 1.731 -4.705 -7.254 589 H GLU 74 H GLU 74 2.253 -2.878 -8.451 590 HA GLU 74 HA GLU 74 4.669 -4.351 -8.888 591 HB2 GLU 74 2HB GLU 74 2.576 -3.391 -10.871 592 HB3 GLU 74 3HB GLU 74 3.894 -4.490 -11.270 593 HG2 GLU 74 2HG GLU 74 1.518 -4.995 -9.471 594 HG3 GLU 74 3HG GLU 74 1.966 -5.840 -10.950 595 H GLU 75 H GLU 75 3.805 -0.976 -9.541 596 HA GLU 75 HA GLU 75 6.219 -0.602 -11.161 597 HB2 GLU 75 2HB GLU 75 5.495 1.703 -11.452 598 HB3 GLU 75 3HB GLU 75 4.182 0.591 -11.816 599 HG2 GLU 75 2HG GLU 75 3.172 1.075 -9.610 600 HG3 GLU 75 3HG GLU 75 4.476 2.213 -9.269 601 H CYS 76 H CYS 76 5.029 0.203 -7.915 602 HA CYS 76 HA CYS 76 7.111 2.008 -7.248 603 HB2 CYS 76 2HB CYS 76 6.231 1.883 -4.965 604 HB3 CYS 76 3HB CYS 76 4.942 2.080 -6.142 605 HG CYS 76 HG CYS 76 5.489 -1.112 -5.432 606 H ILE 77 H ILE 77 6.922 -1.495 -7.075 607 HA ILE 77 HA ILE 77 9.060 -2.014 -5.322 608 HB ILE 77 HB ILE 77 7.472 -3.752 -6.146 609 HG12 ILE 77 2HG1 ILE 77 9.824 -4.349 -5.198 610 HG13 ILE 77 3HG1 ILE 77 8.910 -5.612 -5.999 611 HG21 ILE 77 1HG2 ILE 77 8.974 -3.646 -8.776 612 HG22 ILE 77 2HG2 ILE 77 7.301 -3.165 -8.490 613 HG23 ILE 77 3HG2 ILE 77 7.768 -4.858 -8.327 614 HD11 ILE 77 3HD1 ILE 77 11.261 -5.714 -6.550 615 HD12 ILE 77 1HD1 ILE 77 11.217 -4.075 -7.191 616 HD13 ILE 77 2HD1 ILE 77 10.312 -5.362 -7.993 617 H GLN 78 H GLN 78 8.970 -1.001 -8.690 618 HA GLN 78 HA GLN 78 11.731 -1.595 -9.287 619 HB2 GLN 78 2HB GLN 78 9.724 0.118 -10.817 620 HB3 GLN 78 3HB GLN 78 11.265 -0.468 -11.438 621 HG2 GLN 78 2HG GLN 78 8.911 -2.205 -10.625 622 HG3 GLN 78 3HG GLN 78 9.371 -1.803 -12.279 623 HE21 GLN 78 1HE2 GLN 78 9.161 -4.416 -10.918 624 HE22 GLN 78 2HE2 GLN 78 10.699 -5.174 -11.121 625 H LEU 79 H LEU 79 10.018 1.063 -7.890 626 HA LEU 79 HA LEU 79 12.076 3.076 -8.279 627 HB2 LEU 79 2HB LEU 79 9.632 3.035 -6.460 628 HB3 LEU 79 3HB LEU 79 10.620 4.449 -6.808 629 HG LEU 79 HG LEU 79 8.978 2.944 -8.887 630 HD11 LEU 79 1HD1 LEU 79 8.353 5.548 -7.471 631 HD12 LEU 79 2HD1 LEU 79 7.518 4.004 -7.257 632 HD13 LEU 79 3HD1 LEU 79 7.435 4.840 -8.806 633 HD21 LEU 79 3HD2 LEU 79 10.465 5.592 -9.083 634 HD22 LEU 79 1HD2 LEU 79 9.423 4.896 -10.330 635 HD23 LEU 79 2HD2 LEU 79 10.913 4.077 -9.874 636 H GLU 80 H GLU 80 10.724 1.252 -5.524 637 HA GLU 80 HA GLU 80 13.297 1.119 -4.165 638 HB2 GLU 80 2HB GLU 80 12.433 3.285 -3.343 639 HB3 GLU 80 3HB GLU 80 10.910 2.540 -2.897 640 HG2 GLU 80 2HG GLU 80 12.260 2.923 -0.910 641 HG3 GLU 80 3HG GLU 80 12.055 1.189 -1.181 642 HA PRO 81 HA PRO 81 10.982 -2.832 -3.764 643 HB2 PRO 81 2HB PRO 81 13.141 -4.386 -3.027 644 HB3 PRO 81 3HB PRO 81 12.811 -3.912 -4.709 645 HG2 PRO 81 2HG PRO 81 14.701 -2.642 -2.738 646 HG3 PRO 81 3HG PRO 81 14.985 -3.078 -4.439 647 HD2 PRO 81 2HD PRO 81 14.413 -0.537 -3.735 648 HD3 PRO 81 3HD PRO 81 13.794 -1.228 -5.257 649 H THR 82 H THR 82 12.671 -1.059 -1.261 650 HA THR 82 HA THR 82 11.850 -2.898 0.871 651 HB THR 82 HB THR 82 12.989 -1.351 2.431 652 HG1 THR 82 HG1 THR 82 14.073 0.209 0.411 653 HG21 THR 82 3HG2 THR 82 14.344 -3.093 1.272 654 HG22 THR 82 1HG2 THR 82 15.296 -1.651 1.635 655 HG23 THR 82 2HG2 THR 82 14.717 -1.935 -0.007 656 H PHE 83 H PHE 83 9.986 -1.080 -0.879 657 HA PHE 83 HA PHE 83 8.551 0.580 0.909 658 HB2 PHE 83 2HB PHE 83 6.876 0.747 -0.819 659 HB3 PHE 83 3HB PHE 83 8.436 0.691 -1.623 660 HD1 PHE 83 HD1 PHE 83 9.182 -1.855 -2.306 661 HD2 PHE 83 HD2 PHE 83 5.179 -0.526 -1.747 662 HE1 PHE 83 HE1 PHE 83 8.376 -3.721 -3.669 663 HE2 PHE 83 HE2 PHE 83 4.374 -2.396 -3.136 664 HZ PHE 83 HZ PHE 83 5.967 -3.998 -4.093 665 H ILE 84 H ILE 84 7.474 -0.078 2.654 666 HA ILE 84 HA ILE 84 6.868 -2.885 3.127 667 HB ILE 84 HB ILE 84 6.882 -0.404 4.877 668 HG12 ILE 84 2HG1 ILE 84 8.423 -3.035 4.903 669 HG13 ILE 84 3HG1 ILE 84 9.049 -1.443 4.497 670 HG21 ILE 84 1HG2 ILE 84 5.803 -3.091 5.768 671 HG22 ILE 84 2HG2 ILE 84 4.885 -1.591 5.626 672 HG23 ILE 84 3HG2 ILE 84 6.161 -1.732 6.835 673 HD11 ILE 84 3HD1 ILE 84 9.825 -2.143 6.656 674 HD12 ILE 84 1HD1 ILE 84 8.173 -2.384 7.225 675 HD13 ILE 84 2HD1 ILE 84 8.749 -0.758 6.838 676 H LYS 85 H LYS 85 5.107 0.184 2.896 677 HA LYS 85 HA LYS 85 2.572 -0.712 3.677 678 HB2 LYS 85 2HB LYS 85 3.300 1.616 1.851 679 HB3 LYS 85 3HB LYS 85 1.721 1.388 2.604 680 HG2 LYS 85 2HG LYS 85 4.346 1.839 4.073 681 HG3 LYS 85 3HG LYS 85 3.079 3.045 3.820 682 HD2 LYS 85 2HD LYS 85 1.513 1.740 5.198 683 HD3 LYS 85 3HD LYS 85 2.705 0.449 5.382 684 HE2 LYS 85 2HE LYS 85 4.170 1.944 6.647 685 HE3 LYS 85 3HE LYS 85 3.055 3.292 6.396 686 HZ1 LYS 85 3HZ LYS 85 1.380 2.095 7.652 687 HZ2 LYS 85 1HZ LYS 85 2.784 2.294 8.579 688 HZ3 LYS 85 2HZ LYS 85 2.441 0.795 7.881 689 H GLY 86 H GLY 86 4.192 -0.948 0.578 690 HA2 GLY 86 2HA GLY 86 1.906 -1.423 -1.046 691 HA3 GLY 86 3HA GLY 86 3.566 -1.799 -1.438 692 H TYR 87 H TYR 87 4.215 -3.612 0.592 693 HA TYR 87 HA TYR 87 3.011 -6.012 -0.408 694 HB2 TYR 87 2HB TYR 87 5.007 -5.514 1.835 695 HB3 TYR 87 3HB TYR 87 4.424 -7.127 1.431 696 HD1 TYR 87 HD2 TYR 87 4.629 -7.755 -1.182 697 HD2 TYR 87 HD1 TYR 87 7.029 -4.830 0.797 698 HE1 TYR 87 HE2 TYR 87 6.337 -7.973 -2.935 699 HE2 TYR 87 HE1 TYR 87 8.741 -5.047 -0.954 700 HH TYR 87 HH TYR 87 8.162 -6.624 -3.909 701 H THR 88 H THR 88 2.318 -3.959 2.327 702 HA THR 88 HA THR 88 0.718 -5.933 3.729 703 HB THR 88 HB THR 88 0.161 -4.094 5.281 704 HG1 THR 88 HG1 THR 88 1.050 -2.014 4.886 705 HG21 THR 88 3HG2 THR 88 3.110 -4.111 4.527 706 HG22 THR 88 1HG2 THR 88 2.314 -5.281 5.585 707 HG23 THR 88 2HG2 THR 88 2.444 -3.590 6.075 708 H ARG 89 H ARG 89 0.144 -3.202 1.513 709 HA ARG 89 HA ARG 89 -2.735 -3.582 1.445 710 HB2 ARG 89 2HB ARG 89 -0.977 -1.985 -0.470 711 HB3 ARG 89 3HB ARG 89 -2.734 -1.917 -0.387 712 HG2 ARG 89 2HG ARG 89 -0.745 -0.921 1.671 713 HG3 ARG 89 3HG ARG 89 -1.864 0.041 0.706 714 HD2 ARG 89 2HD ARG 89 -3.759 -0.919 1.933 715 HD3 ARG 89 3HD ARG 89 -2.668 -1.953 2.862 716 HE ARG 89 HE ARG 89 -3.027 0.941 3.124 717 HH11 ARG 89 1HH1 ARG 89 -1.446 -1.959 4.317 718 HH12 ARG 89 2HH1 ARG 89 -0.920 -1.204 5.784 719 HH21 ARG 89 1HH2 ARG 89 -2.328 1.916 5.011 720 HH22 ARG 89 2HH2 ARG 89 -1.429 1.008 6.172 721 H LYS 90 H LYS 90 0.002 -4.997 -0.060 722 HA LYS 90 HA LYS 90 -1.190 -6.021 -2.446 723 HB2 LYS 90 2HB LYS 90 1.290 -5.819 -2.082 724 HB3 LYS 90 3HB LYS 90 1.202 -7.087 -0.871 725 HG2 LYS 90 2HG LYS 90 2.044 -8.040 -2.910 726 HG3 LYS 90 3HG LYS 90 0.407 -8.665 -2.660 727 HD2 LYS 90 2HD LYS 90 -0.488 -7.081 -4.297 728 HD3 LYS 90 3HD LYS 90 1.095 -6.318 -4.471 729 HE2 LYS 90 2HE LYS 90 1.986 -8.456 -5.376 730 HE3 LYS 90 3HE LYS 90 0.364 -9.150 -5.263 731 HZ1 LYS 90 3HZ LYS 90 0.832 -8.360 -7.481 732 HZ2 LYS 90 1HZ LYS 90 1.142 -6.801 -6.901 733 HZ3 LYS 90 2HZ LYS 90 -0.414 -7.451 -6.793 734 H ALA 91 H ALA 91 -0.410 -7.481 0.737 735 HA ALA 91 HA ALA 91 -1.688 -9.949 0.398 736 HB1 ALA 91 3HB ALA 91 -1.642 -10.112 2.853 737 HB2 ALA 91 1HB ALA 91 -1.301 -8.381 2.976 738 HB3 ALA 91 2HB ALA 91 -0.121 -9.465 2.236 739 H ALA 92 H ALA 92 -2.950 -6.808 1.388 740 HA ALA 92 HA ALA 92 -5.583 -7.586 2.111 741 HB1 ALA 92 3HB ALA 92 -6.095 -5.178 1.987 742 HB2 ALA 92 1HB ALA 92 -4.564 -4.885 1.153 743 HB3 ALA 92 2HB ALA 92 -4.566 -5.455 2.823 744 H ALA 93 H ALA 93 -4.134 -6.541 -0.968 745 HA ALA 93 HA ALA 93 -6.549 -6.411 -2.480 746 HB1 ALA 93 3HB ALA 93 -4.498 -5.249 -3.190 747 HB2 ALA 93 1HB ALA 93 -5.067 -6.345 -4.451 748 HB3 ALA 93 2HB ALA 93 -3.688 -6.798 -3.443 749 H LEU 94 H LEU 94 -3.973 -8.838 -2.266 750 HA LEU 94 HA LEU 94 -4.970 -10.869 -3.855 751 HB2 LEU 94 2HB LEU 94 -3.264 -11.078 -1.337 752 HB3 LEU 94 3HB LEU 94 -3.515 -12.403 -2.466 753 HG LEU 94 HG LEU 94 -2.118 -9.774 -3.105 754 HD11 LEU 94 1HD1 LEU 94 -0.750 -11.169 -1.661 755 HD12 LEU 94 2HD1 LEU 94 -0.070 -11.091 -3.285 756 HD13 LEU 94 3HD1 LEU 94 -0.938 -12.538 -2.762 757 HD21 LEU 94 3HD2 LEU 94 -1.521 -10.807 -5.251 758 HD22 LEU 94 1HD2 LEU 94 -3.262 -10.602 -5.076 759 HD23 LEU 94 2HD2 LEU 94 -2.538 -12.200 -4.869 760 H GLU 95 H GLU 95 -5.556 -10.189 -0.423 761 HA GLU 95 HA GLU 95 -7.077 -12.351 0.373 762 HB2 GLU 95 2HB GLU 95 -6.352 -10.552 1.881 763 HB3 GLU 95 3HB GLU 95 -7.443 -9.419 1.090 764 HG2 GLU 95 2HG GLU 95 -9.380 -10.780 1.886 765 HG3 GLU 95 3HG GLU 95 -8.257 -11.843 2.729 766 H ALA 96 H ALA 96 -8.126 -9.484 -1.484 767 HA ALA 96 HA ALA 96 -10.941 -10.179 -1.479 768 HB1 ALA 96 3HB ALA 96 -11.171 -8.272 -3.039 769 HB2 ALA 96 1HB ALA 96 -9.409 -8.161 -3.170 770 HB3 ALA 96 2HB ALA 96 -10.204 -7.829 -1.633 771 H MET 97 H MET 97 -8.145 -11.002 -3.356 772 HA MET 97 HA MET 97 -9.677 -11.995 -5.681 773 HB2 MET 97 2HB MET 97 -6.658 -11.940 -5.208 774 HB3 MET 97 3HB MET 97 -7.474 -12.293 -6.727 775 HG2 MET 97 2HG MET 97 -7.476 -9.630 -5.290 776 HG3 MET 97 3HG MET 97 -6.534 -10.041 -6.726 777 HE1 MET 97 3HE MET 97 -9.266 -7.501 -8.040 778 HE2 MET 97 1HE MET 97 -7.535 -7.819 -7.918 779 HE3 MET 97 2HE MET 97 -8.476 -7.477 -6.463 780 H LYS 98 H LYS 98 -8.920 -13.042 -2.676 781 HA LYS 98 HA LYS 98 -9.059 -14.963 -1.535 782 HB2 LYS 98 2HB LYS 98 -9.867 -16.235 -4.174 783 HB3 LYS 98 3HB LYS 98 -10.076 -16.970 -2.587 784 HG2 LYS 98 2HG LYS 98 -11.415 -14.392 -3.500 785 HG3 LYS 98 3HG LYS 98 -12.180 -15.981 -3.520 786 HD2 LYS 98 2HD LYS 98 -11.146 -14.599 -1.008 787 HD3 LYS 98 3HD LYS 98 -12.822 -14.548 -1.558 788 HE2 LYS 98 2HE LYS 98 -11.300 -17.061 -0.769 789 HE3 LYS 98 3HE LYS 98 -12.512 -16.234 0.211 790 HZ1 LYS 98 3HZ LYS 98 -13.486 -18.107 -0.902 791 HZ2 LYS 98 1HZ LYS 98 -12.974 -17.550 -2.410 792 HZ3 LYS 98 2HZ LYS 98 -14.143 -16.693 -1.545 793 H ASP 99 H ASP 99 -6.614 -14.163 -3.090 794 HA ASP 99 HA ASP 99 -5.088 -16.620 -3.434 795 HB2 ASP 99 2HB ASP 99 -4.454 -13.671 -3.886 796 HB3 ASP 99 3HB ASP 99 -3.240 -14.928 -4.068 797 H TYR 100 H TYR 100 -5.891 -16.449 -0.841 798 HA TYR 100 HA TYR 100 -4.222 -15.259 1.029 799 HB2 TYR 100 2HB TYR 100 -5.480 -18.024 1.284 800 HB3 TYR 100 3HB TYR 100 -5.046 -16.933 2.603 801 HD1 TYR 100 HD1 TYR 100 -6.103 -14.381 1.968 802 HD2 TYR 100 HD2 TYR 100 -7.833 -18.188 1.093 803 HE1 TYR 100 HE1 TYR 100 -8.308 -13.372 1.878 804 HE2 TYR 100 HE2 TYR 100 -10.061 -17.152 1.014 805 HH TYR 100 HH TYR 100 -10.488 -13.729 0.989 806 H THR 101 H THR 101 -3.780 -18.259 -0.777 807 HA THR 101 HA THR 101 -1.486 -19.273 0.495 808 HB THR 101 HB THR 101 -1.135 -20.548 -1.668 809 HG1 THR 101 HG1 THR 101 -2.728 -20.252 -3.301 810 HG21 THR 101 3HG2 THR 101 -3.220 -21.866 -1.555 811 HG22 THR 101 1HG2 THR 101 -3.991 -20.585 -0.613 812 HG23 THR 101 2HG2 THR 101 -2.632 -21.485 0.064 813 H LYS 102 H LYS 102 -1.896 -16.676 -1.825 814 HA LYS 102 HA LYS 102 0.959 -16.494 -2.471 815 HB2 LYS 102 2HB LYS 102 -1.319 -14.605 -3.220 816 HB3 LYS 102 3HB LYS 102 0.306 -14.579 -3.886 817 HG2 LYS 102 2HG LYS 102 -1.744 -16.784 -4.294 818 HG3 LYS 102 3HG LYS 102 -1.366 -15.508 -5.443 819 HD2 LYS 102 2HD LYS 102 -0.112 -17.233 -6.335 820 HD3 LYS 102 3HD LYS 102 1.101 -16.512 -5.279 821 HE2 LYS 102 2HE LYS 102 0.571 -18.243 -3.560 822 HE3 LYS 102 3HE LYS 102 -0.598 -18.960 -4.673 823 HZ1 LYS 102 3HZ LYS 102 1.188 -19.413 -6.212 824 HZ2 LYS 102 1HZ LYS 102 1.526 -20.107 -4.709 825 HZ3 LYS 102 2HZ LYS 102 2.316 -18.690 -5.180 826 H ALA 103 H ALA 103 -1.526 -14.838 -0.591 827 HA ALA 103 HA ALA 103 -0.136 -12.485 0.068 828 HB1 ALA 103 3HB ALA 103 -2.575 -12.664 0.181 829 HB2 ALA 103 1HB ALA 103 -1.917 -12.128 1.728 830 HB3 ALA 103 2HB ALA 103 -2.449 -13.801 1.525 831 H MET 104 H MET 104 -0.401 -15.599 1.723 832 HA MET 104 HA MET 104 0.927 -14.924 4.126 833 HB2 MET 104 2HB MET 104 1.130 -17.330 4.513 834 HB3 MET 104 3HB MET 104 -0.467 -16.933 3.903 835 HG2 MET 104 2HG MET 104 0.168 -17.743 1.676 836 HG3 MET 104 3HG MET 104 1.786 -18.120 2.271 837 HE1 MET 104 3HE MET 104 -1.504 -18.643 4.425 838 HE2 MET 104 1HE MET 104 -1.975 -20.264 3.917 839 HE3 MET 104 2HE MET 104 -2.076 -18.922 2.777 840 H ASP 105 H ASP 105 2.243 -15.606 0.956 841 HA ASP 105 HA ASP 105 4.990 -15.818 1.908 842 HB2 ASP 105 2HB ASP 105 3.839 -15.419 -0.886 843 HB3 ASP 105 3HB ASP 105 5.560 -15.611 -0.549 844 H VAL 106 H VAL 106 2.768 -13.301 0.958 845 HA VAL 106 HA VAL 106 4.781 -11.341 0.243 846 HB VAL 106 HB VAL 106 1.745 -11.139 0.561 847 HG11 VAL 106 1HG1 VAL 106 1.872 -8.956 -0.552 848 HG12 VAL 106 2HG1 VAL 106 3.634 -9.053 -0.575 849 HG13 VAL 106 3HG1 VAL 106 2.778 -8.932 0.962 850 HG21 VAL 106 3HG2 VAL 106 2.456 -12.559 -1.327 851 HG22 VAL 106 1HG2 VAL 106 3.482 -11.264 -1.941 852 HG23 VAL 106 2HG2 VAL 106 1.727 -11.068 -1.925 853 H TYR 107 H TYR 107 2.733 -12.059 3.059 854 HA TYR 107 HA TYR 107 3.302 -9.749 4.595 855 HB2 TYR 107 2HB TYR 107 1.933 -10.707 6.180 856 HB3 TYR 107 3HB TYR 107 1.612 -11.940 4.975 857 HD1 TYR 107 HD1 TYR 107 2.845 -14.142 5.121 858 HD2 TYR 107 HD2 TYR 107 3.119 -11.258 8.243 859 HE1 TYR 107 HE1 TYR 107 3.747 -15.863 6.617 860 HE2 TYR 107 HE2 TYR 107 4.017 -12.981 9.748 861 HH TYR 107 HH TYR 107 5.156 -15.966 8.691 862 H GLN 108 H GLN 108 4.928 -12.812 4.114 863 HA GLN 108 HA GLN 108 6.886 -12.672 6.147 864 HB2 GLN 108 2HB GLN 108 6.081 -14.715 4.761 865 HB3 GLN 108 3HB GLN 108 7.153 -14.155 3.490 866 HG2 GLN 108 2HG GLN 108 8.149 -14.802 6.274 867 HG3 GLN 108 3HG GLN 108 7.982 -16.034 5.031 868 HE21 GLN 108 1HE2 GLN 108 9.727 -13.164 5.988 869 HE22 GLN 108 2HE2 GLN 108 11.080 -13.394 4.941 870 H LYS 109 H LYS 109 6.913 -11.859 2.666 871 HA LYS 109 HA LYS 109 9.477 -10.741 2.521 872 HB2 LYS 109 2HB LYS 109 6.983 -10.292 0.837 873 HB3 LYS 109 3HB LYS 109 8.525 -9.532 0.450 874 HG2 LYS 109 2HG LYS 109 7.967 -12.513 0.566 875 HG3 LYS 109 3HG LYS 109 8.213 -11.544 -0.893 876 HD2 LYS 109 2HD LYS 109 10.291 -12.084 1.279 877 HD3 LYS 109 3HD LYS 109 10.239 -12.823 -0.317 878 HE2 LYS 109 2HE LYS 109 10.694 -10.673 -1.383 879 HE3 LYS 109 3HE LYS 109 10.583 -9.842 0.169 880 HZ1 LYS 109 3HZ LYS 109 12.619 -11.898 -0.490 881 HZ2 LYS 109 1HZ LYS 109 12.541 -10.970 0.922 882 HZ3 LYS 109 2HZ LYS 109 12.877 -10.229 -0.562 883 H ALA 110 H ALA 110 6.428 -9.315 3.521 884 HA ALA 110 HA ALA 110 7.252 -6.589 3.574 885 HB1 ALA 110 3HB ALA 110 4.885 -7.398 3.519 886 HB2 ALA 110 1HB ALA 110 5.188 -6.218 4.793 887 HB3 ALA 110 2HB ALA 110 5.061 -7.933 5.192 888 H LEU 111 H LEU 111 7.130 -9.127 6.114 889 HA LEU 111 HA LEU 111 8.299 -7.604 8.228 890 HB2 LEU 111 2HB LEU 111 8.286 -10.614 7.784 891 HB3 LEU 111 3HB LEU 111 8.752 -9.829 9.286 892 HG LEU 111 HG LEU 111 5.961 -9.773 8.065 893 HD11 LEU 111 1HD1 LEU 111 5.339 -11.276 9.888 894 HD12 LEU 111 2HD1 LEU 111 7.012 -11.317 10.455 895 HD13 LEU 111 3HD1 LEU 111 6.595 -11.996 8.876 896 HD21 LEU 111 3HD2 LEU 111 5.246 -8.779 10.203 897 HD22 LEU 111 1HD2 LEU 111 6.390 -7.736 9.360 898 HD23 LEU 111 2HD2 LEU 111 6.927 -8.698 10.740 899 H ASP 112 H ASP 112 9.593 -9.525 5.618 900 HA ASP 112 HA ASP 112 12.269 -9.883 6.406 901 HB2 ASP 112 2HB ASP 112 11.275 -11.196 4.601 902 HB3 ASP 112 3HB ASP 112 10.964 -9.756 3.649 903 H LEU 113 H LEU 113 10.585 -7.179 4.939 904 HA LEU 113 HA LEU 113 12.882 -5.559 4.372 905 HB2 LEU 113 2HB LEU 113 10.011 -4.670 4.885 906 HB3 LEU 113 3HB LEU 113 11.272 -3.725 4.102 907 HG LEU 113 HG LEU 113 9.977 -6.243 2.997 908 HD11 LEU 113 1HD1 LEU 113 9.728 -3.367 2.114 909 HD12 LEU 113 2HD1 LEU 113 8.482 -4.360 2.876 910 HD13 LEU 113 3HD1 LEU 113 9.066 -4.766 1.265 911 HD21 LEU 113 3HD2 LEU 113 12.149 -4.527 1.748 912 HD22 LEU 113 1HD2 LEU 113 11.272 -5.824 0.929 913 HD23 LEU 113 2HD2 LEU 113 12.310 -6.196 2.302 914 H ASP 114 H ASP 114 10.419 -5.439 7.014 915 HA ASP 114 HA ASP 114 12.396 -5.074 9.052 916 HB2 ASP 114 2HB ASP 114 12.215 -2.716 8.051 917 HB3 ASP 114 3HB ASP 114 10.557 -2.665 8.636 918 H SER 115 H SER 115 11.536 -5.295 11.148 919 HA SER 115 HA SER 115 9.306 -7.018 11.339 920 HB2 SER 115 2HB SER 115 9.767 -6.905 13.825 921 HB3 SER 115 3HB SER 115 11.182 -7.296 12.850 922 HG SER 115 HG SER 115 12.095 -5.487 13.427 923 H SER 116 H SER 116 9.619 -3.554 11.760 924 HA SER 116 HA SER 116 7.269 -2.960 13.205 925 HB2 SER 116 2HB SER 116 9.143 -1.349 12.808 926 HB3 SER 116 3HB SER 116 8.666 -1.233 11.117 927 HG SER 116 HG SER 116 6.507 -0.747 12.575 928 H CYS 117 H CYS 117 7.594 -4.266 10.104 929 HA CYS 117 HA CYS 117 5.041 -3.451 9.062 930 HB2 CYS 117 2HB CYS 117 7.007 -4.162 7.662 931 HB3 CYS 117 3HB CYS 117 6.744 -5.817 8.213 932 HG CYS 117 HG CYS 117 4.304 -6.132 7.044 933 H LYS 118 H LYS 118 5.452 -5.045 11.821 934 HA LYS 118 HA LYS 118 4.156 -7.390 12.030 935 HB2 LYS 118 2HB LYS 118 3.568 -4.905 13.684 936 HB3 LYS 118 3HB LYS 118 2.963 -6.495 14.117 937 HG2 LYS 118 2HG LYS 118 5.867 -5.649 13.973 938 HG3 LYS 118 3HG LYS 118 4.920 -5.938 15.433 939 HD2 LYS 118 2HD LYS 118 5.665 -8.040 13.355 940 HD3 LYS 118 3HD LYS 118 6.430 -7.830 14.931 941 HE2 LYS 118 2HE LYS 118 4.315 -8.402 16.053 942 HE3 LYS 118 3HE LYS 118 3.511 -8.568 14.488 943 HZ1 LYS 118 3HZ LYS 118 4.171 -10.710 15.382 944 HZ2 LYS 118 1HZ LYS 118 5.787 -10.216 15.443 945 HZ3 LYS 118 2HZ LYS 118 5.011 -10.381 13.954 946 H GLU 119 H GLU 119 2.482 -4.483 10.908 947 HA GLU 119 HA GLU 119 -0.188 -5.210 11.199 948 HB2 GLU 119 2HB GLU 119 -0.616 -3.641 9.283 949 HB3 GLU 119 3HB GLU 119 0.412 -2.962 10.545 950 HG2 GLU 119 2HG GLU 119 2.412 -3.396 9.176 951 HG3 GLU 119 3HG GLU 119 1.407 -4.108 7.915 952 H ALA 120 H ALA 120 2.125 -6.203 8.714 953 HA ALA 120 HA ALA 120 0.331 -7.705 7.077 954 HB1 ALA 120 3HB ALA 120 2.371 -8.660 6.084 955 HB2 ALA 120 1HB ALA 120 3.343 -7.988 7.398 956 HB3 ALA 120 2HB ALA 120 2.527 -6.913 6.262 957 H ALA 121 H ALA 121 2.134 -8.422 10.048 958 HA ALA 121 HA ALA 121 1.840 -11.294 9.941 959 HB1 ALA 121 3HB ALA 121 2.512 -9.503 12.305 960 HB2 ALA 121 1HB ALA 121 3.678 -10.239 11.201 961 HB3 ALA 121 2HB ALA 121 2.690 -11.258 12.250 962 H ASP 122 H ASP 122 0.174 -8.655 11.609 963 HA ASP 122 HA ASP 122 -1.936 -9.987 12.838 964 HB2 ASP 122 2HB ASP 122 -1.549 -7.647 13.300 965 HB3 ASP 122 3HB ASP 122 -1.678 -7.209 11.602 966 H GLY 123 H GLY 123 -1.620 -8.681 9.553 967 HA2 GLY 123 2HA GLY 123 -4.127 -9.466 8.516 968 HA3 GLY 123 3HA GLY 123 -2.699 -9.052 7.583 969 H TYR 124 H TYR 124 -1.073 -11.220 8.872 970 HA TYR 124 HA TYR 124 -1.569 -13.356 7.095 971 HB2 TYR 124 2HB TYR 124 0.664 -13.021 7.959 972 HB3 TYR 124 3HB TYR 124 0.123 -13.226 9.615 973 HD1 TYR 124 HD1 TYR 124 -0.294 -15.311 6.466 974 HD2 TYR 124 HD2 TYR 124 1.030 -15.187 10.532 975 HE1 TYR 124 HE1 TYR 124 0.306 -17.699 6.352 976 HE2 TYR 124 HE2 TYR 124 1.621 -17.561 10.409 977 HH TYR 124 HH TYR 124 1.118 -19.533 9.150 978 H GLN 125 H GLN 125 -2.093 -13.213 10.681 979 HA GLN 125 HA GLN 125 -3.275 -15.700 11.046 980 HB2 GLN 125 2HB GLN 125 -3.619 -13.056 12.472 981 HB3 GLN 125 3HB GLN 125 -4.674 -14.391 12.908 982 HG2 GLN 125 2HG GLN 125 -2.733 -14.194 14.414 983 HG3 GLN 125 3HG GLN 125 -2.790 -15.748 13.586 984 HE21 GLN 125 1HE2 GLN 125 -1.168 -12.659 13.739 985 HE22 GLN 125 2HE2 GLN 125 0.260 -13.150 12.915 986 H ARG 126 H ARG 126 -4.785 -12.714 9.942 987 HA ARG 126 HA ARG 126 -7.446 -13.645 9.655 988 HB2 ARG 126 2HB ARG 126 -6.952 -11.271 9.809 989 HB3 ARG 126 3HB ARG 126 -5.913 -11.344 8.393 990 HG2 ARG 126 2HG ARG 126 -7.831 -11.725 6.940 991 HG3 ARG 126 3HG ARG 126 -8.913 -11.809 8.335 992 HD2 ARG 126 2HD ARG 126 -8.536 -9.456 8.840 993 HD3 ARG 126 3HD ARG 126 -7.293 -9.341 7.588 994 HE ARG 126 HE ARG 126 -9.040 -9.765 5.940 995 HH11 ARG 126 1HH1 ARG 126 -10.146 -8.618 9.067 996 HH12 ARG 126 2HH1 ARG 126 -11.626 -7.977 8.429 997 HH21 ARG 126 1HH2 ARG 126 -10.945 -8.931 5.126 998 HH22 ARG 126 2HH2 ARG 126 -12.074 -8.157 6.182 999 H CYS 127 H CYS 127 -4.625 -13.701 7.498 1000 HA CYS 127 HA CYS 127 -6.062 -14.166 5.045 1001 HB2 CYS 127 2HB CYS 127 -3.934 -13.002 4.974 1002 HB3 CYS 127 3HB CYS 127 -3.112 -14.325 5.794 1003 HG CYS 127 HG CYS 127 -3.517 -16.096 3.601 1004 H MET 128 H MET 128 -3.984 -16.207 7.111 1005 HA MET 128 HA MET 128 -4.264 -18.590 5.633 1006 HB2 MET 128 2HB MET 128 -3.355 -19.735 7.675 1007 HB3 MET 128 3HB MET 128 -2.379 -18.386 7.116 1008 HG2 MET 128 2HG MET 128 -3.130 -16.995 8.922 1009 HG3 MET 128 3HG MET 128 -4.340 -18.177 9.414 1010 HE1 MET 128 3HE MET 128 -2.898 -20.949 9.362 1011 HE2 MET 128 1HE MET 128 -3.863 -20.339 10.710 1012 HE3 MET 128 2HE MET 128 -2.255 -21.002 11.004 1013 H MET 129 H MET 129 -6.072 -17.350 8.496 1014 HA MET 129 HA MET 129 -7.640 -19.704 8.849 1015 HB2 MET 129 2HB MET 129 -8.903 -18.543 10.480 1016 HB3 MET 129 3HB MET 129 -7.284 -17.876 10.610 1017 HG2 MET 129 2HG MET 129 -7.961 -15.841 9.501 1018 HG3 MET 129 3HG MET 129 -9.535 -16.521 9.093 1019 HE1 MET 129 3HE MET 129 -11.330 -16.646 12.563 1020 HE2 MET 129 1HE MET 129 -10.451 -17.971 11.798 1021 HE3 MET 129 2HE MET 129 -11.484 -16.919 10.828 1022 H ALA 130 H ALA 130 -7.924 -16.985 6.698 1023 HA ALA 130 HA ALA 130 -10.712 -16.945 6.248 1024 HB1 ALA 130 3HB ALA 130 -10.181 -15.576 4.280 1025 HB2 ALA 130 1HB ALA 130 -8.481 -16.047 4.400 1026 HB3 ALA 130 2HB ALA 130 -9.222 -15.077 5.674 1027 H GLN 131 H GLN 131 -8.134 -18.861 4.788 1028 HA GLN 131 HA GLN 131 -10.009 -20.220 2.965 1029 HB2 GLN 131 2HB GLN 131 -7.895 -21.510 2.268 1030 HB3 GLN 131 3HB GLN 131 -7.936 -19.799 1.882 1031 HG2 GLN 131 2HG GLN 131 -6.473 -19.305 3.775 1032 HG3 GLN 131 3HG GLN 131 -6.479 -21.007 4.238 1033 HE21 GLN 131 1HE2 GLN 131 -4.232 -21.151 4.034 1034 HE22 GLN 131 2HE2 GLN 131 -3.445 -21.171 2.497 1035 H TYR 132 H TYR 132 -8.858 -20.564 6.142 1036 HA TYR 132 HA TYR 132 -9.383 -23.475 6.227 1037 HB2 TYR 132 2HB TYR 132 -8.053 -21.698 8.331 1038 HB3 TYR 132 3HB TYR 132 -8.245 -23.444 8.442 1039 HD1 TYR 132 HD1 TYR 132 -7.485 -23.456 5.189 1040 HD2 TYR 132 HD2 TYR 132 -5.595 -22.214 8.820 1041 HE1 TYR 132 HE1 TYR 132 -5.309 -23.688 4.121 1042 HE2 TYR 132 HE2 TYR 132 -3.395 -22.467 7.751 1043 HH TYR 132 HH TYR 132 -2.416 -23.785 5.815 1044 H ASN 133 H ASN 133 -11.559 -21.874 5.816 1045 HA ASN 133 HA ASN 133 -13.048 -21.885 8.378 1046 HB2 ASN 133 2HB ASN 133 -13.647 -20.473 5.739 1047 HB3 ASN 133 3HB ASN 133 -14.743 -20.487 7.118 1048 HD21 ASN 133 1HD2 ASN 133 -12.613 -20.214 9.122 1049 HD22 ASN 133 2HD2 ASN 133 -12.040 -18.593 8.982 Start of MODEL 6 1 H1 MET 1 1H MET 1 -4.672 41.400 5.420 2 H2 MET 1 2H MET 1 -4.237 39.808 5.763 3 H3 MET 1 3H MET 1 -5.450 40.124 4.635 4 HA MET 1 HA MET 1 -3.879 41.182 3.170 5 HB2 MET 1 2HB MET 1 -1.834 40.371 5.293 6 HB3 MET 1 3HB MET 1 -1.420 40.968 3.688 7 HG2 MET 1 2HG MET 1 -1.198 42.752 5.305 8 HG3 MET 1 3HG MET 1 -2.535 43.109 4.208 9 HE1 MET 1 3HE MET 1 -3.552 44.979 5.839 10 HE2 MET 1 1HE MET 1 -2.157 44.714 6.884 11 HE3 MET 1 2HE MET 1 -3.781 44.713 7.569 12 H GLY 2 H GLY 2 -3.447 39.854 1.458 13 HA2 GLY 2 2HA GLY 2 -2.852 37.991 0.239 14 HA3 GLY 2 3HA GLY 2 -2.383 37.174 1.721 15 H HIS 3 H HIS 3 -3.984 36.090 2.952 16 HA HIS 3 HA HIS 3 -5.314 34.263 2.954 17 HB2 HIS 3 2HB HIS 3 -7.731 34.797 3.072 18 HB3 HIS 3 3HB HIS 3 -6.739 35.906 3.997 19 HD1 HIS 3 HD1 HIS 3 -8.841 35.770 0.866 20 HD2 HIS 3 HD2 HIS 3 -6.998 38.592 3.290 21 HE1 HIS 3 HE1 HIS 3 -9.752 37.987 0.135 22 HE2 HIS 3 HE2 HIS 3 -8.805 39.626 1.764 23 H HIS 4 H HIS 4 -4.212 33.465 1.056 24 HA HIS 4 HA HIS 4 -6.035 32.717 -1.110 25 HB2 HIS 4 2HB HIS 4 -4.982 34.786 -1.948 26 HB3 HIS 4 3HB HIS 4 -3.377 34.162 -1.583 27 HD1 HIS 4 HD1 HIS 4 -2.282 32.708 -3.340 28 HD2 HIS 4 HD2 HIS 4 -6.273 33.498 -4.188 29 HE1 HIS 4 HE1 HIS 4 -2.647 31.869 -5.678 30 HE2 HIS 4 HE2 HIS 4 -5.111 32.179 -6.079 31 H HIS 5 H HIS 5 -2.592 32.651 -0.235 32 HA HIS 5 HA HIS 5 -2.525 29.822 0.236 33 HB2 HIS 5 2HB HIS 5 -2.416 29.746 -2.220 34 HB3 HIS 5 3HB HIS 5 -1.153 30.968 -2.242 35 HD1 HIS 5 HD1 HIS 5 -1.681 27.367 -1.209 36 HD2 HIS 5 HD2 HIS 5 1.429 29.987 -2.043 37 HE1 HIS 5 HE1 HIS 5 0.386 25.956 -1.287 38 HE2 HIS 5 HE2 HIS 5 2.266 27.593 -1.553 39 H HIS 6 H HIS 6 -1.051 29.600 1.878 40 HA HIS 6 HA HIS 6 0.690 31.711 2.647 41 HB2 HIS 6 2HB HIS 6 1.627 30.059 4.319 42 HB3 HIS 6 3HB HIS 6 -0.109 30.294 4.406 43 HD1 HIS 6 HD1 HIS 6 -1.612 28.254 3.748 44 HD2 HIS 6 HD2 HIS 6 2.475 27.467 3.736 45 HE1 HIS 6 HE1 HIS 6 -1.398 25.746 3.766 46 HE2 HIS 6 HE2 HIS 6 1.068 25.302 3.679 47 H HIS 7 H HIS 7 2.004 32.277 1.020 48 HA HIS 7 HA HIS 7 3.379 30.411 -0.668 49 HB2 HIS 7 2HB HIS 7 4.376 32.468 -1.721 50 HB3 HIS 7 3HB HIS 7 2.620 32.435 -1.693 51 HD1 HIS 7 HD1 HIS 7 1.491 34.451 -0.759 52 HD2 HIS 7 HD2 HIS 7 5.512 34.327 0.261 53 HE1 HIS 7 HE1 HIS 7 1.987 36.673 0.294 54 HE2 HIS 7 HE2 HIS 7 4.395 36.535 0.987 55 H HIS 8 H HIS 8 5.394 29.704 -0.608 56 HA HIS 8 HA HIS 8 7.438 30.844 1.160 57 HB2 HIS 8 2HB HIS 8 6.425 27.973 1.346 58 HB3 HIS 8 3HB HIS 8 8.001 28.453 1.960 59 HD1 HIS 8 HD1 HIS 8 7.973 30.166 3.991 60 HD2 HIS 8 HD2 HIS 8 4.287 28.510 3.039 61 HE1 HIS 8 HE1 HIS 8 6.494 30.662 5.947 62 HE2 HIS 8 HE2 HIS 8 4.227 29.861 5.237 63 H SER 9 H SER 9 9.526 30.366 0.515 64 HA SER 9 HA SER 9 9.892 29.523 -2.260 65 HB2 SER 9 2HB SER 9 10.967 31.617 -1.347 66 HB3 SER 9 3HB SER 9 11.913 30.617 -0.247 67 HG SER 9 HG SER 9 12.042 30.764 -3.069 68 H HIS 10 H HIS 10 12.391 28.409 -2.276 69 HA HIS 10 HA HIS 10 12.053 25.781 -1.097 70 HB2 HIS 10 2HB HIS 10 13.034 26.302 -3.446 71 HB3 HIS 10 3HB HIS 10 14.513 26.772 -2.615 72 HD1 HIS 10 HD1 HIS 10 12.693 23.858 -3.897 73 HD2 HIS 10 HD2 HIS 10 15.778 24.537 -1.199 74 HE1 HIS 10 HE1 HIS 10 13.798 21.633 -3.561 75 HE2 HIS 10 HE2 HIS 10 15.725 22.105 -2.038 76 H MET 11 H MET 11 11.999 27.132 1.023 77 HA MET 11 HA MET 11 14.652 27.343 2.298 78 HB2 MET 11 2HB MET 11 11.885 28.261 3.219 79 HB3 MET 11 3HB MET 11 13.381 28.495 4.121 80 HG2 MET 11 2HG MET 11 12.813 29.676 1.390 81 HG3 MET 11 3HG MET 11 12.642 30.524 2.925 82 HE1 MET 11 3HE MET 11 15.843 32.248 1.509 83 HE2 MET 11 1HE MET 11 14.268 32.504 2.259 84 HE3 MET 11 2HE MET 11 14.373 31.798 0.644 85 H ASN 12 H ASN 12 11.658 25.565 2.234 86 HA ASN 12 HA ASN 12 11.989 23.964 4.550 87 HB2 ASN 12 2HB ASN 12 10.543 23.205 1.957 88 HB3 ASN 12 3HB ASN 12 10.337 22.452 3.540 89 HD21 ASN 12 1HD2 ASN 12 8.187 22.918 3.816 90 HD22 ASN 12 2HD2 ASN 12 7.546 24.514 3.949 91 HA PRO 13 HA PRO 13 15.442 21.379 3.312 92 HB2 PRO 13 2HB PRO 13 14.790 18.970 4.546 93 HB3 PRO 13 3HB PRO 13 15.443 20.374 5.414 94 HG2 PRO 13 2HG PRO 13 12.577 19.515 5.115 95 HG3 PRO 13 3HG PRO 13 13.444 20.047 6.577 96 HD2 PRO 13 2HD PRO 13 11.839 21.741 5.266 97 HD3 PRO 13 3HD PRO 13 13.380 22.315 5.949 98 H ASP 14 H ASP 14 12.171 20.242 2.766 99 HA ASP 14 HA ASP 14 12.657 19.554 0.057 100 HB2 ASP 14 2HB ASP 14 13.566 17.483 1.048 101 HB3 ASP 14 3HB ASP 14 12.101 17.257 1.994 102 H LEU 15 H LEU 15 10.968 20.773 -0.538 103 HA LEU 15 HA LEU 15 8.481 21.011 0.759 104 HB2 LEU 15 2HB LEU 15 9.190 21.556 -2.149 105 HB3 LEU 15 3HB LEU 15 7.683 22.025 -1.378 106 HG LEU 15 HG LEU 15 9.227 23.353 0.293 107 HD11 LEU 15 1HD1 LEU 15 11.305 24.225 -0.664 108 HD12 LEU 15 2HD1 LEU 15 11.158 23.090 -2.009 109 HD13 LEU 15 3HD1 LEU 15 11.366 22.491 -0.361 110 HD21 LEU 15 3HD2 LEU 15 8.819 24.350 -2.547 111 HD22 LEU 15 1HD2 LEU 15 9.142 25.362 -1.133 112 HD23 LEU 15 2HD2 LEU 15 7.645 24.438 -1.230 113 H ALA 16 H ALA 16 9.709 18.646 -1.478 114 HA ALA 16 HA ALA 16 7.328 17.432 -2.368 115 HB1 ALA 16 3HB ALA 16 9.529 16.921 -3.335 116 HB2 ALA 16 1HB ALA 16 8.699 15.449 -2.825 117 HB3 ALA 16 2HB ALA 16 10.011 16.114 -1.846 118 H LEU 17 H LEU 17 8.971 17.268 0.774 119 HA LEU 17 HA LEU 17 7.374 15.005 1.654 120 HB2 LEU 17 2HB LEU 17 8.691 14.893 3.526 121 HB3 LEU 17 3HB LEU 17 9.791 15.682 2.424 122 HG LEU 17 HG LEU 17 8.860 17.918 3.618 123 HD11 LEU 17 1HD1 LEU 17 8.434 17.596 6.021 124 HD12 LEU 17 2HD1 LEU 17 8.470 15.844 5.800 125 HD13 LEU 17 3HD1 LEU 17 7.205 16.803 5.035 126 HD21 LEU 17 3HD2 LEU 17 10.775 17.859 5.171 127 HD22 LEU 17 1HD2 LEU 17 11.224 17.263 3.573 128 HD23 LEU 17 2HD2 LEU 17 10.960 16.124 4.895 129 H MET 18 H MET 18 6.927 18.385 1.413 130 HA MET 18 HA MET 18 4.966 18.630 3.564 131 HB2 MET 18 2HB MET 18 5.729 20.593 1.347 132 HB3 MET 18 3HB MET 18 4.698 20.962 2.729 133 HG2 MET 18 2HG MET 18 7.624 20.199 2.844 134 HG3 MET 18 3HG MET 18 6.951 21.815 3.085 135 HE1 MET 18 3HE MET 18 8.499 21.737 5.403 136 HE2 MET 18 1HE MET 18 8.918 20.052 5.087 137 HE3 MET 18 2HE MET 18 8.248 20.514 6.650 138 H VAL 19 H VAL 19 4.999 18.301 0.076 139 HA VAL 19 HA VAL 19 2.227 18.847 -0.385 140 HB VAL 19 HB VAL 19 4.039 19.191 -2.082 141 HG11 VAL 19 1HG1 VAL 19 4.072 16.165 -2.249 142 HG12 VAL 19 2HG1 VAL 19 5.376 17.212 -1.692 143 HG13 VAL 19 3HG1 VAL 19 4.873 17.257 -3.375 144 HG21 VAL 19 3HG2 VAL 19 2.765 18.453 -4.047 145 HG22 VAL 19 1HG2 VAL 19 1.682 19.082 -2.806 146 HG23 VAL 19 2HG2 VAL 19 1.826 17.340 -3.048 147 H LYS 20 H LYS 20 3.990 15.945 0.501 148 HA LYS 20 HA LYS 20 1.846 14.123 -0.187 149 HB2 LYS 20 2HB LYS 20 3.146 12.400 0.923 150 HB3 LYS 20 3HB LYS 20 4.209 13.365 -0.092 151 HG2 LYS 20 2HG LYS 20 5.027 14.561 1.916 152 HG3 LYS 20 3HG LYS 20 3.961 13.585 2.926 153 HD2 LYS 20 2HD LYS 20 6.207 12.668 3.059 154 HD3 LYS 20 3HD LYS 20 5.194 11.528 2.175 155 HE2 LYS 20 2HE LYS 20 6.130 12.350 0.046 156 HE3 LYS 20 3HE LYS 20 7.119 13.514 0.930 157 HZ1 LYS 20 3HZ LYS 20 8.382 11.555 0.298 158 HZ2 LYS 20 1HZ LYS 20 7.331 10.561 1.180 159 HZ3 LYS 20 2HZ LYS 20 8.288 11.703 1.979 160 H ASN 21 H ASN 21 2.648 16.161 2.490 161 HA ASN 21 HA ASN 21 1.143 14.819 4.528 162 HB2 ASN 21 2HB ASN 21 2.206 17.674 4.423 163 HB3 ASN 21 3HB ASN 21 1.476 16.938 5.847 164 HD21 ASN 21 1HD2 ASN 21 4.129 18.042 5.518 165 HD22 ASN 21 2HD2 ASN 21 5.244 16.773 5.886 166 H LYS 22 H LYS 22 0.307 17.181 2.047 167 HA LYS 22 HA LYS 22 -2.167 18.008 3.303 168 HB2 LYS 22 2HB LYS 22 -2.652 19.157 1.182 169 HB3 LYS 22 3HB LYS 22 -1.017 19.508 1.735 170 HG2 LYS 22 2HG LYS 22 -0.222 17.688 0.165 171 HG3 LYS 22 3HG LYS 22 -1.848 17.668 -0.510 172 HD2 LYS 22 2HD LYS 22 0.034 20.053 -0.460 173 HD3 LYS 22 3HD LYS 22 -0.298 19.024 -1.849 174 HE2 LYS 22 2HE LYS 22 -2.722 19.725 -1.682 175 HE3 LYS 22 3HE LYS 22 -2.234 20.885 -0.443 176 HZ1 LYS 22 3HZ LYS 22 -1.283 20.827 -3.261 177 HZ2 LYS 22 1HZ LYS 22 -0.745 21.911 -2.074 178 HZ3 LYS 22 2HZ LYS 22 -2.355 21.948 -2.583 179 H GLY 23 H GLY 23 -1.191 15.509 0.998 180 HA2 GLY 23 2HA GLY 23 -3.759 14.465 0.356 181 HA3 GLY 23 3HA GLY 23 -2.243 13.562 0.344 182 H ASN 24 H ASN 24 -1.416 13.640 2.921 183 HA ASN 24 HA ASN 24 -2.963 11.784 4.380 184 HB2 ASN 24 2HB ASN 24 -0.582 11.991 4.771 185 HB3 ASN 24 3HB ASN 24 -0.732 13.687 5.217 186 HD21 ASN 24 1HD2 ASN 24 -1.420 14.213 7.299 187 HD22 ASN 24 2HD2 ASN 24 -1.552 13.046 8.565 188 H GLU 25 H GLU 25 -2.840 15.312 4.450 189 HA GLU 25 HA GLU 25 -4.391 15.789 6.746 190 HB2 GLU 25 2HB GLU 25 -3.546 17.843 6.295 191 HB3 GLU 25 3HB GLU 25 -3.184 17.416 4.632 192 HG2 GLU 25 2HG GLU 25 -5.547 17.996 4.031 193 HG3 GLU 25 3HG GLU 25 -5.803 18.530 5.694 194 H CYS 26 H CYS 26 -5.310 15.487 3.304 195 HA CYS 26 HA CYS 26 -7.999 16.150 3.582 196 HB2 CYS 26 2HB CYS 26 -6.688 14.289 1.598 197 HB3 CYS 26 3HB CYS 26 -8.338 14.899 1.451 198 HG CYS 26 HG CYS 26 -6.030 17.271 1.927 199 H PHE 27 H PHE 27 -6.436 12.946 3.982 200 HA PHE 27 HA PHE 27 -8.683 11.369 4.515 201 HB2 PHE 27 2HB PHE 27 -5.862 11.224 5.628 202 HB3 PHE 27 3HB PHE 27 -7.079 10.046 6.095 203 HD1 PHE 27 HD2 PHE 27 -8.490 9.290 3.729 204 HD2 PHE 27 HD1 PHE 27 -4.337 10.257 4.140 205 HE1 PHE 27 HE2 PHE 27 -7.958 7.867 1.792 206 HE2 PHE 27 HE1 PHE 27 -3.824 8.829 2.210 207 HZ PHE 27 HZ PHE 27 -5.625 7.630 1.030 208 H GLN 28 H GLN 28 -6.960 13.595 6.668 209 HA GLN 28 HA GLN 28 -8.195 12.871 9.127 210 HB2 GLN 28 2HB GLN 28 -7.209 15.682 8.470 211 HB3 GLN 28 3HB GLN 28 -7.334 14.933 10.057 212 HG2 GLN 28 2HG GLN 28 -5.334 14.364 7.878 213 HG3 GLN 28 3HG GLN 28 -5.033 15.059 9.466 214 HE21 GLN 28 1HE2 GLN 28 -5.451 12.152 7.647 215 HE22 GLN 28 2HE2 GLN 28 -5.093 11.045 8.920 216 H LYS 29 H LYS 29 -9.266 14.774 6.411 217 HA LYS 29 HA LYS 29 -11.387 16.106 7.954 218 HB2 LYS 29 2HB LYS 29 -11.228 16.466 4.968 219 HB3 LYS 29 3HB LYS 29 -11.573 17.646 6.221 220 HG2 LYS 29 2HG LYS 29 -8.861 16.608 5.378 221 HG3 LYS 29 3HG LYS 29 -9.512 18.208 5.057 222 HD2 LYS 29 2HD LYS 29 -8.995 17.214 7.882 223 HD3 LYS 29 3HD LYS 29 -7.719 17.955 6.911 224 HE2 LYS 29 2HE LYS 29 -8.642 19.622 8.368 225 HE3 LYS 29 3HE LYS 29 -9.132 20.007 6.722 226 HZ1 LYS 29 3HZ LYS 29 -10.847 18.696 8.768 227 HZ2 LYS 29 1HZ LYS 29 -11.325 19.105 7.200 228 HZ3 LYS 29 2HZ LYS 29 -10.936 20.315 8.307 229 H GLY 30 H GLY 30 -10.897 13.197 6.314 230 HA2 GLY 30 2HA GLY 30 -12.532 11.476 6.229 231 HA3 GLY 30 3HA GLY 30 -13.800 12.681 6.072 232 H ASP 31 H ASP 31 -11.193 13.448 4.101 233 HA ASP 31 HA ASP 31 -12.724 12.692 1.713 234 HB2 ASP 31 2HB ASP 31 -10.487 14.721 2.147 235 HB3 ASP 31 3HB ASP 31 -11.232 14.387 0.585 236 H TYR 32 H TYR 32 -12.128 10.576 1.308 237 HA TYR 32 HA TYR 32 -9.392 9.688 1.090 238 HB2 TYR 32 2HB TYR 32 -12.062 8.409 0.359 239 HB3 TYR 32 3HB TYR 32 -10.525 7.617 0.011 240 HD1 TYR 32 HD1 TYR 32 -12.111 9.378 2.972 241 HD2 TYR 32 HD2 TYR 32 -9.902 5.989 1.588 242 HE1 TYR 32 HE1 TYR 32 -12.067 8.475 5.256 243 HE2 TYR 32 HE2 TYR 32 -9.857 5.085 3.869 244 HH TYR 32 HH TYR 32 -11.801 6.286 6.389 245 HA PRO 33 HA PRO 33 -10.296 10.044 -3.785 246 HB2 PRO 33 2HB PRO 33 -12.252 12.348 -3.774 247 HB3 PRO 33 3HB PRO 33 -12.177 10.922 -4.836 248 HG2 PRO 33 2HG PRO 33 -14.035 11.070 -2.940 249 HG3 PRO 33 3HG PRO 33 -13.225 9.527 -3.299 250 HD2 PRO 33 2HD PRO 33 -12.740 11.430 -1.011 251 HD3 PRO 33 3HD PRO 33 -12.803 9.650 -1.011 252 H GLN 34 H GLN 34 -10.942 13.132 -2.066 253 HA GLN 34 HA GLN 34 -9.326 14.840 -3.461 254 HB2 GLN 34 2HB GLN 34 -11.013 15.239 -1.450 255 HB3 GLN 34 3HB GLN 34 -9.575 15.130 -0.450 256 HG2 GLN 34 2HG GLN 34 -9.849 17.430 -0.818 257 HG3 GLN 34 3HG GLN 34 -8.595 16.982 -1.982 258 HE21 GLN 34 1HE2 GLN 34 -9.352 16.546 -4.192 259 HE22 GLN 34 2HE2 GLN 34 -10.657 17.489 -4.826 260 H ALA 35 H ALA 35 -8.458 12.823 -0.654 261 HA ALA 35 HA ALA 35 -5.816 13.556 -0.199 262 HB1 ALA 35 3HB ALA 35 -7.098 12.050 1.253 263 HB2 ALA 35 1HB ALA 35 -5.555 11.321 0.806 264 HB3 ALA 35 2HB ALA 35 -7.046 10.789 0.020 265 H MET 36 H MET 36 -7.151 11.294 -2.574 266 HA MET 36 HA MET 36 -4.675 10.128 -3.431 267 HB2 MET 36 2HB MET 36 -6.788 8.930 -3.635 268 HB3 MET 36 3HB MET 36 -7.479 10.213 -4.611 269 HG2 MET 36 2HG MET 36 -5.781 9.649 -6.392 270 HG3 MET 36 3HG MET 36 -5.335 8.241 -5.421 271 HE1 MET 36 3HE MET 36 -8.275 10.046 -7.367 272 HE2 MET 36 1HE MET 36 -8.970 9.794 -5.761 273 HE3 MET 36 2HE MET 36 -9.588 8.891 -7.142 274 H LYS 37 H LYS 37 -6.729 12.778 -4.529 275 HA LYS 37 HA LYS 37 -5.383 13.374 -6.977 276 HB2 LYS 37 2HB LYS 37 -7.070 15.220 -5.232 277 HB3 LYS 37 3HB LYS 37 -6.693 15.457 -6.939 278 HG2 LYS 37 2HG LYS 37 -8.022 13.511 -7.560 279 HG3 LYS 37 3HG LYS 37 -8.290 13.113 -5.858 280 HD2 LYS 37 2HD LYS 37 -9.513 15.308 -5.598 281 HD3 LYS 37 3HD LYS 37 -9.343 15.562 -7.339 282 HE2 LYS 37 2HE LYS 37 -10.625 13.465 -7.746 283 HE3 LYS 37 3HE LYS 37 -10.821 13.265 -6.002 284 HZ1 LYS 37 3HZ LYS 37 -12.031 15.376 -5.950 285 HZ2 LYS 37 1HZ LYS 37 -12.773 14.262 -6.985 286 HZ3 LYS 37 2HZ LYS 37 -11.859 15.528 -7.624 287 H HIS 38 H HIS 38 -5.097 14.618 -3.663 288 HA HIS 38 HA HIS 38 -2.955 16.449 -4.235 289 HB2 HIS 38 2HB HIS 38 -3.980 15.303 -1.615 290 HB3 HIS 38 3HB HIS 38 -2.668 16.478 -1.706 291 HD1 HIS 38 HD1 HIS 38 -3.414 18.742 -3.148 292 HD2 HIS 38 HD2 HIS 38 -6.407 16.513 -1.363 293 HE1 HIS 38 HE1 HIS 38 -5.379 20.288 -2.971 294 HE2 HIS 38 HE2 HIS 38 -7.212 18.863 -2.036 295 H TYR 39 H TYR 39 -3.072 13.012 -3.598 296 HA TYR 39 HA TYR 39 -0.225 12.745 -3.229 297 HB2 TYR 39 2HB TYR 39 -2.373 10.704 -3.903 298 HB3 TYR 39 3HB TYR 39 -0.665 10.274 -3.827 299 HD1 TYR 39 HD2 TYR 39 0.237 11.900 -1.464 300 HD2 TYR 39 HD1 TYR 39 -3.289 9.546 -2.035 301 HE1 TYR 39 HE2 TYR 39 0.076 11.543 0.961 302 HE2 TYR 39 HE1 TYR 39 -3.442 9.197 0.388 303 HH TYR 39 HH TYR 39 -1.633 10.996 2.628 304 H THR 40 H THR 40 -2.331 12.981 -6.044 305 HA THR 40 HA THR 40 -0.587 11.901 -7.984 306 HB THR 40 HB THR 40 -2.581 14.183 -8.418 307 HG1 THR 40 HG1 THR 40 -4.056 12.520 -8.904 308 HG21 THR 40 3HG2 THR 40 -1.037 13.839 -10.342 309 HG22 THR 40 1HG2 THR 40 -2.686 13.364 -10.749 310 HG23 THR 40 2HG2 THR 40 -1.478 12.129 -10.391 311 H GLU 41 H GLU 41 -1.006 15.243 -6.786 312 HA GLU 41 HA GLU 41 1.135 16.387 -8.322 313 HB2 GLU 41 2HB GLU 41 0.804 18.406 -6.968 314 HB3 GLU 41 3HB GLU 41 -0.746 17.773 -7.509 315 HG2 GLU 41 2HG GLU 41 -1.236 16.892 -5.318 316 HG3 GLU 41 3HG GLU 41 0.386 17.261 -4.740 317 H ALA 42 H ALA 42 0.937 14.793 -5.192 318 HA ALA 42 HA ALA 42 3.488 15.557 -4.178 319 HB1 ALA 42 3HB ALA 42 1.844 13.088 -3.531 320 HB2 ALA 42 1HB ALA 42 1.722 14.656 -2.731 321 HB3 ALA 42 2HB ALA 42 3.203 13.710 -2.587 322 H ILE 43 H ILE 43 2.360 12.845 -6.134 323 HA ILE 43 HA ILE 43 4.735 11.352 -6.375 324 HB ILE 43 HB ILE 43 2.272 11.625 -8.157 325 HG12 ILE 43 2HG1 ILE 43 3.166 9.243 -6.456 326 HG13 ILE 43 3HG1 ILE 43 2.114 10.514 -5.848 327 HG21 ILE 43 1HG2 ILE 43 3.015 9.624 -9.424 328 HG22 ILE 43 2HG2 ILE 43 4.562 9.667 -8.574 329 HG23 ILE 43 3HG2 ILE 43 4.109 10.991 -9.648 330 HD11 ILE 43 3HD1 ILE 43 1.505 8.634 -8.119 331 HD12 ILE 43 1HD1 ILE 43 0.462 9.954 -7.579 332 HD13 ILE 43 2HD1 ILE 43 0.820 8.610 -6.495 333 H LYS 44 H LYS 44 3.490 14.154 -8.148 334 HA LYS 44 HA LYS 44 5.437 14.214 -10.226 335 HB2 LYS 44 2HB LYS 44 3.873 16.552 -9.042 336 HB3 LYS 44 3HB LYS 44 4.713 16.554 -10.591 337 HG2 LYS 44 2HG LYS 44 2.288 14.901 -9.850 338 HG3 LYS 44 3HG LYS 44 2.335 16.277 -10.952 339 HD2 LYS 44 2HD LYS 44 3.735 14.998 -12.526 340 HD3 LYS 44 3HD LYS 44 3.786 13.633 -11.404 341 HE2 LYS 44 2HE LYS 44 2.159 13.212 -13.176 342 HE3 LYS 44 3HE LYS 44 1.331 13.368 -11.627 343 HZ1 LYS 44 3HZ LYS 44 0.161 14.552 -13.348 344 HZ2 LYS 44 1HZ LYS 44 1.529 15.467 -13.724 345 HZ3 LYS 44 2HZ LYS 44 0.770 15.657 -12.228 346 H ARG 45 H ARG 45 5.691 14.943 -6.900 347 HA ARG 45 HA ARG 45 8.149 16.537 -7.184 348 HB2 ARG 45 2HB ARG 45 6.526 15.801 -4.706 349 HB3 ARG 45 3HB ARG 45 7.943 16.844 -4.725 350 HG2 ARG 45 2HG ARG 45 5.356 17.438 -6.177 351 HG3 ARG 45 3HG ARG 45 5.797 18.081 -4.597 352 HD2 ARG 45 2HD ARG 45 7.768 19.194 -5.624 353 HD3 ARG 45 3HD ARG 45 7.255 18.584 -7.201 354 HE ARG 45 HE ARG 45 5.142 19.996 -5.977 355 HH11 ARG 45 1HH1 ARG 45 8.194 20.620 -7.625 356 HH12 ARG 45 2HH1 ARG 45 7.708 22.197 -8.154 357 HH21 ARG 45 1HH2 ARG 45 4.552 22.069 -6.633 358 HH22 ARG 45 2HH2 ARG 45 5.643 23.019 -7.590 359 H ASN 46 H ASN 46 6.951 13.429 -5.902 360 HA ASN 46 HA ASN 46 9.699 12.390 -5.798 361 HB2 ASN 46 2HB ASN 46 9.150 11.297 -3.541 362 HB3 ASN 46 3HB ASN 46 9.522 13.008 -3.542 363 HD21 ASN 46 1HD2 ASN 46 6.368 11.395 -4.263 364 HD22 ASN 46 2HD2 ASN 46 5.536 12.166 -2.976 365 HA PRO 47 HA PRO 47 6.633 9.533 -7.809 366 HB2 PRO 47 2HB PRO 47 7.932 9.101 -10.152 367 HB3 PRO 47 3HB PRO 47 7.058 10.618 -9.846 368 HG2 PRO 47 2HG PRO 47 10.005 10.069 -9.604 369 HG3 PRO 47 3HG PRO 47 9.183 11.433 -10.397 370 HD2 PRO 47 2HD PRO 47 10.210 11.612 -7.870 371 HD3 PRO 47 3HD PRO 47 8.783 12.535 -8.395 372 H LYS 48 H LYS 48 9.982 9.176 -6.989 373 HA LYS 48 HA LYS 48 10.099 6.340 -7.647 374 HB2 LYS 48 2HB LYS 48 12.473 6.512 -6.868 375 HB3 LYS 48 3HB LYS 48 12.070 7.586 -8.191 376 HG2 LYS 48 2HG LYS 48 13.404 8.943 -6.859 377 HG3 LYS 48 3HG LYS 48 11.786 9.399 -6.322 378 HD2 LYS 48 2HD LYS 48 11.990 8.043 -4.329 379 HD3 LYS 48 3HD LYS 48 13.493 7.322 -4.910 380 HE2 LYS 48 2HE LYS 48 13.984 8.962 -3.196 381 HE3 LYS 48 3HE LYS 48 14.593 9.544 -4.741 382 HZ1 LYS 48 3HZ LYS 48 12.684 10.990 -4.913 383 HZ2 LYS 48 1HZ LYS 48 13.496 11.279 -3.459 384 HZ3 LYS 48 2HZ LYS 48 12.052 10.402 -3.467 385 H ASP 49 H ASP 49 9.067 8.220 -5.054 386 HA ASP 49 HA ASP 49 9.625 6.353 -2.916 387 HB2 ASP 49 2HB ASP 49 7.958 8.894 -3.127 388 HB3 ASP 49 3HB ASP 49 7.957 7.909 -1.673 389 H ALA 50 H ALA 50 8.713 4.411 -3.404 390 HA ALA 50 HA ALA 50 6.059 4.016 -4.357 391 HB1 ALA 50 3HB ALA 50 6.480 1.637 -4.019 392 HB2 ALA 50 1HB ALA 50 7.947 2.013 -3.108 393 HB3 ALA 50 2HB ALA 50 7.844 2.416 -4.822 394 H LYS 51 H LYS 51 7.285 4.560 -1.127 395 HA LYS 51 HA LYS 51 5.093 3.370 0.277 396 HB2 LYS 51 2HB LYS 51 5.755 4.531 2.246 397 HB3 LYS 51 3HB LYS 51 7.235 4.109 1.405 398 HG2 LYS 51 2HG LYS 51 6.030 6.863 1.089 399 HG3 LYS 51 3HG LYS 51 6.994 6.463 2.505 400 HD2 LYS 51 2HD LYS 51 8.013 6.127 -0.336 401 HD3 LYS 51 3HD LYS 51 8.229 7.607 0.602 402 HE2 LYS 51 2HE LYS 51 9.488 6.349 2.313 403 HE3 LYS 51 3HE LYS 51 9.250 4.859 1.395 404 HZ1 LYS 51 3HZ LYS 51 10.541 5.711 -0.379 405 HZ2 LYS 51 1HZ LYS 51 11.441 5.923 1.032 406 HZ3 LYS 51 2HZ LYS 51 10.655 7.239 0.320 407 H LEU 52 H LEU 52 5.373 6.354 -1.514 408 HA LEU 52 HA LEU 52 2.921 7.570 -0.634 409 HB2 LEU 52 2HB LEU 52 4.762 7.945 -2.997 410 HB3 LEU 52 3HB LEU 52 3.145 8.612 -3.113 411 HG LEU 52 HG LEU 52 4.749 10.319 -2.380 412 HD11 LEU 52 1HD1 LEU 52 3.533 11.154 -0.413 413 HD12 LEU 52 2HD1 LEU 52 2.764 9.585 -0.198 414 HD13 LEU 52 3HD1 LEU 52 2.435 10.545 -1.644 415 HD21 LEU 52 3HD2 LEU 52 6.388 8.891 -1.212 416 HD22 LEU 52 1HD2 LEU 52 5.237 8.611 0.096 417 HD23 LEU 52 2HD2 LEU 52 5.872 10.232 -0.199 418 H TYR 53 H TYR 53 3.821 5.255 -3.084 419 HA TYR 53 HA TYR 53 1.205 4.937 -4.224 420 HB2 TYR 53 2HB TYR 53 3.777 3.361 -4.487 421 HB3 TYR 53 3HB TYR 53 2.298 2.924 -5.336 422 HD1 TYR 53 HD1 TYR 53 1.191 4.820 -6.806 423 HD2 TYR 53 HD2 TYR 53 5.276 4.865 -5.571 424 HE1 TYR 53 HE1 TYR 53 1.759 6.300 -8.685 425 HE2 TYR 53 HE2 TYR 53 5.835 6.339 -7.435 426 HH TYR 53 HH TYR 53 4.993 6.905 -9.618 427 H SER 54 H SER 54 2.802 3.618 -1.446 428 HA SER 54 HA SER 54 1.119 1.385 -0.974 429 HB2 SER 54 2HB SER 54 3.145 1.748 0.378 430 HB3 SER 54 3HB SER 54 2.482 3.246 1.032 431 HG SER 54 HG SER 54 1.445 2.106 2.454 432 H ASN 55 H ASN 55 0.808 4.855 -0.282 433 HA ASN 55 HA ASN 55 -1.789 4.692 0.976 434 HB2 ASN 55 2HB ASN 55 -0.305 7.105 -0.171 435 HB3 ASN 55 3HB ASN 55 -1.768 7.178 0.814 436 HD21 ASN 55 1HD2 ASN 55 -0.858 8.339 2.484 437 HD22 ASN 55 2HD2 ASN 55 0.374 7.721 3.528 438 H ARG 56 H ARG 56 -0.589 5.130 -2.278 439 HA ARG 56 HA ARG 56 -2.951 6.116 -3.520 440 HB2 ARG 56 2HB ARG 56 -0.574 6.200 -4.435 441 HB3 ARG 56 3HB ARG 56 -0.705 4.484 -4.789 442 HG2 ARG 56 2HG ARG 56 -1.064 5.725 -6.821 443 HG3 ARG 56 3HG ARG 56 -2.599 4.994 -6.346 444 HD2 ARG 56 2HD ARG 56 -3.413 7.111 -5.491 445 HD3 ARG 56 3HD ARG 56 -1.833 7.872 -5.737 446 HE ARG 56 HE ARG 56 -3.107 6.785 -8.122 447 HH11 ARG 56 1HH1 ARG 56 -2.530 9.627 -6.158 448 HH12 ARG 56 2HH1 ARG 56 -2.914 10.741 -7.422 449 HH21 ARG 56 1HH2 ARG 56 -3.638 8.271 -9.792 450 HH22 ARG 56 2HH2 ARG 56 -3.542 9.975 -9.482 451 H ALA 57 H ALA 57 -1.488 2.873 -3.381 452 HA ALA 57 HA ALA 57 -3.593 1.396 -4.542 453 HB1 ALA 57 3HB ALA 57 -2.438 -0.583 -3.634 454 HB2 ALA 57 1HB ALA 57 -1.440 0.455 -2.610 455 HB3 ALA 57 2HB ALA 57 -1.288 0.538 -4.365 456 H ALA 58 H ALA 58 -2.897 2.354 -1.187 457 HA ALA 58 HA ALA 58 -4.916 0.837 0.117 458 HB1 ALA 58 3HB ALA 58 -3.680 3.470 0.980 459 HB2 ALA 58 1HB ALA 58 -3.052 1.860 1.336 460 HB3 ALA 58 2HB ALA 58 -4.600 2.368 2.014 461 H CYS 59 H CYS 59 -4.925 4.040 -1.391 462 HA CYS 59 HA CYS 59 -7.570 4.798 -0.692 463 HB2 CYS 59 2HB CYS 59 -5.899 6.410 -1.592 464 HB3 CYS 59 3HB CYS 59 -5.965 5.613 -3.163 465 HG CYS 59 HG CYS 59 -7.968 6.924 -4.071 466 H TYR 60 H TYR 60 -6.190 3.226 -3.595 467 HA TYR 60 HA TYR 60 -8.474 2.855 -5.112 468 HB2 TYR 60 2HB TYR 60 -5.995 1.121 -4.927 469 HB3 TYR 60 3HB TYR 60 -7.240 0.880 -6.146 470 HD1 TYR 60 HD1 TYR 60 -7.757 3.948 -6.621 471 HD2 TYR 60 HD2 TYR 60 -4.206 1.566 -6.496 472 HE1 TYR 60 HE1 TYR 60 -6.646 5.514 -8.153 473 HE2 TYR 60 HE2 TYR 60 -3.103 3.141 -8.023 474 HH TYR 60 HH TYR 60 -3.567 4.838 -9.596 475 H THR 61 H THR 61 -7.189 0.658 -2.575 476 HA THR 61 HA THR 61 -9.098 -1.400 -2.894 477 HB THR 61 HB THR 61 -8.548 -2.036 -0.500 478 HG1 THR 61 HG1 THR 61 -7.945 0.382 -0.102 479 HG21 THR 61 3HG2 THR 61 -7.196 -2.906 -2.369 480 HG22 THR 61 1HG2 THR 61 -6.204 -2.630 -0.935 481 HG23 THR 61 2HG2 THR 61 -6.145 -1.487 -2.278 482 H LYS 62 H LYS 62 -9.246 1.671 -1.100 483 HA LYS 62 HA LYS 62 -11.661 0.974 0.371 484 HB2 LYS 62 2HB LYS 62 -10.244 3.654 0.037 485 HB3 LYS 62 3HB LYS 62 -11.609 3.374 1.117 486 HG2 LYS 62 2HG LYS 62 -8.875 2.072 1.317 487 HG3 LYS 62 3HG LYS 62 -9.495 3.358 2.358 488 HD2 LYS 62 2HD LYS 62 -11.202 1.870 3.263 489 HD3 LYS 62 3HD LYS 62 -10.766 0.600 2.117 490 HE2 LYS 62 2HE LYS 62 -8.539 0.409 3.192 491 HE3 LYS 62 3HE LYS 62 -9.007 1.656 4.359 492 HZ1 LYS 62 3HZ LYS 62 -10.757 0.238 5.168 493 HZ2 LYS 62 1HZ LYS 62 -9.301 -0.615 5.205 494 HZ3 LYS 62 2HZ LYS 62 -10.429 -0.930 3.989 495 H LEU 63 H LEU 63 -10.853 2.472 -2.632 496 HA LEU 63 HA LEU 63 -13.565 3.366 -3.223 497 HB2 LEU 63 2HB LEU 63 -11.075 3.303 -4.987 498 HB3 LEU 63 3HB LEU 63 -12.580 4.140 -5.348 499 HG LEU 63 HG LEU 63 -10.651 4.833 -3.094 500 HD11 LEU 63 1HD1 LEU 63 -9.759 5.471 -5.269 501 HD12 LEU 63 2HD1 LEU 63 -10.206 6.900 -4.340 502 HD13 LEU 63 3HD1 LEU 63 -11.247 6.342 -5.654 503 HD21 LEU 63 3HD2 LEU 63 -13.254 6.188 -3.852 504 HD22 LEU 63 1HD2 LEU 63 -12.077 6.812 -2.689 505 HD23 LEU 63 2HD2 LEU 63 -12.914 5.295 -2.365 506 H LEU 64 H LEU 64 -12.143 0.398 -3.067 507 HA LEU 64 HA LEU 64 -12.718 -1.663 -3.705 508 HB2 LEU 64 2HB LEU 64 -15.059 -0.255 -5.023 509 HB3 LEU 64 3HB LEU 64 -14.821 -1.978 -5.222 510 HG LEU 64 HG LEU 64 -16.466 -1.627 -3.487 511 HD11 LEU 64 1HD1 LEU 64 -13.870 -2.515 -2.190 512 HD12 LEU 64 2HD1 LEU 64 -14.953 -3.525 -3.151 513 HD13 LEU 64 3HD1 LEU 64 -15.503 -2.865 -1.613 514 HD21 LEU 64 3HD2 LEU 64 -14.445 0.072 -1.978 515 HD22 LEU 64 1HD2 LEU 64 -16.050 -0.394 -1.406 516 HD23 LEU 64 2HD2 LEU 64 -15.887 0.666 -2.803 517 H GLU 65 H GLU 65 -11.277 0.441 -5.602 518 HA GLU 65 HA GLU 65 -11.083 -1.099 -8.058 519 HB2 GLU 65 2HB GLU 65 -10.077 1.573 -7.085 520 HB3 GLU 65 3HB GLU 65 -9.131 0.784 -8.340 521 HG2 GLU 65 2HG GLU 65 -10.733 2.377 -9.289 522 HG3 GLU 65 3HG GLU 65 -11.041 0.734 -9.839 523 H PHE 66 H PHE 66 -10.424 -2.834 -6.183 524 HA PHE 66 HA PHE 66 -7.756 -3.060 -5.358 525 HB2 PHE 66 2HB PHE 66 -9.755 -5.243 -6.049 526 HB3 PHE 66 3HB PHE 66 -8.186 -5.568 -5.333 527 HD1 PHE 66 HD2 PHE 66 -11.412 -3.787 -4.721 528 HD2 PHE 66 HD1 PHE 66 -7.906 -5.503 -2.979 529 HE1 PHE 66 HE2 PHE 66 -12.402 -3.551 -2.482 530 HE2 PHE 66 HE1 PHE 66 -8.907 -5.271 -0.744 531 HZ PHE 66 HZ PHE 66 -11.154 -4.293 -0.493 532 H GLN 67 H GLN 67 -9.211 -3.651 -8.491 533 HA GLN 67 HA GLN 67 -7.228 -5.085 -9.829 534 HB2 GLN 67 2HB GLN 67 -8.989 -2.834 -10.883 535 HB3 GLN 67 3HB GLN 67 -8.060 -3.931 -11.901 536 HG2 GLN 67 2HG GLN 67 -10.347 -4.694 -10.074 537 HG3 GLN 67 3HG GLN 67 -10.418 -4.555 -11.824 538 HE21 GLN 67 1HE2 GLN 67 -9.350 -6.501 -9.147 539 HE22 GLN 67 2HE2 GLN 67 -8.953 -7.913 -10.058 540 H LEU 68 H LEU 68 -7.511 -1.589 -9.180 541 HA LEU 68 HA LEU 68 -5.125 -0.896 -10.665 542 HB2 LEU 68 2HB LEU 68 -6.686 0.793 -8.665 543 HB3 LEU 68 3HB LEU 68 -5.449 1.371 -9.770 544 HG LEU 68 HG LEU 68 -8.265 0.454 -10.437 545 HD11 LEU 68 1HD1 LEU 68 -8.036 2.772 -9.711 546 HD12 LEU 68 2HD1 LEU 68 -8.445 2.717 -11.424 547 HD13 LEU 68 3HD1 LEU 68 -6.787 3.064 -10.923 548 HD21 LEU 68 3HD2 LEU 68 -6.013 0.931 -12.415 549 HD22 LEU 68 1HD2 LEU 68 -7.723 0.787 -12.834 550 HD23 LEU 68 2HD2 LEU 68 -6.878 -0.585 -12.124 551 H ALA 69 H ALA 69 -6.040 -1.521 -7.333 552 HA ALA 69 HA ALA 69 -3.776 -0.535 -5.995 553 HB1 ALA 69 3HB ALA 69 -5.901 -1.042 -4.868 554 HB2 ALA 69 1HB ALA 69 -4.549 -1.859 -4.085 555 HB3 ALA 69 2HB ALA 69 -5.643 -2.766 -5.134 556 H LEU 70 H LEU 70 -4.464 -3.775 -7.343 557 HA LEU 70 HA LEU 70 -2.158 -5.130 -6.469 558 HB2 LEU 70 2HB LEU 70 -3.724 -5.470 -9.061 559 HB3 LEU 70 3HB LEU 70 -2.499 -6.597 -8.503 560 HG LEU 70 HG LEU 70 -5.111 -6.019 -7.044 561 HD11 LEU 70 1HD1 LEU 70 -5.534 -7.134 -9.173 562 HD12 LEU 70 2HD1 LEU 70 -5.830 -8.241 -7.837 563 HD13 LEU 70 3HD1 LEU 70 -4.348 -8.387 -8.789 564 HD21 LEU 70 3HD2 LEU 70 -4.569 -7.982 -5.677 565 HD22 LEU 70 1HD2 LEU 70 -3.330 -6.740 -5.510 566 HD23 LEU 70 2HD2 LEU 70 -3.022 -8.163 -6.510 567 H LYS 71 H LYS 71 -2.733 -3.693 -9.689 568 HA LYS 71 HA LYS 71 -0.075 -4.125 -10.583 569 HB2 LYS 71 2HB LYS 71 -0.762 -2.865 -12.604 570 HB3 LYS 71 3HB LYS 71 -1.908 -4.123 -12.156 571 HG2 LYS 71 2HG LYS 71 -3.418 -2.428 -11.180 572 HG3 LYS 71 3HG LYS 71 -2.257 -1.159 -11.583 573 HD2 LYS 71 2HD LYS 71 -4.088 -1.252 -13.241 574 HD3 LYS 71 3HD LYS 71 -2.529 -1.620 -13.980 575 HE2 LYS 71 2HE LYS 71 -3.096 -4.075 -13.755 576 HE3 LYS 71 3HE LYS 71 -4.711 -3.592 -13.232 577 HZ1 LYS 71 3HZ LYS 71 -5.065 -2.519 -15.336 578 HZ2 LYS 71 1HZ LYS 71 -4.590 -4.113 -15.611 579 HZ3 LYS 71 2HZ LYS 71 -3.488 -2.852 -15.841 580 H ASP 72 H ASP 72 -1.541 -1.457 -8.903 581 HA ASP 72 HA ASP 72 0.250 0.629 -9.541 582 HB2 ASP 72 2HB ASP 72 -1.913 0.941 -8.267 583 HB3 ASP 72 3HB ASP 72 -1.177 0.170 -6.864 584 H CYS 73 H CYS 73 0.204 -1.520 -6.674 585 HA CYS 73 HA CYS 73 2.795 -0.809 -5.766 586 HB2 CYS 73 2HB CYS 73 2.542 -2.665 -4.177 587 HB3 CYS 73 3HB CYS 73 1.046 -1.746 -4.286 588 HG CYS 73 HG CYS 73 -0.397 -3.604 -5.602 589 H GLU 74 H GLU 74 1.641 -3.279 -8.020 590 HA GLU 74 HA GLU 74 4.012 -4.881 -8.072 591 HB2 GLU 74 2HB GLU 74 1.752 -4.633 -10.095 592 HB3 GLU 74 3HB GLU 74 3.056 -5.813 -10.223 593 HG2 GLU 74 2HG GLU 74 2.370 -6.756 -8.020 594 HG3 GLU 74 3HG GLU 74 1.018 -5.637 -7.980 595 H GLU 75 H GLU 75 3.119 -1.946 -9.893 596 HA GLU 75 HA GLU 75 5.567 -2.166 -11.496 597 HB2 GLU 75 2HB GLU 75 4.913 -0.115 -12.603 598 HB3 GLU 75 3HB GLU 75 3.534 -1.206 -12.545 599 HG2 GLU 75 2HG GLU 75 2.591 0.101 -10.660 600 HG3 GLU 75 3HG GLU 75 3.957 1.211 -10.752 601 H CYS 76 H CYS 76 4.384 -0.476 -8.671 602 HA CYS 76 HA CYS 76 6.456 1.434 -8.430 603 HB2 CYS 76 2HB CYS 76 4.543 0.376 -6.330 604 HB3 CYS 76 3HB CYS 76 5.562 1.813 -6.157 605 HG CYS 76 HG CYS 76 2.612 1.905 -7.087 606 H ILE 77 H ILE 77 6.310 -1.914 -7.519 607 HA ILE 77 HA ILE 77 8.446 -2.060 -5.687 608 HB ILE 77 HB ILE 77 6.790 -3.910 -6.365 609 HG12 ILE 77 2HG1 ILE 77 8.940 -4.270 -4.918 610 HG13 ILE 77 3HG1 ILE 77 8.145 -5.683 -5.583 611 HG21 ILE 77 1HG2 ILE 77 7.090 -3.816 -8.790 612 HG22 ILE 77 2HG2 ILE 77 7.405 -5.443 -8.191 613 HG23 ILE 77 3HG2 ILE 77 8.751 -4.390 -8.637 614 HD11 ILE 77 3HD1 ILE 77 10.562 -5.848 -5.699 615 HD12 ILE 77 1HD1 ILE 77 10.634 -4.393 -6.692 616 HD13 ILE 77 2HD1 ILE 77 9.849 -5.848 -7.310 617 H GLN 78 H GLN 78 8.395 -1.625 -9.184 618 HA GLN 78 HA GLN 78 11.178 -2.213 -9.678 619 HB2 GLN 78 2HB GLN 78 9.134 -0.744 -11.407 620 HB3 GLN 78 3HB GLN 78 10.705 -1.324 -11.956 621 HG2 GLN 78 2HG GLN 78 8.431 -3.072 -10.962 622 HG3 GLN 78 3HG GLN 78 8.856 -2.812 -12.655 623 HE21 GLN 78 1HE2 GLN 78 8.767 -5.294 -11.091 624 HE22 GLN 78 2HE2 GLN 78 10.334 -6.000 -11.238 625 H LEU 79 H LEU 79 9.422 0.541 -8.588 626 HA LEU 79 HA LEU 79 11.491 2.511 -9.175 627 HB2 LEU 79 2HB LEU 79 9.094 2.793 -7.313 628 HB3 LEU 79 3HB LEU 79 10.037 4.093 -8.032 629 HG LEU 79 HG LEU 79 8.189 2.200 -9.537 630 HD11 LEU 79 1HD1 LEU 79 6.718 4.140 -9.808 631 HD12 LEU 79 2HD1 LEU 79 7.810 5.125 -8.834 632 HD13 LEU 79 3HD1 LEU 79 6.960 3.762 -8.102 633 HD21 LEU 79 3HD2 LEU 79 8.561 3.675 -11.484 634 HD22 LEU 79 1HD2 LEU 79 10.044 2.876 -10.964 635 HD23 LEU 79 2HD2 LEU 79 9.774 4.574 -10.567 636 H GLU 80 H GLU 80 10.072 0.911 -6.381 637 HA GLU 80 HA GLU 80 12.443 1.177 -4.733 638 HB2 GLU 80 2HB GLU 80 11.369 3.329 -4.374 639 HB3 GLU 80 3HB GLU 80 9.812 2.568 -4.101 640 HG2 GLU 80 2HG GLU 80 10.642 1.579 -2.007 641 HG3 GLU 80 3HG GLU 80 12.229 2.304 -2.277 642 HA PRO 81 HA PRO 81 10.150 -2.717 -3.820 643 HB2 PRO 81 2HB PRO 81 12.276 -4.298 -3.287 644 HB3 PRO 81 3HB PRO 81 11.924 -3.768 -4.947 645 HG2 PRO 81 2HG PRO 81 13.952 -2.688 -3.020 646 HG3 PRO 81 3HG PRO 81 14.120 -3.026 -4.757 647 HD2 PRO 81 2HD PRO 81 13.612 -0.510 -3.701 648 HD3 PRO 81 3HD PRO 81 13.212 -0.996 -5.363 649 H THR 82 H THR 82 11.469 -0.501 -1.742 650 HA THR 82 HA THR 82 11.511 -2.214 0.666 651 HB THR 82 HB THR 82 12.594 -0.253 1.771 652 HG1 THR 82 HG1 THR 82 11.759 1.454 0.601 653 HG21 THR 82 3HG2 THR 82 13.955 -1.018 -0.847 654 HG22 THR 82 1HG2 THR 82 14.049 -1.931 0.662 655 HG23 THR 82 2HG2 THR 82 14.745 -0.313 0.566 656 H PHE 83 H PHE 83 9.047 -0.882 -0.849 657 HA PHE 83 HA PHE 83 7.958 0.821 1.246 658 HB2 PHE 83 2HB PHE 83 6.132 1.266 -0.239 659 HB3 PHE 83 3HB PHE 83 7.615 1.335 -1.173 660 HD1 PHE 83 HD1 PHE 83 8.240 -0.949 -2.449 661 HD2 PHE 83 HD2 PHE 83 4.354 0.076 -1.061 662 HE1 PHE 83 HE1 PHE 83 7.264 -2.508 -4.087 663 HE2 PHE 83 HE2 PHE 83 3.362 -1.467 -2.713 664 HZ PHE 83 HZ PHE 83 4.820 -2.758 -4.225 665 H ILE 84 H ILE 84 7.468 -0.297 3.023 666 HA ILE 84 HA ILE 84 7.137 -3.150 2.939 667 HB ILE 84 HB ILE 84 7.067 -1.268 5.350 668 HG12 ILE 84 2HG1 ILE 84 9.427 -2.783 4.122 669 HG13 ILE 84 3HG1 ILE 84 9.171 -1.046 4.034 670 HG21 ILE 84 1HG2 ILE 84 7.571 -4.271 5.227 671 HG22 ILE 84 2HG2 ILE 84 6.123 -3.480 5.861 672 HG23 ILE 84 3HG2 ILE 84 7.670 -3.257 6.672 673 HD11 ILE 84 3HD1 ILE 84 9.417 -0.880 6.448 674 HD12 ILE 84 1HD1 ILE 84 10.830 -1.613 5.687 675 HD13 ILE 84 2HD1 ILE 84 9.667 -2.628 6.540 676 H LYS 85 H LYS 85 5.050 -0.426 3.703 677 HA LYS 85 HA LYS 85 2.907 -2.004 4.809 678 HB2 LYS 85 2HB LYS 85 3.142 0.924 4.017 679 HB3 LYS 85 3HB LYS 85 1.620 0.231 4.567 680 HG2 LYS 85 2HG LYS 85 2.707 1.344 6.420 681 HG3 LYS 85 3HG LYS 85 2.675 -0.394 6.720 682 HD2 LYS 85 2HD LYS 85 5.060 -0.532 5.990 683 HD3 LYS 85 3HD LYS 85 5.071 1.221 5.759 684 HE2 LYS 85 2HE LYS 85 6.074 0.683 7.900 685 HE3 LYS 85 3HE LYS 85 4.540 1.501 8.179 686 HZ1 LYS 85 3HZ LYS 85 4.608 -0.303 9.656 687 HZ2 LYS 85 1HZ LYS 85 5.144 -1.377 8.466 688 HZ3 LYS 85 2HZ LYS 85 3.564 -0.788 8.423 689 H GLY 86 H GLY 86 3.826 -0.835 1.651 690 HA2 GLY 86 2HA GLY 86 1.351 -1.163 0.285 691 HA3 GLY 86 3HA GLY 86 2.948 -1.127 -0.450 692 H TYR 87 H TYR 87 3.927 -3.390 1.156 693 HA TYR 87 HA TYR 87 2.977 -5.621 -0.350 694 HB2 TYR 87 2HB TYR 87 4.753 -5.436 2.116 695 HB3 TYR 87 3HB TYR 87 4.331 -6.977 1.376 696 HD1 TYR 87 HD2 TYR 87 5.168 -7.565 -0.900 697 HD2 TYR 87 HD1 TYR 87 6.339 -3.930 1.001 698 HE1 TYR 87 HE2 TYR 87 6.984 -7.294 -2.536 699 HE2 TYR 87 HE1 TYR 87 8.146 -3.649 -0.634 700 HH TYR 87 HH TYR 87 9.483 -4.969 -2.135 701 H THR 88 H THR 88 2.269 -4.421 2.930 702 HA THR 88 HA THR 88 0.507 -6.526 3.693 703 HB THR 88 HB THR 88 0.526 -3.632 4.689 704 HG1 THR 88 HG1 THR 88 2.186 -4.223 5.928 705 HG21 THR 88 3HG2 THR 88 -0.408 -4.593 6.792 706 HG22 THR 88 1HG2 THR 88 -0.500 -6.180 6.026 707 HG23 THR 88 2HG2 THR 88 -1.503 -4.854 5.433 708 H ARG 89 H ARG 89 0.043 -3.524 1.855 709 HA ARG 89 HA ARG 89 -2.821 -3.620 1.662 710 HB2 ARG 89 2HB ARG 89 -0.934 -2.318 -0.360 711 HB3 ARG 89 3HB ARG 89 -2.633 -1.937 -0.099 712 HG2 ARG 89 2HG ARG 89 -0.351 -1.396 1.806 713 HG3 ARG 89 3HG ARG 89 -1.186 -0.199 0.826 714 HD2 ARG 89 2HD ARG 89 -3.093 -0.222 2.196 715 HD3 ARG 89 3HD ARG 89 -2.768 -1.843 2.808 716 HE ARG 89 HE ARG 89 -1.611 -0.927 4.511 717 HH11 ARG 89 1HH1 ARG 89 -1.625 1.538 1.994 718 HH12 ARG 89 2HH1 ARG 89 -0.835 2.708 2.999 719 HH21 ARG 89 1HH2 ARG 89 -0.561 0.604 5.772 720 HH22 ARG 89 2HH2 ARG 89 -0.231 2.184 5.124 721 H LYS 90 H LYS 90 -0.151 -4.845 -0.294 722 HA LYS 90 HA LYS 90 -1.614 -5.881 -2.478 723 HB2 LYS 90 2HB LYS 90 0.834 -5.456 -2.577 724 HB3 LYS 90 3HB LYS 90 1.118 -6.712 -1.376 725 HG2 LYS 90 2HG LYS 90 1.661 -7.530 -3.614 726 HG3 LYS 90 3HG LYS 90 0.286 -8.423 -2.955 727 HD2 LYS 90 2HD LYS 90 -1.263 -7.034 -4.299 728 HD3 LYS 90 3HD LYS 90 0.105 -6.134 -4.957 729 HE2 LYS 90 2HE LYS 90 -0.471 -9.086 -5.360 730 HE3 LYS 90 3HE LYS 90 -0.659 -7.805 -6.557 731 HZ1 LYS 90 3HZ LYS 90 1.370 -8.989 -6.932 732 HZ2 LYS 90 1HZ LYS 90 1.883 -8.722 -5.346 733 HZ3 LYS 90 2HZ LYS 90 1.745 -7.425 -6.412 734 H ALA 91 H ALA 91 -0.584 -7.272 0.618 735 HA ALA 91 HA ALA 91 -1.378 -9.958 0.104 736 HB1 ALA 91 3HB ALA 91 0.276 -9.396 1.832 737 HB2 ALA 91 1HB ALA 91 -1.073 -10.299 2.523 738 HB3 ALA 91 2HB ALA 91 -0.958 -8.553 2.769 739 H ALA 92 H ALA 92 -2.960 -7.166 1.625 740 HA ALA 92 HA ALA 92 -5.382 -8.445 2.423 741 HB1 ALA 92 3HB ALA 92 -4.612 -6.320 3.404 742 HB2 ALA 92 1HB ALA 92 -6.240 -6.163 2.745 743 HB3 ALA 92 2HB ALA 92 -4.859 -5.504 1.860 744 H ALA 93 H ALA 93 -4.317 -6.893 -0.557 745 HA ALA 93 HA ALA 93 -6.856 -6.885 -1.886 746 HB1 ALA 93 3HB ALA 93 -4.060 -6.753 -3.067 747 HB2 ALA 93 1HB ALA 93 -5.045 -5.376 -2.570 748 HB3 ALA 93 2HB ALA 93 -5.564 -6.387 -3.919 749 H LEU 94 H LEU 94 -4.006 -9.044 -2.017 750 HA LEU 94 HA LEU 94 -5.010 -10.969 -3.803 751 HB2 LEU 94 2HB LEU 94 -2.925 -11.207 -1.602 752 HB3 LEU 94 3HB LEU 94 -3.282 -12.516 -2.723 753 HG LEU 94 HG LEU 94 -2.209 -9.779 -3.516 754 HD11 LEU 94 1HD1 LEU 94 -0.526 -11.068 -2.306 755 HD12 LEU 94 2HD1 LEU 94 -0.095 -10.920 -4.006 756 HD13 LEU 94 3HD1 LEU 94 -0.755 -12.441 -3.395 757 HD21 LEU 94 3HD2 LEU 94 -1.899 -10.750 -5.759 758 HD22 LEU 94 1HD2 LEU 94 -3.597 -10.712 -5.290 759 HD23 LEU 94 2HD2 LEU 94 -2.702 -12.233 -5.237 760 H GLU 95 H GLU 95 -5.343 -10.582 -0.328 761 HA GLU 95 HA GLU 95 -6.613 -12.979 0.373 762 HB2 GLU 95 2HB GLU 95 -5.771 -11.305 1.984 763 HB3 GLU 95 3HB GLU 95 -7.020 -10.171 1.482 764 HG2 GLU 95 2HG GLU 95 -8.752 -11.745 2.338 765 HG3 GLU 95 3HG GLU 95 -7.467 -12.828 2.873 766 H ALA 96 H ALA 96 -7.855 -10.040 -1.152 767 HA ALA 96 HA ALA 96 -10.639 -10.929 -1.151 768 HB1 ALA 96 3HB ALA 96 -10.118 -8.530 -0.900 769 HB2 ALA 96 1HB ALA 96 -11.079 -8.822 -2.351 770 HB3 ALA 96 2HB ALA 96 -9.344 -8.518 -2.485 771 H MET 97 H MET 97 -7.844 -11.482 -3.062 772 HA MET 97 HA MET 97 -9.351 -12.155 -5.519 773 HB2 MET 97 2HB MET 97 -6.339 -12.075 -4.996 774 HB3 MET 97 3HB MET 97 -7.092 -12.433 -6.549 775 HG2 MET 97 2HG MET 97 -7.255 -9.819 -5.048 776 HG3 MET 97 3HG MET 97 -6.288 -10.140 -6.490 777 HE1 MET 97 3HE MET 97 -9.276 -7.705 -7.544 778 HE2 MET 97 1HE MET 97 -7.537 -7.809 -7.278 779 HE3 MET 97 2HE MET 97 -8.642 -7.808 -5.902 780 H LYS 98 H LYS 98 -8.627 -13.561 -2.662 781 HA LYS 98 HA LYS 98 -8.671 -15.632 -1.796 782 HB2 LYS 98 2HB LYS 98 -9.256 -16.587 -4.633 783 HB3 LYS 98 3HB LYS 98 -9.397 -17.580 -3.188 784 HG2 LYS 98 2HG LYS 98 -11.035 -15.076 -3.724 785 HG3 LYS 98 3HG LYS 98 -11.586 -16.721 -4.038 786 HD2 LYS 98 2HD LYS 98 -10.797 -15.642 -1.304 787 HD3 LYS 98 3HD LYS 98 -12.456 -15.785 -1.886 788 HE2 LYS 98 2HE LYS 98 -10.528 -18.104 -1.487 789 HE3 LYS 98 3HE LYS 98 -11.833 -17.658 -0.390 790 HZ1 LYS 98 3HZ LYS 98 -12.149 -18.587 -3.193 791 HZ2 LYS 98 1HZ LYS 98 -13.411 -18.097 -2.181 792 HZ3 LYS 98 2HZ LYS 98 -12.501 -19.459 -1.796 793 H ASP 99 H ASP 99 -6.229 -14.461 -3.428 794 HA ASP 99 HA ASP 99 -4.604 -16.857 -3.811 795 HB2 ASP 99 2HB ASP 99 -4.076 -13.887 -4.289 796 HB3 ASP 99 3HB ASP 99 -2.814 -15.105 -4.447 797 H TYR 100 H TYR 100 -5.371 -16.734 -1.237 798 HA TYR 100 HA TYR 100 -3.795 -15.525 0.672 799 HB2 TYR 100 2HB TYR 100 -4.765 -18.413 0.790 800 HB3 TYR 100 3HB TYR 100 -4.457 -17.342 2.160 801 HD1 TYR 100 HD1 TYR 100 -5.800 -14.886 1.602 802 HD2 TYR 100 HD2 TYR 100 -7.067 -18.834 0.596 803 HE1 TYR 100 HE1 TYR 100 -8.122 -14.141 1.515 804 HE2 TYR 100 HE2 TYR 100 -9.396 -18.072 0.529 805 HH TYR 100 HH TYR 100 -10.218 -14.745 0.571 806 H THR 101 H THR 101 -3.126 -18.343 -1.291 807 HA THR 101 HA THR 101 -0.789 -19.361 -0.180 808 HB THR 101 HB THR 101 -0.309 -20.150 -2.567 809 HG1 THR 101 HG1 THR 101 -1.691 -19.542 -4.180 810 HG21 THR 101 3HG2 THR 101 -3.133 -20.622 -1.528 811 HG22 THR 101 1HG2 THR 101 -1.690 -21.517 -1.049 812 HG23 THR 101 2HG2 THR 101 -2.286 -21.630 -2.704 813 H LYS 102 H LYS 102 -1.253 -16.579 -2.358 814 HA LYS 102 HA LYS 102 1.634 -16.153 -2.632 815 HB2 LYS 102 2HB LYS 102 -0.730 -14.606 -3.768 816 HB3 LYS 102 3HB LYS 102 0.958 -14.235 -4.099 817 HG2 LYS 102 2HG LYS 102 -0.471 -16.802 -4.862 818 HG3 LYS 102 3HG LYS 102 -0.119 -15.459 -5.944 819 HD2 LYS 102 2HD LYS 102 1.637 -16.896 -6.480 820 HD3 LYS 102 3HD LYS 102 2.408 -15.928 -5.228 821 HE2 LYS 102 2HE LYS 102 1.876 -17.726 -3.572 822 HE3 LYS 102 3HE LYS 102 1.192 -18.695 -4.872 823 HZ1 LYS 102 3HZ LYS 102 4.017 -17.790 -4.685 824 HZ2 LYS 102 1HZ LYS 102 3.364 -18.719 -5.935 825 HZ3 LYS 102 2HZ LYS 102 3.455 -19.349 -4.372 826 H ALA 103 H ALA 103 -1.156 -14.742 -1.035 827 HA ALA 103 HA ALA 103 -0.086 -12.336 -0.115 828 HB1 ALA 103 3HB ALA 103 -1.909 -12.349 1.537 829 HB2 ALA 103 1HB ALA 103 -2.211 -14.060 1.210 830 HB3 ALA 103 2HB ALA 103 -2.490 -12.854 -0.049 831 H MET 104 H MET 104 -0.008 -15.582 1.321 832 HA MET 104 HA MET 104 1.145 -14.839 3.815 833 HB2 MET 104 2HB MET 104 1.453 -17.218 4.209 834 HB3 MET 104 3HB MET 104 -0.121 -16.939 3.490 835 HG2 MET 104 2HG MET 104 0.758 -17.696 1.304 836 HG3 MET 104 3HG MET 104 2.320 -18.011 2.062 837 HE1 MET 104 3HE MET 104 -1.526 -20.348 3.193 838 HE2 MET 104 1HE MET 104 -1.509 -19.092 1.952 839 HE3 MET 104 2HE MET 104 -1.268 -18.666 3.648 840 H ASP 105 H ASP 105 2.549 -15.572 0.683 841 HA ASP 105 HA ASP 105 5.279 -15.656 1.659 842 HB2 ASP 105 2HB ASP 105 4.080 -15.479 -1.136 843 HB3 ASP 105 3HB ASP 105 5.819 -15.375 -0.865 844 H VAL 106 H VAL 106 3.001 -13.170 0.821 845 HA VAL 106 HA VAL 106 4.999 -11.095 0.342 846 HB VAL 106 HB VAL 106 1.964 -10.856 0.722 847 HG11 VAL 106 1HG1 VAL 106 2.210 -8.622 -0.298 848 HG12 VAL 106 2HG1 VAL 106 3.965 -8.824 -0.338 849 HG13 VAL 106 3HG1 VAL 106 3.117 -8.742 1.209 850 HG21 VAL 106 3HG2 VAL 106 1.842 -10.642 -1.729 851 HG22 VAL 106 1HG2 VAL 106 2.570 -12.183 -1.284 852 HG23 VAL 106 2HG2 VAL 106 3.590 -10.867 -1.860 853 H TYR 107 H TYR 107 2.932 -12.262 2.931 854 HA TYR 107 HA TYR 107 3.352 -10.352 4.945 855 HB2 TYR 107 2HB TYR 107 1.767 -11.789 5.800 856 HB3 TYR 107 3HB TYR 107 2.244 -13.085 4.721 857 HD1 TYR 107 HD2 TYR 107 2.888 -11.586 8.080 858 HD2 TYR 107 HD1 TYR 107 3.580 -14.936 5.539 859 HE1 TYR 107 HE2 TYR 107 3.762 -12.866 9.973 860 HE2 TYR 107 HE1 TYR 107 4.461 -16.214 7.439 861 HH TYR 107 HH TYR 107 5.480 -15.721 9.692 862 H GLN 108 H GLN 108 5.098 -13.320 4.150 863 HA GLN 108 HA GLN 108 7.065 -13.358 6.112 864 HB2 GLN 108 2HB GLN 108 6.361 -15.157 4.378 865 HB3 GLN 108 3HB GLN 108 7.426 -14.345 3.247 866 HG2 GLN 108 2HG GLN 108 8.351 -15.484 5.890 867 HG3 GLN 108 3HG GLN 108 8.371 -16.393 4.383 868 HE21 GLN 108 1HE2 GLN 108 9.782 -13.753 6.142 869 HE22 GLN 108 2HE2 GLN 108 11.192 -13.584 5.155 870 H LYS 109 H LYS 109 7.188 -12.067 2.783 871 HA LYS 109 HA LYS 109 9.818 -11.047 2.963 872 HB2 LYS 109 2HB LYS 109 7.568 -10.441 1.006 873 HB3 LYS 109 3HB LYS 109 9.204 -9.804 0.828 874 HG2 LYS 109 2HG LYS 109 8.382 -12.722 0.804 875 HG3 LYS 109 3HG LYS 109 8.919 -11.771 -0.579 876 HD2 LYS 109 2HD LYS 109 10.614 -12.523 1.840 877 HD3 LYS 109 3HD LYS 109 10.700 -13.267 0.245 878 HE2 LYS 109 2HE LYS 109 11.487 -11.170 -0.740 879 HE3 LYS 109 3HE LYS 109 11.283 -10.336 0.803 880 HZ1 LYS 109 3HZ LYS 109 13.196 -12.545 0.264 881 HZ2 LYS 109 1HZ LYS 109 12.984 -11.778 1.756 882 HZ3 LYS 109 2HZ LYS 109 13.583 -10.911 0.440 883 H ALA 110 H ALA 110 6.696 -9.606 3.731 884 HA ALA 110 HA ALA 110 7.578 -6.903 3.962 885 HB1 ALA 110 3HB ALA 110 5.256 -8.247 5.392 886 HB2 ALA 110 1HB ALA 110 5.188 -7.531 3.780 887 HB3 ALA 110 2HB ALA 110 5.500 -6.510 5.183 888 H LEU 111 H LEU 111 7.224 -9.543 6.383 889 HA LEU 111 HA LEU 111 8.378 -8.168 8.585 890 HB2 LEU 111 2HB LEU 111 8.330 -11.135 7.944 891 HB3 LEU 111 3HB LEU 111 8.923 -10.484 9.466 892 HG LEU 111 HG LEU 111 6.056 -10.302 8.452 893 HD11 LEU 111 1HD1 LEU 111 5.546 -11.853 10.278 894 HD12 LEU 111 2HD1 LEU 111 7.252 -11.920 10.732 895 HD13 LEU 111 3HD1 LEU 111 6.726 -12.559 9.170 896 HD21 LEU 111 3HD2 LEU 111 6.611 -8.306 9.758 897 HD22 LEU 111 1HD2 LEU 111 7.236 -9.308 11.073 898 HD23 LEU 111 2HD2 LEU 111 5.519 -9.351 10.660 899 H ASP 112 H ASP 112 9.775 -9.887 5.871 900 HA ASP 112 HA ASP 112 12.433 -10.156 6.879 901 HB2 ASP 112 2HB ASP 112 11.473 -11.620 5.099 902 HB3 ASP 112 3HB ASP 112 11.426 -10.251 3.993 903 H LEU 113 H LEU 113 10.683 -7.628 5.219 904 HA LEU 113 HA LEU 113 12.952 -5.946 4.656 905 HB2 LEU 113 2HB LEU 113 9.998 -5.227 4.907 906 HB3 LEU 113 3HB LEU 113 11.251 -4.144 4.320 907 HG LEU 113 HG LEU 113 10.272 -6.676 2.952 908 HD11 LEU 113 1HD1 LEU 113 9.981 -3.770 2.149 909 HD12 LEU 113 2HD1 LEU 113 8.702 -4.827 2.753 910 HD13 LEU 113 3HD1 LEU 113 9.456 -5.164 1.198 911 HD21 LEU 113 3HD2 LEU 113 11.767 -6.082 1.084 912 HD22 LEU 113 1HD2 LEU 113 12.652 -6.481 2.556 913 HD23 LEU 113 2HD2 LEU 113 12.472 -4.792 2.064 914 H ASP 114 H ASP 114 10.554 -6.211 7.271 915 HA ASP 114 HA ASP 114 12.281 -5.074 9.249 916 HB2 ASP 114 2HB ASP 114 11.670 -2.950 8.276 917 HB3 ASP 114 3HB ASP 114 9.966 -3.382 8.215 918 H SER 115 H SER 115 11.718 -5.805 11.200 919 HA SER 115 HA SER 115 9.824 -7.832 11.561 920 HB2 SER 115 2HB SER 115 11.912 -7.544 12.902 921 HB3 SER 115 3HB SER 115 11.179 -6.167 13.732 922 HG SER 115 HG SER 115 9.921 -7.504 14.844 923 H SER 116 H SER 116 9.662 -4.362 12.360 924 HA SER 116 HA SER 116 7.195 -4.484 13.816 925 HB2 SER 116 2HB SER 116 8.893 -2.684 14.154 926 HB3 SER 116 3HB SER 116 8.560 -2.082 12.536 927 HG SER 116 HG SER 116 6.511 -1.501 13.188 928 H CYS 117 H CYS 117 7.614 -5.160 10.613 929 HA CYS 117 HA CYS 117 5.055 -4.132 9.716 930 HB2 CYS 117 2HB CYS 117 6.962 -4.721 8.145 931 HB3 CYS 117 3HB CYS 117 6.644 -6.422 8.493 932 HG CYS 117 HG CYS 117 4.186 -6.530 7.323 933 H LYS 118 H LYS 118 5.642 -6.133 12.192 934 HA LYS 118 HA LYS 118 4.160 -8.349 12.211 935 HB2 LYS 118 2HB LYS 118 3.813 -6.073 14.202 936 HB3 LYS 118 3HB LYS 118 3.303 -7.731 14.489 937 HG2 LYS 118 2HG LYS 118 6.158 -6.830 14.038 938 HG3 LYS 118 3HG LYS 118 5.433 -7.156 15.610 939 HD2 LYS 118 2HD LYS 118 5.810 -9.209 13.386 940 HD3 LYS 118 3HD LYS 118 6.843 -9.033 14.806 941 HE2 LYS 118 2HE LYS 118 4.859 -9.535 16.258 942 HE3 LYS 118 3HE LYS 118 3.911 -9.832 14.799 943 HZ1 LYS 118 3HZ LYS 118 6.345 -11.339 15.605 944 HZ2 LYS 118 1HZ LYS 118 5.422 -11.626 14.221 945 HZ3 LYS 118 2HZ LYS 118 4.755 -11.896 15.750 946 H GLU 119 H GLU 119 2.682 -5.246 11.459 947 HA GLU 119 HA GLU 119 -0.025 -5.657 11.740 948 HB2 GLU 119 2HB GLU 119 -0.274 -4.144 9.718 949 HB3 GLU 119 3HB GLU 119 0.835 -3.535 10.944 950 HG2 GLU 119 2HG GLU 119 2.757 -4.405 9.570 951 HG3 GLU 119 3HG GLU 119 1.590 -4.862 8.325 952 H ALA 120 H ALA 120 2.065 -6.822 9.095 953 HA ALA 120 HA ALA 120 0.007 -8.222 7.661 954 HB1 ALA 120 3HB ALA 120 1.870 -9.120 6.313 955 HB2 ALA 120 1HB ALA 120 3.035 -8.453 7.468 956 HB3 ALA 120 2HB ALA 120 2.009 -7.375 6.522 957 H ALA 121 H ALA 121 1.991 -8.965 10.437 958 HA ALA 121 HA ALA 121 1.928 -11.858 10.152 959 HB1 ALA 121 3HB ALA 121 3.809 -10.781 11.297 960 HB2 ALA 121 1HB ALA 121 2.969 -11.888 12.386 961 HB3 ALA 121 2HB ALA 121 2.721 -10.143 12.529 962 H ASP 122 H ASP 122 0.204 -9.395 11.970 963 HA ASP 122 HA ASP 122 -1.501 -11.137 13.452 964 HB2 ASP 122 2HB ASP 122 -0.979 -8.725 14.036 965 HB3 ASP 122 3HB ASP 122 -1.963 -8.219 12.666 966 H GLY 123 H GLY 123 -1.692 -9.417 10.369 967 HA2 GLY 123 2HA GLY 123 -4.323 -10.241 9.612 968 HA3 GLY 123 3HA GLY 123 -3.090 -9.575 8.549 969 H TYR 124 H TYR 124 -1.137 -11.710 9.295 970 HA TYR 124 HA TYR 124 -1.538 -13.527 7.242 971 HB2 TYR 124 2HB TYR 124 0.661 -13.252 8.137 972 HB3 TYR 124 3HB TYR 124 0.156 -13.747 9.748 973 HD1 TYR 124 HD1 TYR 124 -0.139 -15.281 6.291 974 HD2 TYR 124 HD2 TYR 124 1.137 -15.802 10.337 975 HE1 TYR 124 HE1 TYR 124 0.572 -17.575 5.788 976 HE2 TYR 124 HE2 TYR 124 1.840 -18.097 9.828 977 HH TYR 124 HH TYR 124 2.118 -19.257 6.649 978 H GLN 125 H GLN 125 -2.045 -14.105 10.739 979 HA GLN 125 HA GLN 125 -2.933 -16.712 10.712 980 HB2 GLN 125 2HB GLN 125 -3.525 -14.363 12.507 981 HB3 GLN 125 3HB GLN 125 -4.472 -15.824 12.742 982 HG2 GLN 125 2HG GLN 125 -2.512 -15.652 14.248 983 HG3 GLN 125 3HG GLN 125 -2.508 -17.108 13.257 984 HE21 GLN 125 1HE2 GLN 125 -0.956 -13.993 13.739 985 HE22 GLN 125 2HE2 GLN 125 0.460 -14.355 12.829 986 H ARG 126 H ARG 126 -4.827 -13.803 9.984 987 HA ARG 126 HA ARG 126 -7.318 -15.135 9.507 988 HB2 ARG 126 2HB ARG 126 -7.421 -12.810 10.006 989 HB3 ARG 126 3HB ARG 126 -6.207 -12.402 8.799 990 HG2 ARG 126 2HG ARG 126 -7.773 -12.884 6.996 991 HG3 ARG 126 3HG ARG 126 -9.004 -13.402 8.148 992 HD2 ARG 126 2HD ARG 126 -9.412 -11.197 8.882 993 HD3 ARG 126 3HD ARG 126 -7.844 -10.617 8.318 994 HE ARG 126 HE ARG 126 -8.656 -10.418 6.171 995 HH11 ARG 126 1HH1 ARG 126 -11.186 -11.780 8.195 996 HH12 ARG 126 2HH1 ARG 126 -12.429 -11.493 7.021 997 HH21 ARG 126 1HH2 ARG 126 -10.253 -10.090 4.639 998 HH22 ARG 126 2HH2 ARG 126 -11.902 -10.534 4.996 999 H CYS 127 H CYS 127 -4.550 -14.207 7.413 1000 HA CYS 127 HA CYS 127 -5.905 -14.495 4.919 1001 HB2 CYS 127 2HB CYS 127 -2.924 -14.569 5.535 1002 HB3 CYS 127 3HB CYS 127 -3.614 -14.423 3.918 1003 HG CYS 127 HG CYS 127 -4.950 -12.078 5.726 1004 H MET 128 H MET 128 -3.602 -16.625 6.617 1005 HA MET 128 HA MET 128 -3.722 -18.754 4.750 1006 HB2 MET 128 2HB MET 128 -2.612 -20.116 6.533 1007 HB3 MET 128 3HB MET 128 -1.800 -18.595 6.196 1008 HG2 MET 128 2HG MET 128 -2.589 -17.622 8.228 1009 HG3 MET 128 3HG MET 128 -3.700 -18.961 8.516 1010 HE1 MET 128 3HE MET 128 -2.086 -21.550 7.938 1011 HE2 MET 128 1HE MET 128 -3.019 -21.301 9.417 1012 HE3 MET 128 2HE MET 128 -1.351 -21.873 9.507 1013 H MET 129 H MET 129 -5.517 -18.157 7.800 1014 HA MET 129 HA MET 129 -6.869 -20.693 7.688 1015 HB2 MET 129 2HB MET 129 -7.987 -20.117 9.656 1016 HB3 MET 129 3HB MET 129 -6.474 -19.240 9.809 1017 HG2 MET 129 2HG MET 129 -7.615 -17.168 9.098 1018 HG3 MET 129 3HG MET 129 -9.131 -18.065 8.955 1019 HE1 MET 129 3HE MET 129 -9.844 -15.939 12.116 1020 HE2 MET 129 1HE MET 129 -10.447 -16.473 10.548 1021 HE3 MET 129 2HE MET 129 -9.011 -15.446 10.642 1022 H ALA 130 H ALA 130 -7.368 -17.677 6.108 1023 HA ALA 130 HA ALA 130 -10.168 -17.599 5.868 1024 HB1 ALA 130 3HB ALA 130 -8.122 -16.508 3.924 1025 HB2 ALA 130 1HB ALA 130 -8.728 -15.686 5.363 1026 HB3 ALA 130 2HB ALA 130 -9.823 -16.036 4.025 1027 H GLN 131 H GLN 131 -7.825 -19.510 4.169 1028 HA GLN 131 HA GLN 131 -9.882 -20.680 2.414 1029 HB2 GLN 131 2HB GLN 131 -7.890 -22.111 1.593 1030 HB3 GLN 131 3HB GLN 131 -7.870 -20.398 1.194 1031 HG2 GLN 131 2HG GLN 131 -6.276 -19.957 2.972 1032 HG3 GLN 131 3HG GLN 131 -6.340 -21.638 3.488 1033 HE21 GLN 131 1HE2 GLN 131 -3.993 -20.228 2.748 1034 HE22 GLN 131 2HE2 GLN 131 -3.329 -21.028 1.365 1035 H TYR 132 H TYR 132 -8.005 -21.373 5.326 1036 HA TYR 132 HA TYR 132 -8.965 -24.157 5.466 1037 HB2 TYR 132 2HB TYR 132 -7.207 -22.697 7.497 1038 HB3 TYR 132 3HB TYR 132 -7.418 -24.435 7.325 1039 HD1 TYR 132 HD1 TYR 132 -7.059 -24.302 4.146 1040 HD2 TYR 132 HD2 TYR 132 -4.784 -22.822 7.449 1041 HE1 TYR 132 HE1 TYR 132 -5.034 -24.375 2.779 1042 HE2 TYR 132 HE2 TYR 132 -2.753 -22.910 6.073 1043 HH TYR 132 HH TYR 132 -1.914 -24.056 4.089 1044 H ASN 133 H ASN 133 -10.972 -22.053 5.690 1045 HA ASN 133 HA ASN 133 -11.778 -22.029 8.510 1046 HB2 ASN 133 2HB ASN 133 -12.954 -20.683 6.040 1047 HB3 ASN 133 3HB ASN 133 -13.797 -20.696 7.579 1048 HD21 ASN 133 1HD2 ASN 133 -11.356 -20.319 9.194 1049 HD22 ASN 133 2HD2 ASN 133 -10.874 -18.690 8.926 Start of MODEL 7 1 H1 MET 1 1H MET 1 13.236 17.903 15.247 2 H2 MET 1 2H MET 1 13.690 19.021 16.422 3 H3 MET 1 3H MET 1 14.301 17.448 16.473 4 HA MET 1 HA MET 1 15.934 19.012 15.656 5 HB2 MET 1 2HB MET 1 15.987 16.657 14.875 6 HB3 MET 1 3HB MET 1 14.920 17.065 13.540 7 HG2 MET 1 2HG MET 1 16.668 18.554 12.618 8 HG3 MET 1 3HG MET 1 17.735 18.104 13.947 9 HE1 MET 1 3HE MET 1 16.336 15.126 10.682 10 HE2 MET 1 1HE MET 1 15.884 16.830 10.686 11 HE3 MET 1 2HE MET 1 15.242 15.744 11.918 12 H GLY 2 H GLY 2 15.607 21.129 15.249 13 HA2 GLY 2 2HA GLY 2 14.196 21.942 12.756 14 HA3 GLY 2 3HA GLY 2 14.315 22.919 14.213 15 H HIS 3 H HIS 3 16.174 21.526 11.558 16 HA HIS 3 HA HIS 3 18.564 23.036 12.049 17 HB2 HIS 3 2HB HIS 3 17.631 21.578 9.540 18 HB3 HIS 3 3HB HIS 3 19.204 22.348 9.697 19 HD1 HIS 3 HD1 HIS 3 18.358 19.203 9.333 20 HD2 HIS 3 HD2 HIS 3 20.059 21.086 12.630 21 HE1 HIS 3 HE1 HIS 3 19.602 17.404 10.559 22 HE2 HIS 3 HE2 HIS 3 20.482 18.536 12.632 23 H HIS 4 H HIS 4 18.006 25.180 12.241 24 HA HIS 4 HA HIS 4 16.555 26.720 10.324 25 HB2 HIS 4 2HB HIS 4 18.667 27.673 12.320 26 HB3 HIS 4 3HB HIS 4 17.500 28.696 11.489 27 HD1 HIS 4 HD1 HIS 4 14.957 28.391 12.221 28 HD2 HIS 4 HD2 HIS 4 17.751 26.520 14.660 29 HE1 HIS 4 HE1 HIS 4 13.721 27.777 14.315 30 HE2 HIS 4 HE2 HIS 4 15.380 26.467 15.676 31 H HIS 5 H HIS 5 17.225 26.959 8.254 32 HA HIS 5 HA HIS 5 20.140 27.081 7.667 33 HB2 HIS 5 2HB HIS 5 19.704 25.882 5.569 34 HB3 HIS 5 3HB HIS 5 19.185 24.935 6.952 35 HD1 HIS 5 HD1 HIS 5 17.747 26.985 4.101 36 HD2 HIS 5 HD2 HIS 5 16.553 24.104 6.849 37 HE1 HIS 5 HE1 HIS 5 15.435 26.307 3.404 38 HE2 HIS 5 HE2 HIS 5 14.681 24.691 5.173 39 H HIS 6 H HIS 6 18.138 29.285 8.106 40 HA HIS 6 HA HIS 6 17.650 30.618 5.660 41 HB2 HIS 6 2HB HIS 6 17.275 32.645 6.926 42 HB3 HIS 6 3HB HIS 6 16.617 31.303 7.844 43 HD1 HIS 6 HD1 HIS 6 17.491 30.981 10.220 44 HD2 HIS 6 HD2 HIS 6 19.658 33.810 8.081 45 HE1 HIS 6 HE1 HIS 6 18.984 32.107 11.898 46 HE2 HIS 6 HE2 HIS 6 20.146 33.924 10.603 47 H HIS 7 H HIS 7 20.539 30.190 7.479 48 HA HIS 7 HA HIS 7 22.169 32.263 6.393 49 HB2 HIS 7 2HB HIS 7 22.589 31.104 8.567 50 HB3 HIS 7 3HB HIS 7 22.933 29.609 7.708 51 HD1 HIS 7 HD1 HIS 7 25.373 29.234 7.902 52 HD2 HIS 7 HD2 HIS 7 24.507 33.239 7.228 53 HE1 HIS 7 HE1 HIS 7 27.596 30.391 7.771 54 HE2 HIS 7 HE2 HIS 7 27.030 32.829 7.542 55 H HIS 8 H HIS 8 21.596 28.859 5.538 56 HA HIS 8 HA HIS 8 23.341 29.097 3.159 57 HB2 HIS 8 2HB HIS 8 23.831 27.164 4.590 58 HB3 HIS 8 3HB HIS 8 22.155 26.630 4.504 59 HD1 HIS 8 HD1 HIS 8 21.724 24.880 2.785 60 HD2 HIS 8 HD2 HIS 8 25.092 27.126 1.843 61 HE1 HIS 8 HE1 HIS 8 22.670 23.835 0.708 62 HE2 HIS 8 HE2 HIS 8 24.799 25.101 0.275 63 H SER 9 H SER 9 22.228 29.942 1.534 64 HA SER 9 HA SER 9 19.502 30.126 1.200 65 HB2 SER 9 2HB SER 9 21.679 30.283 -0.917 66 HB3 SER 9 3HB SER 9 20.033 30.899 -1.098 67 HG SER 9 HG SER 9 21.979 32.275 -0.230 68 H HIS 10 H HIS 10 18.284 28.385 1.238 69 HA HIS 10 HA HIS 10 18.176 26.600 -1.058 70 HB2 HIS 10 2HB HIS 10 19.586 25.410 0.701 71 HB3 HIS 10 3HB HIS 10 18.224 25.508 1.811 72 HD1 HIS 10 HD1 HIS 10 19.245 23.863 -1.452 73 HD2 HIS 10 HD2 HIS 10 16.380 23.445 1.527 74 HE1 HIS 10 HE1 HIS 10 18.040 21.731 -1.975 75 HE2 HIS 10 HE2 HIS 10 16.265 21.533 -0.212 76 H MET 11 H MET 11 16.447 28.052 -1.460 77 HA MET 11 HA MET 11 14.684 29.122 0.397 78 HB2 MET 11 2HB MET 11 13.378 29.931 -1.536 79 HB3 MET 11 3HB MET 11 15.101 30.165 -1.747 80 HG2 MET 11 2HG MET 11 15.145 28.134 -3.211 81 HG3 MET 11 3HG MET 11 13.388 28.065 -3.084 82 HE1 MET 11 3HE MET 11 15.632 31.599 -5.086 83 HE2 MET 11 1HE MET 11 16.470 30.215 -4.387 84 HE3 MET 11 2HE MET 11 15.623 31.355 -3.340 85 H ASN 12 H ASN 12 14.219 26.273 -1.608 86 HA ASN 12 HA ASN 12 11.899 25.477 0.078 87 HB2 ASN 12 2HB ASN 12 12.488 24.726 -2.832 88 HB3 ASN 12 3HB ASN 12 11.248 23.954 -1.851 89 HD21 ASN 12 1HD2 ASN 12 12.176 26.883 -3.495 90 HD22 ASN 12 2HD2 ASN 12 10.621 27.634 -3.461 91 HA PRO 13 HA PRO 13 14.844 22.155 1.367 92 HB2 PRO 13 2HB PRO 13 12.255 20.999 2.393 93 HB3 PRO 13 3HB PRO 13 13.810 21.195 3.229 94 HG2 PRO 13 2HG PRO 13 11.775 22.810 3.791 95 HG3 PRO 13 3HG PRO 13 13.436 23.441 3.714 96 HD2 PRO 13 2HD PRO 13 11.220 23.704 1.690 97 HD3 PRO 13 3HD PRO 13 12.449 24.893 2.182 98 H ASP 14 H ASP 14 11.578 21.587 0.079 99 HA ASP 14 HA ASP 14 12.381 20.362 -2.314 100 HB2 ASP 14 2HB ASP 14 12.981 18.379 -1.068 101 HB3 ASP 14 3HB ASP 14 11.505 18.450 -0.105 102 H LEU 15 H LEU 15 10.790 21.086 -3.608 103 HA LEU 15 HA LEU 15 8.296 22.063 -2.773 104 HB2 LEU 15 2HB LEU 15 9.092 21.112 -5.558 105 HB3 LEU 15 3HB LEU 15 7.639 22.023 -5.190 106 HG LEU 15 HG LEU 15 9.335 23.838 -4.258 107 HD11 LEU 15 1HD1 LEU 15 11.366 22.544 -4.409 108 HD12 LEU 15 2HD1 LEU 15 11.459 23.956 -5.452 109 HD13 LEU 15 3HD1 LEU 15 11.161 22.360 -6.151 110 HD21 LEU 15 3HD2 LEU 15 8.967 23.425 -7.242 111 HD22 LEU 15 1HD2 LEU 15 9.420 24.942 -6.453 112 HD23 LEU 15 2HD2 LEU 15 7.837 24.232 -6.151 113 H ALA 16 H ALA 16 9.270 18.881 -3.875 114 HA ALA 16 HA ALA 16 6.732 17.712 -4.276 115 HB1 ALA 16 3HB ALA 16 7.927 15.576 -4.299 116 HB2 ALA 16 1HB ALA 16 9.352 16.350 -3.602 117 HB3 ALA 16 2HB ALA 16 8.808 16.794 -5.220 118 H LEU 17 H LEU 17 8.439 18.429 -1.295 119 HA LEU 17 HA LEU 17 6.993 16.443 0.263 120 HB2 LEU 17 2HB LEU 17 8.333 16.988 2.055 121 HB3 LEU 17 3HB LEU 17 9.371 17.435 0.725 122 HG LEU 17 HG LEU 17 8.337 19.889 1.187 123 HD11 LEU 17 1HD1 LEU 17 7.994 20.339 3.576 124 HD12 LEU 17 2HD1 LEU 17 8.136 18.615 3.935 125 HD13 LEU 17 3HD1 LEU 17 6.787 19.205 2.965 126 HD21 LEU 17 3HD2 LEU 17 10.551 18.678 2.873 127 HD22 LEU 17 1HD2 LEU 17 10.277 20.406 2.609 128 HD23 LEU 17 2HD2 LEU 17 10.723 19.367 1.258 129 H MET 18 H MET 18 6.352 19.585 -0.928 130 HA MET 18 HA MET 18 4.710 20.547 1.247 131 HB2 MET 18 2HB MET 18 4.743 21.558 -1.638 132 HB3 MET 18 3HB MET 18 4.202 22.436 -0.209 133 HG2 MET 18 2HG MET 18 7.051 21.608 -0.822 134 HG3 MET 18 3HG MET 18 6.392 23.235 -0.946 135 HE1 MET 18 3HE MET 18 9.086 22.480 0.709 136 HE2 MET 18 1HE MET 18 8.838 23.499 2.124 137 HE3 MET 18 2HE MET 18 8.447 24.116 0.516 138 H VAL 19 H VAL 19 4.136 18.976 -1.851 139 HA VAL 19 HA VAL 19 1.291 19.248 -1.852 140 HB VAL 19 HB VAL 19 2.547 19.080 -3.947 141 HG11 VAL 19 1HG1 VAL 19 4.344 17.574 -3.269 142 HG12 VAL 19 2HG1 VAL 19 3.548 16.970 -4.724 143 HG13 VAL 19 3HG1 VAL 19 3.207 16.227 -3.159 144 HG21 VAL 19 3HG2 VAL 19 1.120 17.483 -5.160 145 HG22 VAL 19 1HG2 VAL 19 0.182 18.398 -3.976 146 HG23 VAL 19 2HG2 VAL 19 0.645 16.728 -3.636 147 H LYS 20 H LYS 20 3.493 16.754 -0.635 148 HA LYS 20 HA LYS 20 1.506 14.686 -0.446 149 HB2 LYS 20 2HB LYS 20 3.162 13.345 0.654 150 HB3 LYS 20 3HB LYS 20 3.971 14.234 -0.628 151 HG2 LYS 20 2HG LYS 20 4.890 15.813 1.038 152 HG3 LYS 20 3HG LYS 20 4.055 14.941 2.324 153 HD2 LYS 20 2HD LYS 20 6.388 14.256 2.302 154 HD3 LYS 20 3HD LYS 20 5.397 12.899 1.771 155 HE2 LYS 20 2HE LYS 20 5.966 13.486 -0.594 156 HE3 LYS 20 3HE LYS 20 7.035 14.754 0.023 157 HZ1 LYS 20 3HZ LYS 20 7.319 11.847 0.586 158 HZ2 LYS 20 1HZ LYS 20 8.341 13.067 1.144 159 HZ3 LYS 20 2HZ LYS 20 8.255 12.735 -0.510 160 H ASN 21 H ASN 21 2.618 17.242 1.691 161 HA ASN 21 HA ASN 21 1.538 16.253 4.137 162 HB2 ASN 21 2HB ASN 21 2.382 19.046 3.264 163 HB3 ASN 21 3HB ASN 21 1.745 18.730 4.875 164 HD21 ASN 21 1HD2 ASN 21 4.391 19.666 4.032 165 HD22 ASN 21 2HD2 ASN 21 5.520 18.562 4.730 166 H LYS 22 H LYS 22 0.306 18.641 1.772 167 HA LYS 22 HA LYS 22 -2.209 19.023 3.096 168 HB2 LYS 22 2HB LYS 22 -2.837 20.303 1.103 169 HB3 LYS 22 3HB LYS 22 -1.218 20.736 1.653 170 HG2 LYS 22 2HG LYS 22 -0.383 19.042 -0.134 171 HG3 LYS 22 3HG LYS 22 -2.017 19.160 -0.798 172 HD2 LYS 22 2HD LYS 22 -0.079 21.460 -0.386 173 HD3 LYS 22 3HD LYS 22 -0.459 20.691 -1.921 174 HE2 LYS 22 2HE LYS 22 -2.797 21.484 -1.744 175 HE3 LYS 22 3HE LYS 22 -2.427 22.241 -0.192 176 HZ1 LYS 22 3HZ LYS 22 -2.378 23.842 -2.012 177 HZ2 LYS 22 1HZ LYS 22 -1.165 22.962 -2.792 178 HZ3 LYS 22 2HZ LYS 22 -0.854 23.696 -1.301 179 H GLY 23 H GLY 23 -1.028 16.733 0.728 180 HA2 GLY 23 2HA GLY 23 -3.442 15.559 -0.135 181 HA3 GLY 23 3HA GLY 23 -1.897 14.739 -0.015 182 H ASN 24 H ASN 24 -1.278 14.360 2.426 183 HA ASN 24 HA ASN 24 -3.037 12.552 3.640 184 HB2 ASN 24 2HB ASN 24 -0.544 13.979 4.623 185 HB3 ASN 24 3HB ASN 24 -1.455 12.928 5.705 186 HD21 ASN 24 1HD2 ASN 24 0.622 13.017 2.888 187 HD22 ASN 24 2HD2 ASN 24 0.888 11.316 2.801 188 H GLU 25 H GLU 25 -2.714 16.046 4.065 189 HA GLU 25 HA GLU 25 -4.292 16.284 6.403 190 HB2 GLU 25 2HB GLU 25 -3.215 18.288 6.120 191 HB3 GLU 25 3HB GLU 25 -3.175 18.161 4.370 192 HG2 GLU 25 2HG GLU 25 -5.429 18.998 4.211 193 HG3 GLU 25 3HG GLU 25 -5.620 18.981 5.961 194 H CYS 26 H CYS 26 -5.121 16.467 2.910 195 HA CYS 26 HA CYS 26 -7.851 17.028 3.150 196 HB2 CYS 26 2HB CYS 26 -6.359 15.477 1.017 197 HB3 CYS 26 3HB CYS 26 -8.051 15.948 0.862 198 HG CYS 26 HG CYS 26 -5.898 18.435 1.594 199 H PHE 27 H PHE 27 -6.221 13.858 3.070 200 HA PHE 27 HA PHE 27 -8.430 12.146 3.309 201 HB2 PHE 27 2HB PHE 27 -6.029 11.482 2.825 202 HB3 PHE 27 3HB PHE 27 -5.657 11.729 4.522 203 HD1 PHE 27 HD2 PHE 27 -7.977 9.769 2.298 204 HD2 PHE 27 HD1 PHE 27 -5.786 9.879 5.960 205 HE1 PHE 27 HE2 PHE 27 -8.603 7.432 2.751 206 HE2 PHE 27 HE1 PHE 27 -6.408 7.545 6.411 207 HZ PHE 27 HZ PHE 27 -7.820 6.316 4.807 208 H GLN 28 H GLN 28 -6.471 13.747 5.781 209 HA GLN 28 HA GLN 28 -7.797 12.769 8.096 210 HB2 GLN 28 2HB GLN 28 -5.497 13.623 8.208 211 HB3 GLN 28 3HB GLN 28 -6.016 15.208 7.651 212 HG2 GLN 28 2HG GLN 28 -5.551 15.300 10.023 213 HG3 GLN 28 3HG GLN 28 -7.281 15.520 9.769 214 HE21 GLN 28 1HE2 GLN 28 -8.703 13.858 10.460 215 HE22 GLN 28 2HE2 GLN 28 -8.202 12.621 11.552 216 H LYS 29 H LYS 29 -8.659 15.298 5.773 217 HA LYS 29 HA LYS 29 -10.491 16.663 7.613 218 HB2 LYS 29 2HB LYS 29 -10.541 16.952 4.580 219 HB3 LYS 29 3HB LYS 29 -11.129 18.090 5.784 220 HG2 LYS 29 2HG LYS 29 -8.258 17.442 5.122 221 HG3 LYS 29 3HG LYS 29 -9.108 18.926 4.721 222 HD2 LYS 29 2HD LYS 29 -8.731 18.130 7.619 223 HD3 LYS 29 3HD LYS 29 -7.386 18.846 6.725 224 HE2 LYS 29 2HE LYS 29 -8.565 20.561 7.982 225 HE3 LYS 29 3HE LYS 29 -8.788 20.842 6.257 226 HZ1 LYS 29 3HZ LYS 29 -11.004 19.904 6.423 227 HZ2 LYS 29 1HZ LYS 29 -10.822 21.168 7.527 228 HZ3 LYS 29 2HZ LYS 29 -10.779 19.570 8.065 229 H GLY 30 H GLY 30 -10.526 13.684 6.242 230 HA2 GLY 30 2HA GLY 30 -12.254 12.119 6.466 231 HA3 GLY 30 3HA GLY 30 -13.444 13.414 6.488 232 H ASP 31 H ASP 31 -11.221 13.951 4.056 233 HA ASP 31 HA ASP 31 -13.204 13.143 2.030 234 HB2 ASP 31 2HB ASP 31 -12.499 15.640 2.428 235 HB3 ASP 31 3HB ASP 31 -11.011 15.214 1.595 236 H TYR 32 H TYR 32 -12.571 11.092 1.544 237 HA TYR 32 HA TYR 32 -9.925 10.148 1.264 238 HB2 TYR 32 2HB TYR 32 -12.567 8.952 0.334 239 HB3 TYR 32 3HB TYR 32 -11.025 8.124 0.154 240 HD1 TYR 32 HD1 TYR 32 -12.654 10.016 2.991 241 HD2 TYR 32 HD2 TYR 32 -10.860 6.357 1.702 242 HE1 TYR 32 HE1 TYR 32 -12.942 9.090 5.241 243 HE2 TYR 32 HE2 TYR 32 -11.144 5.422 3.962 244 HH TYR 32 HH TYR 32 -13.095 6.950 6.356 245 HA PRO 33 HA PRO 33 -10.748 10.358 -3.615 246 HB2 PRO 33 2HB PRO 33 -12.265 12.586 -4.421 247 HB3 PRO 33 3HB PRO 33 -12.859 10.915 -4.331 248 HG2 PRO 33 2HG PRO 33 -13.164 13.125 -2.336 249 HG3 PRO 33 3HG PRO 33 -14.345 11.905 -2.864 250 HD2 PRO 33 2HD PRO 33 -13.072 11.633 -0.523 251 HD3 PRO 33 3HD PRO 33 -13.401 10.211 -1.542 252 H GLN 34 H GLN 34 -10.909 13.605 -2.028 253 HA GLN 34 HA GLN 34 -9.201 14.924 -3.852 254 HB2 GLN 34 2HB GLN 34 -10.829 15.959 -2.152 255 HB3 GLN 34 3HB GLN 34 -9.582 15.725 -0.937 256 HG2 GLN 34 2HG GLN 34 -9.587 18.018 -1.762 257 HG3 GLN 34 3HG GLN 34 -8.077 17.212 -2.182 258 HE21 GLN 34 1HE2 GLN 34 -11.195 16.888 -3.862 259 HE22 GLN 34 2HE2 GLN 34 -10.666 17.597 -5.341 260 H ALA 35 H ALA 35 -8.538 13.180 -0.873 261 HA ALA 35 HA ALA 35 -5.838 13.729 -0.461 262 HB1 ALA 35 3HB ALA 35 -5.763 11.580 0.728 263 HB2 ALA 35 1HB ALA 35 -7.303 11.113 -0.011 264 HB3 ALA 35 2HB ALA 35 -7.240 12.462 1.119 265 H MET 36 H MET 36 -7.412 11.309 -2.595 266 HA MET 36 HA MET 36 -4.985 9.943 -3.330 267 HB2 MET 36 2HB MET 36 -7.590 9.976 -4.908 268 HB3 MET 36 3HB MET 36 -6.318 8.766 -4.996 269 HG2 MET 36 2HG MET 36 -6.864 8.047 -2.708 270 HG3 MET 36 3HG MET 36 -8.150 9.257 -2.647 271 HE1 MET 36 3HE MET 36 -10.358 7.899 -5.752 272 HE2 MET 36 1HE MET 36 -8.889 8.835 -6.015 273 HE3 MET 36 2HE MET 36 -10.028 9.314 -4.762 274 H LYS 37 H LYS 37 -6.935 12.527 -4.671 275 HA LYS 37 HA LYS 37 -5.740 12.848 -7.204 276 HB2 LYS 37 2HB LYS 37 -7.037 14.981 -5.435 277 HB3 LYS 37 3HB LYS 37 -6.781 15.098 -7.178 278 HG2 LYS 37 2HG LYS 37 -8.328 13.216 -7.542 279 HG3 LYS 37 3HG LYS 37 -8.555 13.065 -5.799 280 HD2 LYS 37 2HD LYS 37 -9.472 15.426 -5.792 281 HD3 LYS 37 3HD LYS 37 -9.403 15.400 -7.559 282 HE2 LYS 37 2HE LYS 37 -11.029 13.521 -5.805 283 HE3 LYS 37 3HE LYS 37 -11.661 14.864 -6.760 284 HZ1 LYS 37 3HZ LYS 37 -11.987 12.778 -7.898 285 HZ2 LYS 37 1HZ LYS 37 -10.339 12.432 -7.841 286 HZ3 LYS 37 2HZ LYS 37 -10.896 13.728 -8.769 287 H HIS 38 H HIS 38 -5.064 14.338 -4.034 288 HA HIS 38 HA HIS 38 -2.796 15.851 -4.915 289 HB2 HIS 38 2HB HIS 38 -3.748 15.085 -2.144 290 HB3 HIS 38 3HB HIS 38 -2.307 16.059 -2.415 291 HD1 HIS 38 HD1 HIS 38 -5.728 16.482 -1.659 292 HD2 HIS 38 HD2 HIS 38 -3.074 18.419 -4.193 293 HE1 HIS 38 HE1 HIS 38 -6.729 18.734 -2.096 294 HE2 HIS 38 HE2 HIS 38 -5.209 19.800 -3.780 295 H TYR 39 H TYR 39 -3.157 12.523 -3.836 296 HA TYR 39 HA TYR 39 -0.328 12.066 -3.483 297 HB2 TYR 39 2HB TYR 39 -2.566 10.041 -3.936 298 HB3 TYR 39 3HB TYR 39 -0.910 9.633 -3.498 299 HD1 TYR 39 HD2 TYR 39 -0.568 11.963 -1.437 300 HD2 TYR 39 HD1 TYR 39 -3.622 9.022 -2.007 301 HE1 TYR 39 HE2 TYR 39 -1.185 12.149 0.922 302 HE2 TYR 39 HE1 TYR 39 -4.237 9.215 0.367 303 HH TYR 39 HH TYR 39 -3.316 9.915 2.468 304 H THR 40 H THR 40 -2.602 11.847 -6.169 305 HA THR 40 HA THR 40 -0.956 10.358 -7.958 306 HB THR 40 HB THR 40 -3.251 12.264 -8.648 307 HG1 THR 40 HG1 THR 40 -4.410 10.778 -7.695 308 HG21 THR 40 3HG2 THR 40 -1.864 11.644 -10.621 309 HG22 THR 40 1HG2 THR 40 -3.478 10.927 -10.705 310 HG23 THR 40 2HG2 THR 40 -2.093 9.937 -10.234 311 H GLU 41 H GLU 41 -1.557 13.853 -7.502 312 HA GLU 41 HA GLU 41 0.361 14.670 -9.490 313 HB2 GLU 41 2HB GLU 41 -0.048 16.950 -8.675 314 HB3 GLU 41 3HB GLU 41 -1.563 16.090 -8.942 315 HG2 GLU 41 2HG GLU 41 -1.725 15.656 -6.505 316 HG3 GLU 41 3HG GLU 41 -0.239 16.565 -6.262 317 H ALA 42 H ALA 42 0.482 13.984 -6.019 318 HA ALA 42 HA ALA 42 3.131 14.928 -5.548 319 HB1 ALA 42 3HB ALA 42 3.106 13.484 -3.548 320 HB2 ALA 42 1HB ALA 42 1.641 12.682 -4.134 321 HB3 ALA 42 2HB ALA 42 1.601 14.390 -3.697 322 H ILE 43 H ILE 43 1.854 12.039 -7.055 323 HA ILE 43 HA ILE 43 4.242 10.488 -7.125 324 HB ILE 43 HB ILE 43 1.490 10.279 -8.179 325 HG12 ILE 43 2HG1 ILE 43 1.905 7.806 -7.854 326 HG13 ILE 43 3HG1 ILE 43 3.564 8.190 -7.430 327 HG21 ILE 43 1HG2 ILE 43 1.884 8.738 -10.058 328 HG22 ILE 43 2HG2 ILE 43 3.607 9.107 -9.990 329 HG23 ILE 43 3HG2 ILE 43 2.453 10.375 -10.407 330 HD11 ILE 43 3HD1 ILE 43 2.247 7.763 -5.462 331 HD12 ILE 43 1HD1 ILE 43 1.089 9.011 -5.925 332 HD13 ILE 43 2HD1 ILE 43 2.740 9.456 -5.482 333 H LYS 44 H LYS 44 3.067 13.159 -9.046 334 HA LYS 44 HA LYS 44 4.933 12.831 -11.247 335 HB2 LYS 44 2HB LYS 44 3.533 15.435 -10.532 336 HB3 LYS 44 3HB LYS 44 4.051 14.882 -12.122 337 HG2 LYS 44 2HG LYS 44 1.765 13.746 -10.490 338 HG3 LYS 44 3HG LYS 44 1.601 14.849 -11.858 339 HD2 LYS 44 2HD LYS 44 2.442 13.147 -13.389 340 HD3 LYS 44 3HD LYS 44 2.810 12.059 -12.044 341 HE2 LYS 44 2HE LYS 44 0.441 11.866 -11.505 342 HE3 LYS 44 3HE LYS 44 0.026 13.039 -12.757 343 HZ1 LYS 44 3HZ LYS 44 0.892 11.493 -14.414 344 HZ2 LYS 44 1HZ LYS 44 -0.362 10.800 -13.521 345 HZ3 LYS 44 2HZ LYS 44 1.242 10.367 -13.208 346 H ARG 45 H ARG 45 4.801 14.514 -8.190 347 HA ARG 45 HA ARG 45 7.070 16.253 -8.580 348 HB2 ARG 45 2HB ARG 45 5.499 15.524 -6.067 349 HB3 ARG 45 3HB ARG 45 6.700 16.805 -6.166 350 HG2 ARG 45 2HG ARG 45 4.118 16.732 -7.746 351 HG3 ARG 45 3HG ARG 45 4.369 17.640 -6.257 352 HD2 ARG 45 2HD ARG 45 6.124 18.981 -7.377 353 HD3 ARG 45 3HD ARG 45 5.863 18.064 -8.868 354 HE ARG 45 HE ARG 45 3.575 19.461 -7.693 355 HH11 ARG 45 1HH1 ARG 45 6.001 19.431 -10.246 356 HH12 ARG 45 2HH1 ARG 45 5.150 20.583 -11.225 357 HH21 ARG 45 1HH2 ARG 45 2.459 20.943 -9.009 358 HH22 ARG 45 2HH2 ARG 45 3.149 21.435 -10.523 359 H ASN 46 H ASN 46 6.450 13.434 -6.477 360 HA ASN 46 HA ASN 46 9.294 12.687 -6.607 361 HB2 ASN 46 2HB ASN 46 9.030 11.816 -4.190 362 HB3 ASN 46 3HB ASN 46 9.233 13.536 -4.432 363 HD21 ASN 46 1HD2 ASN 46 6.163 11.679 -4.689 364 HD22 ASN 46 2HD2 ASN 46 5.407 12.505 -3.385 365 HA PRO 47 HA PRO 47 6.795 9.052 -8.064 366 HB2 PRO 47 2HB PRO 47 8.339 8.400 -10.201 367 HB3 PRO 47 3HB PRO 47 7.240 9.801 -10.257 368 HG2 PRO 47 2HG PRO 47 10.191 9.772 -9.649 369 HG3 PRO 47 3HG PRO 47 9.317 10.757 -10.837 370 HD2 PRO 47 2HD PRO 47 9.935 11.737 -8.398 371 HD3 PRO 47 3HD PRO 47 8.411 12.174 -9.207 372 H LYS 48 H LYS 48 9.640 9.396 -6.408 373 HA LYS 48 HA LYS 48 10.485 6.575 -6.571 374 HB2 LYS 48 2HB LYS 48 11.778 8.951 -5.142 375 HB3 LYS 48 3HB LYS 48 12.404 7.310 -5.123 376 HG2 LYS 48 2HG LYS 48 13.723 8.325 -6.744 377 HG3 LYS 48 3HG LYS 48 12.482 7.535 -7.718 378 HD2 LYS 48 2HD LYS 48 11.270 9.691 -7.898 379 HD3 LYS 48 3HD LYS 48 12.544 10.477 -6.953 380 HE2 LYS 48 2HE LYS 48 12.835 10.845 -9.382 381 HE3 LYS 48 3HE LYS 48 14.189 9.955 -8.687 382 HZ1 LYS 48 3HZ LYS 48 13.293 7.913 -9.572 383 HZ2 LYS 48 1HZ LYS 48 13.440 9.037 -10.823 384 HZ3 LYS 48 2HZ LYS 48 11.923 8.706 -10.158 385 H ASP 49 H ASP 49 8.830 8.851 -4.510 386 HA ASP 49 HA ASP 49 9.341 7.570 -2.018 387 HB2 ASP 49 2HB ASP 49 7.636 9.879 -2.918 388 HB3 ASP 49 3HB ASP 49 7.249 9.159 -1.358 389 H ALA 50 H ALA 50 8.774 5.501 -1.990 390 HA ALA 50 HA ALA 50 6.467 4.298 -3.040 391 HB1 ALA 50 3HB ALA 50 8.553 3.085 -2.630 392 HB2 ALA 50 1HB ALA 50 7.208 2.297 -1.802 393 HB3 ALA 50 2HB ALA 50 8.354 3.284 -0.888 394 H LYS 51 H LYS 51 6.894 6.006 -0.030 395 HA LYS 51 HA LYS 51 4.711 4.792 1.375 396 HB2 LYS 51 2HB LYS 51 4.888 6.517 3.037 397 HB3 LYS 51 3HB LYS 51 6.506 6.003 2.600 398 HG2 LYS 51 2HG LYS 51 5.292 8.471 1.349 399 HG3 LYS 51 3HG LYS 51 6.007 8.537 2.960 400 HD2 LYS 51 2HD LYS 51 7.462 7.637 0.445 401 HD3 LYS 51 3HD LYS 51 7.580 9.240 1.174 402 HE2 LYS 51 2HE LYS 51 8.515 8.230 3.233 403 HE3 LYS 51 3HE LYS 51 8.410 6.630 2.489 404 HZ1 LYS 51 3HZ LYS 51 10.640 7.541 2.315 405 HZ2 LYS 51 1HZ LYS 51 10.058 8.893 1.486 406 HZ3 LYS 51 2HZ LYS 51 9.959 7.366 0.785 407 H LEU 52 H LEU 52 4.978 7.466 -0.898 408 HA LEU 52 HA LEU 52 2.362 8.523 -0.615 409 HB2 LEU 52 2HB LEU 52 4.489 8.637 -2.743 410 HB3 LEU 52 3HB LEU 52 2.864 9.056 -3.239 411 HG LEU 52 HG LEU 52 4.167 11.066 -2.686 412 HD11 LEU 52 1HD1 LEU 52 2.570 12.164 -1.189 413 HD12 LEU 52 2HD1 LEU 52 1.922 10.599 -0.692 414 HD13 LEU 52 3HD1 LEU 52 1.743 11.143 -2.363 415 HD21 LEU 52 3HD2 LEU 52 4.893 11.585 -0.396 416 HD22 LEU 52 1HD2 LEU 52 5.707 10.147 -1.006 417 HD23 LEU 52 2HD2 LEU 52 4.385 9.984 0.150 418 H TYR 53 H TYR 53 3.712 5.880 -2.473 419 HA TYR 53 HA TYR 53 1.400 5.178 -3.983 420 HB2 TYR 53 2HB TYR 53 3.934 3.637 -3.286 421 HB3 TYR 53 3HB TYR 53 2.695 3.022 -4.377 422 HD1 TYR 53 HD2 TYR 53 5.050 5.877 -3.898 423 HD2 TYR 53 HD1 TYR 53 2.753 3.618 -6.686 424 HE1 TYR 53 HE2 TYR 53 6.115 7.096 -5.739 425 HE2 TYR 53 HE1 TYR 53 3.815 4.836 -8.522 426 HH TYR 53 HH TYR 53 6.579 6.567 -8.247 427 H SER 54 H SER 54 2.880 3.695 -1.040 428 HA SER 54 HA SER 54 1.020 1.605 -0.742 429 HB2 SER 54 2HB SER 54 1.910 1.394 1.556 430 HB3 SER 54 3HB SER 54 3.217 1.642 0.396 431 HG SER 54 HG SER 54 2.291 3.297 2.414 432 H ASN 55 H ASN 55 0.998 4.927 0.367 433 HA ASN 55 HA ASN 55 -1.329 4.771 2.059 434 HB2 ASN 55 2HB ASN 55 0.495 6.396 2.435 435 HB3 ASN 55 3HB ASN 55 0.175 7.144 0.879 436 HD21 ASN 55 1HD2 ASN 55 -0.025 9.115 1.982 437 HD22 ASN 55 2HD2 ASN 55 -1.451 9.530 2.861 438 H ARG 56 H ARG 56 -0.691 5.657 -1.295 439 HA ARG 56 HA ARG 56 -3.242 6.760 -1.970 440 HB2 ARG 56 2HB ARG 56 -1.036 7.090 -3.198 441 HB3 ARG 56 3HB ARG 56 -1.187 5.452 -3.817 442 HG2 ARG 56 2HG ARG 56 -3.250 6.114 -5.017 443 HG3 ARG 56 3HG ARG 56 -3.085 7.755 -4.382 444 HD2 ARG 56 2HD ARG 56 -0.927 8.001 -5.553 445 HD3 ARG 56 3HD ARG 56 -1.053 6.351 -6.165 446 HE ARG 56 HE ARG 56 -2.963 8.501 -6.881 447 HH11 ARG 56 1HH1 ARG 56 -0.943 5.793 -7.856 448 HH12 ARG 56 2HH1 ARG 56 -1.452 5.863 -9.514 449 HH21 ARG 56 1HH2 ARG 56 -3.647 8.557 -9.030 450 HH22 ARG 56 2HH2 ARG 56 -2.991 7.433 -10.184 451 H ALA 57 H ALA 57 -1.737 3.607 -2.571 452 HA ALA 57 HA ALA 57 -3.899 2.137 -3.513 453 HB1 ALA 57 3HB ALA 57 -2.575 0.156 -2.902 454 HB2 ALA 57 1HB ALA 57 -1.511 1.161 -1.904 455 HB3 ALA 57 2HB ALA 57 -1.557 1.385 -3.654 456 H ALA 58 H ALA 58 -2.845 2.836 -0.187 457 HA ALA 58 HA ALA 58 -4.670 1.161 1.190 458 HB1 ALA 58 3HB ALA 58 -2.703 2.142 2.280 459 HB2 ALA 58 1HB ALA 58 -4.175 2.524 3.173 460 HB3 ALA 58 2HB ALA 58 -3.413 3.753 2.154 461 H CYS 59 H CYS 59 -5.015 4.437 -0.105 462 HA CYS 59 HA CYS 59 -7.640 4.903 0.943 463 HB2 CYS 59 2HB CYS 59 -6.231 6.111 -1.478 464 HB3 CYS 59 3HB CYS 59 -7.729 6.717 -0.771 465 HG CYS 59 HG CYS 59 -5.072 6.458 1.308 466 H TYR 60 H TYR 60 -6.391 3.704 -2.198 467 HA TYR 60 HA TYR 60 -8.782 3.312 -3.571 468 HB2 TYR 60 2HB TYR 60 -6.154 1.802 -3.815 469 HB3 TYR 60 3HB TYR 60 -7.485 1.611 -4.955 470 HD1 TYR 60 HD1 TYR 60 -8.293 4.644 -4.906 471 HD2 TYR 60 HD2 TYR 60 -4.561 2.638 -5.482 472 HE1 TYR 60 HE1 TYR 60 -7.488 6.529 -6.248 473 HE2 TYR 60 HE2 TYR 60 -3.755 4.539 -6.825 474 HH TYR 60 HH TYR 60 -4.792 6.406 -8.207 475 H THR 61 H THR 61 -7.227 1.139 -1.236 476 HA THR 61 HA THR 61 -8.875 -1.130 -1.656 477 HB THR 61 HB THR 61 -8.175 -1.868 0.637 478 HG1 THR 61 HG1 THR 61 -6.646 0.518 0.778 479 HG21 THR 61 3HG2 THR 61 -6.669 -2.341 -1.256 480 HG22 THR 61 1HG2 THR 61 -5.748 -2.016 0.214 481 HG23 THR 61 2HG2 THR 61 -5.885 -0.776 -1.031 482 H LYS 62 H LYS 62 -9.297 1.832 0.275 483 HA LYS 62 HA LYS 62 -11.536 0.893 1.842 484 HB2 LYS 62 2HB LYS 62 -10.672 3.768 1.257 485 HB3 LYS 62 3HB LYS 62 -11.809 3.276 2.510 486 HG2 LYS 62 2HG LYS 62 -8.850 2.621 2.397 487 HG3 LYS 62 3HG LYS 62 -9.630 3.773 3.483 488 HD2 LYS 62 2HD LYS 62 -10.778 1.987 4.659 489 HD3 LYS 62 3HD LYS 62 -10.251 0.790 3.473 490 HE2 LYS 62 2HE LYS 62 -8.466 2.304 5.411 491 HE3 LYS 62 3HE LYS 62 -8.921 0.603 5.508 492 HZ1 LYS 62 3HZ LYS 62 -7.804 0.295 3.319 493 HZ2 LYS 62 1HZ LYS 62 -6.754 0.752 4.566 494 HZ3 LYS 62 2HZ LYS 62 -7.250 1.890 3.422 495 H LEU 63 H LEU 63 -11.085 2.408 -1.238 496 HA LEU 63 HA LEU 63 -13.925 2.896 -1.711 497 HB2 LEU 63 2HB LEU 63 -11.530 3.301 -3.550 498 HB3 LEU 63 3HB LEU 63 -13.160 3.893 -3.820 499 HG LEU 63 HG LEU 63 -11.197 4.855 -1.705 500 HD11 LEU 63 1HD1 LEU 63 -11.352 7.001 -2.892 501 HD12 LEU 63 2HD1 LEU 63 -12.416 6.264 -4.095 502 HD13 LEU 63 3HD1 LEU 63 -10.747 5.711 -3.930 503 HD21 LEU 63 3HD2 LEU 63 -13.401 4.876 -0.674 504 HD22 LEU 63 1HD2 LEU 63 -14.088 5.720 -2.067 505 HD23 LEU 63 2HD2 LEU 63 -12.900 6.525 -1.039 506 H LEU 64 H LEU 64 -12.124 0.171 -1.669 507 HA LEU 64 HA LEU 64 -12.376 -1.930 -2.397 508 HB2 LEU 64 2HB LEU 64 -14.985 -0.836 -3.469 509 HB3 LEU 64 3HB LEU 64 -14.526 -2.500 -3.775 510 HG LEU 64 HG LEU 64 -16.059 -2.445 -1.904 511 HD11 LEU 64 1HD1 LEU 64 -13.280 -3.021 -0.840 512 HD12 LEU 64 2HD1 LEU 64 -14.268 -4.124 -1.799 513 HD13 LEU 64 3HD1 LEU 64 -14.806 -3.634 -0.196 514 HD21 LEU 64 3HD2 LEU 64 -14.152 -0.580 -0.461 515 HD22 LEU 64 1HD2 LEU 64 -15.637 -1.277 0.200 516 HD23 LEU 64 2HD2 LEU 64 -15.717 -0.137 -1.142 517 H GLU 65 H GLU 65 -11.272 0.315 -4.195 518 HA GLU 65 HA GLU 65 -11.228 -0.950 -6.835 519 HB2 GLU 65 2HB GLU 65 -10.077 1.682 -5.805 520 HB3 GLU 65 3HB GLU 65 -10.008 1.150 -7.486 521 HG2 GLU 65 2HG GLU 65 -12.472 1.188 -7.605 522 HG3 GLU 65 3HG GLU 65 -12.550 1.684 -5.916 523 H PHE 66 H PHE 66 -10.116 -2.666 -5.192 524 HA PHE 66 HA PHE 66 -7.366 -2.508 -4.612 525 HB2 PHE 66 2HB PHE 66 -9.118 -4.925 -5.201 526 HB3 PHE 66 3HB PHE 66 -7.472 -5.044 -4.602 527 HD1 PHE 66 HD2 PHE 66 -10.907 -3.850 -3.714 528 HD2 PHE 66 HD1 PHE 66 -7.016 -4.868 -2.256 529 HE1 PHE 66 HE2 PHE 66 -11.744 -3.797 -1.401 530 HE2 PHE 66 HE1 PHE 66 -7.874 -4.821 0.048 531 HZ PHE 66 HZ PHE 66 -10.236 -4.282 0.480 532 H GLN 67 H GLN 67 -9.039 -3.018 -7.625 533 HA GLN 67 HA GLN 67 -7.136 -4.163 -9.300 534 HB2 GLN 67 2HB GLN 67 -8.995 -1.834 -9.964 535 HB3 GLN 67 3HB GLN 67 -8.193 -2.865 -11.143 536 HG2 GLN 67 2HG GLN 67 -10.342 -3.708 -9.185 537 HG3 GLN 67 3HG GLN 67 -10.544 -3.446 -10.916 538 HE21 GLN 67 1HE2 GLN 67 -9.398 -5.603 -8.474 539 HE22 GLN 67 2HE2 GLN 67 -9.064 -6.943 -9.511 540 H LEU 68 H LEU 68 -7.508 -0.810 -8.198 541 HA LEU 68 HA LEU 68 -5.288 0.231 -9.730 542 HB2 LEU 68 2HB LEU 68 -6.741 1.520 -7.377 543 HB3 LEU 68 3HB LEU 68 -5.714 2.337 -8.546 544 HG LEU 68 HG LEU 68 -8.480 1.170 -9.019 545 HD11 LEU 68 1HD1 LEU 68 -7.464 4.022 -9.180 546 HD12 LEU 68 2HD1 LEU 68 -8.469 3.336 -7.902 547 HD13 LEU 68 3HD1 LEU 68 -9.110 3.484 -9.536 548 HD21 LEU 68 3HD2 LEU 68 -7.185 0.660 -11.001 549 HD22 LEU 68 1HD2 LEU 68 -6.588 2.323 -11.097 550 HD23 LEU 68 2HD2 LEU 68 -8.301 1.975 -11.355 551 H ALA 69 H ALA 69 -5.909 -0.872 -6.443 552 HA ALA 69 HA ALA 69 -3.536 0.031 -5.196 553 HB1 ALA 69 3HB ALA 69 -5.341 -2.279 -4.389 554 HB2 ALA 69 1HB ALA 69 -5.568 -0.587 -3.939 555 HB3 ALA 69 2HB ALA 69 -4.156 -1.472 -3.358 556 H LEU 70 H LEU 70 -4.259 -2.926 -7.022 557 HA LEU 70 HA LEU 70 -1.900 -4.383 -6.425 558 HB2 LEU 70 2HB LEU 70 -3.680 -4.441 -8.893 559 HB3 LEU 70 3HB LEU 70 -2.358 -5.566 -8.641 560 HG LEU 70 HG LEU 70 -4.822 -5.339 -6.872 561 HD11 LEU 70 1HD1 LEU 70 -4.117 -7.467 -8.923 562 HD12 LEU 70 2HD1 LEU 70 -5.377 -6.240 -9.086 563 HD13 LEU 70 3HD1 LEU 70 -5.517 -7.482 -7.846 564 HD21 LEU 70 3HD2 LEU 70 -2.864 -6.099 -5.607 565 HD22 LEU 70 1HD2 LEU 70 -2.562 -7.368 -6.799 566 HD23 LEU 70 2HD2 LEU 70 -4.025 -7.409 -5.809 567 H LYS 71 H LYS 71 -2.674 -2.550 -9.403 568 HA LYS 71 HA LYS 71 -0.079 -2.719 -10.515 569 HB2 LYS 71 2HB LYS 71 -0.911 -1.034 -12.179 570 HB3 LYS 71 3HB LYS 71 -1.974 -2.420 -11.966 571 HG2 LYS 71 2HG LYS 71 -3.501 -1.083 -10.578 572 HG3 LYS 71 3HG LYS 71 -2.416 0.304 -10.693 573 HD2 LYS 71 2HD LYS 71 -4.366 0.499 -12.223 574 HD3 LYS 71 3HD LYS 71 -2.832 0.490 -13.097 575 HE2 LYS 71 2HE LYS 71 -4.555 -0.887 -14.218 576 HE3 LYS 71 3HE LYS 71 -3.177 -1.862 -13.708 577 HZ1 LYS 71 3HZ LYS 71 -5.762 -1.646 -12.255 578 HZ2 LYS 71 1HZ LYS 71 -4.448 -2.600 -11.790 579 HZ3 LYS 71 2HZ LYS 71 -5.280 -2.945 -13.214 580 H ASP 72 H ASP 72 -1.500 -0.301 -8.395 581 HA ASP 72 HA ASP 72 0.508 1.728 -8.667 582 HB2 ASP 72 2HB ASP 72 -1.799 2.150 -7.776 583 HB3 ASP 72 3HB ASP 72 -1.418 1.187 -6.355 584 H CYS 73 H CYS 73 0.107 -1.127 -6.625 585 HA CYS 73 HA CYS 73 2.496 -0.664 -5.052 586 HB2 CYS 73 2HB CYS 73 0.585 -1.896 -4.081 587 HB3 CYS 73 3HB CYS 73 0.801 -3.183 -5.268 588 HG CYS 73 HG CYS 73 2.458 -2.591 -2.425 589 H GLU 74 H GLU 74 1.701 -2.320 -8.045 590 HA GLU 74 HA GLU 74 3.951 -4.058 -8.162 591 HB2 GLU 74 2HB GLU 74 2.134 -2.994 -10.361 592 HB3 GLU 74 3HB GLU 74 3.418 -4.160 -10.666 593 HG2 GLU 74 2HG GLU 74 1.151 -4.663 -8.715 594 HG3 GLU 74 3HG GLU 74 1.085 -5.113 -10.417 595 H GLU 75 H GLU 75 3.476 -0.712 -9.146 596 HA GLU 75 HA GLU 75 6.195 -0.505 -10.187 597 HB2 GLU 75 2HB GLU 75 5.632 1.924 -10.462 598 HB3 GLU 75 3HB GLU 75 4.555 0.822 -11.315 599 HG2 GLU 75 2HG GLU 75 2.907 1.091 -9.433 600 HG3 GLU 75 3HG GLU 75 3.967 2.324 -8.750 601 H CYS 76 H CYS 76 4.428 0.360 -7.216 602 HA CYS 76 HA CYS 76 6.291 1.909 -5.846 603 HB2 CYS 76 2HB CYS 76 4.028 1.524 -5.009 604 HB3 CYS 76 3HB CYS 76 4.382 -0.176 -4.727 605 HG CYS 76 HG CYS 76 6.613 1.010 -2.937 606 H ILE 77 H ILE 77 6.151 -1.606 -6.148 607 HA ILE 77 HA ILE 77 8.222 -2.169 -4.250 608 HB ILE 77 HB ILE 77 6.321 -3.716 -4.848 609 HG12 ILE 77 2HG1 ILE 77 8.554 -4.497 -3.731 610 HG13 ILE 77 3HG1 ILE 77 7.428 -5.702 -4.322 611 HG21 ILE 77 1HG2 ILE 77 6.493 -5.194 -6.813 612 HG22 ILE 77 2HG2 ILE 77 7.872 -4.257 -7.392 613 HG23 ILE 77 3HG2 ILE 77 6.285 -3.498 -7.256 614 HD11 ILE 77 3HD1 ILE 77 9.723 -6.312 -4.769 615 HD12 ILE 77 1HD1 ILE 77 9.965 -4.843 -5.713 616 HD13 ILE 77 2HD1 ILE 77 8.840 -6.082 -6.277 617 H GLN 78 H GLN 78 8.180 -1.301 -7.650 618 HA GLN 78 HA GLN 78 10.800 -2.347 -8.324 619 HB2 GLN 78 2HB GLN 78 9.220 -0.155 -9.759 620 HB3 GLN 78 3HB GLN 78 10.564 -1.080 -10.423 621 HG2 GLN 78 2HG GLN 78 7.830 -2.157 -9.691 622 HG3 GLN 78 3HG GLN 78 8.426 -1.858 -11.320 623 HE21 GLN 78 1HE2 GLN 78 7.432 -4.324 -10.029 624 HE22 GLN 78 2HE2 GLN 78 8.690 -5.493 -10.226 625 H LEU 79 H LEU 79 9.462 0.575 -7.033 626 HA LEU 79 HA LEU 79 11.795 2.256 -7.227 627 HB2 LEU 79 2HB LEU 79 9.311 2.563 -5.494 628 HB3 LEU 79 3HB LEU 79 10.436 3.844 -5.939 629 HG LEU 79 HG LEU 79 8.725 2.334 -7.953 630 HD11 LEU 79 1HD1 LEU 79 7.285 3.521 -6.392 631 HD12 LEU 79 2HD1 LEU 79 7.249 4.270 -7.985 632 HD13 LEU 79 3HD1 LEU 79 8.174 5.021 -6.681 633 HD21 LEU 79 3HD2 LEU 79 10.746 3.342 -8.918 634 HD22 LEU 79 1HD2 LEU 79 10.299 4.914 -8.244 635 HD23 LEU 79 2HD2 LEU 79 9.290 4.159 -9.482 636 H GLU 80 H GLU 80 10.112 0.516 -4.609 637 HA GLU 80 HA GLU 80 12.619 0.249 -3.116 638 HB2 GLU 80 2HB GLU 80 11.575 2.299 -2.214 639 HB3 GLU 80 3HB GLU 80 10.088 1.416 -1.880 640 HG2 GLU 80 2HG GLU 80 11.389 1.737 0.162 641 HG3 GLU 80 3HG GLU 80 11.261 0.024 -0.229 642 HA PRO 81 HA PRO 81 10.396 -3.775 -2.978 643 HB2 PRO 81 2HB PRO 81 12.580 -5.385 -3.152 644 HB3 PRO 81 3HB PRO 81 11.927 -4.522 -4.562 645 HG2 PRO 81 2HG PRO 81 14.281 -3.807 -2.853 646 HG3 PRO 81 3HG PRO 81 14.116 -3.759 -4.622 647 HD2 PRO 81 2HD PRO 81 13.850 -1.537 -3.008 648 HD3 PRO 81 3HD PRO 81 13.081 -1.700 -4.603 649 H THR 82 H THR 82 12.417 -2.281 -0.647 650 HA THR 82 HA THR 82 11.914 -4.504 1.274 651 HB THR 82 HB THR 82 13.689 -3.546 2.700 652 HG1 THR 82 HG1 THR 82 14.447 -1.846 0.568 653 HG21 THR 82 3HG2 THR 82 14.307 -5.312 1.078 654 HG22 THR 82 1HG2 THR 82 15.643 -4.179 1.322 655 HG23 THR 82 2HG2 THR 82 14.655 -4.081 -0.137 656 H PHE 83 H PHE 83 10.153 -2.168 0.318 657 HA PHE 83 HA PHE 83 9.679 -0.661 2.760 658 HB2 PHE 83 2HB PHE 83 9.428 0.279 0.377 659 HB3 PHE 83 3HB PHE 83 7.941 -0.653 0.259 660 HD1 PHE 83 HD2 PHE 83 9.501 1.461 2.927 661 HD2 PHE 83 HD1 PHE 83 6.064 0.781 0.483 662 HE1 PHE 83 HE2 PHE 83 8.333 3.289 4.068 663 HE2 PHE 83 HE1 PHE 83 4.908 2.619 1.632 664 HZ PHE 83 HZ PHE 83 6.032 3.870 3.427 665 H ILE 84 H ILE 84 8.711 -1.698 4.388 666 HA ILE 84 HA ILE 84 7.235 -4.073 4.314 667 HB ILE 84 HB ILE 84 7.325 -1.894 6.443 668 HG12 ILE 84 2HG1 ILE 84 8.839 -4.538 6.224 669 HG13 ILE 84 3HG1 ILE 84 9.516 -2.936 5.958 670 HG21 ILE 84 1HG2 ILE 84 6.475 -3.549 8.067 671 HG22 ILE 84 2HG2 ILE 84 6.224 -4.703 6.757 672 HG23 ILE 84 3HG2 ILE 84 5.293 -3.206 6.802 673 HD11 ILE 84 3HD1 ILE 84 10.172 -3.785 8.102 674 HD12 ILE 84 1HD1 ILE 84 8.490 -4.033 8.570 675 HD13 ILE 84 2HD1 ILE 84 9.109 -2.396 8.322 676 H LYS 85 H LYS 85 6.090 -0.701 4.491 677 HA LYS 85 HA LYS 85 3.340 -1.271 4.886 678 HB2 LYS 85 2HB LYS 85 4.551 1.247 3.700 679 HB3 LYS 85 3HB LYS 85 2.957 1.112 4.415 680 HG2 LYS 85 2HG LYS 85 5.469 0.620 6.036 681 HG3 LYS 85 3HG LYS 85 4.846 2.244 5.768 682 HD2 LYS 85 2HD LYS 85 4.032 1.575 7.896 683 HD3 LYS 85 3HD LYS 85 2.654 1.473 6.808 684 HE2 LYS 85 2HE LYS 85 2.967 -0.988 6.697 685 HE3 LYS 85 3HE LYS 85 4.322 -0.850 7.825 686 HZ1 LYS 85 3HZ LYS 85 1.512 -0.047 8.409 687 HZ2 LYS 85 1HZ LYS 85 2.814 0.057 9.483 688 HZ3 LYS 85 2HZ LYS 85 2.267 -1.448 8.958 689 H GLY 86 H GLY 86 5.300 -1.069 1.980 690 HA2 GLY 86 2HA GLY 86 3.194 -0.995 0.042 691 HA3 GLY 86 3HA GLY 86 4.849 -1.521 -0.232 692 H TYR 87 H TYR 87 4.965 -3.595 1.655 693 HA TYR 87 HA TYR 87 3.828 -5.757 0.157 694 HB2 TYR 87 2HB TYR 87 5.588 -5.563 2.621 695 HB3 TYR 87 3HB TYR 87 4.884 -7.117 2.173 696 HD1 TYR 87 HD1 TYR 87 6.731 -4.284 0.493 697 HD2 TYR 87 HD2 TYR 87 6.221 -8.509 0.842 698 HE1 TYR 87 HE1 TYR 87 8.501 -4.631 -1.169 699 HE2 TYR 87 HE2 TYR 87 7.993 -8.860 -0.822 700 HH TYR 87 HH TYR 87 10.045 -6.356 -1.920 701 H THR 88 H THR 88 3.010 -4.227 3.237 702 HA THR 88 HA THR 88 1.187 -6.222 4.147 703 HB THR 88 HB THR 88 0.411 -4.379 5.727 704 HG1 THR 88 HG1 THR 88 0.797 -2.463 4.877 705 HG21 THR 88 3HG2 THR 88 2.260 -5.880 6.392 706 HG22 THR 88 1HG2 THR 88 2.537 -4.243 6.988 707 HG23 THR 88 2HG2 THR 88 3.422 -4.828 5.575 708 H ARG 89 H ARG 89 0.834 -3.328 2.113 709 HA ARG 89 HA ARG 89 -2.050 -3.446 1.925 710 HB2 ARG 89 2HB ARG 89 -0.025 -2.027 0.137 711 HB3 ARG 89 3HB ARG 89 -1.770 -1.801 0.052 712 HG2 ARG 89 2HG ARG 89 0.035 -1.068 2.375 713 HG3 ARG 89 3HG ARG 89 -0.723 0.049 1.239 714 HD2 ARG 89 2HD ARG 89 -2.938 -0.552 2.082 715 HD3 ARG 89 3HD ARG 89 -2.226 -1.766 3.157 716 HE ARG 89 HE ARG 89 -1.359 1.018 3.458 717 HH11 ARG 89 1HH1 ARG 89 -3.291 -1.625 4.750 718 HH12 ARG 89 2HH1 ARG 89 -3.463 -0.893 6.299 719 HH21 ARG 89 1HH2 ARG 89 -1.593 1.950 5.504 720 HH22 ARG 89 2HH2 ARG 89 -2.501 1.135 6.730 721 H LYS 90 H LYS 90 0.675 -4.576 -0.027 722 HA LYS 90 HA LYS 90 -0.706 -5.358 -2.344 723 HB2 LYS 90 2HB LYS 90 1.749 -5.037 -2.271 724 HB3 LYS 90 3HB LYS 90 1.911 -6.434 -1.214 725 HG2 LYS 90 2HG LYS 90 2.534 -7.007 -3.510 726 HG3 LYS 90 3HG LYS 90 1.103 -7.913 -3.006 727 HD2 LYS 90 2HD LYS 90 -0.335 -6.307 -4.251 728 HD3 LYS 90 3HD LYS 90 1.109 -5.426 -4.771 729 HE2 LYS 90 2HE LYS 90 0.393 -8.295 -5.463 730 HE3 LYS 90 3HE LYS 90 0.358 -6.909 -6.555 731 HZ1 LYS 90 3HZ LYS 90 2.775 -8.056 -5.263 732 HZ2 LYS 90 1HZ LYS 90 2.763 -6.692 -6.259 733 HZ3 LYS 90 2HZ LYS 90 2.348 -8.201 -6.888 734 H ALA 91 H ALA 91 0.322 -7.273 0.483 735 HA ALA 91 HA ALA 91 -0.645 -9.774 -0.431 736 HB1 ALA 91 3HB ALA 91 -0.179 -10.535 1.845 737 HB2 ALA 91 1HB ALA 91 -0.030 -8.862 2.396 738 HB3 ALA 91 2HB ALA 91 1.132 -9.522 1.248 739 H ALA 92 H ALA 92 -2.090 -7.201 1.547 740 HA ALA 92 HA ALA 92 -4.479 -8.551 2.290 741 HB1 ALA 92 3HB ALA 92 -5.346 -6.304 2.817 742 HB2 ALA 92 1HB ALA 92 -3.982 -5.569 1.958 743 HB3 ALA 92 2HB ALA 92 -3.702 -6.510 3.423 744 H ALA 93 H ALA 93 -3.558 -6.642 -0.539 745 HA ALA 93 HA ALA 93 -6.114 -6.515 -1.779 746 HB1 ALA 93 3HB ALA 93 -4.879 -5.814 -3.788 747 HB2 ALA 93 1HB ALA 93 -3.354 -6.299 -3.030 748 HB3 ALA 93 2HB ALA 93 -4.294 -4.967 -2.355 749 H LEU 94 H LEU 94 -3.307 -8.673 -2.256 750 HA LEU 94 HA LEU 94 -4.374 -10.389 -4.202 751 HB2 LEU 94 2HB LEU 94 -2.284 -10.914 -2.051 752 HB3 LEU 94 3HB LEU 94 -2.635 -12.043 -3.351 753 HG LEU 94 HG LEU 94 -1.506 -9.234 -3.696 754 HD11 LEU 94 1HD1 LEU 94 -0.143 -11.920 -4.066 755 HD12 LEU 94 2HD1 LEU 94 0.140 -10.779 -2.748 756 HD13 LEU 94 3HD1 LEU 94 0.560 -10.332 -4.400 757 HD21 LEU 94 3HD2 LEU 94 -1.220 -9.842 -6.073 758 HD22 LEU 94 1HD2 LEU 94 -2.916 -9.795 -5.593 759 HD23 LEU 94 2HD2 LEU 94 -2.099 -11.350 -5.789 760 H GLU 95 H GLU 95 -4.503 -10.519 -0.661 761 HA GLU 95 HA GLU 95 -5.854 -12.970 -0.321 762 HB2 GLU 95 2HB GLU 95 -4.698 -11.660 1.484 763 HB3 GLU 95 3HB GLU 95 -5.990 -10.467 1.420 764 HG2 GLU 95 2HG GLU 95 -7.555 -12.467 2.000 765 HG3 GLU 95 3HG GLU 95 -6.072 -13.307 2.447 766 H ALA 96 H ALA 96 -6.998 -9.777 -1.292 767 HA ALA 96 HA ALA 96 -9.831 -10.368 -0.906 768 HB1 ALA 96 3HB ALA 96 -8.487 -8.031 -2.325 769 HB2 ALA 96 1HB ALA 96 -9.002 -8.053 -0.639 770 HB3 ALA 96 2HB ALA 96 -10.205 -8.151 -1.926 771 H MET 97 H MET 97 -7.427 -10.990 -3.301 772 HA MET 97 HA MET 97 -9.358 -11.288 -5.528 773 HB2 MET 97 2HB MET 97 -6.303 -11.575 -5.492 774 HB3 MET 97 3HB MET 97 -7.325 -11.663 -6.924 775 HG2 MET 97 2HG MET 97 -6.944 -9.246 -5.162 776 HG3 MET 97 3HG MET 97 -6.261 -9.494 -6.773 777 HE1 MET 97 3HE MET 97 -7.377 -6.994 -7.215 778 HE2 MET 97 1HE MET 97 -8.140 -7.034 -5.626 779 HE3 MET 97 2HE MET 97 -9.108 -6.702 -7.061 780 H LYS 98 H LYS 98 -8.591 -13.096 -2.971 781 HA LYS 98 HA LYS 98 -8.663 -15.265 -2.355 782 HB2 LYS 98 2HB LYS 98 -9.442 -15.865 -5.239 783 HB3 LYS 98 3HB LYS 98 -9.529 -17.018 -3.914 784 HG2 LYS 98 2HG LYS 98 -11.122 -14.431 -4.038 785 HG3 LYS 98 3HG LYS 98 -11.738 -15.998 -4.561 786 HD2 LYS 98 2HD LYS 98 -10.814 -15.343 -1.734 787 HD3 LYS 98 3HD LYS 98 -12.495 -15.351 -2.272 788 HE2 LYS 98 2HE LYS 98 -10.641 -17.756 -2.245 789 HE3 LYS 98 3HE LYS 98 -11.921 -17.420 -1.080 790 HZ1 LYS 98 3HZ LYS 98 -12.673 -18.997 -2.712 791 HZ2 LYS 98 1HZ LYS 98 -12.288 -17.945 -3.977 792 HZ3 LYS 98 2HZ LYS 98 -13.525 -17.553 -2.900 793 H ASP 99 H ASP 99 -6.307 -13.934 -3.898 794 HA ASP 99 HA ASP 99 -4.671 -16.184 -4.746 795 HB2 ASP 99 2HB ASP 99 -4.202 -13.174 -4.577 796 HB3 ASP 99 3HB ASP 99 -2.885 -14.280 -4.936 797 H TYR 100 H TYR 100 -5.502 -16.430 -2.058 798 HA TYR 100 HA TYR 100 -3.937 -15.574 0.008 799 HB2 TYR 100 2HB TYR 100 -4.948 -18.433 -0.329 800 HB3 TYR 100 3HB TYR 100 -4.587 -17.625 1.197 801 HD1 TYR 100 HD1 TYR 100 -5.887 -15.024 0.958 802 HD2 TYR 100 HD2 TYR 100 -7.282 -18.833 -0.371 803 HE1 TYR 100 HE1 TYR 100 -8.197 -14.245 1.121 804 HE2 TYR 100 HE2 TYR 100 -9.600 -18.048 -0.192 805 HH TYR 100 HH TYR 100 -10.852 -16.289 1.125 806 H THR 101 H THR 101 -3.193 -18.055 -2.325 807 HA THR 101 HA THR 101 -0.964 -19.293 -1.212 808 HB THR 101 HB THR 101 -0.464 -19.951 -3.599 809 HG1 THR 101 HG1 THR 101 -2.235 -19.204 -5.101 810 HG21 THR 101 3HG2 THR 101 -2.584 -21.174 -4.002 811 HG22 THR 101 1HG2 THR 101 -3.394 -20.174 -2.791 812 HG23 THR 101 2HG2 THR 101 -2.102 -21.277 -2.309 813 H LYS 102 H LYS 102 -1.216 -16.394 -3.296 814 HA LYS 102 HA LYS 102 1.696 -16.020 -3.309 815 HB2 LYS 102 2HB LYS 102 -0.542 -14.517 -4.718 816 HB3 LYS 102 3HB LYS 102 1.161 -14.095 -4.855 817 HG2 LYS 102 2HG LYS 102 -0.163 -16.654 -5.791 818 HG3 LYS 102 3HG LYS 102 0.480 -15.362 -6.798 819 HD2 LYS 102 2HD LYS 102 2.303 -16.746 -6.962 820 HD3 LYS 102 3HD LYS 102 2.757 -16.036 -5.414 821 HE2 LYS 102 2HE LYS 102 1.473 -18.017 -4.345 822 HE3 LYS 102 3HE LYS 102 1.479 -18.735 -5.956 823 HZ1 LYS 102 3HZ LYS 102 3.889 -17.960 -4.389 824 HZ2 LYS 102 1HZ LYS 102 3.908 -18.630 -5.939 825 HZ3 LYS 102 2HZ LYS 102 3.332 -19.534 -4.636 826 H ALA 103 H ALA 103 -1.153 -14.686 -1.832 827 HA ALA 103 HA ALA 103 -0.146 -12.253 -0.865 828 HB1 ALA 103 3HB ALA 103 -2.030 -12.284 0.703 829 HB2 ALA 103 1HB ALA 103 -2.322 -13.995 0.344 830 HB3 ALA 103 2HB ALA 103 -2.555 -12.776 -0.910 831 H MET 104 H MET 104 -0.269 -15.516 0.553 832 HA MET 104 HA MET 104 0.826 -14.894 3.065 833 HB2 MET 104 2HB MET 104 1.123 -17.248 3.419 834 HB3 MET 104 3HB MET 104 -0.382 -17.014 2.550 835 HG2 MET 104 2HG MET 104 0.664 -17.775 0.484 836 HG3 MET 104 3HG MET 104 2.224 -17.911 1.298 837 HE1 MET 104 3HE MET 104 -1.398 -20.568 2.408 838 HE2 MET 104 1HE MET 104 -1.501 -19.214 1.285 839 HE3 MET 104 2HE MET 104 -1.226 -18.919 3.005 840 H ASP 105 H ASP 105 2.377 -15.552 -0.017 841 HA ASP 105 HA ASP 105 5.046 -15.784 0.919 842 HB2 ASP 105 2HB ASP 105 4.039 -14.754 -1.772 843 HB3 ASP 105 3HB ASP 105 5.723 -15.126 -1.410 844 H VAL 106 H VAL 106 2.964 -13.021 0.123 845 HA VAL 106 HA VAL 106 5.136 -11.078 0.234 846 HB VAL 106 HB VAL 106 2.115 -10.617 0.008 847 HG11 VAL 106 1HG1 VAL 106 2.696 -8.392 -0.880 848 HG12 VAL 106 2HG1 VAL 106 4.410 -8.720 -0.612 849 HG13 VAL 106 3HG1 VAL 106 3.310 -8.596 0.763 850 HG21 VAL 106 3HG2 VAL 106 2.948 -11.972 -1.874 851 HG22 VAL 106 1HG2 VAL 106 4.195 -10.770 -2.211 852 HG23 VAL 106 2HG2 VAL 106 2.490 -10.361 -2.422 853 H TYR 107 H TYR 107 2.623 -12.321 2.387 854 HA TYR 107 HA TYR 107 2.928 -10.483 4.550 855 HB2 TYR 107 2HB TYR 107 1.943 -13.376 4.489 856 HB3 TYR 107 3HB TYR 107 1.997 -12.434 5.972 857 HD1 TYR 107 HD1 TYR 107 0.846 -9.923 5.543 858 HD2 TYR 107 HD2 TYR 107 -0.237 -13.567 3.608 859 HE1 TYR 107 HE1 TYR 107 -1.410 -9.038 5.142 860 HE2 TYR 107 HE2 TYR 107 -2.485 -12.680 3.189 861 HH TYR 107 HH TYR 107 -3.995 -10.998 4.075 862 H GLN 108 H GLN 108 4.385 -13.600 3.716 863 HA GLN 108 HA GLN 108 6.123 -14.000 5.884 864 HB2 GLN 108 2HB GLN 108 5.492 -15.635 3.985 865 HB3 GLN 108 3HB GLN 108 6.670 -14.812 2.988 866 HG2 GLN 108 2HG GLN 108 7.382 -16.204 5.577 867 HG3 GLN 108 3HG GLN 108 7.384 -17.013 4.018 868 HE21 GLN 108 1HE2 GLN 108 8.979 -14.662 6.011 869 HE22 GLN 108 2HE2 GLN 108 10.431 -14.552 5.084 870 H LYS 109 H LYS 109 6.633 -12.413 2.732 871 HA LYS 109 HA LYS 109 9.334 -11.693 3.132 872 HB2 LYS 109 2HB LYS 109 7.253 -10.591 1.203 873 HB3 LYS 109 3HB LYS 109 8.953 -10.131 1.163 874 HG2 LYS 109 2HG LYS 109 7.854 -12.922 0.745 875 HG3 LYS 109 3HG LYS 109 8.438 -11.842 -0.518 876 HD2 LYS 109 2HD LYS 109 10.137 -12.984 1.740 877 HD3 LYS 109 3HD LYS 109 10.077 -13.604 0.090 878 HE2 LYS 109 2HE LYS 109 10.929 -11.452 -0.757 879 HE3 LYS 109 3HE LYS 109 10.983 -10.823 0.891 880 HZ1 LYS 109 3HZ LYS 109 12.578 -12.613 1.415 881 HZ2 LYS 109 1HZ LYS 109 13.147 -11.530 0.252 882 HZ3 LYS 109 2HZ LYS 109 12.596 -13.056 -0.213 883 H ALA 110 H ALA 110 6.295 -9.973 3.762 884 HA ALA 110 HA ALA 110 7.349 -7.470 4.528 885 HB1 ALA 110 3HB ALA 110 5.192 -7.119 5.642 886 HB2 ALA 110 1HB ALA 110 4.851 -8.853 5.573 887 HB3 ALA 110 2HB ALA 110 4.943 -7.910 4.086 888 H LEU 111 H LEU 111 6.639 -10.394 6.463 889 HA LEU 111 HA LEU 111 7.642 -9.515 8.973 890 HB2 LEU 111 2HB LEU 111 7.389 -12.319 7.812 891 HB3 LEU 111 3HB LEU 111 7.753 -11.992 9.501 892 HG LEU 111 HG LEU 111 5.180 -11.113 8.127 893 HD11 LEU 111 1HD1 LEU 111 4.055 -12.955 9.286 894 HD12 LEU 111 2HD1 LEU 111 5.606 -13.547 9.889 895 HD13 LEU 111 3HD1 LEU 111 5.269 -13.553 8.155 896 HD21 LEU 111 3HD2 LEU 111 5.936 -11.180 11.062 897 HD22 LEU 111 1HD2 LEU 111 4.350 -10.754 10.410 898 HD23 LEU 111 2HD2 LEU 111 5.747 -9.740 10.057 899 H ASP 112 H ASP 112 9.144 -10.910 6.163 900 HA ASP 112 HA ASP 112 11.661 -11.696 7.267 901 HB2 ASP 112 2HB ASP 112 10.640 -12.709 5.217 902 HB3 ASP 112 3HB ASP 112 10.833 -11.187 4.364 903 H LEU 113 H LEU 113 10.352 -8.713 6.016 904 HA LEU 113 HA LEU 113 12.859 -7.351 5.664 905 HB2 LEU 113 2HB LEU 113 10.053 -6.208 6.020 906 HB3 LEU 113 3HB LEU 113 11.466 -5.287 5.529 907 HG LEU 113 HG LEU 113 10.196 -7.533 3.938 908 HD11 LEU 113 1HD1 LEU 113 8.767 -5.583 3.934 909 HD12 LEU 113 2HD1 LEU 113 9.491 -5.816 2.345 910 HD13 LEU 113 3HD1 LEU 113 10.112 -4.559 3.421 911 HD21 LEU 113 3HD2 LEU 113 12.583 -7.501 3.524 912 HD22 LEU 113 1HD2 LEU 113 12.541 -5.764 3.199 913 HD23 LEU 113 2HD2 LEU 113 11.726 -6.891 2.111 914 H ASP 114 H ASP 114 10.348 -7.340 8.262 915 HA ASP 114 HA ASP 114 12.359 -7.176 10.298 916 HB2 ASP 114 2HB ASP 114 12.074 -4.723 9.459 917 HB3 ASP 114 3HB ASP 114 10.502 -4.756 10.247 918 H SER 115 H SER 115 11.606 -7.559 12.359 919 HA SER 115 HA SER 115 9.433 -9.289 12.669 920 HB2 SER 115 2HB SER 115 9.978 -9.061 15.142 921 HB3 SER 115 3HB SER 115 11.373 -9.430 14.127 922 HG SER 115 HG SER 115 10.686 -7.001 15.389 923 H SER 116 H SER 116 9.686 -5.808 13.287 924 HA SER 116 HA SER 116 7.327 -5.393 14.762 925 HB2 SER 116 2HB SER 116 7.538 -3.018 14.113 926 HB3 SER 116 3HB SER 116 9.106 -3.691 14.562 927 HG SER 116 HG SER 116 9.598 -3.895 12.365 928 H CYS 117 H CYS 117 7.643 -6.316 11.500 929 HA CYS 117 HA CYS 117 5.129 -5.260 10.564 930 HB2 CYS 117 2HB CYS 117 7.045 -5.722 9.046 931 HB3 CYS 117 3HB CYS 117 6.869 -7.447 9.366 932 HG CYS 117 HG CYS 117 4.856 -7.905 7.808 933 H LYS 118 H LYS 118 5.447 -7.370 13.000 934 HA LYS 118 HA LYS 118 4.013 -9.630 12.664 935 HB2 LYS 118 2HB LYS 118 3.491 -7.594 14.849 936 HB3 LYS 118 3HB LYS 118 2.879 -9.240 14.889 937 HG2 LYS 118 2HG LYS 118 5.768 -8.353 14.999 938 HG3 LYS 118 3HG LYS 118 4.819 -9.089 16.290 939 HD2 LYS 118 2HD LYS 118 5.645 -10.459 13.703 940 HD3 LYS 118 3HD LYS 118 6.411 -10.681 15.273 941 HE2 LYS 118 2HE LYS 118 4.374 -11.684 16.168 942 HE3 LYS 118 3HE LYS 118 3.522 -11.383 14.650 943 HZ1 LYS 118 3HZ LYS 118 4.311 -13.678 14.812 944 HZ2 LYS 118 1HZ LYS 118 5.903 -13.136 14.961 945 HZ3 LYS 118 2HZ LYS 118 5.058 -12.873 13.527 946 H GLU 119 H GLU 119 2.513 -6.473 12.200 947 HA GLU 119 HA GLU 119 -0.196 -6.997 12.165 948 HB2 GLU 119 2HB GLU 119 -0.341 -5.151 10.492 949 HB3 GLU 119 3HB GLU 119 0.755 -4.765 11.820 950 HG2 GLU 119 2HG GLU 119 2.674 -5.481 10.359 951 HG3 GLU 119 3HG GLU 119 1.532 -5.653 9.028 952 H ALA 120 H ALA 120 2.176 -7.797 9.668 953 HA ALA 120 HA ALA 120 0.326 -8.898 7.762 954 HB1 ALA 120 3HB ALA 120 2.447 -7.849 7.071 955 HB2 ALA 120 1HB ALA 120 2.369 -9.528 6.534 956 HB3 ALA 120 2HB ALA 120 3.359 -9.098 7.931 957 H ALA 121 H ALA 121 1.975 -10.130 10.604 958 HA ALA 121 HA ALA 121 1.735 -12.938 9.931 959 HB1 ALA 121 3HB ALA 121 2.068 -11.626 12.659 960 HB2 ALA 121 1HB ALA 121 3.371 -12.199 11.618 961 HB3 ALA 121 2HB ALA 121 2.230 -13.351 12.313 962 H ASP 122 H ASP 122 -0.180 -10.550 11.769 963 HA ASP 122 HA ASP 122 -2.408 -12.140 12.415 964 HB2 ASP 122 2HB ASP 122 -2.305 -9.177 11.686 965 HB3 ASP 122 3HB ASP 122 -3.704 -9.975 12.405 966 H GLY 123 H GLY 123 -1.650 -10.194 9.557 967 HA2 GLY 123 2HA GLY 123 -3.897 -10.778 7.978 968 HA3 GLY 123 3HA GLY 123 -2.331 -10.257 7.384 969 H TYR 124 H TYR 124 -0.861 -12.561 8.442 970 HA TYR 124 HA TYR 124 -1.217 -14.388 6.294 971 HB2 TYR 124 2HB TYR 124 1.006 -14.103 7.223 972 HB3 TYR 124 3HB TYR 124 0.468 -14.597 8.827 973 HD1 TYR 124 HD1 TYR 124 0.219 -16.044 5.346 974 HD2 TYR 124 HD2 TYR 124 1.302 -16.739 9.422 975 HE1 TYR 124 HE1 TYR 124 0.793 -18.370 4.800 976 HE2 TYR 124 HE2 TYR 124 1.874 -19.067 8.870 977 HH TYR 124 HH TYR 124 2.185 -20.188 5.674 978 H GLN 125 H GLN 125 -1.764 -14.804 9.822 979 HA GLN 125 HA GLN 125 -2.778 -17.359 9.884 980 HB2 GLN 125 2HB GLN 125 -3.072 -14.940 11.625 981 HB3 GLN 125 3HB GLN 125 -4.259 -16.205 11.891 982 HG2 GLN 125 2HG GLN 125 -2.246 -16.300 13.395 983 HG3 GLN 125 3HG GLN 125 -2.585 -17.785 12.513 984 HE21 GLN 125 1HE2 GLN 125 -0.456 -15.035 12.753 985 HE22 GLN 125 2HE2 GLN 125 0.853 -15.707 11.851 986 H ARG 126 H ARG 126 -4.661 -14.385 9.210 987 HA ARG 126 HA ARG 126 -7.139 -15.823 8.854 988 HB2 ARG 126 2HB ARG 126 -8.040 -13.635 8.015 989 HB3 ARG 126 3HB ARG 126 -7.328 -13.562 9.624 990 HG2 ARG 126 2HG ARG 126 -5.393 -12.426 8.835 991 HG3 ARG 126 3HG ARG 126 -5.785 -12.746 7.147 992 HD2 ARG 126 2HD ARG 126 -7.540 -11.029 8.938 993 HD3 ARG 126 3HD ARG 126 -6.207 -10.371 7.989 994 HE ARG 126 HE ARG 126 -7.329 -11.029 5.990 995 HH11 ARG 126 1HH1 ARG 126 -9.393 -11.236 8.842 996 HH12 ARG 126 2HH1 ARG 126 -10.858 -11.187 7.909 997 HH21 ARG 126 1HH2 ARG 126 -9.221 -10.984 4.804 998 HH22 ARG 126 2HH2 ARG 126 -10.757 -11.044 5.610 999 H CYS 127 H CYS 127 -4.459 -15.102 6.748 1000 HA CYS 127 HA CYS 127 -5.928 -15.182 4.240 1001 HB2 CYS 127 2HB CYS 127 -3.832 -13.869 4.482 1002 HB3 CYS 127 3HB CYS 127 -2.924 -15.351 4.758 1003 HG CYS 127 HG CYS 127 -3.951 -13.954 1.913 1004 H MET 128 H MET 128 -3.540 -17.333 5.814 1005 HA MET 128 HA MET 128 -3.752 -19.508 4.039 1006 HB2 MET 128 2HB MET 128 -2.690 -20.864 5.866 1007 HB3 MET 128 3HB MET 128 -1.830 -19.375 5.512 1008 HG2 MET 128 2HG MET 128 -2.596 -18.345 7.524 1009 HG3 MET 128 3HG MET 128 -3.769 -19.624 7.820 1010 HE1 MET 128 3HE MET 128 -1.551 -22.622 8.900 1011 HE2 MET 128 1HE MET 128 -2.197 -22.289 7.292 1012 HE3 MET 128 2HE MET 128 -3.191 -21.995 8.721 1013 H MET 129 H MET 129 -5.526 -18.762 7.052 1014 HA MET 129 HA MET 129 -6.998 -21.200 7.122 1015 HB2 MET 129 2HB MET 129 -8.121 -20.367 8.988 1016 HB3 MET 129 3HB MET 129 -6.654 -19.402 9.041 1017 HG2 MET 129 2HG MET 129 -7.837 -17.513 8.048 1018 HG3 MET 129 3HG MET 129 -9.294 -18.487 7.879 1019 HE1 MET 129 3HE MET 129 -10.652 -16.187 10.567 1020 HE2 MET 129 1HE MET 129 -10.971 -17.091 9.084 1021 HE3 MET 129 2HE MET 129 -9.762 -15.801 9.095 1022 H ALA 130 H ALA 130 -7.443 -18.190 5.400 1023 HA ALA 130 HA ALA 130 -10.227 -18.244 4.981 1024 HB1 ALA 130 3HB ALA 130 -8.880 -16.232 4.686 1025 HB2 ALA 130 1HB ALA 130 -9.810 -16.572 3.227 1026 HB3 ALA 130 2HB ALA 130 -8.080 -16.942 3.284 1027 H GLN 131 H GLN 131 -7.630 -19.878 3.273 1028 HA GLN 131 HA GLN 131 -9.522 -20.997 1.309 1029 HB2 GLN 131 2HB GLN 131 -7.457 -22.208 0.423 1030 HB3 GLN 131 3HB GLN 131 -7.465 -20.465 0.253 1031 HG2 GLN 131 2HG GLN 131 -5.913 -20.209 2.072 1032 HG3 GLN 131 3HG GLN 131 -6.005 -21.926 2.456 1033 HE21 GLN 131 1HE2 GLN 131 -3.630 -20.462 1.860 1034 HE22 GLN 131 2HE2 GLN 131 -2.934 -21.178 0.450 1035 H TYR 132 H TYR 132 -7.939 -21.857 4.311 1036 HA TYR 132 HA TYR 132 -8.750 -24.696 4.052 1037 HB2 TYR 132 2HB TYR 132 -7.109 -23.401 6.289 1038 HB3 TYR 132 3HB TYR 132 -7.321 -25.121 5.998 1039 HD1 TYR 132 HD1 TYR 132 -6.827 -24.654 2.819 1040 HD2 TYR 132 HD2 TYR 132 -4.663 -23.716 6.389 1041 HE1 TYR 132 HE1 TYR 132 -4.730 -24.643 1.547 1042 HE2 TYR 132 HE2 TYR 132 -2.561 -23.729 5.114 1043 HH TYR 132 HH TYR 132 -1.698 -24.770 2.990 1044 H ASN 133 H ASN 133 -10.795 -22.669 4.355 1045 HA ASN 133 HA ASN 133 -11.763 -22.759 7.102 1046 HB2 ASN 133 2HB ASN 133 -12.981 -21.627 4.548 1047 HB3 ASN 133 3HB ASN 133 -13.857 -21.656 6.068 1048 HD21 ASN 133 1HD2 ASN 133 -11.594 -20.945 7.759 1049 HD22 ASN 133 2HD2 ASN 133 -11.221 -19.299 7.399 Start of MODEL 8 1 H1 MET 1 1H MET 1 16.793 4.303 -13.142 2 H2 MET 1 2H MET 1 17.200 4.952 -11.641 3 H3 MET 1 3H MET 1 17.295 3.286 -11.891 4 HA MET 1 HA MET 1 19.471 4.232 -11.903 5 HB2 MET 1 2HB MET 1 18.920 2.314 -13.466 6 HB3 MET 1 3HB MET 1 18.638 3.486 -14.746 7 HG2 MET 1 2HG MET 1 21.031 4.241 -14.463 8 HG3 MET 1 3HG MET 1 21.260 2.893 -13.353 9 HE1 MET 1 3HE MET 1 19.209 3.078 -16.774 10 HE2 MET 1 1HE MET 1 20.438 2.466 -17.882 11 HE3 MET 1 2HE MET 1 20.682 4.007 -17.065 12 H GLY 2 H GLY 2 17.115 6.066 -13.608 13 HA2 GLY 2 2HA GLY 2 18.926 7.863 -14.985 14 HA3 GLY 2 3HA GLY 2 17.173 7.972 -14.899 15 H HIS 3 H HIS 3 19.708 7.963 -12.368 16 HA HIS 3 HA HIS 3 18.630 10.262 -11.003 17 HB2 HIS 3 2HB HIS 3 19.811 8.528 -9.716 18 HB3 HIS 3 3HB HIS 3 21.267 8.745 -10.685 19 HD1 HIS 3 HD1 HIS 3 22.965 10.253 -9.676 20 HD2 HIS 3 HD2 HIS 3 19.162 11.048 -8.212 21 HE1 HIS 3 HE1 HIS 3 23.273 12.052 -7.957 22 HE2 HIS 3 HE2 HIS 3 20.983 12.386 -6.974 23 H HIS 4 H HIS 4 18.593 11.930 -12.453 24 HA HIS 4 HA HIS 4 20.440 12.410 -14.505 25 HB2 HIS 4 2HB HIS 4 18.089 13.193 -14.541 26 HB3 HIS 4 3HB HIS 4 18.443 14.338 -13.254 27 HD1 HIS 4 HD1 HIS 4 19.271 13.672 -16.883 28 HD2 HIS 4 HD2 HIS 4 19.463 16.768 -14.114 29 HE1 HIS 4 HE1 HIS 4 19.897 15.717 -18.196 30 HE2 HIS 4 HE2 HIS 4 20.100 17.548 -16.492 31 H HIS 5 H HIS 5 19.873 14.472 -11.651 32 HA HIS 5 HA HIS 5 22.638 14.738 -10.991 33 HB2 HIS 5 2HB HIS 5 22.507 16.275 -12.995 34 HB3 HIS 5 3HB HIS 5 21.281 17.227 -12.168 35 HD1 HIS 5 HD1 HIS 5 22.098 18.880 -10.376 36 HD2 HIS 5 HD2 HIS 5 25.146 16.536 -11.954 37 HE1 HIS 5 HE1 HIS 5 24.233 19.900 -9.543 38 HE2 HIS 5 HE2 HIS 5 26.053 18.561 -10.640 39 H HIS 6 H HIS 6 22.651 15.056 -8.817 40 HA HIS 6 HA HIS 6 20.269 15.450 -7.324 41 HB2 HIS 6 2HB HIS 6 22.188 14.195 -6.412 42 HB3 HIS 6 3HB HIS 6 23.179 15.649 -6.427 43 HD1 HIS 6 HD1 HIS 6 20.208 14.145 -4.602 44 HD2 HIS 6 HD2 HIS 6 22.921 17.264 -4.179 45 HE1 HIS 6 HE1 HIS 6 19.861 15.035 -2.279 46 HE2 HIS 6 HE2 HIS 6 21.582 16.844 -2.013 47 H HIS 7 H HIS 7 19.277 17.332 -7.959 48 HA HIS 7 HA HIS 7 20.563 19.907 -8.020 49 HB2 HIS 7 2HB HIS 7 18.671 19.429 -9.523 50 HB3 HIS 7 3HB HIS 7 17.612 19.122 -8.150 51 HD1 HIS 7 HD1 HIS 7 15.988 21.007 -8.096 52 HD2 HIS 7 HD2 HIS 7 19.833 22.360 -8.907 53 HE1 HIS 7 HE1 HIS 7 15.819 23.510 -8.212 54 HE2 HIS 7 HE2 HIS 7 18.119 24.286 -8.837 55 H HIS 8 H HIS 8 21.140 20.901 -6.227 56 HA HIS 8 HA HIS 8 20.215 20.457 -3.615 57 HB2 HIS 8 2HB HIS 8 22.369 21.519 -3.982 58 HB3 HIS 8 3HB HIS 8 21.633 22.857 -4.853 59 HD1 HIS 8 HD1 HIS 8 21.512 21.387 -1.328 60 HD2 HIS 8 HD2 HIS 8 21.225 25.034 -3.293 61 HE1 HIS 8 HE1 HIS 8 21.246 23.114 0.476 62 HE2 HIS 8 HE2 HIS 8 20.791 25.241 -0.766 63 H SER 9 H SER 9 18.261 20.849 -2.864 64 HA SER 9 HA SER 9 16.398 22.759 -3.957 65 HB2 SER 9 2HB SER 9 14.949 21.908 -2.046 66 HB3 SER 9 3HB SER 9 15.550 20.636 -3.105 67 HG SER 9 HG SER 9 16.048 21.091 -0.442 68 H HIS 10 H HIS 10 15.169 23.926 -1.810 69 HA HIS 10 HA HIS 10 17.036 25.907 -0.819 70 HB2 HIS 10 2HB HIS 10 14.083 25.425 -0.222 71 HB3 HIS 10 3HB HIS 10 15.006 26.799 0.383 72 HD1 HIS 10 HD1 HIS 10 12.526 27.145 -1.461 73 HD2 HIS 10 HD2 HIS 10 16.466 27.126 -2.776 74 HE1 HIS 10 HE1 HIS 10 12.521 28.407 -3.628 75 HE2 HIS 10 HE2 HIS 10 14.904 28.358 -4.418 76 H MET 11 H MET 11 16.383 26.382 1.801 77 HA MET 11 HA MET 11 17.944 24.478 3.197 78 HB2 MET 11 2HB MET 11 16.122 26.633 4.338 79 HB3 MET 11 3HB MET 11 17.292 25.708 5.273 80 HG2 MET 11 2HG MET 11 19.088 26.621 3.746 81 HG3 MET 11 3HG MET 11 17.861 27.698 3.077 82 HE1 MET 11 3HE MET 11 20.155 26.856 6.125 83 HE2 MET 11 1HE MET 11 18.570 26.455 6.795 84 HE3 MET 11 2HE MET 11 19.460 27.848 7.406 85 H ASN 12 H ASN 12 14.490 24.648 2.689 86 HA ASN 12 HA ASN 12 13.719 22.479 4.359 87 HB2 ASN 12 2HB ASN 12 12.599 23.470 1.694 88 HB3 ASN 12 3HB ASN 12 11.842 22.194 2.648 89 HD21 ASN 12 1HD2 ASN 12 10.825 24.834 1.877 90 HD22 ASN 12 2HD2 ASN 12 10.386 25.607 3.357 91 HA PRO 13 HA PRO 13 16.459 19.340 2.576 92 HB2 PRO 13 2HB PRO 13 14.177 17.511 3.372 93 HB3 PRO 13 3HB PRO 13 15.920 17.345 3.695 94 HG2 PRO 13 2HG PRO 13 14.273 18.161 5.604 95 HG3 PRO 13 3HG PRO 13 15.885 18.892 5.438 96 HD2 PRO 13 2HD PRO 13 13.205 20.032 4.720 97 HD3 PRO 13 3HD PRO 13 14.670 20.855 5.305 98 H ASP 14 H ASP 14 13.012 19.302 1.816 99 HA ASP 14 HA ASP 14 13.421 18.990 -1.002 100 HB2 ASP 14 2HB ASP 14 13.788 16.644 -0.312 101 HB3 ASP 14 3HB ASP 14 12.270 16.639 0.581 102 H LEU 15 H LEU 15 11.954 20.433 -1.656 103 HA LEU 15 HA LEU 15 9.662 21.279 -0.275 104 HB2 LEU 15 2HB LEU 15 10.331 21.506 -3.241 105 HB3 LEU 15 3HB LEU 15 8.984 22.326 -2.466 106 HG LEU 15 HG LEU 15 10.812 23.380 -0.905 107 HD11 LEU 15 1HD1 LEU 15 12.699 22.027 -1.526 108 HD12 LEU 15 2HD1 LEU 15 13.016 23.717 -1.897 109 HD13 LEU 15 3HD1 LEU 15 12.604 22.592 -3.196 110 HD21 LEU 15 3HD2 LEU 15 10.592 24.275 -3.796 111 HD22 LEU 15 1HD2 LEU 15 11.155 25.270 -2.447 112 HD23 LEU 15 2HD2 LEU 15 9.489 24.698 -2.485 113 H ALA 16 H ALA 16 10.173 18.747 -2.627 114 HA ALA 16 HA ALA 16 7.519 18.028 -3.230 115 HB1 ALA 16 3HB ALA 16 8.479 15.897 -3.992 116 HB2 ALA 16 1HB ALA 16 10.004 16.284 -3.187 117 HB3 ALA 16 2HB ALA 16 9.443 17.265 -4.542 118 H LEU 17 H LEU 17 9.433 17.433 -0.325 119 HA LEU 17 HA LEU 17 7.748 15.246 0.565 120 HB2 LEU 17 2HB LEU 17 9.217 14.918 2.300 121 HB3 LEU 17 3HB LEU 17 10.270 15.706 1.152 122 HG LEU 17 HG LEU 17 9.642 17.912 2.549 123 HD11 LEU 17 1HD1 LEU 17 9.334 17.516 4.943 124 HD12 LEU 17 2HD1 LEU 17 9.221 15.776 4.661 125 HD13 LEU 17 3HD1 LEU 17 7.985 16.855 4.017 126 HD21 LEU 17 3HD2 LEU 17 11.634 17.572 3.973 127 HD22 LEU 17 1HD2 LEU 17 11.920 17.065 2.309 128 HD23 LEU 17 2HD2 LEU 17 11.636 15.854 3.561 129 H MET 18 H MET 18 7.598 18.685 0.636 130 HA MET 18 HA MET 18 6.128 18.971 3.117 131 HB2 MET 18 2HB MET 18 6.501 20.945 0.813 132 HB3 MET 18 3HB MET 18 5.874 21.343 2.412 133 HG2 MET 18 2HG MET 18 8.668 20.334 1.812 134 HG3 MET 18 3HG MET 18 8.225 22.000 2.195 135 HE1 MET 18 3HE MET 18 10.202 21.834 4.135 136 HE2 MET 18 1HE MET 18 10.464 20.136 3.726 137 HE3 MET 18 2HE MET 18 10.173 20.606 5.400 138 H VAL 19 H VAL 19 5.335 18.623 -0.266 139 HA VAL 19 HA VAL 19 2.560 19.372 -0.042 140 HB VAL 19 HB VAL 19 3.853 19.713 -2.130 141 HG11 VAL 19 1HG1 VAL 19 5.278 17.766 -2.132 142 HG12 VAL 19 2HG1 VAL 19 4.331 17.781 -3.618 143 HG13 VAL 19 3HG1 VAL 19 3.889 16.688 -2.309 144 HG21 VAL 19 3HG2 VAL 19 2.138 18.968 -3.735 145 HG22 VAL 19 1HG2 VAL 19 1.390 19.588 -2.262 146 HG23 VAL 19 2HG2 VAL 19 1.480 17.848 -2.539 147 H LYS 20 H LYS 20 4.336 16.305 0.154 148 HA LYS 20 HA LYS 20 2.012 14.649 -0.195 149 HB2 LYS 20 2HB LYS 20 3.382 12.769 0.353 150 HB3 LYS 20 3HB LYS 20 4.352 13.859 -0.626 151 HG2 LYS 20 2HG LYS 20 5.481 14.671 1.443 152 HG3 LYS 20 3HG LYS 20 4.544 13.509 2.382 153 HD2 LYS 20 2HD LYS 20 6.799 12.643 1.943 154 HD3 LYS 20 3HD LYS 20 5.591 11.644 1.134 155 HE2 LYS 20 2HE LYS 20 6.067 12.845 -0.993 156 HE3 LYS 20 3HE LYS 20 7.307 13.783 -0.157 157 HZ1 LYS 20 3HZ LYS 20 8.192 11.901 -1.410 158 HZ2 LYS 20 1HZ LYS 20 7.333 10.836 -0.421 159 HZ3 LYS 20 2HZ LYS 20 8.546 11.807 0.229 160 H ASN 21 H ASN 21 3.565 16.221 2.508 161 HA ASN 21 HA ASN 21 2.511 14.814 4.690 162 HB2 ASN 21 2HB ASN 21 3.287 17.755 4.459 163 HB3 ASN 21 3HB ASN 21 2.929 16.953 5.987 164 HD21 ASN 21 1HD2 ASN 21 5.399 18.219 4.984 165 HD22 ASN 21 2HD2 ASN 21 6.621 17.017 5.161 166 H LYS 22 H LYS 22 1.294 17.782 3.137 167 HA LYS 22 HA LYS 22 -1.138 17.910 4.603 168 HB2 LYS 22 2HB LYS 22 -1.833 19.545 2.733 169 HB3 LYS 22 3HB LYS 22 -0.440 19.961 3.710 170 HG2 LYS 22 2HG LYS 22 0.526 20.449 1.711 171 HG3 LYS 22 3HG LYS 22 0.829 18.718 1.649 172 HD2 LYS 22 2HD LYS 22 -0.059 19.277 -0.479 173 HD3 LYS 22 3HD LYS 22 -1.403 18.514 0.376 174 HE2 LYS 22 2HE LYS 22 -2.333 20.743 0.893 175 HE3 LYS 22 3HE LYS 22 -0.979 21.512 0.061 176 HZ1 LYS 22 3HZ LYS 22 -1.691 20.527 -1.990 177 HZ2 LYS 22 1HZ LYS 22 -2.983 21.366 -1.309 178 HZ3 LYS 22 2HZ LYS 22 -2.935 19.683 -1.224 179 H GLY 23 H GLY 23 -0.212 16.209 1.672 180 HA2 GLY 23 2HA GLY 23 -2.756 15.350 0.774 181 HA3 GLY 23 3HA GLY 23 -1.238 14.502 0.517 182 H ASN 24 H ASN 24 -0.511 13.923 3.143 183 HA ASN 24 HA ASN 24 -2.069 11.660 3.839 184 HB2 ASN 24 2HB ASN 24 0.094 13.125 5.417 185 HB3 ASN 24 3HB ASN 24 -0.648 11.630 5.964 186 HD21 ASN 24 1HD2 ASN 24 1.697 13.007 3.855 187 HD22 ASN 24 2HD2 ASN 24 2.297 11.526 3.203 188 H GLU 25 H GLU 25 -1.906 14.975 5.129 189 HA GLU 25 HA GLU 25 -3.515 14.457 7.415 190 HB2 GLU 25 2HB GLU 25 -2.980 16.566 8.064 191 HB3 GLU 25 3HB GLU 25 -1.894 16.578 6.687 192 HG2 GLU 25 2HG GLU 25 -3.692 17.704 5.353 193 HG3 GLU 25 3HG GLU 25 -4.692 17.756 6.802 194 H CYS 26 H CYS 26 -4.268 15.488 4.104 195 HA CYS 26 HA CYS 26 -6.975 16.117 4.406 196 HB2 CYS 26 2HB CYS 26 -5.566 14.812 2.069 197 HB3 CYS 26 3HB CYS 26 -7.207 15.454 2.003 198 HG CYS 26 HG CYS 26 -4.984 17.636 3.184 199 H PHE 27 H PHE 27 -5.484 12.937 3.779 200 HA PHE 27 HA PHE 27 -7.751 11.314 3.661 201 HB2 PHE 27 2HB PHE 27 -5.410 10.605 3.115 202 HB3 PHE 27 3HB PHE 27 -5.009 10.639 4.824 203 HD1 PHE 27 HD2 PHE 27 -7.228 8.945 2.328 204 HD2 PHE 27 HD1 PHE 27 -5.333 8.707 6.145 205 HE1 PHE 27 HE2 PHE 27 -7.888 6.584 2.512 206 HE2 PHE 27 HE1 PHE 27 -5.993 6.341 6.329 207 HZ PHE 27 HZ PHE 27 -7.273 5.279 4.510 208 H GLN 28 H GLN 28 -5.840 12.388 6.415 209 HA GLN 28 HA GLN 28 -7.182 11.068 8.520 210 HB2 GLN 28 2HB GLN 28 -4.913 12.008 8.729 211 HB3 GLN 28 3HB GLN 28 -5.531 13.633 8.478 212 HG2 GLN 28 2HG GLN 28 -5.016 13.284 10.825 213 HG3 GLN 28 3HG GLN 28 -6.756 13.504 10.616 214 HE21 GLN 28 1HE2 GLN 28 -5.006 10.484 9.948 215 HE22 GLN 28 2HE2 GLN 28 -5.728 9.573 11.220 216 H LYS 29 H LYS 29 -8.012 13.997 6.703 217 HA LYS 29 HA LYS 29 -9.851 15.046 8.691 218 HB2 LYS 29 2HB LYS 29 -9.899 15.737 5.719 219 HB3 LYS 29 3HB LYS 29 -10.497 16.702 7.062 220 HG2 LYS 29 2HG LYS 29 -7.616 16.156 6.339 221 HG3 LYS 29 3HG LYS 29 -8.467 17.688 6.192 222 HD2 LYS 29 2HD LYS 29 -7.928 16.296 8.847 223 HD3 LYS 29 3HD LYS 29 -6.868 17.520 8.147 224 HE2 LYS 29 2HE LYS 29 -8.648 19.173 8.241 225 HE3 LYS 29 3HE LYS 29 -9.781 17.960 8.848 226 HZ1 LYS 29 3HZ LYS 29 -8.926 19.336 10.634 227 HZ2 LYS 29 1HZ LYS 29 -7.340 18.905 10.247 228 HZ3 LYS 29 2HZ LYS 29 -8.411 17.739 10.831 229 H GLY 30 H GLY 30 -9.940 12.525 6.373 230 HA2 GLY 30 2HA GLY 30 -11.795 10.956 6.429 231 HA3 GLY 30 3HA GLY 30 -12.909 12.313 6.520 232 H ASP 31 H ASP 31 -10.475 13.190 4.439 233 HA ASP 31 HA ASP 31 -12.120 12.760 2.076 234 HB2 ASP 31 2HB ASP 31 -9.392 14.108 2.436 235 HB3 ASP 31 3HB ASP 31 -10.303 14.068 0.935 236 H TYR 32 H TYR 32 -11.972 10.383 2.085 237 HA TYR 32 HA TYR 32 -9.483 9.028 1.715 238 HB2 TYR 32 2HB TYR 32 -12.382 8.160 1.363 239 HB3 TYR 32 3HB TYR 32 -11.049 7.079 0.960 240 HD1 TYR 32 HD1 TYR 32 -12.035 9.344 3.820 241 HD2 TYR 32 HD2 TYR 32 -10.454 5.548 2.655 242 HE1 TYR 32 HE1 TYR 32 -11.877 8.688 6.180 243 HE2 TYR 32 HE2 TYR 32 -10.296 4.894 5.014 244 HH TYR 32 HH TYR 32 -11.785 6.686 7.526 245 HA PRO 33 HA PRO 33 -10.507 9.018 -3.058 246 HB2 PRO 33 2HB PRO 33 -12.217 10.955 -4.029 247 HB3 PRO 33 3HB PRO 33 -12.754 9.330 -3.559 248 HG2 PRO 33 2HG PRO 33 -12.911 11.884 -1.983 249 HG3 PRO 33 3HG PRO 33 -14.147 10.621 -2.206 250 HD2 PRO 33 2HD PRO 33 -12.630 10.757 0.035 251 HD3 PRO 33 3HD PRO 33 -13.164 9.199 -0.644 252 H GLN 34 H GLN 34 -10.964 12.280 -1.670 253 HA GLN 34 HA GLN 34 -9.439 13.714 -3.533 254 HB2 GLN 34 2HB GLN 34 -10.069 14.432 -0.651 255 HB3 GLN 34 3HB GLN 34 -9.482 15.555 -1.861 256 HG2 GLN 34 2HG GLN 34 -12.113 14.068 -2.102 257 HG3 GLN 34 3HG GLN 34 -11.960 15.660 -1.365 258 HE21 GLN 34 1HE2 GLN 34 -11.835 13.872 -4.352 259 HE22 GLN 34 2HE2 GLN 34 -11.880 15.244 -5.405 260 H ALA 35 H ALA 35 -8.509 12.009 -0.566 261 HA ALA 35 HA ALA 35 -5.968 13.016 -0.071 262 HB1 ALA 35 3HB ALA 35 -7.012 11.383 1.420 263 HB2 ALA 35 1HB ALA 35 -5.414 10.823 0.933 264 HB3 ALA 35 2HB ALA 35 -6.863 10.125 0.195 265 H MET 36 H MET 36 -7.021 10.601 -2.476 266 HA MET 36 HA MET 36 -4.385 9.758 -3.249 267 HB2 MET 36 2HB MET 36 -6.953 9.584 -4.876 268 HB3 MET 36 3HB MET 36 -5.487 8.643 -5.132 269 HG2 MET 36 2HG MET 36 -5.829 7.525 -2.965 270 HG3 MET 36 3HG MET 36 -7.297 8.474 -2.712 271 HE1 MET 36 3HE MET 36 -9.401 8.360 -4.480 272 HE2 MET 36 1HE MET 36 -9.499 7.157 -5.767 273 HE3 MET 36 2HE MET 36 -8.338 8.478 -5.885 274 H LYS 37 H LYS 37 -6.644 12.201 -4.347 275 HA LYS 37 HA LYS 37 -5.220 13.055 -6.682 276 HB2 LYS 37 2HB LYS 37 -7.249 14.628 -5.033 277 HB3 LYS 37 3HB LYS 37 -6.813 14.905 -6.721 278 HG2 LYS 37 2HG LYS 37 -7.783 12.707 -7.332 279 HG3 LYS 37 3HG LYS 37 -8.215 12.438 -5.640 280 HD2 LYS 37 2HD LYS 37 -9.689 14.440 -5.710 281 HD3 LYS 37 3HD LYS 37 -9.281 14.669 -7.415 282 HE2 LYS 37 2HE LYS 37 -10.688 12.247 -6.244 283 HE3 LYS 37 3HE LYS 37 -11.462 13.561 -7.127 284 HZ1 LYS 37 3HZ LYS 37 -9.426 11.709 -8.236 285 HZ2 LYS 37 1HZ LYS 37 -10.185 12.959 -9.079 286 HZ3 LYS 37 2HZ LYS 37 -11.088 11.641 -8.529 287 H HIS 38 H HIS 38 -5.178 13.898 -3.286 288 HA HIS 38 HA HIS 38 -3.373 16.156 -3.543 289 HB2 HIS 38 2HB HIS 38 -4.374 14.626 -1.103 290 HB3 HIS 38 3HB HIS 38 -3.306 16.026 -1.013 291 HD1 HIS 38 HD1 HIS 38 -4.613 17.958 -2.931 292 HD2 HIS 38 HD2 HIS 38 -6.810 15.617 -0.315 293 HE1 HIS 38 HE1 HIS 38 -6.789 19.152 -2.650 294 HE2 HIS 38 HE2 HIS 38 -8.163 17.608 -1.237 295 H TYR 39 H TYR 39 -3.087 12.704 -3.200 296 HA TYR 39 HA TYR 39 -0.222 12.735 -2.792 297 HB2 TYR 39 2HB TYR 39 -2.158 10.521 -3.606 298 HB3 TYR 39 3HB TYR 39 -0.421 10.265 -3.499 299 HD1 TYR 39 HD2 TYR 39 0.408 11.615 -1.041 300 HD2 TYR 39 HD1 TYR 39 -3.168 9.381 -1.796 301 HE1 TYR 39 HE2 TYR 39 0.213 11.089 1.353 302 HE2 TYR 39 HE1 TYR 39 -3.349 8.878 0.600 303 HH TYR 39 HH TYR 39 -1.487 10.423 2.961 304 H THR 40 H THR 40 -2.383 13.024 -5.523 305 HA THR 40 HA THR 40 -0.581 12.227 -7.582 306 HB THR 40 HB THR 40 -2.952 14.141 -7.835 307 HG1 THR 40 HG1 THR 40 -4.173 12.311 -8.173 308 HG21 THR 40 3HG2 THR 40 -3.031 13.371 -10.184 309 HG22 THR 40 1HG2 THR 40 -1.599 12.370 -9.924 310 HG23 THR 40 2HG2 THR 40 -1.476 14.129 -9.840 311 H GLU 41 H GLU 41 -1.510 15.429 -6.269 312 HA GLU 41 HA GLU 41 0.268 16.992 -7.818 313 HB2 GLU 41 2HB GLU 41 -0.083 18.772 -6.144 314 HB3 GLU 41 3HB GLU 41 -1.603 18.025 -6.617 315 HG2 GLU 41 2HG GLU 41 -1.674 16.757 -4.535 316 HG3 GLU 41 3HG GLU 41 -0.095 17.379 -4.064 317 H ALA 42 H ALA 42 0.724 15.072 -4.935 318 HA ALA 42 HA ALA 42 3.339 15.991 -4.240 319 HB1 ALA 42 3HB ALA 42 1.888 14.879 -2.604 320 HB2 ALA 42 1HB ALA 42 3.420 14.021 -2.774 321 HB3 ALA 42 2HB ALA 42 1.959 13.383 -3.536 322 H ILE 43 H ILE 43 2.113 13.270 -6.185 323 HA ILE 43 HA ILE 43 4.585 12.020 -6.783 324 HB ILE 43 HB ILE 43 1.843 11.947 -8.106 325 HG12 ILE 43 2HG1 ILE 43 3.412 9.809 -6.582 326 HG13 ILE 43 3HG1 ILE 43 2.157 10.826 -5.885 327 HG21 ILE 43 1HG2 ILE 43 2.583 10.077 -9.549 328 HG22 ILE 43 2HG2 ILE 43 4.246 10.319 -9.009 329 HG23 ILE 43 3HG2 ILE 43 3.430 11.576 -9.940 330 HD11 ILE 43 3HD1 ILE 43 0.526 9.839 -7.425 331 HD12 ILE 43 1HD1 ILE 43 1.292 8.649 -6.373 332 HD13 ILE 43 2HD1 ILE 43 1.791 8.782 -8.059 333 H LYS 44 H LYS 44 2.852 14.703 -8.290 334 HA LYS 44 HA LYS 44 4.325 15.010 -10.675 335 HB2 LYS 44 2HB LYS 44 3.170 17.243 -8.939 336 HB3 LYS 44 3HB LYS 44 3.639 17.397 -10.630 337 HG2 LYS 44 2HG LYS 44 1.358 15.754 -9.516 338 HG3 LYS 44 3HG LYS 44 1.237 17.233 -10.469 339 HD2 LYS 44 2HD LYS 44 2.241 16.039 -12.416 340 HD3 LYS 44 3HD LYS 44 2.325 14.559 -11.452 341 HE2 LYS 44 2HE LYS 44 0.366 14.535 -12.932 342 HE3 LYS 44 3HE LYS 44 -0.135 14.550 -11.241 343 HZ1 LYS 44 3HZ LYS 44 -0.668 16.846 -11.392 344 HZ2 LYS 44 1HZ LYS 44 -1.397 16.079 -12.707 345 HZ3 LYS 44 2HZ LYS 44 0.008 16.986 -12.932 346 H ARG 45 H ARG 45 5.113 15.771 -7.378 347 HA ARG 45 HA ARG 45 7.478 17.362 -8.014 348 HB2 ARG 45 2HB ARG 45 6.639 16.374 -5.260 349 HB3 ARG 45 3HB ARG 45 7.626 17.773 -5.665 350 HG2 ARG 45 2HG ARG 45 4.661 17.487 -6.141 351 HG3 ARG 45 3HG ARG 45 5.424 18.404 -4.846 352 HD2 ARG 45 2HD ARG 45 6.294 20.017 -6.379 353 HD3 ARG 45 3HD ARG 45 5.865 19.013 -7.769 354 HE ARG 45 HE ARG 45 3.813 20.108 -5.952 355 HH11 ARG 45 1HH1 ARG 45 5.050 19.717 -9.221 356 HH12 ARG 45 2HH1 ARG 45 3.649 20.431 -9.958 357 HH21 ARG 45 1HH2 ARG 45 2.005 21.029 -6.895 358 HH22 ARG 45 2HH2 ARG 45 1.907 21.180 -8.621 359 H ASN 46 H ASN 46 6.617 14.255 -6.522 360 HA ASN 46 HA ASN 46 9.379 13.249 -6.816 361 HB2 ASN 46 2HB ASN 46 8.880 11.869 -4.676 362 HB3 ASN 46 3HB ASN 46 9.264 13.568 -4.479 363 HD21 ASN 46 1HD2 ASN 46 6.596 11.234 -4.460 364 HD22 ASN 46 2HD2 ASN 46 5.545 12.189 -3.484 365 HA PRO 47 HA PRO 47 6.592 10.236 -9.003 366 HB2 PRO 47 2HB PRO 47 7.953 10.067 -11.338 367 HB3 PRO 47 3HB PRO 47 6.913 11.464 -10.981 368 HG2 PRO 47 2HG PRO 47 9.898 11.240 -10.753 369 HG3 PRO 47 3HG PRO 47 8.922 12.552 -11.451 370 HD2 PRO 47 2HD PRO 47 9.953 12.631 -8.895 371 HD3 PRO 47 3HD PRO 47 8.487 13.505 -9.388 372 H LYS 48 H LYS 48 9.897 10.261 -8.048 373 HA LYS 48 HA LYS 48 10.468 7.468 -8.577 374 HB2 LYS 48 2HB LYS 48 11.977 9.633 -7.034 375 HB3 LYS 48 3HB LYS 48 12.587 8.005 -7.302 376 HG2 LYS 48 2HG LYS 48 11.971 10.036 -9.466 377 HG3 LYS 48 3HG LYS 48 13.581 9.598 -8.878 378 HD2 LYS 48 2HD LYS 48 11.615 7.763 -10.294 379 HD3 LYS 48 3HD LYS 48 13.098 8.428 -10.981 380 HE2 LYS 48 2HE LYS 48 14.438 7.146 -9.366 381 HE3 LYS 48 3HE LYS 48 12.974 6.528 -8.604 382 HZ1 LYS 48 3HZ LYS 48 13.803 6.003 -11.404 383 HZ2 LYS 48 1HZ LYS 48 12.399 5.429 -10.671 384 HZ3 LYS 48 2HZ LYS 48 13.910 4.912 -10.123 385 H ASP 49 H ASP 49 8.679 9.078 -6.288 386 HA ASP 49 HA ASP 49 9.546 7.636 -3.913 387 HB2 ASP 49 2HB ASP 49 8.877 10.147 -4.117 388 HB3 ASP 49 3HB ASP 49 7.215 9.582 -4.163 389 H ALA 50 H ALA 50 8.964 5.508 -4.287 390 HA ALA 50 HA ALA 50 6.681 4.633 -5.710 391 HB1 ALA 50 3HB ALA 50 8.826 3.409 -5.567 392 HB2 ALA 50 1HB ALA 50 7.432 2.394 -5.202 393 HB3 ALA 50 2HB ALA 50 8.460 2.990 -3.895 394 H LYS 51 H LYS 51 7.325 4.734 -2.231 395 HA LYS 51 HA LYS 51 5.038 3.322 -1.377 396 HB2 LYS 51 2HB LYS 51 5.533 3.994 0.847 397 HB3 LYS 51 3HB LYS 51 7.079 3.803 0.047 398 HG2 LYS 51 2HG LYS 51 5.718 6.463 0.634 399 HG3 LYS 51 3HG LYS 51 7.022 5.745 1.581 400 HD2 LYS 51 2HD LYS 51 7.177 6.743 -1.282 401 HD3 LYS 51 3HD LYS 51 7.889 7.503 0.137 402 HE2 LYS 51 2HE LYS 51 8.691 4.816 -1.015 403 HE3 LYS 51 3HE LYS 51 9.563 6.330 -1.239 404 HZ1 LYS 51 3HZ LYS 51 10.086 6.396 1.056 405 HZ2 LYS 51 1HZ LYS 51 10.482 4.855 0.485 406 HZ3 LYS 51 2HZ LYS 51 9.080 5.079 1.401 407 H LEU 52 H LEU 52 5.412 6.562 -2.502 408 HA LEU 52 HA LEU 52 3.078 7.749 -1.388 409 HB2 LEU 52 2HB LEU 52 5.258 8.654 -2.842 410 HB3 LEU 52 3HB LEU 52 4.014 8.724 -4.070 411 HG LEU 52 HG LEU 52 4.423 10.882 -2.840 412 HD11 LEU 52 1HD1 LEU 52 2.078 11.496 -2.542 413 HD12 LEU 52 2HD1 LEU 52 1.608 9.793 -2.567 414 HD13 LEU 52 3HD1 LEU 52 2.312 10.539 -4.003 415 HD21 LEU 52 3HD2 LEU 52 3.640 11.171 -0.550 416 HD22 LEU 52 1HD2 LEU 52 4.861 9.900 -0.599 417 HD23 LEU 52 2HD2 LEU 52 3.152 9.477 -0.454 418 H TYR 53 H TYR 53 3.750 5.969 -4.356 419 HA TYR 53 HA TYR 53 1.137 6.034 -5.497 420 HB2 TYR 53 2HB TYR 53 3.405 4.016 -5.835 421 HB3 TYR 53 3HB TYR 53 1.950 4.052 -6.819 422 HD1 TYR 53 HD2 TYR 53 5.137 5.785 -6.095 423 HD2 TYR 53 HD1 TYR 53 1.677 5.701 -8.600 424 HE1 TYR 53 HE2 TYR 53 6.251 7.305 -7.670 425 HE2 TYR 53 HE1 TYR 53 2.793 7.219 -10.177 426 HH TYR 53 HH TYR 53 6.117 7.886 -10.064 427 H SER 54 H SER 54 2.769 3.929 -3.169 428 HA SER 54 HA SER 54 0.807 1.855 -3.096 429 HB2 SER 54 2HB SER 54 3.024 2.552 -1.133 430 HB3 SER 54 3HB SER 54 2.095 1.049 -1.134 431 HG SER 54 HG SER 54 3.374 1.825 -3.510 432 H ASN 55 H ASN 55 1.222 4.869 -1.307 433 HA ASN 55 HA ASN 55 -0.692 4.429 0.757 434 HB2 ASN 55 2HB ASN 55 0.231 7.026 -0.555 435 HB3 ASN 55 3HB ASN 55 -0.788 6.964 0.880 436 HD21 ASN 55 1HD2 ASN 55 1.904 8.081 0.455 437 HD22 ASN 55 2HD2 ASN 55 2.909 7.345 1.648 438 H ARG 56 H ARG 56 -0.894 5.513 -2.559 439 HA ARG 56 HA ARG 56 -3.642 6.249 -2.650 440 HB2 ARG 56 2HB ARG 56 -1.995 7.008 -4.307 441 HB3 ARG 56 3HB ARG 56 -1.702 5.349 -4.817 442 HG2 ARG 56 2HG ARG 56 -4.098 5.236 -5.581 443 HG3 ARG 56 3HG ARG 56 -4.241 6.959 -5.216 444 HD2 ARG 56 2HD ARG 56 -2.356 5.678 -7.221 445 HD3 ARG 56 3HD ARG 56 -3.775 6.659 -7.590 446 HE ARG 56 HE ARG 56 -1.172 7.574 -6.676 447 HH11 ARG 56 1HH1 ARG 56 -4.511 8.444 -7.329 448 HH12 ARG 56 2HH1 ARG 56 -4.183 10.147 -7.367 449 HH21 ARG 56 1HH2 ARG 56 -0.809 9.809 -6.580 450 HH22 ARG 56 2HH2 ARG 56 -2.107 10.894 -6.946 451 H ALA 57 H ALA 57 -1.854 3.246 -3.414 452 HA ALA 57 HA ALA 57 -4.058 1.636 -4.202 453 HB1 ALA 57 3HB ALA 57 -2.535 -0.266 -3.864 454 HB2 ALA 57 1HB ALA 57 -1.405 0.782 -2.997 455 HB3 ALA 57 2HB ALA 57 -1.725 1.052 -4.710 456 H ALA 58 H ALA 58 -2.659 2.414 -1.094 457 HA ALA 58 HA ALA 58 -4.003 0.547 0.557 458 HB1 ALA 58 3HB ALA 58 -2.923 3.309 1.228 459 HB2 ALA 58 1HB ALA 58 -2.022 1.795 1.299 460 HB3 ALA 58 2HB ALA 58 -3.369 2.070 2.405 461 H CYS 59 H CYS 59 -4.887 3.744 -0.683 462 HA CYS 59 HA CYS 59 -7.416 3.897 0.698 463 HB2 CYS 59 2HB CYS 59 -6.426 5.456 -1.731 464 HB3 CYS 59 3HB CYS 59 -7.800 5.884 -0.709 465 HG CYS 59 HG CYS 59 -4.778 5.582 0.789 466 H TYR 60 H TYR 60 -6.269 2.815 -2.483 467 HA TYR 60 HA TYR 60 -8.683 2.634 -3.873 468 HB2 TYR 60 2HB TYR 60 -6.000 1.290 -4.222 469 HB3 TYR 60 3HB TYR 60 -7.350 0.737 -5.206 470 HD1 TYR 60 HD1 TYR 60 -8.610 3.671 -5.380 471 HD2 TYR 60 HD2 TYR 60 -4.750 2.024 -6.211 472 HE1 TYR 60 HE1 TYR 60 -8.227 5.415 -7.060 473 HE2 TYR 60 HE2 TYR 60 -4.372 3.780 -7.886 474 HH TYR 60 HH TYR 60 -5.713 5.312 -9.312 475 H THR 61 H THR 61 -7.209 0.292 -1.659 476 HA THR 61 HA THR 61 -8.882 -1.909 -2.104 477 HB THR 61 HB THR 61 -8.448 -2.581 0.253 478 HG1 THR 61 HG1 THR 61 -6.884 -0.250 0.631 479 HG21 THR 61 3HG2 THR 61 -5.980 -1.476 -1.143 480 HG22 THR 61 1HG2 THR 61 -6.716 -3.060 -1.425 481 HG23 THR 61 2HG2 THR 61 -5.982 -2.693 0.137 482 H LYS 62 H LYS 62 -9.394 1.021 -0.193 483 HA LYS 62 HA LYS 62 -11.789 0.179 1.166 484 HB2 LYS 62 2HB LYS 62 -10.755 3.016 0.699 485 HB3 LYS 62 3HB LYS 62 -11.872 2.503 1.959 486 HG2 LYS 62 2HG LYS 62 -8.965 1.666 1.741 487 HG3 LYS 62 3HG LYS 62 -9.576 2.928 2.803 488 HD2 LYS 62 2HD LYS 62 -10.520 0.041 2.989 489 HD3 LYS 62 3HD LYS 62 -9.110 0.639 3.863 490 HE2 LYS 62 2HE LYS 62 -10.992 0.685 5.365 491 HE3 LYS 62 3HE LYS 62 -10.580 2.349 4.968 492 HZ1 LYS 62 3HZ LYS 62 -12.972 1.955 4.971 493 HZ2 LYS 62 1HZ LYS 62 -12.811 0.797 3.749 494 HZ3 LYS 62 2HZ LYS 62 -12.440 2.418 3.438 495 H LEU 63 H LEU 63 -11.037 1.691 -1.857 496 HA LEU 63 HA LEU 63 -13.817 2.398 -2.491 497 HB2 LEU 63 2HB LEU 63 -11.262 2.868 -4.090 498 HB3 LEU 63 3HB LEU 63 -12.843 3.564 -4.417 499 HG LEU 63 HG LEU 63 -11.116 4.175 -1.982 500 HD11 LEU 63 1HD1 LEU 63 -10.190 5.140 -4.022 501 HD12 LEU 63 2HD1 LEU 63 -10.826 6.397 -2.965 502 HD13 LEU 63 3HD1 LEU 63 -11.740 5.903 -4.393 503 HD21 LEU 63 3HD2 LEU 63 -13.794 5.364 -2.780 504 HD22 LEU 63 1HD2 LEU 63 -12.771 5.928 -1.454 505 HD23 LEU 63 2HD2 LEU 63 -13.481 4.318 -1.394 506 H LEU 64 H LEU 64 -12.263 -0.413 -2.472 507 HA LEU 64 HA LEU 64 -12.527 -2.418 -3.454 508 HB2 LEU 64 2HB LEU 64 -14.849 -1.036 -4.847 509 HB3 LEU 64 3HB LEU 64 -14.472 -2.720 -5.135 510 HG LEU 64 HG LEU 64 -16.308 -2.603 -3.568 511 HD11 LEU 64 1HD1 LEU 64 -14.713 -4.421 -3.197 512 HD12 LEU 64 2HD1 LEU 64 -15.465 -3.912 -1.689 513 HD13 LEU 64 3HD1 LEU 64 -13.810 -3.419 -2.058 514 HD21 LEU 64 3HD2 LEU 64 -14.577 -0.911 -1.735 515 HD22 LEU 64 1HD2 LEU 64 -16.203 -1.507 -1.382 516 HD23 LEU 64 2HD2 LEU 64 -15.956 -0.336 -2.676 517 H GLU 65 H GLU 65 -11.059 -0.043 -4.885 518 HA GLU 65 HA GLU 65 -10.768 -0.954 -7.616 519 HB2 GLU 65 2HB GLU 65 -9.268 1.188 -6.052 520 HB3 GLU 65 3HB GLU 65 -9.173 0.941 -7.789 521 HG2 GLU 65 2HG GLU 65 -11.619 1.830 -6.236 522 HG3 GLU 65 3HG GLU 65 -10.592 2.856 -7.240 523 H PHE 66 H PHE 66 -10.078 -3.047 -5.946 524 HA PHE 66 HA PHE 66 -7.403 -3.242 -5.118 525 HB2 PHE 66 2HB PHE 66 -9.353 -5.434 -5.914 526 HB3 PHE 66 3HB PHE 66 -7.816 -5.723 -5.119 527 HD1 PHE 66 HD1 PHE 66 -7.496 -5.073 -2.760 528 HD2 PHE 66 HD2 PHE 66 -11.296 -4.636 -4.640 529 HE1 PHE 66 HE1 PHE 66 -8.562 -4.938 -0.557 530 HE2 PHE 66 HE2 PHE 66 -12.353 -4.477 -2.417 531 HZ PHE 66 HZ PHE 66 -10.994 -4.642 -0.381 532 H GLN 67 H GLN 67 -8.870 -3.730 -8.290 533 HA GLN 67 HA GLN 67 -6.845 -5.058 -9.695 534 HB2 GLN 67 2HB GLN 67 -8.654 -2.812 -10.692 535 HB3 GLN 67 3HB GLN 67 -7.697 -3.856 -11.736 536 HG2 GLN 67 2HG GLN 67 -9.995 -4.715 -9.964 537 HG3 GLN 67 3HG GLN 67 -10.042 -4.531 -11.713 538 HE21 GLN 67 1HE2 GLN 67 -8.980 -6.528 -9.083 539 HE22 GLN 67 2HE2 GLN 67 -8.510 -7.894 -10.031 540 H LEU 68 H LEU 68 -7.186 -1.647 -8.815 541 HA LEU 68 HA LEU 68 -4.901 -0.751 -10.349 542 HB2 LEU 68 2HB LEU 68 -6.433 0.729 -8.180 543 HB3 LEU 68 3HB LEU 68 -5.350 1.441 -9.368 544 HG LEU 68 HG LEU 68 -8.093 0.224 -9.878 545 HD11 LEU 68 1HD1 LEU 68 -8.135 2.483 -8.947 546 HD12 LEU 68 2HD1 LEU 68 -8.711 2.473 -10.611 547 HD13 LEU 68 3HD1 LEU 68 -7.085 3.059 -10.247 548 HD21 LEU 68 3HD2 LEU 68 -6.126 1.240 -11.954 549 HD22 LEU 68 1HD2 LEU 68 -7.810 0.806 -12.257 550 HD23 LEU 68 2HD2 LEU 68 -6.664 -0.428 -11.741 551 H ALA 69 H ALA 69 -5.569 -1.808 -7.090 552 HA ALA 69 HA ALA 69 -3.134 -0.999 -5.848 553 HB1 ALA 69 3HB ALA 69 -5.146 -1.553 -4.540 554 HB2 ALA 69 1HB ALA 69 -3.775 -2.543 -4.035 555 HB3 ALA 69 2HB ALA 69 -5.038 -3.237 -5.058 556 H LEU 70 H LEU 70 -4.114 -3.907 -7.646 557 HA LEU 70 HA LEU 70 -1.771 -5.466 -7.169 558 HB2 LEU 70 2HB LEU 70 -3.674 -5.551 -9.542 559 HB3 LEU 70 3HB LEU 70 -2.472 -6.773 -9.169 560 HG LEU 70 HG LEU 70 -5.008 -6.151 -7.625 561 HD11 LEU 70 1HD1 LEU 70 -5.579 -8.480 -8.166 562 HD12 LEU 70 2HD1 LEU 70 -4.074 -8.652 -9.069 563 HD13 LEU 70 3HD1 LEU 70 -5.314 -7.521 -9.619 564 HD21 LEU 70 3HD2 LEU 70 -3.264 -6.541 -5.965 565 HD22 LEU 70 1HD2 LEU 70 -2.769 -8.026 -6.788 566 HD23 LEU 70 2HD2 LEU 70 -4.358 -7.920 -6.026 567 H LYS 71 H LYS 71 -2.717 -3.438 -9.979 568 HA LYS 71 HA LYS 71 -0.273 -3.787 -11.372 569 HB2 LYS 71 2HB LYS 71 -0.992 -2.037 -12.883 570 HB3 LYS 71 3HB LYS 71 -2.336 -3.114 -12.527 571 HG2 LYS 71 2HG LYS 71 -3.217 -1.415 -10.910 572 HG3 LYS 71 3HG LYS 71 -1.902 -0.334 -11.385 573 HD2 LYS 71 2HD LYS 71 -3.953 0.256 -12.587 574 HD3 LYS 71 3HD LYS 71 -2.739 -0.339 -13.723 575 HE2 LYS 71 2HE LYS 71 -3.880 -2.589 -13.640 576 HE3 LYS 71 3HE LYS 71 -5.147 -1.853 -12.653 577 HZ1 LYS 71 3HZ LYS 71 -5.770 -1.940 -14.975 578 HZ2 LYS 71 1HZ LYS 71 -4.412 -1.039 -15.416 579 HZ3 LYS 71 2HZ LYS 71 -5.626 -0.334 -14.476 580 H ASP 72 H ASP 72 -1.346 -1.476 -8.940 581 HA ASP 72 HA ASP 72 0.877 0.248 -8.938 582 HB2 ASP 72 2HB ASP 72 -1.109 0.729 -7.580 583 HB3 ASP 72 3HB ASP 72 -0.824 -0.701 -6.582 584 H CYS 73 H CYS 73 0.357 -2.901 -7.321 585 HA CYS 73 HA CYS 73 2.719 -2.994 -5.796 586 HB2 CYS 73 2HB CYS 73 0.817 -4.550 -5.475 587 HB3 CYS 73 3HB CYS 73 1.200 -5.344 -6.998 588 HG CYS 73 HG CYS 73 2.097 -7.068 -5.088 589 H GLU 74 H GLU 74 2.033 -4.345 -9.042 590 HA GLU 74 HA GLU 74 4.629 -5.529 -9.326 591 HB2 GLU 74 2HB GLU 74 3.960 -5.994 -11.677 592 HB3 GLU 74 3HB GLU 74 2.767 -6.515 -10.494 593 HG2 GLU 74 2HG GLU 74 1.424 -4.492 -10.972 594 HG3 GLU 74 3HG GLU 74 2.607 -4.013 -12.188 595 H GLU 75 H GLU 75 3.479 -2.282 -10.072 596 HA GLU 75 HA GLU 75 5.912 -1.690 -11.606 597 HB2 GLU 75 2HB GLU 75 5.029 0.533 -11.952 598 HB3 GLU 75 3HB GLU 75 3.764 -0.643 -12.281 599 HG2 GLU 75 2HG GLU 75 2.766 -0.152 -10.051 600 HG3 GLU 75 3HG GLU 75 4.004 1.072 -9.785 601 H CYS 76 H CYS 76 4.563 -1.000 -8.404 602 HA CYS 76 HA CYS 76 6.504 0.873 -7.543 603 HB2 CYS 76 2HB CYS 76 4.310 0.727 -6.469 604 HB3 CYS 76 3HB CYS 76 4.668 -0.896 -5.888 605 HG CYS 76 HG CYS 76 6.940 0.193 -4.373 606 H ILE 77 H ILE 77 6.414 -2.630 -7.505 607 HA ILE 77 HA ILE 77 8.498 -3.151 -5.672 608 HB ILE 77 HB ILE 77 6.836 -4.835 -6.604 609 HG12 ILE 77 2HG1 ILE 77 9.029 -5.494 -5.362 610 HG13 ILE 77 3HG1 ILE 77 8.178 -6.746 -6.242 611 HG21 ILE 77 1HG2 ILE 77 7.334 -6.023 -8.697 612 HG22 ILE 77 2HG2 ILE 77 8.663 -4.912 -9.022 613 HG23 ILE 77 3HG2 ILE 77 7.007 -4.313 -8.978 614 HD11 ILE 77 3HD1 ILE 77 10.579 -6.945 -6.501 615 HD12 ILE 77 1HD1 ILE 77 10.671 -5.318 -7.171 616 HD13 ILE 77 2HD1 ILE 77 9.824 -6.589 -8.052 617 H GLN 78 H GLN 78 8.547 -1.972 -8.968 618 HA GLN 78 HA GLN 78 11.273 -2.673 -9.583 619 HB2 GLN 78 2HB GLN 78 9.431 -0.611 -10.880 620 HB3 GLN 78 3HB GLN 78 10.959 -1.172 -11.555 621 HG2 GLN 78 2HG GLN 78 8.555 -2.952 -11.029 622 HG3 GLN 78 3HG GLN 78 8.950 -2.240 -12.589 623 HE21 GLN 78 1HE2 GLN 78 9.975 -4.559 -10.172 624 HE22 GLN 78 2HE2 GLN 78 10.995 -5.483 -11.209 625 H LEU 79 H LEU 79 9.638 0.213 -8.307 626 HA LEU 79 HA LEU 79 12.077 1.801 -8.273 627 HB2 LEU 79 2HB LEU 79 9.323 2.414 -7.124 628 HB3 LEU 79 3HB LEU 79 10.653 3.556 -7.247 629 HG LEU 79 HG LEU 79 9.098 2.323 -9.552 630 HD11 LEU 79 1HD1 LEU 79 9.294 5.201 -8.597 631 HD12 LEU 79 2HD1 LEU 79 7.899 4.131 -8.431 632 HD13 LEU 79 3HD1 LEU 79 8.424 4.645 -10.031 633 HD21 LEU 79 3HD2 LEU 79 11.517 4.155 -9.691 634 HD22 LEU 79 1HD2 LEU 79 10.500 3.685 -11.057 635 HD23 LEU 79 2HD2 LEU 79 11.442 2.466 -10.206 636 H GLU 80 H GLU 80 9.795 0.666 -5.767 637 HA GLU 80 HA GLU 80 11.945 0.045 -3.916 638 HB2 GLU 80 2HB GLU 80 11.503 2.430 -3.410 639 HB3 GLU 80 3HB GLU 80 9.791 2.080 -3.203 640 HG2 GLU 80 2HG GLU 80 10.437 0.515 -1.306 641 HG3 GLU 80 3HG GLU 80 12.080 1.135 -1.452 642 HA PRO 81 HA PRO 81 8.519 -2.958 -3.126 643 HB2 PRO 81 2HB PRO 81 10.066 -5.106 -2.542 644 HB3 PRO 81 3HB PRO 81 9.816 -4.578 -4.219 645 HG2 PRO 81 2HG PRO 81 12.169 -4.087 -2.429 646 HG3 PRO 81 3HG PRO 81 12.141 -4.556 -4.143 647 HD2 PRO 81 2HD PRO 81 12.513 -1.958 -3.272 648 HD3 PRO 81 3HD PRO 81 11.846 -2.378 -4.866 649 H THR 82 H THR 82 10.921 -1.467 -1.214 650 HA THR 82 HA THR 82 10.467 -3.004 1.213 651 HB THR 82 HB THR 82 12.209 -1.540 2.213 652 HG1 THR 82 HG1 THR 82 11.904 0.372 1.106 653 HG21 THR 82 3HG2 THR 82 13.022 -2.652 -0.502 654 HG22 THR 82 1HG2 THR 82 12.920 -3.583 0.996 655 HG23 THR 82 2HG2 THR 82 14.114 -2.293 0.837 656 H PHE 83 H PHE 83 8.420 -0.999 -0.106 657 HA PHE 83 HA PHE 83 7.774 0.767 2.058 658 HB2 PHE 83 2HB PHE 83 5.698 1.222 0.857 659 HB3 PHE 83 3HB PHE 83 7.037 1.232 -0.277 660 HD1 PHE 83 HD1 PHE 83 7.312 -0.710 -1.879 661 HD2 PHE 83 HD2 PHE 83 3.851 -0.329 0.598 662 HE1 PHE 83 HE1 PHE 83 6.095 -2.276 -3.338 663 HE2 PHE 83 HE2 PHE 83 2.638 -1.896 -0.861 664 HZ PHE 83 HZ PHE 83 3.759 -2.867 -2.829 665 H ILE 84 H ILE 84 6.962 0.143 3.965 666 HA ILE 84 HA ILE 84 5.867 -2.554 4.353 667 HB ILE 84 HB ILE 84 6.453 -0.353 6.393 668 HG12 ILE 84 2HG1 ILE 84 8.079 -2.829 5.634 669 HG13 ILE 84 3HG1 ILE 84 8.494 -1.169 5.225 670 HG21 ILE 84 1HG2 ILE 84 6.255 -2.133 8.101 671 HG22 ILE 84 2HG2 ILE 84 5.796 -3.293 6.853 672 HG23 ILE 84 3HG2 ILE 84 4.739 -1.929 7.219 673 HD11 ILE 84 3HD1 ILE 84 8.757 -0.664 7.608 674 HD12 ILE 84 1HD1 ILE 84 9.825 -1.950 7.056 675 HD13 ILE 84 2HD1 ILE 84 8.388 -2.348 7.993 676 H LYS 85 H LYS 85 4.868 0.825 4.896 677 HA LYS 85 HA LYS 85 2.202 0.087 5.724 678 HB2 LYS 85 2HB LYS 85 3.416 2.829 5.178 679 HB3 LYS 85 3HB LYS 85 1.832 2.546 5.892 680 HG2 LYS 85 2HG LYS 85 4.508 1.760 7.097 681 HG3 LYS 85 3HG LYS 85 3.464 3.079 7.636 682 HD2 LYS 85 2HD LYS 85 1.726 1.453 8.307 683 HD3 LYS 85 3HD LYS 85 2.713 0.120 7.701 684 HE2 LYS 85 2HE LYS 85 4.438 0.630 9.397 685 HE3 LYS 85 3HE LYS 85 3.454 1.966 9.998 686 HZ1 LYS 85 3HZ LYS 85 1.754 0.406 10.651 687 HZ2 LYS 85 1HZ LYS 85 3.226 -0.060 11.334 688 HZ3 LYS 85 2HZ LYS 85 2.614 -0.891 9.997 689 H GLY 86 H GLY 86 1.426 -1.034 4.079 690 HA2 GLY 86 2HA GLY 86 -0.174 -0.158 2.100 691 HA3 GLY 86 3HA GLY 86 1.411 -0.175 1.315 692 H TYR 87 H TYR 87 2.426 -2.375 2.942 693 HA TYR 87 HA TYR 87 1.912 -4.523 1.241 694 HB2 TYR 87 2HB TYR 87 3.578 -3.991 3.627 695 HB3 TYR 87 3HB TYR 87 3.009 -5.653 3.608 696 HD1 TYR 87 HD2 TYR 87 3.820 -3.706 0.511 697 HD2 TYR 87 HD1 TYR 87 5.126 -6.680 3.259 698 HE1 TYR 87 HE2 TYR 87 5.639 -4.334 -1.024 699 HE2 TYR 87 HE1 TYR 87 6.929 -7.307 1.743 700 HH TYR 87 HH TYR 87 7.895 -5.448 -0.864 701 H THR 88 H THR 88 0.764 -4.057 4.629 702 HA THR 88 HA THR 88 -0.537 -6.535 4.922 703 HB THR 88 HB THR 88 -1.250 -3.896 6.281 704 HG1 THR 88 HG1 THR 88 0.567 -4.141 7.302 705 HG21 THR 88 3HG2 THR 88 -2.033 -5.292 8.164 706 HG22 THR 88 1HG2 THR 88 -1.684 -6.756 7.243 707 HG23 THR 88 2HG2 THR 88 -2.957 -5.659 6.706 708 H ARG 89 H ARG 89 -1.738 -3.458 3.657 709 HA ARG 89 HA ARG 89 -4.492 -4.276 3.353 710 HB2 ARG 89 2HB ARG 89 -2.997 -1.933 2.095 711 HB3 ARG 89 3HB ARG 89 -4.750 -2.125 2.167 712 HG2 ARG 89 2HG ARG 89 -4.592 -2.057 4.681 713 HG3 ARG 89 3HG ARG 89 -2.870 -1.703 4.512 714 HD2 ARG 89 2HD ARG 89 -3.400 0.350 3.276 715 HD3 ARG 89 3HD ARG 89 -5.125 -0.002 3.390 716 HE ARG 89 HE ARG 89 -3.357 0.987 5.488 717 HH11 ARG 89 1HH1 ARG 89 -6.562 -0.248 4.697 718 HH12 ARG 89 2HH1 ARG 89 -7.289 0.401 6.131 719 HH21 ARG 89 1HH2 ARG 89 -4.338 1.860 7.325 720 HH22 ARG 89 2HH2 ARG 89 -6.023 1.596 7.620 721 H LYS 90 H LYS 90 -1.611 -4.410 1.409 722 HA LYS 90 HA LYS 90 -2.893 -4.946 -1.124 723 HB2 LYS 90 2HB LYS 90 -0.784 -3.681 -0.773 724 HB3 LYS 90 3HB LYS 90 -0.001 -5.145 -0.197 725 HG2 LYS 90 2HG LYS 90 0.068 -6.102 -2.348 726 HG3 LYS 90 3HG LYS 90 -1.174 -5.012 -2.985 727 HD2 LYS 90 2HD LYS 90 1.498 -3.977 -1.974 728 HD3 LYS 90 3HD LYS 90 1.271 -4.507 -3.641 729 HE2 LYS 90 2HE LYS 90 -0.494 -2.817 -3.958 730 HE3 LYS 90 3HE LYS 90 -0.331 -2.319 -2.273 731 HZ1 LYS 90 3HZ LYS 90 0.839 -0.814 -3.713 732 HZ2 LYS 90 1HZ LYS 90 1.738 -2.070 -4.389 733 HZ3 LYS 90 2HZ LYS 90 1.966 -1.644 -2.773 734 H ALA 91 H ALA 91 -1.569 -6.804 1.552 735 HA ALA 91 HA ALA 91 -1.726 -9.405 0.368 736 HB1 ALA 91 3HB ALA 91 -0.418 -8.995 2.414 737 HB2 ALA 91 1HB ALA 91 -1.645 -10.227 2.700 738 HB3 ALA 91 2HB ALA 91 -1.886 -8.582 3.299 739 H ALA 92 H ALA 92 -3.935 -7.275 2.116 740 HA ALA 92 HA ALA 92 -6.232 -8.972 2.155 741 HB1 ALA 92 3HB ALA 92 -5.986 -7.068 3.686 742 HB2 ALA 92 1HB ALA 92 -7.464 -6.911 2.736 743 HB3 ALA 92 2HB ALA 92 -6.044 -5.942 2.329 744 H ALA 93 H ALA 93 -4.858 -6.779 -0.230 745 HA ALA 93 HA ALA 93 -7.015 -6.766 -2.078 746 HB1 ALA 93 3HB ALA 93 -4.041 -6.470 -2.655 747 HB2 ALA 93 1HB ALA 93 -5.147 -5.159 -2.241 748 HB3 ALA 93 2HB ALA 93 -5.361 -6.046 -3.750 749 H LEU 94 H LEU 94 -4.069 -8.744 -1.837 750 HA LEU 94 HA LEU 94 -4.639 -10.541 -3.917 751 HB2 LEU 94 2HB LEU 94 -2.929 -10.866 -1.424 752 HB3 LEU 94 3HB LEU 94 -2.944 -12.026 -2.753 753 HG LEU 94 HG LEU 94 -2.167 -9.094 -3.043 754 HD11 LEU 94 1HD1 LEU 94 -0.503 -10.270 -1.711 755 HD12 LEU 94 2HD1 LEU 94 0.134 -9.847 -3.296 756 HD13 LEU 94 3HD1 LEU 94 -0.351 -11.511 -2.957 757 HD21 LEU 94 3HD2 LEU 94 -3.107 -9.982 -5.098 758 HD22 LEU 94 1HD2 LEU 94 -2.022 -11.376 -5.034 759 HD23 LEU 94 2HD2 LEU 94 -1.371 -9.754 -5.280 760 H GLU 95 H GLU 95 -5.602 -10.602 -0.510 761 HA GLU 95 HA GLU 95 -6.832 -13.092 -0.296 762 HB2 GLU 95 2HB GLU 95 -6.614 -11.547 1.604 763 HB3 GLU 95 3HB GLU 95 -7.704 -10.402 0.832 764 HG2 GLU 95 2HG GLU 95 -9.426 -12.427 0.941 765 HG3 GLU 95 3HG GLU 95 -8.342 -13.012 2.200 766 H ALA 96 H ALA 96 -7.996 -10.100 -1.828 767 HA ALA 96 HA ALA 96 -10.678 -11.017 -2.357 768 HB1 ALA 96 3HB ALA 96 -10.160 -8.612 -2.151 769 HB2 ALA 96 1HB ALA 96 -10.882 -8.969 -3.722 770 HB3 ALA 96 2HB ALA 96 -9.142 -8.696 -3.588 771 H MET 97 H MET 97 -7.586 -11.397 -3.864 772 HA MET 97 HA MET 97 -8.659 -12.210 -6.492 773 HB2 MET 97 2HB MET 97 -5.747 -12.053 -5.550 774 HB3 MET 97 3HB MET 97 -6.322 -12.202 -7.212 775 HG2 MET 97 2HG MET 97 -6.708 -9.823 -5.394 776 HG3 MET 97 3HG MET 97 -5.605 -9.925 -6.769 777 HE1 MET 97 3HE MET 97 -8.832 -7.515 -7.526 778 HE2 MET 97 1HE MET 97 -7.127 -7.457 -7.082 779 HE3 MET 97 2HE MET 97 -8.332 -7.960 -5.893 780 H LYS 98 H LYS 98 -8.409 -13.587 -3.574 781 HA LYS 98 HA LYS 98 -8.394 -15.644 -2.674 782 HB2 LYS 98 2HB LYS 98 -8.393 -16.805 -5.493 783 HB3 LYS 98 3HB LYS 98 -8.960 -17.589 -4.024 784 HG2 LYS 98 2HG LYS 98 -10.245 -15.205 -5.391 785 HG3 LYS 98 3HG LYS 98 -10.831 -16.862 -5.454 786 HD2 LYS 98 2HD LYS 98 -10.547 -15.496 -2.767 787 HD3 LYS 98 3HD LYS 98 -11.915 -15.095 -3.801 788 HE2 LYS 98 2HE LYS 98 -12.515 -16.827 -2.185 789 HE3 LYS 98 3HE LYS 98 -12.612 -17.455 -3.829 790 HZ1 LYS 98 3HZ LYS 98 -10.430 -17.951 -1.874 791 HZ2 LYS 98 1HZ LYS 98 -10.440 -18.508 -3.468 792 HZ3 LYS 98 2HZ LYS 98 -11.602 -19.055 -2.377 793 H ASP 99 H ASP 99 -5.900 -14.250 -3.844 794 HA ASP 99 HA ASP 99 -3.954 -16.406 -4.041 795 HB2 ASP 99 2HB ASP 99 -3.671 -13.372 -4.247 796 HB3 ASP 99 3HB ASP 99 -2.329 -14.496 -4.430 797 H TYR 100 H TYR 100 -5.051 -16.612 -1.646 798 HA TYR 100 HA TYR 100 -3.998 -15.265 0.545 799 HB2 TYR 100 2HB TYR 100 -4.439 -18.278 0.447 800 HB3 TYR 100 3HB TYR 100 -4.590 -17.212 1.843 801 HD1 TYR 100 HD1 TYR 100 -6.335 -15.071 1.114 802 HD2 TYR 100 HD2 TYR 100 -6.514 -19.136 -0.192 803 HE1 TYR 100 HE1 TYR 100 -8.726 -14.823 0.626 804 HE2 TYR 100 HE2 TYR 100 -8.908 -18.880 -0.658 805 HH TYR 100 HH TYR 100 -10.470 -15.795 -0.600 806 H THR 101 H THR 101 -2.665 -17.804 -1.423 807 HA THR 101 HA THR 101 -0.315 -18.472 -0.072 808 HB THR 101 HB THR 101 0.489 -19.230 -2.334 809 HG1 THR 101 HG1 THR 101 -0.481 -18.561 -4.110 810 HG21 THR 101 3HG2 THR 101 -2.405 -19.954 -1.740 811 HG22 THR 101 1HG2 THR 101 -0.987 -20.706 -1.003 812 HG23 THR 101 2HG2 THR 101 -1.286 -20.892 -2.732 813 H LYS 102 H LYS 102 -1.035 -15.796 -2.324 814 HA LYS 102 HA LYS 102 1.774 -14.942 -2.371 815 HB2 LYS 102 2HB LYS 102 -0.694 -13.810 -3.760 816 HB3 LYS 102 3HB LYS 102 0.925 -13.146 -3.927 817 HG2 LYS 102 2HG LYS 102 0.088 -15.940 -4.765 818 HG3 LYS 102 3HG LYS 102 0.274 -14.558 -5.842 819 HD2 LYS 102 2HD LYS 102 2.343 -15.531 -6.177 820 HD3 LYS 102 3HD LYS 102 2.763 -14.530 -4.790 821 HE2 LYS 102 2HE LYS 102 2.324 -16.547 -3.320 822 HE3 LYS 102 3HE LYS 102 2.124 -17.504 -4.788 823 HZ1 LYS 102 3HZ LYS 102 4.414 -16.848 -5.414 824 HZ2 LYS 102 1HZ LYS 102 4.345 -17.749 -3.984 825 HZ3 LYS 102 2HZ LYS 102 4.587 -16.082 -3.915 826 H ALA 103 H ALA 103 -1.170 -14.232 -0.728 827 HA ALA 103 HA ALA 103 -0.554 -11.653 0.276 828 HB1 ALA 103 3HB ALA 103 -2.837 -12.557 0.325 829 HB2 ALA 103 1HB ALA 103 -2.308 -12.124 1.952 830 HB3 ALA 103 2HB ALA 103 -2.340 -13.820 1.455 831 H MET 104 H MET 104 -0.040 -14.965 1.513 832 HA MET 104 HA MET 104 1.314 -14.167 3.899 833 HB2 MET 104 2HB MET 104 1.793 -16.506 4.256 834 HB3 MET 104 3HB MET 104 0.157 -16.345 3.661 835 HG2 MET 104 2HG MET 104 0.970 -17.001 1.402 836 HG3 MET 104 3HG MET 104 2.560 -17.292 2.107 837 HE1 MET 104 3HE MET 104 -0.862 -18.014 3.964 838 HE2 MET 104 1HE MET 104 -1.202 -19.651 3.399 839 HE3 MET 104 2HE MET 104 -1.256 -18.300 2.267 840 H ASP 105 H ASP 105 2.423 -14.725 0.603 841 HA ASP 105 HA ASP 105 5.219 -14.581 1.098 842 HB2 ASP 105 2HB ASP 105 3.513 -13.872 -1.316 843 HB3 ASP 105 3HB ASP 105 5.225 -13.469 -1.306 844 H VAL 106 H VAL 106 2.661 -12.124 0.910 845 HA VAL 106 HA VAL 106 4.465 -9.850 0.858 846 HB VAL 106 HB VAL 106 1.445 -10.066 1.306 847 HG11 VAL 106 1HG1 VAL 106 2.257 -8.055 2.460 848 HG12 VAL 106 2HG1 VAL 106 1.328 -7.618 1.028 849 HG13 VAL 106 3HG1 VAL 106 3.091 -7.530 0.993 850 HG21 VAL 106 3HG2 VAL 106 2.195 -10.638 -0.975 851 HG22 VAL 106 1HG2 VAL 106 3.040 -9.092 -1.099 852 HG23 VAL 106 2HG2 VAL 106 1.279 -9.132 -0.974 853 H TYR 107 H TYR 107 2.649 -11.675 3.259 854 HA TYR 107 HA TYR 107 3.126 -10.175 5.595 855 HB2 TYR 107 2HB TYR 107 1.561 -11.852 5.981 856 HB3 TYR 107 3HB TYR 107 2.340 -12.992 4.902 857 HD1 TYR 107 HD2 TYR 107 2.531 -11.552 8.360 858 HD2 TYR 107 HD1 TYR 107 3.705 -14.749 5.776 859 HE1 TYR 107 HE2 TYR 107 3.363 -12.819 10.284 860 HE2 TYR 107 HE1 TYR 107 4.537 -16.007 7.714 861 HH TYR 107 HH TYR 107 5.340 -15.514 10.030 862 H GLN 108 H GLN 108 4.953 -12.873 4.153 863 HA GLN 108 HA GLN 108 6.970 -13.121 6.097 864 HB2 GLN 108 2HB GLN 108 6.268 -14.754 4.194 865 HB3 GLN 108 3HB GLN 108 7.303 -13.806 3.145 866 HG2 GLN 108 2HG GLN 108 8.314 -15.141 5.663 867 HG3 GLN 108 3HG GLN 108 8.285 -15.954 4.101 868 HE21 GLN 108 1HE2 GLN 108 9.752 -13.395 5.961 869 HE22 GLN 108 2HE2 GLN 108 11.119 -13.157 4.934 870 H LYS 109 H LYS 109 6.997 -11.556 2.897 871 HA LYS 109 HA LYS 109 9.460 -10.291 3.030 872 HB2 LYS 109 2HB LYS 109 6.922 -9.621 1.494 873 HB3 LYS 109 3HB LYS 109 8.401 -8.682 1.297 874 HG2 LYS 109 2HG LYS 109 8.078 -11.643 0.752 875 HG3 LYS 109 3HG LYS 109 8.190 -10.366 -0.464 876 HD2 LYS 109 2HD LYS 109 10.370 -11.205 1.491 877 HD3 LYS 109 3HD LYS 109 10.331 -11.519 -0.240 878 HE2 LYS 109 2HE LYS 109 10.461 -9.082 -0.687 879 HE3 LYS 109 3HE LYS 109 10.491 -8.773 1.051 880 HZ1 LYS 109 3HZ LYS 109 12.545 -10.312 -0.441 881 HZ2 LYS 109 1HZ LYS 109 12.581 -9.944 1.208 882 HZ3 LYS 109 2HZ LYS 109 12.696 -8.711 0.061 883 H ALA 110 H ALA 110 6.314 -9.197 4.266 884 HA ALA 110 HA ALA 110 7.009 -6.525 4.846 885 HB1 ALA 110 3HB ALA 110 4.668 -7.339 4.854 886 HB2 ALA 110 1HB ALA 110 5.075 -6.498 6.347 887 HB3 ALA 110 2HB ALA 110 4.992 -8.262 6.323 888 H LEU 111 H LEU 111 7.075 -9.453 6.929 889 HA LEU 111 HA LEU 111 8.299 -8.245 9.190 890 HB2 LEU 111 2HB LEU 111 8.362 -11.139 8.278 891 HB3 LEU 111 3HB LEU 111 8.914 -10.593 9.855 892 HG LEU 111 HG LEU 111 6.044 -10.311 8.861 893 HD11 LEU 111 1HD1 LEU 111 6.668 -12.673 9.119 894 HD12 LEU 111 2HD1 LEU 111 5.484 -12.162 10.329 895 HD13 LEU 111 3HD1 LEU 111 7.183 -12.363 10.785 896 HD21 LEU 111 3HD2 LEU 111 7.201 -9.904 11.647 897 HD22 LEU 111 1HD2 LEU 111 5.493 -9.815 11.208 898 HD23 LEU 111 2HD2 LEU 111 6.628 -8.634 10.566 899 H ASP 112 H ASP 112 9.607 -9.674 6.275 900 HA ASP 112 HA ASP 112 12.352 -9.774 6.967 901 HB2 ASP 112 2HB ASP 112 11.504 -11.055 5.083 902 HB3 ASP 112 3HB ASP 112 10.924 -9.603 4.276 903 H LEU 113 H LEU 113 10.286 -7.141 5.875 904 HA LEU 113 HA LEU 113 12.422 -5.280 5.338 905 HB2 LEU 113 2HB LEU 113 9.479 -4.716 5.878 906 HB3 LEU 113 3HB LEU 113 10.637 -3.580 5.203 907 HG LEU 113 HG LEU 113 9.624 -6.110 3.869 908 HD11 LEU 113 1HD1 LEU 113 9.072 -3.216 3.204 909 HD12 LEU 113 2HD1 LEU 113 7.932 -4.389 3.870 910 HD13 LEU 113 3HD1 LEU 113 8.564 -4.606 2.239 911 HD21 LEU 113 3HD2 LEU 113 11.934 -5.795 3.238 912 HD22 LEU 113 1HD2 LEU 113 11.633 -4.105 2.828 913 HD23 LEU 113 2HD2 LEU 113 10.896 -5.394 1.873 914 H ASP 114 H ASP 114 9.851 -5.072 7.875 915 HA ASP 114 HA ASP 114 11.686 -4.871 10.061 916 HB2 ASP 114 2HB ASP 114 12.079 -2.605 9.154 917 HB3 ASP 114 3HB ASP 114 10.358 -2.262 9.201 918 H SER 115 H SER 115 10.698 -4.743 12.091 919 HA SER 115 HA SER 115 8.429 -6.317 12.389 920 HB2 SER 115 2HB SER 115 8.669 -5.655 14.863 921 HB3 SER 115 3HB SER 115 10.089 -6.357 14.091 922 HG SER 115 HG SER 115 9.765 -3.565 14.096 923 H SER 116 H SER 116 8.467 -2.865 11.939 924 HA SER 116 HA SER 116 5.994 -2.217 13.196 925 HB2 SER 116 2HB SER 116 7.348 -0.902 10.804 926 HB3 SER 116 3HB SER 116 6.029 -0.195 11.745 927 HG SER 116 HG SER 116 8.716 -0.444 12.355 928 H CYS 117 H CYS 117 6.543 -4.339 10.708 929 HA CYS 117 HA CYS 117 3.952 -4.096 9.387 930 HB2 CYS 117 2HB CYS 117 4.788 -5.987 8.084 931 HB3 CYS 117 3HB CYS 117 6.043 -4.746 8.194 932 HG CYS 117 HG CYS 117 7.815 -6.356 9.032 933 H LYS 118 H LYS 118 4.598 -5.163 12.458 934 HA LYS 118 HA LYS 118 3.760 -7.778 12.734 935 HB2 LYS 118 2HB LYS 118 3.136 -5.395 14.508 936 HB3 LYS 118 3HB LYS 118 2.629 -7.018 14.953 937 HG2 LYS 118 2HG LYS 118 5.484 -6.091 14.544 938 HG3 LYS 118 3HG LYS 118 4.703 -6.399 16.088 939 HD2 LYS 118 2HD LYS 118 5.287 -8.477 13.938 940 HD3 LYS 118 3HD LYS 118 6.192 -8.261 15.436 941 HE2 LYS 118 2HE LYS 118 3.285 -9.116 15.206 942 HE3 LYS 118 3HE LYS 118 4.649 -10.142 15.639 943 HZ1 LYS 118 3HZ LYS 118 3.670 -7.835 17.221 944 HZ2 LYS 118 1HZ LYS 118 4.964 -8.834 17.633 945 HZ3 LYS 118 2HZ LYS 118 3.399 -9.462 17.573 946 H GLU 119 H GLU 119 1.687 -5.047 12.022 947 HA GLU 119 HA GLU 119 -0.866 -6.055 12.221 948 HB2 GLU 119 2HB GLU 119 -1.359 -4.461 10.248 949 HB3 GLU 119 3HB GLU 119 -0.619 -3.763 11.686 950 HG2 GLU 119 2HG GLU 119 1.615 -3.885 10.561 951 HG3 GLU 119 3HG GLU 119 0.817 -4.498 9.115 952 H ALA 120 H ALA 120 1.445 -6.582 9.556 953 HA ALA 120 HA ALA 120 -0.226 -8.115 7.853 954 HB1 ALA 120 3HB ALA 120 1.851 -8.801 6.732 955 HB2 ALA 120 1HB ALA 120 2.805 -8.185 8.090 956 HB3 ALA 120 2HB ALA 120 1.879 -7.073 7.083 957 H ALA 121 H ALA 121 1.690 -8.980 10.736 958 HA ALA 121 HA ALA 121 1.658 -11.796 10.391 959 HB1 ALA 121 3HB ALA 121 1.766 -10.245 12.990 960 HB2 ALA 121 1HB ALA 121 3.155 -10.687 11.997 961 HB3 ALA 121 2HB ALA 121 2.189 -11.945 12.770 962 H ASP 122 H ASP 122 -0.597 -9.584 12.051 963 HA ASP 122 HA ASP 122 -2.484 -11.536 12.882 964 HB2 ASP 122 2HB ASP 122 -3.091 -8.641 12.118 965 HB3 ASP 122 3HB ASP 122 -4.060 -9.676 13.165 966 H GLY 123 H GLY 123 -2.109 -9.659 9.904 967 HA2 GLY 123 2HA GLY 123 -4.488 -10.460 8.574 968 HA3 GLY 123 3HA GLY 123 -3.050 -9.797 7.812 969 H TYR 124 H TYR 124 -1.321 -11.952 8.861 970 HA TYR 124 HA TYR 124 -1.449 -13.836 6.787 971 HB2 TYR 124 2HB TYR 124 0.620 -13.469 7.945 972 HB3 TYR 124 3HB TYR 124 -0.075 -13.939 9.491 973 HD1 TYR 124 HD1 TYR 124 0.055 -15.541 6.069 974 HD2 TYR 124 HD2 TYR 124 0.899 -15.953 10.240 975 HE1 TYR 124 HE1 TYR 124 0.869 -17.823 5.680 976 HE2 TYR 124 HE2 TYR 124 1.705 -18.243 9.848 977 HH TYR 124 HH TYR 124 2.321 -19.463 6.714 978 H GLN 125 H GLN 125 -2.477 -14.149 10.211 979 HA GLN 125 HA GLN 125 -3.348 -16.765 10.250 980 HB2 GLN 125 2HB GLN 125 -4.229 -14.296 11.737 981 HB3 GLN 125 3HB GLN 125 -5.192 -15.755 11.926 982 HG2 GLN 125 2HG GLN 125 -3.502 -15.443 13.712 983 HG3 GLN 125 3HG GLN 125 -3.322 -16.962 12.840 984 HE21 GLN 125 1HE2 GLN 125 -1.936 -13.798 13.348 985 HE22 GLN 125 2HE2 GLN 125 -0.381 -14.162 12.708 986 H ARG 126 H ARG 126 -5.090 -13.944 9.035 987 HA ARG 126 HA ARG 126 -7.497 -15.230 8.276 988 HB2 ARG 126 2HB ARG 126 -7.482 -12.831 8.436 989 HB3 ARG 126 3HB ARG 126 -6.093 -12.686 7.366 990 HG2 ARG 126 2HG ARG 126 -8.123 -11.939 6.244 991 HG3 ARG 126 3HG ARG 126 -7.467 -13.368 5.448 992 HD2 ARG 126 2HD ARG 126 -9.153 -14.755 6.687 993 HD3 ARG 126 3HD ARG 126 -9.858 -13.262 7.319 994 HE ARG 126 HE ARG 126 -10.055 -12.702 4.794 995 HH11 ARG 126 1HH1 ARG 126 -10.575 -15.872 6.207 996 HH12 ARG 126 2HH1 ARG 126 -11.697 -16.374 4.983 997 HH21 ARG 126 1HH2 ARG 126 -11.533 -13.364 3.184 998 HH22 ARG 126 2HH2 ARG 126 -12.242 -14.948 3.266 999 H CYS 127 H CYS 127 -4.404 -14.703 6.539 1000 HA CYS 127 HA CYS 127 -5.376 -15.388 3.940 1001 HB2 CYS 127 2HB CYS 127 -2.514 -15.346 4.988 1002 HB3 CYS 127 3HB CYS 127 -2.985 -15.360 3.289 1003 HG CYS 127 HG CYS 127 -4.373 -12.840 4.971 1004 H MET 128 H MET 128 -3.251 -17.163 6.219 1005 HA MET 128 HA MET 128 -3.034 -19.530 4.751 1006 HB2 MET 128 2HB MET 128 -2.298 -20.597 6.900 1007 HB3 MET 128 3HB MET 128 -1.456 -19.103 6.523 1008 HG2 MET 128 2HG MET 128 -2.594 -17.906 8.221 1009 HG3 MET 128 3HG MET 128 -3.805 -19.171 8.423 1010 HE1 MET 128 3HE MET 128 -2.161 -21.842 8.518 1011 HE2 MET 128 1HE MET 128 -3.414 -21.432 9.694 1012 HE3 MET 128 2HE MET 128 -1.831 -21.985 10.245 1013 H MET 129 H MET 129 -5.457 -18.601 7.235 1014 HA MET 129 HA MET 129 -6.539 -21.258 7.430 1015 HB2 MET 129 2HB MET 129 -8.034 -20.461 9.054 1016 HB3 MET 129 3HB MET 129 -6.609 -19.462 9.280 1017 HG2 MET 129 2HG MET 129 -7.680 -17.581 8.212 1018 HG3 MET 129 3HG MET 129 -9.057 -18.573 7.735 1019 HE1 MET 129 3HE MET 129 -10.754 -19.328 11.185 1020 HE2 MET 129 1HE MET 129 -9.534 -20.321 10.389 1021 HE3 MET 129 2HE MET 129 -10.820 -19.576 9.439 1022 H ALA 130 H ALA 130 -7.260 -18.461 5.448 1023 HA ALA 130 HA ALA 130 -9.982 -18.859 4.913 1024 HB1 ALA 130 3HB ALA 130 -8.792 -16.766 4.418 1025 HB2 ALA 130 1HB ALA 130 -9.663 -17.358 3.001 1026 HB3 ALA 130 2HB ALA 130 -7.913 -17.567 3.113 1027 H GLN 131 H GLN 131 -7.143 -19.992 3.107 1028 HA GLN 131 HA GLN 131 -8.642 -21.556 1.212 1029 HB2 GLN 131 2HB GLN 131 -6.351 -22.582 0.693 1030 HB3 GLN 131 3HB GLN 131 -6.503 -20.850 0.445 1031 HG2 GLN 131 2HG GLN 131 -5.312 -20.387 2.495 1032 HG3 GLN 131 3HG GLN 131 -5.273 -22.100 2.912 1033 HE21 GLN 131 1HE2 GLN 131 -3.027 -20.354 2.652 1034 HE22 GLN 131 2HE2 GLN 131 -2.024 -21.028 1.419 1035 H TYR 132 H TYR 132 -7.329 -22.160 4.416 1036 HA TYR 132 HA TYR 132 -7.708 -25.077 4.191 1037 HB2 TYR 132 2HB TYR 132 -6.531 -23.419 6.475 1038 HB3 TYR 132 3HB TYR 132 -6.554 -25.177 6.395 1039 HD1 TYR 132 HD1 TYR 132 -5.799 -24.827 3.171 1040 HD2 TYR 132 HD2 TYR 132 -4.070 -23.663 6.907 1041 HE1 TYR 132 HE1 TYR 132 -3.582 -24.760 2.124 1042 HE2 TYR 132 HE2 TYR 132 -1.848 -23.627 5.860 1043 HH TYR 132 HH TYR 132 -0.720 -24.684 3.894 1044 H ASN 133 H ASN 133 -10.074 -23.436 4.144 1045 HA ASN 133 HA ASN 133 -11.417 -23.692 6.703 1046 HB2 ASN 133 2HB ASN 133 -12.235 -22.728 3.958 1047 HB3 ASN 133 3HB ASN 133 -13.504 -23.228 5.065 1048 HD21 ASN 133 1HD2 ASN 133 -10.585 -21.679 6.269 1049 HD22 ASN 133 2HD2 ASN 133 -11.340 -20.184 6.675 Start of MODEL 9 1 H1 MET 1 1H MET 1 22.154 5.923 -10.964 2 H2 MET 1 2H MET 1 20.536 5.865 -10.469 3 H3 MET 1 3H MET 1 21.635 4.712 -9.907 4 HA MET 1 HA MET 1 22.857 6.353 -8.709 5 HB2 MET 1 2HB MET 1 20.748 8.279 -9.785 6 HB3 MET 1 3HB MET 1 21.890 8.688 -8.509 7 HG2 MET 1 2HG MET 1 22.663 9.618 -10.589 8 HG3 MET 1 3HG MET 1 23.756 8.312 -10.124 9 HE1 MET 1 3HE MET 1 23.570 9.625 -13.113 10 HE2 MET 1 1HE MET 1 23.762 8.145 -14.056 11 HE3 MET 1 2HE MET 1 24.732 8.396 -12.608 12 H GLY 2 H GLY 2 22.420 5.619 -6.712 13 HA2 GLY 2 2HA GLY 2 19.916 4.517 -5.970 14 HA3 GLY 2 3HA GLY 2 21.314 4.726 -4.924 15 H HIS 3 H HIS 3 21.669 6.894 -3.987 16 HA HIS 3 HA HIS 3 21.084 8.673 -2.735 17 HB2 HIS 3 2HB HIS 3 19.035 8.979 -4.955 18 HB3 HIS 3 3HB HIS 3 19.106 10.129 -3.624 19 HD1 HIS 3 HD1 HIS 3 20.199 12.178 -4.502 20 HD2 HIS 3 HD2 HIS 3 22.067 8.735 -5.901 21 HE1 HIS 3 HE1 HIS 3 22.187 12.966 -5.824 22 HE2 HIS 3 HE2 HIS 3 23.276 10.866 -6.693 23 H HIS 4 H HIS 4 19.890 5.995 -2.264 24 HA HIS 4 HA HIS 4 17.379 6.521 -0.854 25 HB2 HIS 4 2HB HIS 4 17.755 4.417 -2.209 26 HB3 HIS 4 3HB HIS 4 19.004 3.938 -1.068 27 HD1 HIS 4 HD1 HIS 4 18.215 2.495 0.805 28 HD2 HIS 4 HD2 HIS 4 15.096 4.636 -0.904 29 HE1 HIS 4 HE1 HIS 4 16.128 1.665 1.924 30 HE2 HIS 4 HE2 HIS 4 14.265 2.799 0.698 31 H HIS 5 H HIS 5 20.776 6.353 -0.229 32 HA HIS 5 HA HIS 5 20.464 6.108 2.693 33 HB2 HIS 5 2HB HIS 5 22.989 6.251 0.982 34 HB3 HIS 5 3HB HIS 5 22.946 5.958 2.718 35 HD1 HIS 5 HD1 HIS 5 22.640 4.262 -0.549 36 HD2 HIS 5 HD2 HIS 5 21.961 3.355 3.440 37 HE1 HIS 5 HE1 HIS 5 22.399 1.768 -0.456 38 HE2 HIS 5 HE2 HIS 5 21.822 1.272 1.939 39 H HIS 6 H HIS 6 20.027 7.992 3.722 40 HA HIS 6 HA HIS 6 21.541 10.442 2.985 41 HB2 HIS 6 2HB HIS 6 18.627 10.241 3.875 42 HB3 HIS 6 3HB HIS 6 19.527 11.757 3.841 43 HD1 HIS 6 HD1 HIS 6 20.501 12.416 1.382 44 HD2 HIS 6 HD2 HIS 6 17.381 9.671 1.485 45 HE1 HIS 6 HE1 HIS 6 19.545 12.394 -0.934 46 HE2 HIS 6 HE2 HIS 6 17.754 10.625 -0.883 47 H HIS 7 H HIS 7 22.965 10.870 4.532 48 HA HIS 7 HA HIS 7 22.142 10.729 7.385 49 HB2 HIS 7 2HB HIS 7 24.822 10.008 6.137 50 HB3 HIS 7 3HB HIS 7 24.689 10.444 7.837 51 HD1 HIS 7 HD1 HIS 7 23.963 8.656 9.432 52 HD2 HIS 7 HD2 HIS 7 23.349 7.569 5.472 53 HE1 HIS 7 HE1 HIS 7 23.267 6.251 9.498 54 HE2 HIS 7 HE2 HIS 7 22.716 5.685 7.113 55 H HIS 8 H HIS 8 22.598 12.799 4.949 56 HA HIS 8 HA HIS 8 23.394 15.015 6.739 57 HB2 HIS 8 2HB HIS 8 24.303 14.629 3.836 58 HB3 HIS 8 3HB HIS 8 24.536 16.110 4.760 59 HD1 HIS 8 HD1 HIS 8 26.214 15.974 6.805 60 HD2 HIS 8 HD2 HIS 8 26.201 12.665 4.294 61 HE1 HIS 8 HE1 HIS 8 28.291 14.688 7.371 62 HE2 HIS 8 HE2 HIS 8 28.347 12.791 5.714 63 H SER 9 H SER 9 21.759 16.415 6.880 64 HA SER 9 HA SER 9 20.293 17.423 4.651 65 HB2 SER 9 2HB SER 9 19.133 15.186 5.013 66 HB3 SER 9 3HB SER 9 18.656 15.752 6.614 67 HG SER 9 HG SER 9 17.612 16.344 4.163 68 H HIS 10 H HIS 10 18.355 18.765 5.533 69 HA HIS 10 HA HIS 10 19.182 20.315 7.924 70 HB2 HIS 10 2HB HIS 10 18.055 22.274 6.779 71 HB3 HIS 10 3HB HIS 10 19.493 21.685 5.954 72 HD1 HIS 10 HD1 HIS 10 18.977 20.046 3.846 73 HD2 HIS 10 HD2 HIS 10 15.845 22.440 5.135 74 HE1 HIS 10 HE1 HIS 10 17.349 20.094 1.949 75 HE2 HIS 10 HE2 HIS 10 15.372 21.373 2.839 76 H MET 11 H MET 11 16.980 21.815 8.441 77 HA MET 11 HA MET 11 15.545 20.176 10.145 78 HB2 MET 11 2HB MET 11 14.031 22.030 10.573 79 HB3 MET 11 3HB MET 11 15.667 22.638 10.390 80 HG2 MET 11 2HG MET 11 15.135 23.400 8.108 81 HG3 MET 11 3HG MET 11 13.488 22.787 8.281 82 HE1 MET 11 3HE MET 11 13.977 25.733 7.352 83 HE2 MET 11 1HE MET 11 12.867 26.638 8.385 84 HE3 MET 11 2HE MET 11 12.362 25.101 7.685 85 H ASN 12 H ASN 12 14.538 21.253 6.934 86 HA ASN 12 HA ASN 12 12.275 19.351 6.917 87 HB2 ASN 12 2HB ASN 12 12.931 21.672 5.048 88 HB3 ASN 12 3HB ASN 12 11.547 20.598 4.864 89 HD21 ASN 12 1HD2 ASN 12 11.510 23.441 5.164 90 HD22 ASN 12 2HD2 ASN 12 10.633 23.800 6.603 91 HA PRO 13 HA PRO 13 15.642 16.948 4.981 92 HB2 PRO 13 2HB PRO 13 13.575 14.771 4.865 93 HB3 PRO 13 3HB PRO 13 15.195 14.751 5.594 94 HG2 PRO 13 2HG PRO 13 13.029 14.846 7.138 95 HG3 PRO 13 3HG PRO 13 14.486 15.778 7.554 96 HD2 PRO 13 2HD PRO 13 11.931 16.755 6.275 97 HD3 PRO 13 3HD PRO 13 12.902 17.503 7.568 98 H ASP 14 H ASP 14 12.350 17.036 3.713 99 HA ASP 14 HA ASP 14 13.203 17.419 0.990 100 HB2 ASP 14 2HB ASP 14 13.473 15.007 1.022 101 HB3 ASP 14 3HB ASP 14 11.930 14.783 1.838 102 H LEU 15 H LEU 15 11.767 18.758 0.079 103 HA LEU 15 HA LEU 15 9.474 19.715 1.412 104 HB2 LEU 15 2HB LEU 15 10.206 20.059 -1.528 105 HB3 LEU 15 3HB LEU 15 8.988 20.984 -0.669 106 HG LEU 15 HG LEU 15 11.011 21.693 0.892 107 HD11 LEU 15 1HD1 LEU 15 12.715 20.220 0.020 108 HD12 LEU 15 2HD1 LEU 15 13.168 21.893 -0.282 109 HD13 LEU 15 3HD1 LEU 15 12.534 20.902 -1.598 110 HD21 LEU 15 3HD2 LEU 15 9.730 23.263 -0.503 111 HD22 LEU 15 1HD2 LEU 15 10.738 22.859 -1.896 112 HD23 LEU 15 2HD2 LEU 15 11.445 23.663 -0.492 113 H ALA 16 H ALA 16 9.926 17.268 -1.055 114 HA ALA 16 HA ALA 16 7.248 16.937 -1.902 115 HB1 ALA 16 3HB ALA 16 8.046 14.832 -2.899 116 HB2 ALA 16 1HB ALA 16 9.554 14.969 -1.993 117 HB3 ALA 16 2HB ALA 16 9.156 16.164 -3.228 118 H LEU 17 H LEU 17 8.901 15.873 1.020 119 HA LEU 17 HA LEU 17 6.949 13.781 1.575 120 HB2 LEU 17 2HB LEU 17 8.237 13.118 3.380 121 HB3 LEU 17 3HB LEU 17 9.439 13.776 2.297 122 HG LEU 17 HG LEU 17 9.088 15.982 3.807 123 HD11 LEU 17 1HD1 LEU 17 8.365 13.780 5.752 124 HD12 LEU 17 2HD1 LEU 17 7.300 15.073 5.199 125 HD13 LEU 17 3HD1 LEU 17 8.720 15.461 6.169 126 HD21 LEU 17 3HD2 LEU 17 10.994 15.310 5.189 127 HD22 LEU 17 1HD2 LEU 17 11.225 14.845 3.505 128 HD23 LEU 17 2HD2 LEU 17 10.770 13.627 4.698 129 H MET 18 H MET 18 7.087 17.167 1.929 130 HA MET 18 HA MET 18 5.549 17.387 4.371 131 HB2 MET 18 2HB MET 18 6.155 19.492 2.248 132 HB3 MET 18 3HB MET 18 5.541 19.805 3.873 133 HG2 MET 18 2HG MET 18 8.251 18.634 3.171 134 HG3 MET 18 3HG MET 18 7.931 20.261 3.785 135 HE1 MET 18 3HE MET 18 9.927 17.839 4.976 136 HE2 MET 18 1HE MET 18 9.735 18.144 6.706 137 HE3 MET 18 2HE MET 18 9.951 19.491 5.595 138 H VAL 19 H VAL 19 4.861 17.409 0.913 139 HA VAL 19 HA VAL 19 2.102 18.208 1.165 140 HB VAL 19 HB VAL 19 3.384 18.764 -0.869 141 HG11 VAL 19 1HG1 VAL 19 3.940 17.036 -2.559 142 HG12 VAL 19 2HG1 VAL 19 3.426 15.775 -1.437 143 HG13 VAL 19 3HG1 VAL 19 4.821 16.786 -1.050 144 HG21 VAL 19 3HG2 VAL 19 1.680 18.147 -2.549 145 HG22 VAL 19 1HG2 VAL 19 0.927 18.629 -1.029 146 HG23 VAL 19 2HG2 VAL 19 1.036 16.921 -1.458 147 H LYS 20 H LYS 20 3.846 15.121 0.989 148 HA LYS 20 HA LYS 20 1.524 13.514 0.462 149 HB2 LYS 20 2HB LYS 20 2.898 11.605 0.680 150 HB3 LYS 20 3HB LYS 20 3.956 12.833 0.004 151 HG2 LYS 20 2HG LYS 20 4.967 13.189 2.234 152 HG3 LYS 20 3HG LYS 20 3.893 11.970 2.922 153 HD2 LYS 20 2HD LYS 20 6.134 11.031 2.510 154 HD3 LYS 20 3HD LYS 20 4.928 10.236 1.493 155 HE2 LYS 20 2HE LYS 20 5.633 11.638 -0.427 156 HE3 LYS 20 3HE LYS 20 6.821 12.437 0.598 157 HZ1 LYS 20 3HZ LYS 20 7.803 10.738 -0.773 158 HZ2 LYS 20 1HZ LYS 20 6.804 9.561 -0.089 159 HZ3 LYS 20 2HZ LYS 20 7.959 10.348 0.862 160 H ASN 21 H ASN 21 2.948 14.900 3.323 161 HA ASN 21 HA ASN 21 1.846 13.214 5.315 162 HB2 ASN 21 2HB ASN 21 2.726 16.124 5.411 163 HB3 ASN 21 3HB ASN 21 2.189 15.243 6.842 164 HD21 ASN 21 1HD2 ASN 21 4.763 16.428 6.326 165 HD22 ASN 21 2HD2 ASN 21 5.919 15.154 6.445 166 H LYS 22 H LYS 22 0.748 16.392 4.094 167 HA LYS 22 HA LYS 22 -1.754 16.319 5.467 168 HB2 LYS 22 2HB LYS 22 -2.317 18.296 4.059 169 HB3 LYS 22 3HB LYS 22 -0.764 18.442 4.878 170 HG2 LYS 22 2HG LYS 22 0.266 17.605 2.639 171 HG3 LYS 22 3HG LYS 22 -1.309 17.984 1.936 172 HD2 LYS 22 2HD LYS 22 0.588 19.903 3.328 173 HD3 LYS 22 3HD LYS 22 0.217 19.845 1.608 174 HE2 LYS 22 2HE LYS 22 -1.742 20.586 3.823 175 HE3 LYS 22 3HE LYS 22 -0.967 21.708 2.708 176 HZ1 LYS 22 3HZ LYS 22 -2.757 19.511 1.838 177 HZ2 LYS 22 1HZ LYS 22 -2.150 20.774 0.892 178 HZ3 LYS 22 2HZ LYS 22 -3.275 21.094 2.114 179 H GLY 23 H GLY 23 -0.669 15.246 2.295 180 HA2 GLY 23 2HA GLY 23 -3.062 14.559 1.054 181 HA3 GLY 23 3HA GLY 23 -1.539 13.710 0.846 182 H ASN 24 H ASN 24 -1.059 12.489 3.188 183 HA ASN 24 HA ASN 24 -2.998 10.388 3.225 184 HB2 ASN 24 2HB ASN 24 -1.473 9.060 4.437 185 HB3 ASN 24 3HB ASN 24 -0.451 10.020 3.384 186 HD21 ASN 24 1HD2 ASN 24 1.097 11.314 4.316 187 HD22 ASN 24 2HD2 ASN 24 1.351 11.454 6.012 188 H GLU 25 H GLU 25 -2.412 13.193 5.221 189 HA GLU 25 HA GLU 25 -3.814 12.211 7.516 190 HB2 GLU 25 2HB GLU 25 -3.453 14.243 8.537 191 HB3 GLU 25 3HB GLU 25 -2.238 14.390 7.278 192 HG2 GLU 25 2HG GLU 25 -3.704 15.840 5.972 193 HG3 GLU 25 3HG GLU 25 -5.026 15.585 7.101 194 H CYS 26 H CYS 26 -4.708 14.009 4.571 195 HA CYS 26 HA CYS 26 -7.414 14.527 5.234 196 HB2 CYS 26 2HB CYS 26 -6.031 14.296 2.543 197 HB3 CYS 26 3HB CYS 26 -7.690 14.859 2.756 198 HG CYS 26 HG CYS 26 -5.339 16.426 4.591 199 H PHE 27 H PHE 27 -5.887 11.824 3.468 200 HA PHE 27 HA PHE 27 -8.173 10.296 2.920 201 HB2 PHE 27 2HB PHE 27 -5.949 9.810 1.957 202 HB3 PHE 27 3HB PHE 27 -5.335 9.360 3.545 203 HD1 PHE 27 HD2 PHE 27 -8.143 8.434 1.195 204 HD2 PHE 27 HD1 PHE 27 -5.264 7.075 4.038 205 HE1 PHE 27 HE2 PHE 27 -8.845 6.112 0.805 206 HE2 PHE 27 HE1 PHE 27 -5.974 4.750 3.647 207 HZ PHE 27 HZ PHE 27 -7.769 4.268 2.028 208 H GLN 28 H GLN 28 -6.078 10.395 5.762 209 HA GLN 28 HA GLN 28 -7.356 8.478 7.397 210 HB2 GLN 28 2HB GLN 28 -5.046 9.248 7.776 211 HB3 GLN 28 3HB GLN 28 -5.609 10.883 8.078 212 HG2 GLN 28 2HG GLN 28 -5.015 9.853 10.174 213 HG3 GLN 28 3HG GLN 28 -6.762 10.098 10.134 214 HE21 GLN 28 1HE2 GLN 28 -4.992 7.443 8.517 215 HE22 GLN 28 2HE2 GLN 28 -5.655 6.186 9.494 216 H LYS 29 H LYS 29 -8.270 11.785 6.560 217 HA LYS 29 HA LYS 29 -9.961 12.211 8.894 218 HB2 LYS 29 2HB LYS 29 -10.047 13.724 6.251 219 HB3 LYS 29 3HB LYS 29 -10.763 14.239 7.774 220 HG2 LYS 29 2HG LYS 29 -7.829 14.052 7.093 221 HG3 LYS 29 3HG LYS 29 -8.764 15.513 7.341 222 HD2 LYS 29 2HD LYS 29 -8.582 13.558 9.631 223 HD3 LYS 29 3HD LYS 29 -7.147 14.494 9.229 224 HE2 LYS 29 2HE LYS 29 -8.447 15.556 10.999 225 HE3 LYS 29 3HE LYS 29 -8.371 16.576 9.562 226 HZ1 LYS 29 3HZ LYS 29 -10.623 15.819 8.988 227 HZ2 LYS 29 1HZ LYS 29 -10.584 16.586 10.495 228 HZ3 LYS 29 2HZ LYS 29 -10.677 14.905 10.407 229 H GLY 30 H GLY 30 -10.195 10.357 6.079 230 HA2 GLY 30 2HA GLY 30 -11.980 8.829 5.741 231 HA3 GLY 30 3HA GLY 30 -13.121 9.991 6.409 232 H ASP 31 H ASP 31 -10.735 11.230 4.225 233 HA ASP 31 HA ASP 31 -12.738 11.505 2.078 234 HB2 ASP 31 2HB ASP 31 -11.303 13.495 2.891 235 HB3 ASP 31 3HB ASP 31 -9.938 12.719 2.099 236 H TYR 32 H TYR 32 -12.269 10.808 -0.054 237 HA TYR 32 HA TYR 32 -10.225 8.697 -0.305 238 HB2 TYR 32 2HB TYR 32 -13.153 8.445 -1.057 239 HB3 TYR 32 3HB TYR 32 -11.915 7.307 -1.591 240 HD1 TYR 32 HD1 TYR 32 -13.798 8.552 1.341 241 HD2 TYR 32 HD2 TYR 32 -10.864 5.762 0.004 242 HE1 TYR 32 HE1 TYR 32 -13.876 7.428 3.487 243 HE2 TYR 32 HE2 TYR 32 -10.978 4.618 2.173 244 HH TYR 32 HH TYR 32 -13.405 5.130 4.426 245 HA PRO 33 HA PRO 33 -11.040 10.299 -4.831 246 HB2 PRO 33 2HB PRO 33 -12.540 12.578 -5.231 247 HB3 PRO 33 3HB PRO 33 -13.244 10.948 -5.227 248 HG2 PRO 33 2HG PRO 33 -13.207 12.989 -3.027 249 HG3 PRO 33 3HG PRO 33 -14.540 11.940 -3.564 250 HD2 PRO 33 2HD PRO 33 -13.031 11.364 -1.371 251 HD3 PRO 33 3HD PRO 33 -13.738 10.095 -2.394 252 H GLN 34 H GLN 34 -11.308 13.244 -2.738 253 HA GLN 34 HA GLN 34 -9.377 14.748 -4.175 254 HB2 GLN 34 2HB GLN 34 -10.293 15.138 -1.296 255 HB3 GLN 34 3HB GLN 34 -9.443 16.333 -2.268 256 HG2 GLN 34 2HG GLN 34 -12.252 15.290 -2.741 257 HG3 GLN 34 3HG GLN 34 -11.820 16.858 -2.062 258 HE21 GLN 34 1HE2 GLN 34 -12.209 15.013 -4.943 259 HE22 GLN 34 2HE2 GLN 34 -11.916 16.302 -6.054 260 H ALA 35 H ALA 35 -9.174 12.582 -1.397 261 HA ALA 35 HA ALA 35 -6.564 13.081 -0.485 262 HB1 ALA 35 3HB ALA 35 -8.087 10.445 -0.487 263 HB2 ALA 35 1HB ALA 35 -8.193 11.696 0.756 264 HB3 ALA 35 2HB ALA 35 -6.680 10.820 0.514 265 H MET 36 H MET 36 -7.795 11.101 -3.149 266 HA MET 36 HA MET 36 -5.334 9.736 -3.767 267 HB2 MET 36 2HB MET 36 -7.482 8.751 -4.363 268 HB3 MET 36 3HB MET 36 -7.946 10.183 -5.261 269 HG2 MET 36 2HG MET 36 -6.111 9.645 -6.911 270 HG3 MET 36 3HG MET 36 -5.882 8.121 -6.049 271 HE1 MET 36 3HE MET 36 -9.928 9.199 -8.027 272 HE2 MET 36 1HE MET 36 -8.585 10.339 -7.942 273 HE3 MET 36 2HE MET 36 -9.421 9.845 -6.467 274 H LYS 37 H LYS 37 -6.907 12.725 -4.737 275 HA LYS 37 HA LYS 37 -5.176 13.423 -6.926 276 HB2 LYS 37 2HB LYS 37 -6.983 15.202 -5.231 277 HB3 LYS 37 3HB LYS 37 -6.280 15.628 -6.795 278 HG2 LYS 37 2HG LYS 37 -7.616 13.920 -7.905 279 HG3 LYS 37 3HG LYS 37 -8.234 13.354 -6.345 280 HD2 LYS 37 2HD LYS 37 -9.305 15.583 -5.998 281 HD3 LYS 37 3HD LYS 37 -8.728 16.087 -7.590 282 HE2 LYS 37 2HE LYS 37 -10.602 13.745 -7.107 283 HE3 LYS 37 3HE LYS 37 -11.129 15.365 -7.563 284 HZ1 LYS 37 3HZ LYS 37 -9.301 13.694 -9.189 285 HZ2 LYS 37 1HZ LYS 37 -9.990 15.171 -9.635 286 HZ3 LYS 37 2HZ LYS 37 -10.963 13.804 -9.435 287 H HIS 38 H HIS 38 -5.265 14.086 -3.459 288 HA HIS 38 HA HIS 38 -3.070 15.923 -3.386 289 HB2 HIS 38 2HB HIS 38 -4.438 14.290 -1.219 290 HB3 HIS 38 3HB HIS 38 -3.033 15.292 -0.869 291 HD1 HIS 38 HD1 HIS 38 -3.414 17.925 -1.743 292 HD2 HIS 38 HD2 HIS 38 -6.765 15.663 -0.841 293 HE1 HIS 38 HE1 HIS 38 -5.245 19.581 -1.314 294 HE2 HIS 38 HE2 HIS 38 -7.195 18.182 -0.553 295 H TYR 39 H TYR 39 -3.325 12.433 -3.430 296 HA TYR 39 HA TYR 39 -0.523 11.948 -2.966 297 HB2 TYR 39 2HB TYR 39 -2.729 10.206 -4.117 298 HB3 TYR 39 3HB TYR 39 -1.071 9.643 -3.909 299 HD1 TYR 39 HD2 TYR 39 -0.318 10.740 -1.271 300 HD2 TYR 39 HD1 TYR 39 -4.022 9.002 -2.527 301 HE1 TYR 39 HE2 TYR 39 -0.791 10.064 1.041 302 HE2 TYR 39 HE1 TYR 39 -4.484 8.342 -0.213 303 HH TYR 39 HH TYR 39 -3.312 7.847 1.806 304 H THR 40 H THR 40 -2.560 12.550 -5.820 305 HA THR 40 HA THR 40 -0.717 11.754 -7.824 306 HB THR 40 HB THR 40 -2.839 13.934 -8.058 307 HG1 THR 40 HG1 THR 40 -3.293 11.530 -7.369 308 HG21 THR 40 3HG2 THR 40 -2.902 13.357 -10.453 309 HG22 THR 40 1HG2 THR 40 -1.622 12.159 -10.210 310 HG23 THR 40 2HG2 THR 40 -1.280 13.875 -9.994 311 H GLU 41 H GLU 41 -1.376 14.962 -6.356 312 HA GLU 41 HA GLU 41 0.655 16.388 -7.729 313 HB2 GLU 41 2HB GLU 41 0.257 18.196 -6.141 314 HB3 GLU 41 3HB GLU 41 -1.276 17.519 -6.675 315 HG2 GLU 41 2HG GLU 41 -1.577 16.366 -4.573 316 HG3 GLU 41 3HG GLU 41 0.048 16.799 -4.045 317 H ALA 42 H ALA 42 0.655 14.460 -4.783 318 HA ALA 42 HA ALA 42 3.212 15.261 -3.816 319 HB1 ALA 42 3HB ALA 42 1.568 14.231 -2.328 320 HB2 ALA 42 1HB ALA 42 3.049 13.270 -2.355 321 HB3 ALA 42 2HB ALA 42 1.629 12.734 -3.257 322 H ILE 43 H ILE 43 2.113 12.747 -6.072 323 HA ILE 43 HA ILE 43 4.666 11.504 -6.495 324 HB ILE 43 HB ILE 43 2.156 11.545 -8.244 325 HG12 ILE 43 2HG1 ILE 43 3.228 9.292 -6.482 326 HG13 ILE 43 3HG1 ILE 43 1.978 10.418 -5.975 327 HG21 ILE 43 1HG2 ILE 43 3.112 9.615 -9.478 328 HG22 ILE 43 2HG2 ILE 43 4.623 9.795 -8.583 329 HG23 ILE 43 3HG2 ILE 43 4.089 11.070 -9.680 330 HD11 ILE 43 3HD1 ILE 43 1.036 8.296 -6.668 331 HD12 ILE 43 1HD1 ILE 43 1.759 8.464 -8.267 332 HD13 ILE 43 2HD1 ILE 43 0.504 9.589 -7.741 333 H LYS 44 H LYS 44 2.990 14.296 -7.906 334 HA LYS 44 HA LYS 44 4.845 14.820 -10.016 335 HB2 LYS 44 2HB LYS 44 3.066 16.827 -8.562 336 HB3 LYS 44 3HB LYS 44 3.839 17.076 -10.126 337 HG2 LYS 44 2HG LYS 44 1.616 15.115 -9.474 338 HG3 LYS 44 3HG LYS 44 1.484 16.580 -10.447 339 HD2 LYS 44 2HD LYS 44 2.911 15.588 -12.186 340 HD3 LYS 44 3HD LYS 44 3.181 14.157 -11.189 341 HE2 LYS 44 2HE LYS 44 0.784 13.595 -11.334 342 HE3 LYS 44 3HE LYS 44 0.498 15.035 -12.313 343 HZ1 LYS 44 3HZ LYS 44 1.981 14.115 -13.997 344 HZ2 LYS 44 1HZ LYS 44 0.674 13.083 -13.691 345 HZ3 LYS 44 2HZ LYS 44 2.203 12.726 -13.064 346 H ARG 45 H ARG 45 4.999 15.276 -6.598 347 HA ARG 45 HA ARG 45 7.349 17.018 -6.693 348 HB2 ARG 45 2HB ARG 45 5.922 15.687 -4.353 349 HB3 ARG 45 3HB ARG 45 7.269 16.810 -4.207 350 HG2 ARG 45 2HG ARG 45 4.558 17.492 -5.377 351 HG3 ARG 45 3HG ARG 45 5.075 17.846 -3.728 352 HD2 ARG 45 2HD ARG 45 6.872 19.296 -4.608 353 HD3 ARG 45 3HD ARG 45 6.343 18.944 -6.259 354 HE ARG 45 HE ARG 45 4.216 19.961 -4.630 355 HH11 ARG 45 1HH1 ARG 45 6.977 21.010 -6.540 356 HH12 ARG 45 2HH1 ARG 45 6.324 22.588 -6.827 357 HH21 ARG 45 1HH2 ARG 45 3.370 22.022 -5.027 358 HH22 ARG 45 2HH2 ARG 45 4.274 23.164 -5.971 359 H ASN 46 H ASN 46 6.504 13.623 -5.942 360 HA ASN 46 HA ASN 46 9.318 12.846 -6.231 361 HB2 ASN 46 2HB ASN 46 9.035 11.202 -4.271 362 HB3 ASN 46 3HB ASN 46 9.287 12.891 -3.892 363 HD21 ASN 46 1HD2 ASN 46 6.192 11.202 -4.682 364 HD22 ASN 46 2HD2 ASN 46 5.464 11.565 -3.177 365 HA PRO 47 HA PRO 47 6.701 10.012 -8.784 366 HB2 PRO 47 2HB PRO 47 8.207 10.073 -11.052 367 HB3 PRO 47 3HB PRO 47 7.115 11.412 -10.634 368 HG2 PRO 47 2HG PRO 47 10.097 11.225 -10.224 369 HG3 PRO 47 3HG PRO 47 9.132 12.575 -10.867 370 HD2 PRO 47 2HD PRO 47 9.973 12.472 -8.252 371 HD3 PRO 47 3HD PRO 47 8.487 13.306 -8.758 372 H LYS 48 H LYS 48 9.751 9.817 -7.365 373 HA LYS 48 HA LYS 48 10.355 7.091 -8.342 374 HB2 LYS 48 2HB LYS 48 12.082 8.793 -6.496 375 HB3 LYS 48 3HB LYS 48 12.576 7.402 -7.456 376 HG2 LYS 48 2HG LYS 48 11.818 10.155 -8.503 377 HG3 LYS 48 3HG LYS 48 13.439 9.454 -8.443 378 HD2 LYS 48 2HD LYS 48 12.818 7.765 -10.107 379 HD3 LYS 48 3HD LYS 48 11.139 8.315 -10.093 380 HE2 LYS 48 2HE LYS 48 11.918 10.542 -10.951 381 HE3 LYS 48 3HE LYS 48 13.550 9.880 -11.073 382 HZ1 LYS 48 3HZ LYS 48 11.167 8.849 -12.514 383 HZ2 LYS 48 1HZ LYS 48 12.746 8.260 -12.652 384 HZ3 LYS 48 2HZ LYS 48 12.378 9.821 -13.186 385 H ASP 49 H ASP 49 8.488 8.434 -6.043 386 HA ASP 49 HA ASP 49 9.310 6.880 -3.707 387 HB2 ASP 49 2HB ASP 49 8.605 9.358 -3.659 388 HB3 ASP 49 3HB ASP 49 6.965 8.811 -3.962 389 H ALA 50 H ALA 50 8.680 4.787 -3.847 390 HA ALA 50 HA ALA 50 6.637 3.785 -5.500 391 HB1 ALA 50 3HB ALA 50 7.981 2.379 -3.180 392 HB2 ALA 50 1HB ALA 50 8.595 2.463 -4.832 393 HB3 ALA 50 2HB ALA 50 7.093 1.602 -4.495 394 H LYS 51 H LYS 51 6.724 4.099 -1.957 395 HA LYS 51 HA LYS 51 4.259 2.903 -1.426 396 HB2 LYS 51 2HB LYS 51 4.358 3.864 0.807 397 HB3 LYS 51 3HB LYS 51 5.929 3.232 0.348 398 HG2 LYS 51 2HG LYS 51 5.291 6.180 0.052 399 HG3 LYS 51 3HG LYS 51 5.790 5.516 1.607 400 HD2 LYS 51 2HD LYS 51 7.417 5.312 -0.959 401 HD3 LYS 51 3HD LYS 51 7.651 6.532 0.287 402 HE2 LYS 51 2HE LYS 51 7.928 3.546 0.733 403 HE3 LYS 51 3HE LYS 51 9.262 4.665 0.452 404 HZ1 LYS 51 3HZ LYS 51 8.675 5.849 2.463 405 HZ2 LYS 51 1HZ LYS 51 8.936 4.214 2.810 406 HZ3 LYS 51 2HZ LYS 51 7.361 4.820 2.729 407 H LEU 52 H LEU 52 4.934 6.086 -2.654 408 HA LEU 52 HA LEU 52 2.519 7.364 -1.897 409 HB2 LEU 52 2HB LEU 52 4.874 8.135 -3.232 410 HB3 LEU 52 3HB LEU 52 3.647 8.324 -4.462 411 HG LEU 52 HG LEU 52 4.044 10.426 -3.213 412 HD11 LEU 52 1HD1 LEU 52 1.823 10.078 -4.167 413 HD12 LEU 52 2HD1 LEU 52 1.722 10.973 -2.657 414 HD13 LEU 52 3HD1 LEU 52 1.290 9.263 -2.694 415 HD21 LEU 52 3HD2 LEU 52 4.699 9.420 -1.058 416 HD22 LEU 52 1HD2 LEU 52 3.028 8.911 -0.781 417 HD23 LEU 52 2HD2 LEU 52 3.432 10.625 -0.861 418 H TYR 53 H TYR 53 3.435 5.472 -4.765 419 HA TYR 53 HA TYR 53 0.923 5.600 -6.103 420 HB2 TYR 53 2HB TYR 53 3.060 3.426 -6.221 421 HB3 TYR 53 3HB TYR 53 1.728 3.600 -7.362 422 HD1 TYR 53 HD1 TYR 53 1.714 5.477 -8.995 423 HD2 TYR 53 HD2 TYR 53 5.025 4.895 -6.354 424 HE1 TYR 53 HE1 TYR 53 3.081 6.982 -10.366 425 HE2 TYR 53 HE2 TYR 53 6.390 6.397 -7.726 426 HH TYR 53 HH TYR 53 6.434 7.204 -10.053 427 H SER 54 H SER 54 2.261 3.544 -3.573 428 HA SER 54 HA SER 54 0.052 1.692 -3.571 429 HB2 SER 54 2HB SER 54 2.403 1.053 -2.934 430 HB3 SER 54 3HB SER 54 2.197 1.984 -1.446 431 HG SER 54 HG SER 54 0.325 0.626 -1.048 432 H ASN 55 H ASN 55 0.662 4.755 -2.098 433 HA ASN 55 HA ASN 55 -1.196 4.525 0.097 434 HB2 ASN 55 2HB ASN 55 0.389 6.793 -1.130 435 HB3 ASN 55 3HB ASN 55 -0.969 7.192 -0.085 436 HD21 ASN 55 1HD2 ASN 55 0.511 8.183 1.331 437 HD22 ASN 55 2HD2 ASN 55 1.479 7.253 2.415 438 H ARG 56 H ARG 56 -1.301 5.932 -3.196 439 HA ARG 56 HA ARG 56 -4.113 6.561 -3.053 440 HB2 ARG 56 2HB ARG 56 -3.995 7.068 -5.426 441 HB3 ARG 56 3HB ARG 56 -2.583 7.754 -4.626 442 HG2 ARG 56 2HG ARG 56 -1.169 5.950 -5.473 443 HG3 ARG 56 3HG ARG 56 -2.570 5.142 -6.181 444 HD2 ARG 56 2HD ARG 56 -2.905 7.153 -7.652 445 HD3 ARG 56 3HD ARG 56 -1.390 7.812 -7.019 446 HE ARG 56 HE ARG 56 -0.893 5.221 -7.973 447 HH11 ARG 56 1HH1 ARG 56 -1.791 8.343 -9.319 448 HH12 ARG 56 2HH1 ARG 56 -1.048 8.033 -10.851 449 HH21 ARG 56 1HH2 ARG 56 0.062 4.823 -9.995 450 HH22 ARG 56 2HH2 ARG 56 0.007 6.032 -11.243 451 H ALA 57 H ALA 57 -2.214 3.733 -3.885 452 HA ALA 57 HA ALA 57 -4.289 2.126 -4.979 453 HB1 ALA 57 3HB ALA 57 -1.807 1.234 -3.472 454 HB2 ALA 57 1HB ALA 57 -1.891 1.566 -5.203 455 HB3 ALA 57 2HB ALA 57 -2.813 0.230 -4.517 456 H ALA 58 H ALA 58 -3.211 2.808 -1.684 457 HA ALA 58 HA ALA 58 -4.923 1.006 -0.313 458 HB1 ALA 58 3HB ALA 58 -4.422 2.363 1.680 459 HB2 ALA 58 1HB ALA 58 -3.718 3.621 0.660 460 HB3 ALA 58 2HB ALA 58 -2.955 2.032 0.755 461 H CYS 59 H CYS 59 -5.424 4.185 -1.750 462 HA CYS 59 HA CYS 59 -8.090 4.554 -0.749 463 HB2 CYS 59 2HB CYS 59 -6.856 5.715 -3.278 464 HB3 CYS 59 3HB CYS 59 -8.276 6.318 -2.424 465 HG CYS 59 HG CYS 59 -5.833 6.253 -0.273 466 H TYR 60 H TYR 60 -6.699 3.264 -3.798 467 HA TYR 60 HA TYR 60 -9.069 2.833 -5.214 468 HB2 TYR 60 2HB TYR 60 -6.354 1.492 -5.480 469 HB3 TYR 60 3HB TYR 60 -7.680 1.156 -6.591 470 HD1 TYR 60 HD1 TYR 60 -8.862 3.813 -7.023 471 HD2 TYR 60 HD2 TYR 60 -4.745 2.692 -6.761 472 HE1 TYR 60 HE1 TYR 60 -8.250 5.730 -8.421 473 HE2 TYR 60 HE2 TYR 60 -4.134 4.614 -8.147 474 HH TYR 60 HH TYR 60 -6.278 7.149 -8.842 475 H THR 61 H THR 61 -7.430 0.653 -2.923 476 HA THR 61 HA THR 61 -9.051 -1.628 -3.258 477 HB THR 61 HB THR 61 -8.479 -2.132 -0.822 478 HG1 THR 61 HG1 THR 61 -6.837 0.176 -0.919 479 HG21 THR 61 3HG2 THR 61 -6.961 -2.876 -2.633 480 HG22 THR 61 1HG2 THR 61 -6.056 -2.430 -1.181 481 HG23 THR 61 2HG2 THR 61 -6.112 -1.331 -2.559 482 H LYS 62 H LYS 62 -9.478 1.320 -1.335 483 HA LYS 62 HA LYS 62 -11.842 0.500 0.081 484 HB2 LYS 62 2HB LYS 62 -10.578 3.236 -0.349 485 HB3 LYS 62 3HB LYS 62 -11.898 2.920 0.771 486 HG2 LYS 62 2HG LYS 62 -9.149 1.630 0.967 487 HG3 LYS 62 3HG LYS 62 -9.627 3.091 1.842 488 HD2 LYS 62 2HD LYS 62 -10.993 0.378 2.105 489 HD3 LYS 62 3HD LYS 62 -9.789 1.014 3.229 490 HE2 LYS 62 2HE LYS 62 -11.271 2.812 3.898 491 HE3 LYS 62 3HE LYS 62 -12.426 2.405 2.629 492 HZ1 LYS 62 3HZ LYS 62 -12.880 0.340 3.714 493 HZ2 LYS 62 1HZ LYS 62 -13.106 1.609 4.808 494 HZ3 LYS 62 2HZ LYS 62 -11.717 0.645 4.897 495 H LEU 63 H LEU 63 -11.154 2.017 -2.953 496 HA LEU 63 HA LEU 63 -13.922 2.825 -3.469 497 HB2 LEU 63 2HB LEU 63 -11.395 3.121 -5.145 498 HB3 LEU 63 3HB LEU 63 -12.965 3.799 -5.556 499 HG LEU 63 HG LEU 63 -11.255 4.590 -3.158 500 HD11 LEU 63 1HD1 LEU 63 -10.329 5.436 -5.250 501 HD12 LEU 63 2HD1 LEU 63 -10.979 6.750 -4.274 502 HD13 LEU 63 3HD1 LEU 63 -11.884 6.161 -5.673 503 HD21 LEU 63 3HD2 LEU 63 -12.943 6.358 -2.778 504 HD22 LEU 63 1HD2 LEU 63 -13.599 4.737 -2.562 505 HD23 LEU 63 2HD2 LEU 63 -13.961 5.650 -4.034 506 H LEU 64 H LEU 64 -12.425 -0.062 -3.484 507 HA LEU 64 HA LEU 64 -12.837 -2.077 -4.362 508 HB2 LEU 64 2HB LEU 64 -15.272 -0.665 -5.496 509 HB3 LEU 64 3HB LEU 64 -14.968 -2.350 -5.858 510 HG LEU 64 HG LEU 64 -16.604 -2.221 -4.080 511 HD11 LEU 64 1HD1 LEU 64 -15.587 -3.579 -2.354 512 HD12 LEU 64 2HD1 LEU 64 -13.973 -3.104 -2.885 513 HD13 LEU 64 3HD1 LEU 64 -15.008 -4.065 -3.946 514 HD21 LEU 64 3HD2 LEU 64 -16.202 -1.180 -1.898 515 HD22 LEU 64 1HD2 LEU 64 -16.117 0.012 -3.194 516 HD23 LEU 64 2HD2 LEU 64 -14.632 -0.585 -2.449 517 H GLU 65 H GLU 65 -11.488 0.223 -5.996 518 HA GLU 65 HA GLU 65 -11.273 -1.021 -8.646 519 HB2 GLU 65 2HB GLU 65 -9.999 1.501 -7.486 520 HB3 GLU 65 3HB GLU 65 -9.910 0.996 -9.174 521 HG2 GLU 65 2HG GLU 65 -12.317 1.314 -9.427 522 HG3 GLU 65 3HG GLU 65 -12.474 1.719 -7.717 523 H PHE 66 H PHE 66 -10.421 -2.705 -6.686 524 HA PHE 66 HA PHE 66 -7.822 -2.678 -5.736 525 HB2 PHE 66 2HB PHE 66 -9.594 -4.989 -6.583 526 HB3 PHE 66 3HB PHE 66 -8.007 -5.255 -5.886 527 HD1 PHE 66 HD2 PHE 66 -11.402 -3.880 -5.160 528 HD2 PHE 66 HD1 PHE 66 -7.664 -5.187 -3.542 529 HE1 PHE 66 HE2 PHE 66 -12.364 -3.888 -2.902 530 HE2 PHE 66 HE1 PHE 66 -8.641 -5.202 -1.293 531 HZ PHE 66 HZ PHE 66 -10.993 -4.553 -0.969 532 H GLN 67 H GLN 67 -8.967 -3.513 -8.991 533 HA GLN 67 HA GLN 67 -6.723 -4.778 -10.080 534 HB2 GLN 67 2HB GLN 67 -8.671 -2.879 -11.467 535 HB3 GLN 67 3HB GLN 67 -7.568 -3.969 -12.301 536 HG2 GLN 67 2HG GLN 67 -9.908 -4.769 -10.540 537 HG3 GLN 67 3HG GLN 67 -9.826 -4.871 -12.298 538 HE21 GLN 67 1HE2 GLN 67 -8.797 -6.297 -9.288 539 HE22 GLN 67 2HE2 GLN 67 -8.156 -7.754 -9.962 540 H LEU 68 H LEU 68 -7.417 -1.333 -9.655 541 HA LEU 68 HA LEU 68 -5.075 -0.383 -11.039 542 HB2 LEU 68 2HB LEU 68 -6.752 1.154 -9.015 543 HB3 LEU 68 3HB LEU 68 -5.703 1.822 -10.258 544 HG LEU 68 HG LEU 68 -8.418 0.508 -10.615 545 HD11 LEU 68 1HD1 LEU 68 -8.471 2.849 -9.962 546 HD12 LEU 68 2HD1 LEU 68 -9.063 2.639 -11.607 547 HD13 LEU 68 3HD1 LEU 68 -7.439 3.281 -11.331 548 HD21 LEU 68 3HD2 LEU 68 -7.020 -0.357 -12.412 549 HD22 LEU 68 1HD2 LEU 68 -6.499 1.276 -12.838 550 HD23 LEU 68 2HD2 LEU 68 -8.186 0.797 -13.047 551 H ALA 69 H ALA 69 -6.038 -1.001 -7.709 552 HA ALA 69 HA ALA 69 -3.857 0.063 -6.303 553 HB1 ALA 69 3HB ALA 69 -4.662 -1.298 -4.421 554 HB2 ALA 69 1HB ALA 69 -5.668 -2.244 -5.518 555 HB3 ALA 69 2HB ALA 69 -6.014 -0.533 -5.260 556 H LEU 70 H LEU 70 -4.322 -3.093 -7.812 557 HA LEU 70 HA LEU 70 -2.061 -4.386 -6.658 558 HB2 LEU 70 2HB LEU 70 -3.676 -5.063 -9.143 559 HB3 LEU 70 3HB LEU 70 -2.441 -6.108 -8.452 560 HG LEU 70 HG LEU 70 -5.049 -5.310 -7.101 561 HD11 LEU 70 1HD1 LEU 70 -5.446 -6.847 -8.919 562 HD12 LEU 70 2HD1 LEU 70 -5.680 -7.669 -7.379 563 HD13 LEU 70 3HD1 LEU 70 -4.206 -7.948 -8.310 564 HD21 LEU 70 3HD2 LEU 70 -3.290 -5.632 -5.423 565 HD22 LEU 70 1HD2 LEU 70 -2.904 -7.214 -6.105 566 HD23 LEU 70 2HD2 LEU 70 -4.475 -6.932 -5.345 567 H LYS 71 H LYS 71 -2.703 -3.104 -9.960 568 HA LYS 71 HA LYS 71 -0.075 -3.524 -10.924 569 HB2 LYS 71 2HB LYS 71 -0.695 -2.206 -12.870 570 HB3 LYS 71 3HB LYS 71 -2.020 -3.273 -12.429 571 HG2 LYS 71 2HG LYS 71 -3.228 -1.377 -11.417 572 HG3 LYS 71 3HG LYS 71 -1.889 -0.299 -11.811 573 HD2 LYS 71 2HD LYS 71 -3.670 -0.015 -13.459 574 HD3 LYS 71 3HD LYS 71 -2.264 -0.741 -14.237 575 HE2 LYS 71 2HE LYS 71 -3.376 -2.984 -14.035 576 HE3 LYS 71 3HE LYS 71 -4.797 -2.182 -13.362 577 HZ1 LYS 71 3HZ LYS 71 -3.659 -1.708 -16.064 578 HZ2 LYS 71 1HZ LYS 71 -5.044 -0.967 -15.435 579 HZ3 LYS 71 2HZ LYS 71 -5.032 -2.632 -15.729 580 H ASP 72 H ASP 72 -1.459 -0.884 -9.088 581 HA ASP 72 HA ASP 72 0.510 1.094 -9.438 582 HB2 ASP 72 2HB ASP 72 -1.773 0.683 -7.703 583 HB3 ASP 72 3HB ASP 72 -0.428 1.163 -6.682 584 H CYS 73 H CYS 73 0.302 -1.539 -7.049 585 HA CYS 73 HA CYS 73 2.863 -0.994 -5.868 586 HB2 CYS 73 2HB CYS 73 1.101 -2.056 -4.550 587 HB3 CYS 73 3HB CYS 73 1.063 -3.429 -5.651 588 HG CYS 73 HG CYS 73 4.141 -3.146 -4.629 589 H GLU 74 H GLU 74 1.716 -3.002 -8.523 590 HA GLU 74 HA GLU 74 3.999 -4.693 -8.781 591 HB2 GLU 74 2HB GLU 74 1.887 -3.907 -10.831 592 HB3 GLU 74 3HB GLU 74 3.106 -5.148 -11.107 593 HG2 GLU 74 2HG GLU 74 0.997 -5.253 -8.920 594 HG3 GLU 74 3HG GLU 74 0.859 -6.044 -10.485 595 H GLU 75 H GLU 75 3.278 -1.446 -10.012 596 HA GLU 75 HA GLU 75 5.631 -1.401 -11.752 597 HB2 GLU 75 2HB GLU 75 4.950 0.900 -12.334 598 HB3 GLU 75 3HB GLU 75 3.639 -0.246 -12.556 599 HG2 GLU 75 2HG GLU 75 2.592 0.523 -10.461 600 HG3 GLU 75 3HG GLU 75 3.919 1.657 -10.208 601 H CYS 76 H CYS 76 4.564 0.088 -8.691 602 HA CYS 76 HA CYS 76 6.720 1.929 -8.524 603 HB2 CYS 76 2HB CYS 76 5.816 2.478 -6.355 604 HB3 CYS 76 3HB CYS 76 4.481 2.220 -7.469 605 HG CYS 76 HG CYS 76 3.264 0.829 -5.721 606 H ILE 77 H ILE 77 6.299 -1.362 -7.407 607 HA ILE 77 HA ILE 77 8.406 -1.587 -5.551 608 HB ILE 77 HB ILE 77 6.490 -3.226 -5.979 609 HG12 ILE 77 2HG1 ILE 77 8.675 -3.764 -4.592 610 HG13 ILE 77 3HG1 ILE 77 7.551 -5.056 -4.968 611 HG21 ILE 77 1HG2 ILE 77 8.236 -4.219 -8.252 612 HG22 ILE 77 2HG2 ILE 77 6.667 -3.427 -8.402 613 HG23 ILE 77 3HG2 ILE 77 6.783 -5.020 -7.650 614 HD11 ILE 77 3HD1 ILE 77 9.858 -5.749 -5.193 615 HD12 ILE 77 1HD1 ILE 77 10.140 -4.506 -6.408 616 HD13 ILE 77 2HD1 ILE 77 9.027 -5.836 -6.745 617 H GLN 78 H GLN 78 8.421 -1.298 -9.038 618 HA GLN 78 HA GLN 78 11.009 -2.475 -9.508 619 HB2 GLN 78 2HB GLN 78 9.532 -0.538 -11.330 620 HB3 GLN 78 3HB GLN 78 10.790 -1.685 -11.789 621 HG2 GLN 78 2HG GLN 78 7.985 -2.372 -10.846 622 HG3 GLN 78 3HG GLN 78 8.572 -2.455 -12.503 623 HE21 GLN 78 1HE2 GLN 78 7.413 -4.537 -10.743 624 HE22 GLN 78 2HE2 GLN 78 8.567 -5.826 -10.730 625 H LEU 79 H LEU 79 9.835 0.667 -8.553 626 HA LEU 79 HA LEU 79 12.366 2.068 -8.983 627 HB2 LEU 79 2HB LEU 79 9.841 2.974 -7.531 628 HB3 LEU 79 3HB LEU 79 11.200 4.002 -7.970 629 HG LEU 79 HG LEU 79 9.288 2.646 -9.913 630 HD11 LEU 79 1HD1 LEU 79 9.567 5.578 -9.204 631 HD12 LEU 79 2HD1 LEU 79 8.242 4.511 -8.736 632 HD13 LEU 79 3HD1 LEU 79 8.496 4.898 -10.435 633 HD21 LEU 79 3HD2 LEU 79 11.638 4.481 -10.492 634 HD22 LEU 79 1HD2 LEU 79 10.448 3.926 -11.677 635 HD23 LEU 79 2HD2 LEU 79 11.515 2.766 -10.894 636 H GLU 80 H GLU 80 10.374 0.939 -6.278 637 HA GLU 80 HA GLU 80 12.685 0.886 -4.447 638 HB2 GLU 80 2HB GLU 80 11.756 2.993 -3.852 639 HB3 GLU 80 3HB GLU 80 10.116 2.438 -4.069 640 HG2 GLU 80 2HG GLU 80 10.414 2.749 -1.735 641 HG3 GLU 80 3HG GLU 80 10.365 1.014 -2.012 642 HA PRO 81 HA PRO 81 10.383 -3.054 -4.068 643 HB2 PRO 81 2HB PRO 81 12.919 -4.212 -3.090 644 HB3 PRO 81 3HB PRO 81 12.046 -4.567 -4.594 645 HG2 PRO 81 2HG PRO 81 14.431 -3.283 -4.591 646 HG3 PRO 81 3HG PRO 81 13.168 -2.946 -5.797 647 HD2 PRO 81 2HD PRO 81 13.808 -1.396 -3.277 648 HD3 PRO 81 3HD PRO 81 13.554 -0.788 -4.934 649 H THR 82 H THR 82 12.337 -1.487 -1.543 650 HA THR 82 HA THR 82 11.497 -3.459 0.473 651 HB THR 82 HB THR 82 13.217 -2.490 1.934 652 HG1 THR 82 HG1 THR 82 13.000 -0.363 0.297 653 HG21 THR 82 3HG2 THR 82 13.955 -4.198 0.281 654 HG22 THR 82 1HG2 THR 82 15.241 -3.039 0.636 655 HG23 THR 82 2HG2 THR 82 14.327 -2.912 -0.869 656 H PHE 83 H PHE 83 9.842 -1.003 -0.647 657 HA PHE 83 HA PHE 83 9.175 0.511 1.673 658 HB2 PHE 83 2HB PHE 83 7.310 1.401 0.429 659 HB3 PHE 83 3HB PHE 83 8.691 1.289 -0.647 660 HD1 PHE 83 HD1 PHE 83 8.717 -1.253 -1.876 661 HD2 PHE 83 HD2 PHE 83 5.291 0.968 -0.633 662 HE1 PHE 83 HE1 PHE 83 7.356 -2.427 -3.538 663 HE2 PHE 83 HE2 PHE 83 3.935 -0.215 -2.311 664 HZ PHE 83 HZ PHE 83 4.961 -1.914 -3.764 665 H ILE 84 H ILE 84 8.022 -0.069 3.396 666 HA ILE 84 HA ILE 84 7.028 -2.792 3.639 667 HB ILE 84 HB ILE 84 7.354 -0.554 5.690 668 HG12 ILE 84 2HG1 ILE 84 8.987 -3.086 5.182 669 HG13 ILE 84 3HG1 ILE 84 9.496 -1.435 4.856 670 HG21 ILE 84 1HG2 ILE 84 6.538 -3.431 6.223 671 HG22 ILE 84 2HG2 ILE 84 5.516 -2.006 6.421 672 HG23 ILE 84 3HG2 ILE 84 6.924 -2.228 7.458 673 HD11 ILE 84 3HD1 ILE 84 10.574 -2.289 6.837 674 HD12 ILE 84 1HD1 ILE 84 9.017 -2.651 7.583 675 HD13 ILE 84 2HD1 ILE 84 9.484 -0.976 7.275 676 H LYS 85 H LYS 85 5.738 0.495 3.653 677 HA LYS 85 HA LYS 85 3.191 0.095 4.756 678 HB2 LYS 85 2HB LYS 85 4.032 2.133 2.661 679 HB3 LYS 85 3HB LYS 85 2.575 2.240 3.641 680 HG2 LYS 85 2HG LYS 85 5.327 2.177 4.910 681 HG3 LYS 85 3HG LYS 85 4.644 3.670 4.284 682 HD2 LYS 85 2HD LYS 85 4.172 3.699 6.607 683 HD3 LYS 85 3HD LYS 85 2.646 3.273 5.841 684 HE2 LYS 85 2HE LYS 85 2.980 0.912 6.468 685 HE3 LYS 85 3HE LYS 85 4.561 1.306 7.148 686 HZ1 LYS 85 3HZ LYS 85 2.718 1.108 8.777 687 HZ2 LYS 85 1HZ LYS 85 2.032 2.502 8.113 688 HZ3 LYS 85 2HZ LYS 85 3.555 2.572 8.845 689 H GLY 86 H GLY 86 4.351 -0.444 1.495 690 HA2 GLY 86 2HA GLY 86 1.773 -0.617 0.250 691 HA3 GLY 86 3HA GLY 86 3.320 -1.026 -0.460 692 H TYR 87 H TYR 87 4.123 -2.930 1.517 693 HA TYR 87 HA TYR 87 3.150 -5.262 0.306 694 HB2 TYR 87 2HB TYR 87 4.918 -4.683 2.678 695 HB3 TYR 87 3HB TYR 87 4.349 -6.333 2.449 696 HD1 TYR 87 HD2 TYR 87 5.597 -3.701 0.023 697 HD2 TYR 87 HD1 TYR 87 6.094 -7.636 1.607 698 HE1 TYR 87 HE2 TYR 87 7.399 -4.123 -1.589 699 HE2 TYR 87 HE1 TYR 87 7.893 -8.066 -0.008 700 HH TYR 87 HH TYR 87 9.351 -5.601 -1.852 701 H THR 88 H THR 88 2.253 -3.823 3.454 702 HA THR 88 HA THR 88 0.591 -5.965 4.306 703 HB THR 88 HB THR 88 1.468 -4.396 5.945 704 HG1 THR 88 HG1 THR 88 -0.504 -3.982 7.072 705 HG21 THR 88 3HG2 THR 88 0.655 -2.081 6.174 706 HG22 THR 88 1HG2 THR 88 -0.284 -2.258 4.689 707 HG23 THR 88 2HG2 THR 88 1.480 -2.311 4.627 708 H ARG 89 H ARG 89 0.001 -3.137 2.283 709 HA ARG 89 HA ARG 89 -2.897 -3.356 2.281 710 HB2 ARG 89 2HB ARG 89 -1.074 -1.683 0.493 711 HB3 ARG 89 3HB ARG 89 -2.817 -1.481 0.672 712 HG2 ARG 89 2HG ARG 89 -0.717 -1.010 2.820 713 HG3 ARG 89 3HG ARG 89 -1.614 0.234 1.941 714 HD2 ARG 89 2HD ARG 89 -3.690 -0.419 2.999 715 HD3 ARG 89 3HD ARG 89 -2.941 -1.858 3.709 716 HE ARG 89 HE ARG 89 -1.607 0.522 4.549 717 HH11 ARG 89 1HH1 ARG 89 -4.524 -1.361 5.165 718 HH12 ARG 89 2HH1 ARG 89 -4.693 -0.793 6.790 719 HH21 ARG 89 1HH2 ARG 89 -1.840 1.247 6.691 720 HH22 ARG 89 2HH2 ARG 89 -3.167 0.690 7.661 721 H LYS 90 H LYS 90 -0.221 -4.330 0.240 722 HA LYS 90 HA LYS 90 -1.677 -4.996 -2.123 723 HB2 LYS 90 2HB LYS 90 0.771 -4.455 -2.066 724 HB3 LYS 90 3HB LYS 90 1.070 -5.939 -1.177 725 HG2 LYS 90 2HG LYS 90 1.668 -6.105 -3.575 726 HG3 LYS 90 3HG LYS 90 0.448 -7.289 -3.092 727 HD2 LYS 90 2HD LYS 90 -1.287 -6.157 -4.237 728 HD3 LYS 90 3HD LYS 90 -0.382 -4.645 -4.319 729 HE2 LYS 90 2HE LYS 90 -0.575 -5.819 -6.516 730 HE3 LYS 90 3HE LYS 90 1.090 -5.535 -6.013 731 HZ1 LYS 90 3HZ LYS 90 0.831 -7.731 -6.919 732 HZ2 LYS 90 1HZ LYS 90 -0.381 -8.109 -5.802 733 HZ3 LYS 90 2HZ LYS 90 1.204 -7.844 -5.279 734 H ALA 91 H ALA 91 -0.430 -6.829 0.627 735 HA ALA 91 HA ALA 91 -1.307 -9.400 -0.217 736 HB1 ALA 91 3HB ALA 91 -0.684 -10.054 2.084 737 HB2 ALA 91 1HB ALA 91 -0.508 -8.350 2.511 738 HB3 ALA 91 2HB ALA 91 0.564 -9.074 1.310 739 H ALA 92 H ALA 92 -2.698 -6.882 1.886 740 HA ALA 92 HA ALA 92 -5.040 -8.239 2.708 741 HB1 ALA 92 3HB ALA 92 -4.627 -5.256 2.291 742 HB2 ALA 92 1HB ALA 92 -4.262 -6.155 3.768 743 HB3 ALA 92 2HB ALA 92 -5.931 -6.000 3.221 744 H ALA 93 H ALA 93 -4.262 -6.421 -0.222 745 HA ALA 93 HA ALA 93 -6.851 -6.476 -1.403 746 HB1 ALA 93 3HB ALA 93 -4.130 -6.239 -2.731 747 HB2 ALA 93 1HB ALA 93 -5.109 -4.897 -2.130 748 HB3 ALA 93 2HB ALA 93 -5.684 -5.871 -3.485 749 H LEU 94 H LEU 94 -3.988 -8.589 -1.631 750 HA LEU 94 HA LEU 94 -4.935 -10.473 -3.494 751 HB2 LEU 94 2HB LEU 94 -2.921 -10.763 -1.241 752 HB3 LEU 94 3HB LEU 94 -3.231 -12.044 -2.405 753 HG LEU 94 HG LEU 94 -2.185 -9.273 -3.115 754 HD11 LEU 94 1HD1 LEU 94 -0.665 -11.885 -2.986 755 HD12 LEU 94 2HD1 LEU 94 -0.511 -10.533 -1.862 756 HD13 LEU 94 3HD1 LEU 94 -0.041 -10.330 -3.546 757 HD21 LEU 94 3HD2 LEU 94 -2.548 -11.739 -4.852 758 HD22 LEU 94 1HD2 LEU 94 -1.762 -10.235 -5.345 759 HD23 LEU 94 2HD2 LEU 94 -3.476 -10.238 -4.948 760 H GLU 95 H GLU 95 -5.411 -10.298 0.032 761 HA GLU 95 HA GLU 95 -6.778 -12.694 0.455 762 HB2 GLU 95 2HB GLU 95 -6.195 -11.242 2.322 763 HB3 GLU 95 3HB GLU 95 -7.249 -9.966 1.721 764 HG2 GLU 95 2HG GLU 95 -9.233 -11.342 2.175 765 HG3 GLU 95 3HG GLU 95 -8.213 -12.686 2.687 766 H ALA 96 H ALA 96 -7.976 -9.644 -0.965 767 HA ALA 96 HA ALA 96 -10.733 -10.549 -1.180 768 HB1 ALA 96 3HB ALA 96 -9.340 -8.155 -2.438 769 HB2 ALA 96 1HB ALA 96 -10.208 -8.158 -0.899 770 HB3 ALA 96 2HB ALA 96 -11.084 -8.433 -2.404 771 H MET 97 H MET 97 -7.873 -11.170 -2.892 772 HA MET 97 HA MET 97 -9.208 -11.731 -5.477 773 HB2 MET 97 2HB MET 97 -6.249 -11.610 -4.745 774 HB3 MET 97 3HB MET 97 -6.872 -11.987 -6.353 775 HG2 MET 97 2HG MET 97 -7.186 -9.377 -4.860 776 HG3 MET 97 3HG MET 97 -6.188 -9.684 -6.291 777 HE1 MET 97 3HE MET 97 -9.272 -7.410 -7.426 778 HE2 MET 97 1HE MET 97 -7.515 -7.472 -7.317 779 HE3 MET 97 2HE MET 97 -8.487 -7.426 -5.847 780 H LYS 98 H LYS 98 -8.720 -13.273 -2.659 781 HA LYS 98 HA LYS 98 -8.809 -15.382 -1.908 782 HB2 LYS 98 2HB LYS 98 -9.115 -16.209 -4.823 783 HB3 LYS 98 3HB LYS 98 -9.354 -17.284 -3.447 784 HG2 LYS 98 2HG LYS 98 -11.007 -14.812 -4.080 785 HG3 LYS 98 3HG LYS 98 -11.490 -16.480 -4.400 786 HD2 LYS 98 2HD LYS 98 -10.952 -15.293 -1.645 787 HD3 LYS 98 3HD LYS 98 -12.546 -15.552 -2.356 788 HE2 LYS 98 2HE LYS 98 -10.534 -17.740 -1.717 789 HE3 LYS 98 3HE LYS 98 -11.956 -17.335 -0.755 790 HZ1 LYS 98 3HZ LYS 98 -12.398 -19.222 -2.157 791 HZ2 LYS 98 1HZ LYS 98 -11.971 -18.354 -3.544 792 HZ3 LYS 98 2HZ LYS 98 -13.343 -17.915 -2.662 793 H ASP 99 H ASP 99 -6.268 -14.094 -3.251 794 HA ASP 99 HA ASP 99 -4.542 -16.442 -3.631 795 HB2 ASP 99 2HB ASP 99 -4.075 -13.444 -3.964 796 HB3 ASP 99 3HB ASP 99 -2.812 -14.644 -4.193 797 H TYR 100 H TYR 100 -5.409 -16.521 -1.123 798 HA TYR 100 HA TYR 100 -4.139 -15.124 0.922 799 HB2 TYR 100 2HB TYR 100 -4.909 -18.072 0.999 800 HB3 TYR 100 3HB TYR 100 -4.778 -16.978 2.376 801 HD1 TYR 100 HD1 TYR 100 -6.234 -14.584 1.482 802 HD2 TYR 100 HD2 TYR 100 -7.207 -18.701 0.873 803 HE1 TYR 100 HE1 TYR 100 -8.589 -14.004 1.260 804 HE2 TYR 100 HE2 TYR 100 -9.582 -18.108 0.665 805 HH TYR 100 HH TYR 100 -11.092 -16.259 1.407 806 H THR 101 H THR 101 -3.048 -17.936 -0.892 807 HA THR 101 HA THR 101 -0.701 -18.571 0.530 808 HB THR 101 HB THR 101 -0.048 -19.757 -1.610 809 HG1 THR 101 HG1 THR 101 -1.159 -19.408 -3.408 810 HG21 THR 101 3HG2 THR 101 -2.910 -20.218 -0.673 811 HG22 THR 101 1HG2 THR 101 -1.456 -20.931 0.039 812 HG23 THR 101 2HG2 THR 101 -1.941 -21.364 -1.601 813 H LYS 102 H LYS 102 -1.383 -16.185 -1.996 814 HA LYS 102 HA LYS 102 1.435 -15.517 -2.431 815 HB2 LYS 102 2HB LYS 102 -1.069 -14.109 -3.448 816 HB3 LYS 102 3HB LYS 102 0.577 -13.781 -3.974 817 HG2 LYS 102 2HG LYS 102 -0.906 -16.399 -4.423 818 HG3 LYS 102 3HG LYS 102 -0.766 -15.102 -5.604 819 HD2 LYS 102 2HD LYS 102 0.906 -16.565 -6.313 820 HD3 LYS 102 3HD LYS 102 1.832 -15.444 -5.319 821 HE2 LYS 102 2HE LYS 102 1.734 -17.099 -3.441 822 HE3 LYS 102 3HE LYS 102 0.844 -18.200 -4.494 823 HZ1 LYS 102 3HZ LYS 102 2.726 -18.323 -5.944 824 HZ2 LYS 102 1HZ LYS 102 3.213 -18.699 -4.370 825 HZ3 LYS 102 2HZ LYS 102 3.574 -17.183 -5.027 826 H ALA 103 H ALA 103 -1.331 -14.381 -0.643 827 HA ALA 103 HA ALA 103 -0.488 -11.788 0.034 828 HB1 ALA 103 3HB ALA 103 -2.223 -11.893 1.791 829 HB2 ALA 103 1HB ALA 103 -2.379 -13.634 1.538 830 HB3 ALA 103 2HB ALA 103 -2.834 -12.510 0.254 831 H MET 104 H MET 104 -0.307 -14.898 1.771 832 HA MET 104 HA MET 104 1.056 -13.974 4.064 833 HB2 MET 104 2HB MET 104 1.476 -16.301 4.594 834 HB3 MET 104 3HB MET 104 -0.152 -16.134 3.960 835 HG2 MET 104 2HG MET 104 0.569 -17.056 1.811 836 HG3 MET 104 3HG MET 104 2.229 -17.167 2.402 837 HE1 MET 104 3HE MET 104 -1.213 -19.601 4.301 838 HE2 MET 104 1HE MET 104 -1.479 -18.366 3.071 839 HE3 MET 104 2HE MET 104 -0.913 -17.906 4.680 840 H ASP 105 H ASP 105 2.251 -14.933 0.884 841 HA ASP 105 HA ASP 105 5.013 -15.111 1.543 842 HB2 ASP 105 2HB ASP 105 3.675 -14.436 -1.114 843 HB3 ASP 105 3HB ASP 105 5.400 -14.738 -0.926 844 H VAL 106 H VAL 106 2.839 -12.444 0.732 845 HA VAL 106 HA VAL 106 4.971 -10.497 0.354 846 HB VAL 106 HB VAL 106 1.945 -10.099 0.565 847 HG11 VAL 106 1HG1 VAL 106 3.149 -8.000 1.067 848 HG12 VAL 106 2HG1 VAL 106 2.313 -7.884 -0.482 849 HG13 VAL 106 3HG1 VAL 106 4.060 -8.150 -0.438 850 HG21 VAL 106 3HG2 VAL 106 1.960 -9.964 -1.890 851 HG22 VAL 106 1HG2 VAL 106 2.613 -11.513 -1.354 852 HG23 VAL 106 2HG2 VAL 106 3.703 -10.246 -1.913 853 H TYR 107 H TYR 107 2.696 -11.446 2.893 854 HA TYR 107 HA TYR 107 3.296 -9.462 4.818 855 HB2 TYR 107 2HB TYR 107 2.249 -12.307 5.109 856 HB3 TYR 107 3HB TYR 107 2.451 -11.233 6.487 857 HD1 TYR 107 HD1 TYR 107 1.397 -8.689 5.648 858 HD2 TYR 107 HD2 TYR 107 -0.065 -12.577 4.697 859 HE1 TYR 107 HE1 TYR 107 -0.861 -7.764 5.380 860 HE2 TYR 107 HE2 TYR 107 -2.308 -11.662 4.411 861 HH TYR 107 HH TYR 107 -2.959 -8.326 4.233 862 H GLN 108 H GLN 108 4.643 -12.670 4.135 863 HA GLN 108 HA GLN 108 6.451 -12.901 6.278 864 HB2 GLN 108 2HB GLN 108 5.616 -14.692 4.578 865 HB3 GLN 108 3HB GLN 108 6.880 -14.107 3.515 866 HG2 GLN 108 2HG GLN 108 7.456 -15.160 6.293 867 HG3 GLN 108 3HG GLN 108 7.350 -16.214 4.886 868 HE21 GLN 108 1HE2 GLN 108 9.174 -13.665 6.418 869 HE22 GLN 108 2HE2 GLN 108 10.621 -13.871 5.501 870 H LYS 109 H LYS 109 6.945 -11.839 2.905 871 HA LYS 109 HA LYS 109 9.635 -11.070 3.132 872 HB2 LYS 109 2HB LYS 109 7.483 -10.196 1.175 873 HB3 LYS 109 3HB LYS 109 9.168 -9.702 1.024 874 HG2 LYS 109 2HG LYS 109 8.100 -12.544 0.892 875 HG3 LYS 109 3HG LYS 109 8.712 -11.580 -0.458 876 HD2 LYS 109 2HD LYS 109 10.343 -12.537 1.936 877 HD3 LYS 109 3HD LYS 109 10.373 -13.244 0.325 878 HE2 LYS 109 2HE LYS 109 11.345 -11.203 -0.602 879 HE3 LYS 109 3HE LYS 109 11.196 -10.385 0.955 880 HZ1 LYS 109 3HZ LYS 109 12.779 -11.903 1.901 881 HZ2 LYS 109 1HZ LYS 109 13.443 -11.181 0.522 882 HZ3 LYS 109 2HZ LYS 109 12.880 -12.776 0.455 883 H ALA 110 H ALA 110 6.657 -9.278 3.757 884 HA ALA 110 HA ALA 110 7.755 -6.691 4.059 885 HB1 ALA 110 3HB ALA 110 5.344 -7.190 3.784 886 HB2 ALA 110 1HB ALA 110 5.660 -6.145 5.170 887 HB3 ALA 110 2HB ALA 110 5.303 -7.857 5.415 888 H LEU 111 H LEU 111 7.136 -9.283 6.420 889 HA LEU 111 HA LEU 111 8.193 -7.991 8.730 890 HB2 LEU 111 2HB LEU 111 7.873 -10.955 8.096 891 HB3 LEU 111 3HB LEU 111 8.229 -10.310 9.693 892 HG LEU 111 HG LEU 111 5.677 -9.702 8.142 893 HD11 LEU 111 1HD1 LEU 111 4.525 -11.241 9.650 894 HD12 LEU 111 2HD1 LEU 111 6.066 -11.698 10.382 895 HD13 LEU 111 3HD1 LEU 111 5.745 -12.074 8.686 896 HD21 LEU 111 3HD2 LEU 111 6.262 -7.952 9.756 897 HD22 LEU 111 1HD2 LEU 111 6.382 -9.155 11.043 898 HD23 LEU 111 2HD2 LEU 111 4.827 -8.832 10.271 899 H ASP 112 H ASP 112 9.574 -9.895 6.142 900 HA ASP 112 HA ASP 112 12.188 -10.310 7.230 901 HB2 ASP 112 2HB ASP 112 11.287 -11.812 5.524 902 HB3 ASP 112 3HB ASP 112 11.062 -10.474 4.404 903 H LEU 113 H LEU 113 10.625 -7.660 5.509 904 HA LEU 113 HA LEU 113 12.985 -6.198 4.791 905 HB2 LEU 113 2HB LEU 113 10.182 -5.121 5.344 906 HB3 LEU 113 3HB LEU 113 11.484 -4.213 4.593 907 HG LEU 113 HG LEU 113 10.069 -6.630 3.411 908 HD11 LEU 113 1HD1 LEU 113 9.961 -3.734 2.561 909 HD12 LEU 113 2HD1 LEU 113 8.669 -4.663 3.326 910 HD13 LEU 113 3HD1 LEU 113 9.219 -5.096 1.710 911 HD21 LEU 113 3HD2 LEU 113 11.381 -6.217 1.355 912 HD22 LEU 113 1HD2 LEU 113 12.389 -6.704 2.716 913 HD23 LEU 113 2HD2 LEU 113 12.338 -5.009 2.219 914 H ASP 114 H ASP 114 10.663 -5.756 7.562 915 HA ASP 114 HA ASP 114 12.793 -5.708 9.458 916 HB2 ASP 114 2HB ASP 114 12.899 -3.315 8.506 917 HB3 ASP 114 3HB ASP 114 11.326 -3.034 9.241 918 H SER 115 H SER 115 12.100 -5.672 11.646 919 HA SER 115 HA SER 115 9.763 -6.968 12.370 920 HB2 SER 115 2HB SER 115 11.447 -5.083 14.071 921 HB3 SER 115 3HB SER 115 10.330 -6.297 14.701 922 HG SER 115 HG SER 115 12.291 -7.240 14.738 923 H SER 116 H SER 116 10.271 -3.506 11.900 924 HA SER 116 HA SER 116 8.146 -2.308 13.195 925 HB2 SER 116 2HB SER 116 9.345 -1.634 10.472 926 HB3 SER 116 3HB SER 116 8.276 -0.563 11.382 927 HG SER 116 HG SER 116 10.914 -1.325 11.907 928 H CYS 117 H CYS 117 7.998 -4.466 10.498 929 HA CYS 117 HA CYS 117 5.446 -3.617 9.470 930 HB2 CYS 117 2HB CYS 117 7.263 -4.634 8.083 931 HB3 CYS 117 3HB CYS 117 6.972 -6.170 8.900 932 HG CYS 117 HG CYS 117 4.927 -6.904 7.553 933 H LYS 118 H LYS 118 5.919 -4.993 12.420 934 HA LYS 118 HA LYS 118 4.372 -7.254 12.663 935 HB2 LYS 118 2HB LYS 118 4.150 -4.887 14.568 936 HB3 LYS 118 3HB LYS 118 3.646 -6.536 14.925 937 HG2 LYS 118 2HG LYS 118 6.463 -5.490 14.569 938 HG3 LYS 118 3HG LYS 118 5.734 -6.173 16.019 939 HD2 LYS 118 2HD LYS 118 6.345 -7.716 13.460 940 HD3 LYS 118 3HD LYS 118 7.345 -7.723 14.910 941 HE2 LYS 118 2HE LYS 118 5.477 -8.750 16.172 942 HE3 LYS 118 3HE LYS 118 4.498 -8.762 14.702 943 HZ1 LYS 118 3HZ LYS 118 5.528 -10.899 15.106 944 HZ2 LYS 118 1HZ LYS 118 7.063 -10.193 15.092 945 HZ3 LYS 118 2HZ LYS 118 6.132 -10.216 13.682 946 H GLU 119 H GLU 119 3.071 -4.052 11.940 947 HA GLU 119 HA GLU 119 0.340 -4.391 12.360 948 HB2 GLU 119 2HB GLU 119 0.028 -2.629 10.646 949 HB3 GLU 119 3HB GLU 119 1.324 -2.234 11.768 950 HG2 GLU 119 2HG GLU 119 2.984 -2.987 10.055 951 HG3 GLU 119 3HG GLU 119 1.659 -3.270 8.931 952 H ALA 120 H ALA 120 2.318 -5.483 9.650 953 HA ALA 120 HA ALA 120 0.163 -6.562 8.077 954 HB1 ALA 120 3HB ALA 120 2.261 -5.717 7.054 955 HB2 ALA 120 1HB ALA 120 1.947 -7.397 6.622 956 HB3 ALA 120 2HB ALA 120 3.157 -7.014 7.842 957 H ALA 121 H ALA 121 2.172 -7.723 10.702 958 HA ALA 121 HA ALA 121 1.868 -10.545 10.247 959 HB1 ALA 121 3HB ALA 121 2.468 -9.077 12.837 960 HB2 ALA 121 1HB ALA 121 3.665 -9.675 11.686 961 HB3 ALA 121 2HB ALA 121 2.648 -10.813 12.570 962 H ASP 122 H ASP 122 0.009 -8.093 11.964 963 HA ASP 122 HA ASP 122 -1.980 -9.782 13.074 964 HB2 ASP 122 2HB ASP 122 -1.623 -7.383 13.742 965 HB3 ASP 122 3HB ASP 122 -2.249 -6.875 12.176 966 H GLY 123 H GLY 123 -1.742 -8.039 9.987 967 HA2 GLY 123 2HA GLY 123 -4.206 -8.868 8.852 968 HA3 GLY 123 3HA GLY 123 -2.814 -8.236 7.982 969 H TYR 124 H TYR 124 -1.079 -10.462 9.100 970 HA TYR 124 HA TYR 124 -1.339 -12.400 7.096 971 HB2 TYR 124 2HB TYR 124 0.806 -12.168 8.164 972 HB3 TYR 124 3HB TYR 124 0.124 -12.471 9.755 973 HD1 TYR 124 HD1 TYR 124 0.168 -14.278 6.433 974 HD2 TYR 124 HD2 TYR 124 0.719 -14.558 10.665 975 HE1 TYR 124 HE1 TYR 124 0.671 -16.668 6.215 976 HE2 TYR 124 HE2 TYR 124 1.230 -16.946 10.432 977 HH TYR 124 HH TYR 124 1.881 -18.426 7.457 978 H GLN 125 H GLN 125 -2.326 -12.575 10.536 979 HA GLN 125 HA GLN 125 -3.388 -15.124 10.671 980 HB2 GLN 125 2HB GLN 125 -4.037 -12.557 12.113 981 HB3 GLN 125 3HB GLN 125 -5.116 -13.920 12.352 982 HG2 GLN 125 2HG GLN 125 -3.390 -13.706 14.122 983 HG3 GLN 125 3HG GLN 125 -3.357 -15.262 13.294 984 HE21 GLN 125 1HE2 GLN 125 -1.715 -12.157 13.604 985 HE22 GLN 125 2HE2 GLN 125 -0.193 -12.702 12.999 986 H ARG 126 H ARG 126 -4.944 -12.209 9.442 987 HA ARG 126 HA ARG 126 -7.515 -13.113 8.898 988 HB2 ARG 126 2HB ARG 126 -5.706 -11.010 7.691 989 HB3 ARG 126 3HB ARG 126 -7.235 -11.342 6.899 990 HG2 ARG 126 2HG ARG 126 -7.068 -10.592 9.828 991 HG3 ARG 126 3HG ARG 126 -7.165 -9.390 8.538 992 HD2 ARG 126 2HD ARG 126 -9.213 -11.564 9.107 993 HD3 ARG 126 3HD ARG 126 -9.388 -9.843 9.479 994 HE ARG 126 HE ARG 126 -8.985 -10.732 6.693 995 HH11 ARG 126 1HH1 ARG 126 -11.087 -9.148 9.037 996 HH12 ARG 126 2HH1 ARG 126 -12.170 -8.559 7.825 997 HH21 ARG 126 1HH2 ARG 126 -10.393 -9.943 5.150 998 HH22 ARG 126 2HH2 ARG 126 -11.778 -9.012 5.615 999 H CYS 127 H CYS 127 -4.574 -13.359 6.833 1000 HA CYS 127 HA CYS 127 -6.110 -14.350 4.571 1001 HB2 CYS 127 2HB CYS 127 -3.153 -13.789 4.928 1002 HB3 CYS 127 3HB CYS 127 -3.862 -14.377 3.420 1003 HG CYS 127 HG CYS 127 -4.240 -11.340 4.900 1004 H MET 128 H MET 128 -3.654 -15.708 6.814 1005 HA MET 128 HA MET 128 -3.527 -18.266 5.619 1006 HB2 MET 128 2HB MET 128 -2.573 -19.084 7.751 1007 HB3 MET 128 3HB MET 128 -1.802 -17.606 7.208 1008 HG2 MET 128 2HG MET 128 -2.770 -16.323 8.929 1009 HG3 MET 128 3HG MET 128 -4.000 -17.537 9.278 1010 HE1 MET 128 3HE MET 128 -3.572 -19.746 10.650 1011 HE2 MET 128 1HE MET 128 -1.974 -20.289 11.159 1012 HE3 MET 128 2HE MET 128 -2.388 -20.262 9.445 1013 H MET 129 H MET 129 -5.643 -16.981 8.232 1014 HA MET 129 HA MET 129 -6.905 -19.513 8.734 1015 HB2 MET 129 2HB MET 129 -8.071 -18.472 10.451 1016 HB3 MET 129 3HB MET 129 -6.745 -17.332 10.289 1017 HG2 MET 129 2HG MET 129 -8.151 -15.807 9.021 1018 HG3 MET 129 3HG MET 129 -9.475 -16.975 9.031 1019 HE1 MET 129 3HE MET 129 -11.149 -14.540 11.430 1020 HE2 MET 129 1HE MET 129 -11.323 -15.637 10.057 1021 HE3 MET 129 2HE MET 129 -10.319 -14.189 9.914 1022 H ALA 130 H ALA 130 -7.352 -17.021 6.390 1023 HA ALA 130 HA ALA 130 -10.120 -17.189 5.877 1024 HB1 ALA 130 3HB ALA 130 -8.707 -15.311 5.150 1025 HB2 ALA 130 1HB ALA 130 -9.602 -16.001 3.792 1026 HB3 ALA 130 2HB ALA 130 -7.887 -16.367 3.999 1027 H GLN 131 H GLN 131 -7.371 -18.959 4.446 1028 HA GLN 131 HA GLN 131 -9.117 -20.583 2.767 1029 HB2 GLN 131 2HB GLN 131 -6.988 -21.886 2.286 1030 HB3 GLN 131 3HB GLN 131 -6.958 -20.190 1.830 1031 HG2 GLN 131 2HG GLN 131 -5.621 -19.634 3.779 1032 HG3 GLN 131 3HG GLN 131 -5.734 -21.293 4.361 1033 HE21 GLN 131 1HE2 GLN 131 -3.343 -19.881 3.867 1034 HE22 GLN 131 2HE2 GLN 131 -2.482 -20.739 2.640 1035 H TYR 132 H TYR 132 -7.877 -20.712 6.011 1036 HA TYR 132 HA TYR 132 -8.638 -23.562 6.335 1037 HB2 TYR 132 2HB TYR 132 -7.204 -21.792 8.362 1038 HB3 TYR 132 3HB TYR 132 -7.353 -23.543 8.401 1039 HD1 TYR 132 HD1 TYR 132 -6.573 -23.859 5.327 1040 HD2 TYR 132 HD2 TYR 132 -4.793 -21.813 8.637 1041 HE1 TYR 132 HE1 TYR 132 -4.376 -23.990 4.234 1042 HE2 TYR 132 HE2 TYR 132 -2.601 -21.961 7.557 1043 HH TYR 132 HH TYR 132 -1.455 -23.325 5.902 1044 H ASN 133 H ASN 133 -10.684 -21.511 6.005 1045 HA ASN 133 HA ASN 133 -11.867 -20.928 8.570 1046 HB2 ASN 133 2HB ASN 133 -13.017 -20.781 5.755 1047 HB3 ASN 133 3HB ASN 133 -13.959 -20.377 7.174 1048 HD21 ASN 133 1HD2 ASN 133 -11.631 -19.041 8.484 1049 HD22 ASN 133 2HD2 ASN 133 -11.445 -17.551 7.633 Start of MODEL 10 1 H1 MET 1 1H MET 1 21.843 7.096 -10.606 2 H2 MET 1 2H MET 1 22.795 8.412 -10.155 3 H3 MET 1 3H MET 1 21.141 8.425 -9.830 4 HA MET 1 HA MET 1 21.399 6.560 -8.339 5 HB2 MET 1 2HB MET 1 24.351 6.940 -8.986 6 HB3 MET 1 3HB MET 1 23.781 6.019 -7.598 7 HG2 MET 1 2HG MET 1 24.371 4.536 -9.446 8 HG3 MET 1 3HG MET 1 22.646 4.437 -9.089 9 HE1 MET 1 3HE MET 1 22.678 3.842 -12.955 10 HE2 MET 1 1HE MET 1 22.152 3.228 -11.386 11 HE3 MET 1 2HE MET 1 23.870 3.264 -11.792 12 H GLY 2 H GLY 2 23.484 9.450 -8.649 13 HA2 GLY 2 2HA GLY 2 23.400 10.012 -5.780 14 HA3 GLY 2 3HA GLY 2 24.292 10.898 -7.003 15 H HIS 3 H HIS 3 20.900 10.195 -6.129 16 HA HIS 3 HA HIS 3 19.990 12.825 -7.050 17 HB2 HIS 3 2HB HIS 3 18.449 10.558 -5.708 18 HB3 HIS 3 3HB HIS 3 17.723 12.031 -6.334 19 HD1 HIS 3 HD1 HIS 3 17.229 12.140 -8.808 20 HD2 HIS 3 HD2 HIS 3 19.357 8.744 -7.737 21 HE1 HIS 3 HE1 HIS 3 17.150 10.639 -10.810 22 HE2 HIS 3 HE2 HIS 3 18.217 8.503 -10.035 23 H HIS 4 H HIS 4 21.117 11.385 -4.147 24 HA HIS 4 HA HIS 4 19.584 12.886 -2.244 25 HB2 HIS 4 2HB HIS 4 20.580 10.597 -1.836 26 HB3 HIS 4 3HB HIS 4 22.175 11.341 -1.783 27 HD1 HIS 4 HD1 HIS 4 22.935 11.981 0.513 28 HD2 HIS 4 HD2 HIS 4 18.790 11.759 0.254 29 HE1 HIS 4 HE1 HIS 4 22.080 12.400 2.832 30 HE2 HIS 4 HE2 HIS 4 19.579 12.251 2.651 31 H HIS 5 H HIS 5 22.400 13.573 -4.086 32 HA HIS 5 HA HIS 5 23.857 15.330 -2.447 33 HB2 HIS 5 2HB HIS 5 24.821 14.485 -4.518 34 HB3 HIS 5 3HB HIS 5 23.542 15.220 -5.476 35 HD1 HIS 5 HD1 HIS 5 23.798 17.667 -6.117 36 HD2 HIS 5 HD2 HIS 5 26.802 16.353 -3.570 37 HE1 HIS 5 HE1 HIS 5 25.517 19.494 -6.103 38 HE2 HIS 5 HE2 HIS 5 27.199 18.763 -4.385 39 H HIS 6 H HIS 6 23.167 17.184 -1.538 40 HA HIS 6 HA HIS 6 21.010 18.757 -2.778 41 HB2 HIS 6 2HB HIS 6 20.702 19.845 -0.609 42 HB3 HIS 6 3HB HIS 6 20.650 18.102 -0.414 43 HD1 HIS 6 HD1 HIS 6 22.375 21.119 0.790 44 HD2 HIS 6 HD2 HIS 6 23.020 17.026 0.900 45 HE1 HIS 6 HE1 HIS 6 24.068 20.753 2.597 46 HE2 HIS 6 HE2 HIS 6 24.593 18.294 2.487 47 H HIS 7 H HIS 7 21.839 20.138 -4.224 48 HA HIS 7 HA HIS 7 24.085 21.890 -3.724 49 HB2 HIS 7 2HB HIS 7 23.455 21.437 -6.057 50 HB3 HIS 7 3HB HIS 7 21.819 22.032 -5.778 51 HD1 HIS 7 HD1 HIS 7 25.404 23.296 -6.017 52 HD2 HIS 7 HD2 HIS 7 21.517 24.761 -6.174 53 HE1 HIS 7 HE1 HIS 7 25.608 25.702 -6.705 54 HE2 HIS 7 HE2 HIS 7 23.263 26.597 -6.612 55 H HIS 8 H HIS 8 23.886 24.184 -3.269 56 HA HIS 8 HA HIS 8 22.489 24.868 -1.033 57 HB2 HIS 8 2HB HIS 8 24.380 26.185 -1.833 58 HB3 HIS 8 3HB HIS 8 23.465 26.728 -3.236 59 HD1 HIS 8 HD1 HIS 8 23.308 27.025 0.564 60 HD2 HIS 8 HD2 HIS 8 22.188 29.120 -2.845 61 HE1 HIS 8 HE1 HIS 8 22.411 29.219 1.375 62 HE2 HIS 8 HE2 HIS 8 21.914 30.529 -0.709 63 H SER 9 H SER 9 20.417 24.889 -0.656 64 HA SER 9 HA SER 9 18.419 25.885 -2.608 65 HB2 SER 9 2HB SER 9 18.266 23.435 -2.109 66 HB3 SER 9 3HB SER 9 18.110 23.792 -0.391 67 HG SER 9 HG SER 9 16.065 24.280 -0.687 68 H HIS 10 H HIS 10 16.319 26.488 -1.263 69 HA HIS 10 HA HIS 10 16.992 28.471 0.772 70 HB2 HIS 10 2HB HIS 10 14.338 27.635 -0.478 71 HB3 HIS 10 3HB HIS 10 14.504 28.929 0.705 72 HD1 HIS 10 HD1 HIS 10 13.732 28.920 -2.533 73 HD2 HIS 10 HD2 HIS 10 17.045 30.532 -0.611 74 HE1 HIS 10 HE1 HIS 10 14.543 30.771 -4.017 75 HE2 HIS 10 HE2 HIS 10 16.600 31.655 -2.889 76 H MET 11 H MET 11 14.922 28.398 2.520 77 HA MET 11 HA MET 11 15.631 26.582 4.500 78 HB2 MET 11 2HB MET 11 13.027 28.101 4.108 79 HB3 MET 11 3HB MET 11 13.418 27.221 5.578 80 HG2 MET 11 2HG MET 11 15.313 28.701 5.997 81 HG3 MET 11 3HG MET 11 15.025 29.543 4.477 82 HE1 MET 11 3HE MET 11 13.508 28.718 8.046 83 HE2 MET 11 1HE MET 11 12.188 28.284 6.956 84 HE3 MET 11 2HE MET 11 12.038 29.692 8.009 85 H ASN 12 H ASN 12 13.227 26.231 1.944 86 HA ASN 12 HA ASN 12 12.154 23.740 2.908 87 HB2 ASN 12 2HB ASN 12 11.009 23.620 0.693 88 HB3 ASN 12 3HB ASN 12 10.726 25.136 1.528 89 HD21 ASN 12 1HD2 ASN 12 12.016 23.653 -1.294 90 HD22 ASN 12 2HD2 ASN 12 12.470 25.097 -2.121 91 HA PRO 13 HA PRO 13 15.850 21.489 1.435 92 HB2 PRO 13 2HB PRO 13 14.522 19.078 2.574 93 HB3 PRO 13 3HB PRO 13 16.049 19.844 3.056 94 HG2 PRO 13 2HG PRO 13 13.870 19.947 4.633 95 HG3 PRO 13 3HG PRO 13 15.027 21.296 4.538 96 HD2 PRO 13 2HD PRO 13 12.353 21.017 3.156 97 HD3 PRO 13 3HD PRO 13 13.034 22.420 4.015 98 H ASP 14 H ASP 14 12.521 20.383 1.001 99 HA ASP 14 HA ASP 14 12.933 19.564 -1.737 100 HB2 ASP 14 2HB ASP 14 13.776 17.541 -0.695 101 HB3 ASP 14 3HB ASP 14 12.459 17.510 0.469 102 H LEU 15 H LEU 15 11.150 20.319 -2.708 103 HA LEU 15 HA LEU 15 8.857 21.257 -1.339 104 HB2 LEU 15 2HB LEU 15 9.180 20.723 -4.319 105 HB3 LEU 15 3HB LEU 15 7.873 21.635 -3.587 106 HG LEU 15 HG LEU 15 9.836 23.187 -2.681 107 HD11 LEU 15 1HD1 LEU 15 11.716 21.846 -3.377 108 HD12 LEU 15 2HD1 LEU 15 11.742 23.395 -4.214 109 HD13 LEU 15 3HD1 LEU 15 11.210 21.939 -5.064 110 HD21 LEU 15 3HD2 LEU 15 9.636 24.644 -4.647 111 HD22 LEU 15 1HD2 LEU 15 8.074 23.965 -4.189 112 HD23 LEU 15 2HD2 LEU 15 8.946 23.310 -5.579 113 H ALA 16 H ALA 16 9.647 18.233 -2.847 114 HA ALA 16 HA ALA 16 7.070 17.120 -3.135 115 HB1 ALA 16 3HB ALA 16 9.743 15.737 -2.795 116 HB2 ALA 16 1HB ALA 16 9.022 16.255 -4.321 117 HB3 ALA 16 2HB ALA 16 8.256 14.986 -3.370 118 H LEU 17 H LEU 17 9.185 17.467 -0.316 119 HA LEU 17 HA LEU 17 7.708 15.535 1.268 120 HB2 LEU 17 2HB LEU 17 9.321 15.786 2.877 121 HB3 LEU 17 3HB LEU 17 10.221 16.408 1.515 122 HG LEU 17 HG LEU 17 9.309 18.779 2.416 123 HD11 LEU 17 1HD1 LEU 17 9.156 18.898 4.853 124 HD12 LEU 17 2HD1 LEU 17 9.328 17.143 4.970 125 HD13 LEU 17 3HD1 LEU 17 7.902 17.839 4.203 126 HD21 LEU 17 3HD2 LEU 17 11.388 19.071 3.686 127 HD22 LEU 17 1HD2 LEU 17 11.683 18.190 2.187 128 HD23 LEU 17 2HD2 LEU 17 11.629 17.322 3.725 129 H MET 18 H MET 18 7.267 18.806 0.315 130 HA MET 18 HA MET 18 5.716 19.686 2.613 131 HB2 MET 18 2HB MET 18 5.909 20.934 -0.173 132 HB3 MET 18 3HB MET 18 5.314 21.718 1.290 133 HG2 MET 18 2HG MET 18 8.160 20.832 0.762 134 HG3 MET 18 3HG MET 18 7.554 22.493 0.776 135 HE1 MET 18 3HE MET 18 9.837 22.143 4.006 136 HE2 MET 18 1HE MET 18 9.671 22.934 2.439 137 HE3 MET 18 2HE MET 18 10.070 21.216 2.525 138 H VAL 19 H VAL 19 5.116 18.390 -0.595 139 HA VAL 19 HA VAL 19 2.280 18.961 -0.604 140 HB VAL 19 HB VAL 19 3.680 19.072 -2.667 141 HG11 VAL 19 1HG1 VAL 19 5.176 17.191 -2.293 142 HG12 VAL 19 2HG1 VAL 19 4.321 16.960 -3.817 143 HG13 VAL 19 3HG1 VAL 19 3.831 16.051 -2.391 144 HG21 VAL 19 3HG2 VAL 19 1.406 17.063 -2.844 145 HG22 VAL 19 1HG2 VAL 19 2.070 17.991 -4.193 146 HG23 VAL 19 2HG2 VAL 19 1.238 18.819 -2.875 147 H LYS 20 H LYS 20 4.309 16.179 0.174 148 HA LYS 20 HA LYS 20 2.256 14.202 -0.027 149 HB2 LYS 20 2HB LYS 20 3.764 12.689 1.094 150 HB3 LYS 20 3HB LYS 20 4.668 13.637 -0.076 151 HG2 LYS 20 2HG LYS 20 5.607 15.017 1.722 152 HG3 LYS 20 3HG LYS 20 4.661 14.134 2.923 153 HD2 LYS 20 2HD LYS 20 6.935 13.260 2.943 154 HD3 LYS 20 3HD LYS 20 5.873 12.027 2.257 155 HE2 LYS 20 2HE LYS 20 6.594 12.820 -0.042 156 HE3 LYS 20 3HE LYS 20 7.767 13.867 0.760 157 HZ1 LYS 20 3HZ LYS 20 8.843 11.945 1.678 158 HZ2 LYS 20 1HZ LYS 20 8.721 11.771 0.001 159 HZ3 LYS 20 2HZ LYS 20 7.680 10.911 1.015 160 H ASN 21 H ASN 21 3.195 16.488 2.427 161 HA ASN 21 HA ASN 21 1.929 15.398 4.705 162 HB2 ASN 21 2HB ASN 21 2.513 18.311 4.001 163 HB3 ASN 21 3HB ASN 21 2.042 17.753 5.604 164 HD21 ASN 21 1HD2 ASN 21 4.510 19.111 4.664 165 HD22 ASN 21 2HD2 ASN 21 5.811 18.074 5.129 166 H LYS 22 H LYS 22 0.785 17.935 2.425 167 HA LYS 22 HA LYS 22 -1.831 18.171 3.495 168 HB2 LYS 22 2HB LYS 22 -2.355 19.435 1.412 169 HB3 LYS 22 3HB LYS 22 -0.882 19.981 2.205 170 HG2 LYS 22 2HG LYS 22 0.358 18.447 0.526 171 HG3 LYS 22 3HG LYS 22 -1.164 18.408 -0.365 172 HD2 LYS 22 2HD LYS 22 0.334 20.938 0.384 173 HD3 LYS 22 3HD LYS 22 0.493 20.119 -1.166 174 HE2 LYS 22 2HE LYS 22 -2.179 21.142 -0.140 175 HE3 LYS 22 3HE LYS 22 -1.083 22.131 -1.106 176 HZ1 LYS 22 3HZ LYS 22 -2.783 21.031 -2.440 177 HZ2 LYS 22 1HZ LYS 22 -2.196 19.519 -1.971 178 HZ3 LYS 22 2HZ LYS 22 -1.230 20.552 -2.892 179 H GLY 23 H GLY 23 -0.481 16.078 1.007 180 HA2 GLY 23 2HA GLY 23 -2.768 14.811 0.024 181 HA3 GLY 23 3HA GLY 23 -1.205 14.038 0.229 182 H ASN 24 H ASN 24 -0.880 14.020 2.975 183 HA ASN 24 HA ASN 24 -2.650 11.946 3.875 184 HB2 ASN 24 2HB ASN 24 -0.394 13.433 5.280 185 HB3 ASN 24 3HB ASN 24 -1.378 12.229 6.111 186 HD21 ASN 24 1HD2 ASN 24 1.215 12.720 3.881 187 HD22 ASN 24 2HD2 ASN 24 1.585 11.052 3.632 188 H GLU 25 H GLU 25 -2.557 15.430 4.248 189 HA GLU 25 HA GLU 25 -4.275 15.719 6.463 190 HB2 GLU 25 2HB GLU 25 -3.803 17.913 6.124 191 HB3 GLU 25 3HB GLU 25 -3.077 17.538 4.571 192 HG2 GLU 25 2HG GLU 25 -5.334 17.780 3.512 193 HG3 GLU 25 3HG GLU 25 -5.986 18.234 5.087 194 H CYS 26 H CYS 26 -4.920 15.358 2.951 195 HA CYS 26 HA CYS 26 -7.677 15.617 2.868 196 HB2 CYS 26 2HB CYS 26 -6.012 13.554 1.376 197 HB3 CYS 26 3HB CYS 26 -7.661 14.029 0.956 198 HG CYS 26 HG CYS 26 -6.397 16.843 1.028 199 H PHE 27 H PHE 27 -5.939 12.557 3.635 200 HA PHE 27 HA PHE 27 -8.142 10.948 4.268 201 HB2 PHE 27 2HB PHE 27 -5.298 10.867 5.354 202 HB3 PHE 27 3HB PHE 27 -6.500 9.630 5.712 203 HD1 PHE 27 HD2 PHE 27 -7.805 8.880 3.368 204 HD2 PHE 27 HD1 PHE 27 -3.735 10.167 3.740 205 HE1 PHE 27 HE2 PHE 27 -7.216 7.635 1.335 206 HE2 PHE 27 HE1 PHE 27 -3.164 8.906 1.713 207 HZ PHE 27 HZ PHE 27 -4.894 7.640 0.510 208 H GLN 28 H GLN 28 -6.288 13.163 6.302 209 HA GLN 28 HA GLN 28 -7.498 12.674 8.803 210 HB2 GLN 28 2HB GLN 28 -5.348 13.887 8.531 211 HB3 GLN 28 3HB GLN 28 -6.179 15.200 7.711 212 HG2 GLN 28 2HG GLN 28 -5.683 15.885 9.970 213 HG3 GLN 28 3HG GLN 28 -7.430 15.690 9.810 214 HE21 GLN 28 1HE2 GLN 28 -8.431 13.926 10.881 215 HE22 GLN 28 2HE2 GLN 28 -7.645 13.062 12.154 216 H LYS 29 H LYS 29 -8.590 14.514 5.980 217 HA LYS 29 HA LYS 29 -10.667 15.980 7.427 218 HB2 LYS 29 2HB LYS 29 -10.532 15.613 4.409 219 HB3 LYS 29 3HB LYS 29 -11.301 16.914 5.308 220 HG2 LYS 29 2HG LYS 29 -8.322 16.462 4.992 221 HG3 LYS 29 3HG LYS 29 -9.277 17.678 4.158 222 HD2 LYS 29 2HD LYS 29 -8.828 17.566 7.168 223 HD3 LYS 29 3HD LYS 29 -7.934 18.602 6.047 224 HE2 LYS 29 2HE LYS 29 -10.131 19.653 5.396 225 HE3 LYS 29 3HE LYS 29 -10.900 18.703 6.672 226 HZ1 LYS 29 3HZ LYS 29 -9.477 19.793 8.279 227 HZ2 LYS 29 1HZ LYS 29 -10.393 20.924 7.419 228 HZ3 LYS 29 2HZ LYS 29 -8.756 20.711 7.058 229 H GLY 30 H GLY 30 -10.248 12.862 6.051 230 HA2 GLY 30 2HA GLY 30 -11.817 11.077 6.223 231 HA3 GLY 30 3HA GLY 30 -13.144 12.228 6.115 232 H ASP 31 H ASP 31 -10.911 13.201 3.899 233 HA ASP 31 HA ASP 31 -12.450 12.195 1.650 234 HB2 ASP 31 2HB ASP 31 -10.172 14.217 1.885 235 HB3 ASP 31 3HB ASP 31 -10.850 13.730 0.340 236 H TYR 32 H TYR 32 -11.964 10.135 1.115 237 HA TYR 32 HA TYR 32 -9.189 9.262 0.767 238 HB2 TYR 32 2HB TYR 32 -11.835 7.790 0.741 239 HB3 TYR 32 3HB TYR 32 -10.400 7.039 0.057 240 HD1 TYR 32 HD1 TYR 32 -11.327 8.886 3.225 241 HD2 TYR 32 HD2 TYR 32 -9.256 5.580 1.471 242 HE1 TYR 32 HE1 TYR 32 -10.649 8.127 5.458 243 HE2 TYR 32 HE2 TYR 32 -8.572 4.824 3.704 244 HH TYR 32 HH TYR 32 -8.258 5.786 5.973 245 HA PRO 33 HA PRO 33 -10.757 8.983 -3.868 246 HB2 PRO 33 2HB PRO 33 -12.931 10.546 -4.601 247 HB3 PRO 33 3HB PRO 33 -13.046 8.834 -4.152 248 HG2 PRO 33 2HG PRO 33 -13.590 11.252 -2.473 249 HG3 PRO 33 3HG PRO 33 -14.511 9.735 -2.595 250 HD2 PRO 33 2HD PRO 33 -12.837 10.193 -0.532 251 HD3 PRO 33 3HD PRO 33 -13.047 8.564 -1.210 252 H GLN 34 H GLN 34 -11.545 12.153 -2.371 253 HA GLN 34 HA GLN 34 -10.300 13.814 -4.265 254 HB2 GLN 34 2HB GLN 34 -10.892 14.204 -1.320 255 HB3 GLN 34 3HB GLN 34 -10.089 15.458 -2.248 256 HG2 GLN 34 2HG GLN 34 -12.801 14.312 -2.972 257 HG3 GLN 34 3HG GLN 34 -12.574 15.749 -1.977 258 HE21 GLN 34 1HE2 GLN 34 -12.249 14.429 -5.199 259 HE22 GLN 34 2HE2 GLN 34 -12.060 15.936 -6.013 260 H ALA 35 H ALA 35 -8.976 11.988 -1.552 261 HA ALA 35 HA ALA 35 -6.405 13.112 -1.407 262 HB1 ALA 35 3HB ALA 35 -7.230 10.249 -0.808 263 HB2 ALA 35 1HB ALA 35 -7.292 11.600 0.328 264 HB3 ALA 35 2HB ALA 35 -5.737 11.029 -0.280 265 H MET 36 H MET 36 -7.818 10.751 -3.671 266 HA MET 36 HA MET 36 -5.345 9.642 -4.625 267 HB2 MET 36 2HB MET 36 -8.009 9.789 -6.107 268 HB3 MET 36 3HB MET 36 -6.689 8.672 -6.435 269 HG2 MET 36 2HG MET 36 -7.061 7.625 -4.219 270 HG3 MET 36 3HG MET 36 -8.418 8.722 -3.949 271 HE1 MET 36 3HE MET 36 -9.545 8.777 -7.065 272 HE2 MET 36 1HE MET 36 -10.652 8.687 -5.698 273 HE3 MET 36 2HE MET 36 -10.767 7.510 -7.001 274 H LYS 37 H LYS 37 -7.375 12.331 -5.562 275 HA LYS 37 HA LYS 37 -5.929 13.068 -7.962 276 HB2 LYS 37 2HB LYS 37 -8.079 14.575 -6.409 277 HB3 LYS 37 3HB LYS 37 -7.556 14.921 -8.060 278 HG2 LYS 37 2HG LYS 37 -8.424 12.775 -8.831 279 HG3 LYS 37 3HG LYS 37 -8.830 12.313 -7.176 280 HD2 LYS 37 2HD LYS 37 -10.508 14.094 -7.055 281 HD3 LYS 37 3HD LYS 37 -10.072 14.653 -8.674 282 HE2 LYS 37 2HE LYS 37 -12.153 13.246 -8.600 283 HE3 LYS 37 3HE LYS 37 -10.902 12.605 -9.669 284 HZ1 LYS 37 3HZ LYS 37 -11.473 11.675 -6.907 285 HZ2 LYS 37 1HZ LYS 37 -10.271 11.053 -7.925 286 HZ3 LYS 37 2HZ LYS 37 -11.899 10.874 -8.332 287 H HIS 38 H HIS 38 -6.066 13.994 -4.608 288 HA HIS 38 HA HIS 38 -4.502 16.408 -4.822 289 HB2 HIS 38 2HB HIS 38 -6.329 15.745 -3.045 290 HB3 HIS 38 3HB HIS 38 -5.016 14.903 -2.235 291 HD1 HIS 38 HD1 HIS 38 -3.726 16.297 -0.630 292 HD2 HIS 38 HD2 HIS 38 -5.790 18.610 -3.384 293 HE1 HIS 38 HE1 HIS 38 -3.476 18.659 0.146 294 HE2 HIS 38 HE2 HIS 38 -4.948 19.991 -1.382 295 H TYR 39 H TYR 39 -3.832 13.032 -4.440 296 HA TYR 39 HA TYR 39 -1.030 13.425 -3.777 297 HB2 TYR 39 2HB TYR 39 -2.771 11.003 -4.191 298 HB3 TYR 39 3HB TYR 39 -1.039 10.813 -4.433 299 HD1 TYR 39 HD2 TYR 39 0.451 11.915 -2.461 300 HD2 TYR 39 HD1 TYR 39 -3.572 10.554 -2.013 301 HE1 TYR 39 HE2 TYR 39 0.798 11.674 -0.046 302 HE2 TYR 39 HE1 TYR 39 -3.219 10.325 0.387 303 HH TYR 39 HH TYR 39 -0.563 11.651 2.002 304 H THR 40 H THR 40 -2.930 13.367 -6.686 305 HA THR 40 HA THR 40 -1.038 12.287 -8.494 306 HB THR 40 HB THR 40 -3.126 14.435 -9.083 307 HG1 THR 40 HG1 THR 40 -3.543 12.047 -8.178 308 HG21 THR 40 3HG2 THR 40 -3.082 13.532 -11.393 309 HG22 THR 40 1HG2 THR 40 -1.790 12.417 -10.938 310 HG23 THR 40 2HG2 THR 40 -1.497 14.158 -10.933 311 H GLU 41 H GLU 41 -1.514 15.586 -7.267 312 HA GLU 41 HA GLU 41 0.534 16.907 -8.712 313 HB2 GLU 41 2HB GLU 41 0.330 18.677 -6.987 314 HB3 GLU 41 3HB GLU 41 -1.251 18.151 -7.561 315 HG2 GLU 41 2HG GLU 41 -1.582 16.805 -5.567 316 HG3 GLU 41 3HG GLU 41 0.042 17.176 -5.004 317 H ALA 42 H ALA 42 0.541 14.974 -5.767 318 HA ALA 42 HA ALA 42 3.180 15.636 -4.879 319 HB1 ALA 42 3HB ALA 42 1.438 13.251 -4.145 320 HB2 ALA 42 1HB ALA 42 1.473 14.811 -3.315 321 HB3 ALA 42 2HB ALA 42 2.897 13.771 -3.295 322 H ILE 43 H ILE 43 1.804 13.149 -6.963 323 HA ILE 43 HA ILE 43 4.116 11.532 -7.301 324 HB ILE 43 HB ILE 43 1.460 11.827 -8.694 325 HG12 ILE 43 2HG1 ILE 43 1.343 9.356 -8.358 326 HG13 ILE 43 3HG1 ILE 43 2.992 9.361 -7.759 327 HG21 ILE 43 1HG2 ILE 43 2.891 11.817 -10.668 328 HG22 ILE 43 2HG2 ILE 43 2.034 10.279 -10.544 329 HG23 ILE 43 3HG2 ILE 43 3.735 10.381 -10.081 330 HD11 ILE 43 3HD1 ILE 43 0.602 10.625 -6.443 331 HD12 ILE 43 1HD1 ILE 43 2.256 10.693 -5.825 332 HD13 ILE 43 2HD1 ILE 43 1.424 9.142 -5.955 333 H LYS 44 H LYS 44 2.983 14.497 -8.832 334 HA LYS 44 HA LYS 44 4.864 14.674 -10.957 335 HB2 LYS 44 2HB LYS 44 3.538 16.978 -9.464 336 HB3 LYS 44 3HB LYS 44 4.259 17.056 -11.070 337 HG2 LYS 44 2HG LYS 44 1.779 15.507 -10.276 338 HG3 LYS 44 3HG LYS 44 1.823 17.006 -11.207 339 HD2 LYS 44 2HD LYS 44 3.024 15.824 -13.034 340 HD3 LYS 44 3HD LYS 44 2.975 14.326 -12.097 341 HE2 LYS 44 2HE LYS 44 1.207 14.363 -13.813 342 HE3 LYS 44 3HE LYS 44 0.511 14.340 -12.192 343 HZ1 LYS 44 3HZ LYS 44 0.110 16.702 -12.357 344 HZ2 LYS 44 1HZ LYS 44 -0.606 15.911 -13.664 345 HZ3 LYS 44 2HZ LYS 44 0.834 16.768 -13.879 346 H ARG 45 H ARG 45 5.034 15.383 -7.557 347 HA ARG 45 HA ARG 45 7.459 16.980 -7.679 348 HB2 ARG 45 2HB ARG 45 5.799 15.924 -5.355 349 HB3 ARG 45 3HB ARG 45 7.203 16.965 -5.176 350 HG2 ARG 45 2HG ARG 45 4.732 17.775 -6.726 351 HG3 ARG 45 3HG ARG 45 4.960 18.111 -5.013 352 HD2 ARG 45 2HD ARG 45 7.109 19.320 -5.653 353 HD3 ARG 45 3HD ARG 45 6.581 19.172 -7.335 354 HE ARG 45 HE ARG 45 4.502 20.282 -5.784 355 HH11 ARG 45 1HH1 ARG 45 7.647 21.232 -7.075 356 HH12 ARG 45 2HH1 ARG 45 7.236 22.918 -7.118 357 HH21 ARG 45 1HH2 ARG 45 4.011 22.468 -5.806 358 HH22 ARG 45 2HH2 ARG 45 5.168 23.621 -6.394 359 H ASN 46 H ASN 46 6.568 13.934 -5.994 360 HA ASN 46 HA ASN 46 9.327 12.928 -6.352 361 HB2 ASN 46 2HB ASN 46 8.916 11.548 -4.221 362 HB3 ASN 46 3HB ASN 46 9.179 13.269 -4.023 363 HD21 ASN 46 1HD2 ASN 46 6.015 11.984 -5.004 364 HD22 ASN 46 2HD2 ASN 46 5.237 12.355 -3.521 365 HA PRO 47 HA PRO 47 6.963 9.537 -8.382 366 HB2 PRO 47 2HB PRO 47 8.408 9.441 -10.691 367 HB3 PRO 47 3HB PRO 47 7.055 10.577 -10.491 368 HG2 PRO 47 2HG PRO 47 10.005 11.106 -10.227 369 HG3 PRO 47 3HG PRO 47 8.752 12.070 -11.045 370 HD2 PRO 47 2HD PRO 47 9.661 12.645 -8.512 371 HD3 PRO 47 3HD PRO 47 8.029 13.058 -9.080 372 H LYS 48 H LYS 48 9.890 10.233 -6.963 373 HA LYS 48 HA LYS 48 11.246 7.705 -7.501 374 HB2 LYS 48 2HB LYS 48 12.117 9.764 -5.432 375 HB3 LYS 48 3HB LYS 48 13.097 8.538 -6.217 376 HG2 LYS 48 2HG LYS 48 13.848 10.439 -7.287 377 HG3 LYS 48 3HG LYS 48 12.577 9.940 -8.407 378 HD2 LYS 48 2HD LYS 48 11.039 11.594 -7.497 379 HD3 LYS 48 3HD LYS 48 12.146 11.970 -6.178 380 HE2 LYS 48 2HE LYS 48 13.765 12.876 -7.815 381 HE3 LYS 48 3HE LYS 48 12.632 12.514 -9.117 382 HZ1 LYS 48 3HZ LYS 48 12.123 14.379 -6.870 383 HZ2 LYS 48 1HZ LYS 48 11.073 14.078 -8.158 384 HZ3 LYS 48 2HZ LYS 48 12.558 14.839 -8.434 385 H ASP 49 H ASP 49 8.969 8.991 -5.316 386 HA ASP 49 HA ASP 49 9.864 7.494 -2.968 387 HB2 ASP 49 2HB ASP 49 9.129 9.974 -2.947 388 HB3 ASP 49 3HB ASP 49 7.486 9.396 -3.179 389 H ALA 50 H ALA 50 9.054 5.508 -2.584 390 HA ALA 50 HA ALA 50 7.169 4.320 -4.393 391 HB1 ALA 50 3HB ALA 50 9.160 3.120 -3.620 392 HB2 ALA 50 1HB ALA 50 7.690 2.232 -3.216 393 HB3 ALA 50 2HB ALA 50 8.547 3.136 -1.965 394 H LYS 51 H LYS 51 7.139 5.017 -0.881 395 HA LYS 51 HA LYS 51 4.671 3.712 -0.320 396 HB2 LYS 51 2HB LYS 51 4.790 4.893 1.854 397 HB3 LYS 51 3HB LYS 51 6.317 4.121 1.440 398 HG2 LYS 51 2HG LYS 51 7.448 6.108 1.217 399 HG3 LYS 51 3HG LYS 51 6.054 6.961 0.565 400 HD2 LYS 51 2HD LYS 51 6.512 7.964 2.625 401 HD3 LYS 51 3HD LYS 51 5.088 6.957 2.889 402 HE2 LYS 51 2HE LYS 51 6.615 6.737 4.767 403 HE3 LYS 51 3HE LYS 51 6.587 5.206 3.895 404 HZ1 LYS 51 3HZ LYS 51 8.847 5.892 4.500 405 HZ2 LYS 51 1HZ LYS 51 8.676 7.313 3.598 406 HZ3 LYS 51 2HZ LYS 51 8.658 5.811 2.825 407 H LEU 52 H LEU 52 5.507 7.020 -1.246 408 HA LEU 52 HA LEU 52 3.097 8.357 -0.921 409 HB2 LEU 52 2HB LEU 52 5.547 8.742 -2.471 410 HB3 LEU 52 3HB LEU 52 4.174 9.322 -3.388 411 HG LEU 52 HG LEU 52 5.354 11.060 -1.964 412 HD11 LEU 52 1HD1 LEU 52 2.403 10.658 -1.388 413 HD12 LEU 52 2HD1 LEU 52 3.092 11.446 -2.811 414 HD13 LEU 52 3HD1 LEU 52 3.308 12.164 -1.220 415 HD21 LEU 52 3HD2 LEU 52 4.065 9.595 0.373 416 HD22 LEU 52 1HD2 LEU 52 4.931 11.129 0.445 417 HD23 LEU 52 2HD2 LEU 52 5.795 9.655 0.027 418 H TYR 53 H TYR 53 3.963 6.055 -3.399 419 HA TYR 53 HA TYR 53 1.491 6.352 -4.892 420 HB2 TYR 53 2HB TYR 53 3.740 4.307 -5.015 421 HB3 TYR 53 3HB TYR 53 2.273 4.143 -5.977 422 HD1 TYR 53 HD2 TYR 53 5.154 6.453 -5.331 423 HD2 TYR 53 HD1 TYR 53 2.077 5.281 -8.049 424 HE1 TYR 53 HE2 TYR 53 6.122 7.922 -7.036 425 HE2 TYR 53 HE1 TYR 53 3.036 6.758 -9.756 426 HH TYR 53 HH TYR 53 6.097 8.151 -9.494 427 H SER 54 H SER 54 2.928 3.763 -2.874 428 HA SER 54 HA SER 54 0.751 2.023 -2.892 429 HB2 SER 54 2HB SER 54 3.056 1.352 -2.345 430 HB3 SER 54 3HB SER 54 2.971 2.251 -0.829 431 HG SER 54 HG SER 54 0.919 0.456 -1.210 432 H ASN 55 H ASN 55 1.139 4.852 -0.918 433 HA ASN 55 HA ASN 55 -0.545 4.208 1.282 434 HB2 ASN 55 2HB ASN 55 1.046 6.117 1.299 435 HB3 ASN 55 3HB ASN 55 0.107 6.925 0.050 436 HD21 ASN 55 1HD2 ASN 55 -0.102 8.702 1.436 437 HD22 ASN 55 2HD2 ASN 55 -1.194 8.705 2.767 438 H ARG 56 H ARG 56 -1.125 5.318 -1.957 439 HA ARG 56 HA ARG 56 -3.908 5.942 -1.705 440 HB2 ARG 56 2HB ARG 56 -2.354 5.238 -4.233 441 HB3 ARG 56 3HB ARG 56 -3.905 6.077 -4.149 442 HG2 ARG 56 2HG ARG 56 -2.801 7.977 -3.005 443 HG3 ARG 56 3HG ARG 56 -1.250 7.140 -3.118 444 HD2 ARG 56 2HD ARG 56 -2.959 8.106 -5.435 445 HD3 ARG 56 3HD ARG 56 -1.435 8.810 -4.885 446 HE ARG 56 HE ARG 56 -0.967 6.106 -5.513 447 HH11 ARG 56 1HH1 ARG 56 -1.823 9.084 -7.210 448 HH12 ARG 56 2HH1 ARG 56 -1.083 8.592 -8.694 449 HH21 ARG 56 1HH2 ARG 56 -0.010 5.488 -7.463 450 HH22 ARG 56 2HH2 ARG 56 -0.052 6.548 -8.839 451 H ALA 57 H ALA 57 -2.039 2.993 -2.396 452 HA ALA 57 HA ALA 57 -4.169 1.323 -3.232 453 HB1 ALA 57 3HB ALA 57 -2.710 -0.568 -2.655 454 HB2 ALA 57 1HB ALA 57 -1.640 0.511 -1.753 455 HB3 ALA 57 2HB ALA 57 -1.802 0.686 -3.502 456 H ALA 58 H ALA 58 -2.936 2.175 -0.028 457 HA ALA 58 HA ALA 58 -4.625 0.570 1.567 458 HB1 ALA 58 3HB ALA 58 -4.081 2.144 3.388 459 HB2 ALA 58 1HB ALA 58 -3.432 3.292 2.211 460 HB3 ALA 58 2HB ALA 58 -2.641 1.733 2.454 461 H CYS 59 H CYS 59 -5.108 3.686 -0.008 462 HA CYS 59 HA CYS 59 -7.714 4.228 1.051 463 HB2 CYS 59 2HB CYS 59 -6.381 6.054 0.183 464 HB3 CYS 59 3HB CYS 59 -6.229 5.275 -1.385 465 HG CYS 59 HG CYS 59 -9.403 5.565 -0.917 466 H TYR 60 H TYR 60 -6.481 2.679 -1.915 467 HA TYR 60 HA TYR 60 -8.907 2.572 -3.346 468 HB2 TYR 60 2HB TYR 60 -6.334 0.981 -3.664 469 HB3 TYR 60 3HB TYR 60 -7.707 0.769 -4.745 470 HD1 TYR 60 HD1 TYR 60 -8.568 3.631 -5.097 471 HD2 TYR 60 HD2 TYR 60 -4.688 1.874 -5.109 472 HE1 TYR 60 HE1 TYR 60 -7.758 5.412 -6.575 473 HE2 TYR 60 HE2 TYR 60 -3.860 3.670 -6.564 474 HH TYR 60 HH TYR 60 -5.701 6.497 -7.214 475 H THR 61 H THR 61 -7.477 0.341 -0.996 476 HA THR 61 HA THR 61 -9.192 -1.852 -1.367 477 HB THR 61 HB THR 61 -8.758 -2.427 1.029 478 HG1 THR 61 HG1 THR 61 -7.252 -0.009 1.138 479 HG21 THR 61 3HG2 THR 61 -6.313 -2.674 0.875 480 HG22 THR 61 1HG2 THR 61 -6.269 -1.500 -0.447 481 HG23 THR 61 2HG2 THR 61 -7.074 -3.053 -0.672 482 H LYS 62 H LYS 62 -9.608 1.182 0.452 483 HA LYS 62 HA LYS 62 -12.073 0.488 1.750 484 HB2 LYS 62 2HB LYS 62 -10.779 3.211 1.257 485 HB3 LYS 62 3HB LYS 62 -12.164 2.945 2.313 486 HG2 LYS 62 2HG LYS 62 -9.383 1.790 2.705 487 HG3 LYS 62 3HG LYS 62 -10.072 3.160 3.584 488 HD2 LYS 62 2HD LYS 62 -11.843 1.650 4.495 489 HD3 LYS 62 3HD LYS 62 -11.095 0.291 3.649 490 HE2 LYS 62 2HE LYS 62 -9.016 0.678 4.975 491 HE3 LYS 62 3HE LYS 62 -9.862 1.936 5.882 492 HZ1 LYS 62 3HZ LYS 62 -11.426 0.301 6.663 493 HZ2 LYS 62 1HZ LYS 62 -9.856 -0.214 7.021 494 HZ3 LYS 62 2HZ LYS 62 -10.700 -0.909 5.731 495 H LEU 63 H LEU 63 -11.196 1.917 -1.299 496 HA LEU 63 HA LEU 63 -13.927 2.754 -1.946 497 HB2 LEU 63 2HB LEU 63 -11.375 2.945 -3.600 498 HB3 LEU 63 3HB LEU 63 -12.912 3.715 -3.974 499 HG LEU 63 HG LEU 63 -11.087 4.383 -1.629 500 HD11 LEU 63 1HD1 LEU 63 -10.228 5.216 -3.742 501 HD12 LEU 63 2HD1 LEU 63 -10.784 6.548 -2.732 502 HD13 LEU 63 3HD1 LEU 63 -11.769 6.003 -4.096 503 HD21 LEU 63 3HD2 LEU 63 -12.652 6.213 -1.108 504 HD22 LEU 63 1HD2 LEU 63 -13.407 4.632 -0.922 505 HD23 LEU 63 2HD2 LEU 63 -13.770 5.619 -2.341 506 H LEU 64 H LEU 64 -12.410 -0.164 -1.890 507 HA LEU 64 HA LEU 64 -12.584 -2.158 -2.921 508 HB2 LEU 64 2HB LEU 64 -15.155 -0.926 -3.977 509 HB3 LEU 64 3HB LEU 64 -14.714 -2.589 -4.307 510 HG LEU 64 HG LEU 64 -16.347 -2.527 -2.514 511 HD11 LEU 64 1HD1 LEU 64 -14.647 -4.280 -2.399 512 HD12 LEU 64 2HD1 LEU 64 -15.242 -3.828 -0.804 513 HD13 LEU 64 3HD1 LEU 64 -13.659 -3.264 -1.345 514 HD21 LEU 64 3HD2 LEU 64 -15.973 -0.271 -1.647 515 HD22 LEU 64 1HD2 LEU 64 -14.447 -0.781 -0.921 516 HD23 LEU 64 2HD2 LEU 64 -15.975 -1.456 -0.344 517 H GLU 65 H GLU 65 -11.266 0.135 -4.262 518 HA GLU 65 HA GLU 65 -11.267 -0.476 -7.094 519 HB2 GLU 65 2HB GLU 65 -10.797 1.881 -5.566 520 HB3 GLU 65 3HB GLU 65 -9.216 1.445 -6.163 521 HG2 GLU 65 2HG GLU 65 -10.340 3.041 -7.638 522 HG3 GLU 65 3HG GLU 65 -9.980 1.518 -8.452 523 H PHE 66 H PHE 66 -10.474 -2.694 -5.711 524 HA PHE 66 HA PHE 66 -7.785 -2.899 -4.961 525 HB2 PHE 66 2HB PHE 66 -9.791 -5.016 -5.785 526 HB3 PHE 66 3HB PHE 66 -8.167 -5.421 -5.251 527 HD1 PHE 66 HD2 PHE 66 -11.468 -4.160 -4.168 528 HD2 PHE 66 HD1 PHE 66 -7.522 -5.205 -2.917 529 HE1 PHE 66 HE2 PHE 66 -12.204 -4.207 -1.826 530 HE2 PHE 66 HE1 PHE 66 -8.273 -5.257 -0.582 531 HZ PHE 66 HZ PHE 66 -10.618 -4.754 -0.033 532 H GLN 67 H GLN 67 -9.247 -3.131 -8.172 533 HA GLN 67 HA GLN 67 -7.175 -4.358 -9.621 534 HB2 GLN 67 2HB GLN 67 -9.013 -2.085 -10.497 535 HB3 GLN 67 3HB GLN 67 -7.983 -2.999 -11.594 536 HG2 GLN 67 2HG GLN 67 -10.310 -4.090 -9.990 537 HG3 GLN 67 3HG GLN 67 -10.293 -3.753 -11.721 538 HE21 GLN 67 1HE2 GLN 67 -9.220 -5.929 -9.215 539 HE22 GLN 67 2HE2 GLN 67 -8.677 -7.192 -10.263 540 H LEU 68 H LEU 68 -7.631 -0.986 -8.590 541 HA LEU 68 HA LEU 68 -5.193 -0.062 -9.835 542 HB2 LEU 68 2HB LEU 68 -6.945 1.357 -7.789 543 HB3 LEU 68 3HB LEU 68 -5.650 2.089 -8.723 544 HG LEU 68 HG LEU 68 -8.377 1.181 -9.684 545 HD11 LEU 68 1HD1 LEU 68 -8.249 3.424 -8.739 546 HD12 LEU 68 2HD1 LEU 68 -8.608 3.478 -10.463 547 HD13 LEU 68 3HD1 LEU 68 -6.980 3.861 -9.890 548 HD21 LEU 68 3HD2 LEU 68 -6.850 0.323 -11.350 549 HD22 LEU 68 1HD2 LEU 68 -6.023 1.883 -11.467 550 HD23 LEU 68 2HD2 LEU 68 -7.700 1.723 -11.998 551 H ALA 69 H ALA 69 -6.255 -1.142 -6.639 552 HA ALA 69 HA ALA 69 -4.147 -0.201 -5.041 553 HB1 ALA 69 3HB ALA 69 -6.266 -1.098 -4.113 554 HB2 ALA 69 1HB ALA 69 -4.851 -1.857 -3.379 555 HB3 ALA 69 2HB ALA 69 -5.786 -2.723 -4.601 556 H LEU 70 H LEU 70 -4.512 -3.304 -6.781 557 HA LEU 70 HA LEU 70 -2.179 -4.611 -5.979 558 HB2 LEU 70 2HB LEU 70 -3.637 -4.732 -8.651 559 HB3 LEU 70 3HB LEU 70 -2.355 -5.844 -8.195 560 HG LEU 70 HG LEU 70 -4.998 -5.575 -6.711 561 HD11 LEU 70 1HD1 LEU 70 -5.625 -7.713 -7.745 562 HD12 LEU 70 2HD1 LEU 70 -4.142 -7.697 -8.705 563 HD13 LEU 70 3HD1 LEU 70 -5.375 -6.459 -8.959 564 HD21 LEU 70 3HD2 LEU 70 -2.775 -7.633 -6.439 565 HD22 LEU 70 1HD2 LEU 70 -4.327 -7.674 -5.594 566 HD23 LEU 70 2HD2 LEU 70 -3.184 -6.375 -5.269 567 H LYS 71 H LYS 71 -2.663 -2.753 -8.999 568 HA LYS 71 HA LYS 71 0.039 -2.933 -9.823 569 HB2 LYS 71 2HB LYS 71 -0.587 -1.393 -11.630 570 HB3 LYS 71 3HB LYS 71 -1.758 -2.688 -11.441 571 HG2 LYS 71 2HG LYS 71 -3.261 -1.114 -10.226 572 HG3 LYS 71 3HG LYS 71 -2.099 0.181 -10.504 573 HD2 LYS 71 2HD LYS 71 -3.476 -1.375 -12.736 574 HD3 LYS 71 3HD LYS 71 -4.072 0.152 -12.089 575 HE2 LYS 71 2HE LYS 71 -2.886 0.718 -14.073 576 HE3 LYS 71 3HE LYS 71 -1.825 1.169 -12.745 577 HZ1 LYS 71 3HZ LYS 71 -0.507 -0.789 -13.137 578 HZ2 LYS 71 1HZ LYS 71 -0.666 0.064 -14.585 579 HZ3 LYS 71 2HZ LYS 71 -1.574 -1.336 -14.325 580 H ASP 72 H ASP 72 -1.641 -0.606 -7.846 581 HA ASP 72 HA ASP 72 0.130 1.615 -8.151 582 HB2 ASP 72 2HB ASP 72 -2.174 1.980 -7.472 583 HB3 ASP 72 3HB ASP 72 -1.990 0.937 -6.071 584 H CYS 73 H CYS 73 -0.195 -0.943 -5.682 585 HA CYS 73 HA CYS 73 2.080 0.029 -4.165 586 HB2 CYS 73 2HB CYS 73 1.695 -1.952 -2.709 587 HB3 CYS 73 3HB CYS 73 0.242 -0.981 -2.925 588 HG CYS 73 HG CYS 73 -0.467 -2.879 -5.124 589 H GLU 74 H GLU 74 1.540 -2.559 -6.591 590 HA GLU 74 HA GLU 74 4.059 -3.855 -5.944 591 HB2 GLU 74 2HB GLU 74 3.620 -5.435 -7.690 592 HB3 GLU 74 3HB GLU 74 2.109 -5.142 -6.841 593 HG2 GLU 74 2HG GLU 74 1.383 -3.645 -8.667 594 HG3 GLU 74 3HG GLU 74 2.886 -3.971 -9.527 595 H GLU 75 H GLU 75 3.131 -1.279 -8.138 596 HA GLU 75 HA GLU 75 5.470 -1.400 -9.809 597 HB2 GLU 75 2HB GLU 75 4.851 0.808 -10.612 598 HB3 GLU 75 3HB GLU 75 3.398 -0.176 -10.480 599 HG2 GLU 75 2HG GLU 75 2.821 0.948 -8.357 600 HG3 GLU 75 3HG GLU 75 4.272 1.938 -8.481 601 H CYS 76 H CYS 76 4.798 -0.206 -6.630 602 HA CYS 76 HA CYS 76 6.791 1.700 -6.213 603 HB2 CYS 76 2HB CYS 76 5.644 -0.259 -4.196 604 HB3 CYS 76 3HB CYS 76 6.519 1.223 -3.809 605 HG CYS 76 HG CYS 76 3.895 1.741 -5.819 606 H ILE 77 H ILE 77 7.061 -1.778 -6.479 607 HA ILE 77 HA ILE 77 9.491 -2.323 -5.222 608 HB ILE 77 HB ILE 77 7.829 -3.967 -6.329 609 HG12 ILE 77 2HG1 ILE 77 10.156 -4.593 -5.347 610 HG13 ILE 77 3HG1 ILE 77 9.363 -5.765 -6.384 611 HG21 ILE 77 1HG2 ILE 77 7.761 -3.025 -8.590 612 HG22 ILE 77 2HG2 ILE 77 8.271 -4.713 -8.645 613 HG23 ILE 77 3HG2 ILE 77 9.463 -3.428 -8.837 614 HD11 ILE 77 3HD1 ILE 77 11.739 -5.648 -6.797 615 HD12 ILE 77 1HD1 ILE 77 11.617 -3.934 -7.178 616 HD13 ILE 77 2HD1 ILE 77 10.847 -5.129 -8.226 617 H GLN 78 H GLN 78 8.908 -0.593 -8.242 618 HA GLN 78 HA GLN 78 11.627 -0.823 -9.221 619 HB2 GLN 78 2HB GLN 78 9.386 0.995 -10.186 620 HB3 GLN 78 3HB GLN 78 10.899 0.676 -11.035 621 HG2 GLN 78 2HG GLN 78 8.669 -1.301 -10.478 622 HG3 GLN 78 3HG GLN 78 9.129 -0.631 -12.042 623 HE21 GLN 78 1HE2 GLN 78 8.938 -3.417 -11.279 624 HE22 GLN 78 2HE2 GLN 78 10.501 -4.113 -11.521 625 H LEU 79 H LEU 79 9.964 1.289 -7.088 626 HA LEU 79 HA LEU 79 11.959 3.447 -7.282 627 HB2 LEU 79 2HB LEU 79 9.475 3.271 -5.529 628 HB3 LEU 79 3HB LEU 79 10.419 4.710 -5.888 629 HG LEU 79 HG LEU 79 8.692 3.166 -7.863 630 HD11 LEU 79 1HD1 LEU 79 7.292 5.180 -7.916 631 HD12 LEU 79 2HD1 LEU 79 8.282 5.907 -6.645 632 HD13 LEU 79 3HD1 LEU 79 7.346 4.446 -6.315 633 HD21 LEU 79 3HD2 LEU 79 9.200 4.957 -9.477 634 HD22 LEU 79 1HD2 LEU 79 10.640 4.050 -9.019 635 HD23 LEU 79 2HD2 LEU 79 10.356 5.657 -8.341 636 H GLU 80 H GLU 80 10.555 1.226 -4.957 637 HA GLU 80 HA GLU 80 13.017 1.020 -3.411 638 HB2 GLU 80 2HB GLU 80 11.577 2.675 -2.237 639 HB3 GLU 80 3HB GLU 80 10.241 1.535 -2.237 640 HG2 GLU 80 2HG GLU 80 11.503 0.044 -0.726 641 HG3 GLU 80 3HG GLU 80 12.857 1.176 -0.740 642 HA PRO 81 HA PRO 81 11.491 -3.188 -4.697 643 HB2 PRO 81 2HB PRO 81 14.204 -3.936 -3.636 644 HB3 PRO 81 3HB PRO 81 13.459 -4.322 -5.203 645 HG2 PRO 81 2HG PRO 81 15.411 -2.510 -5.048 646 HG3 PRO 81 3HG PRO 81 14.033 -2.277 -6.145 647 HD2 PRO 81 2HD PRO 81 14.537 -1.002 -3.464 648 HD3 PRO 81 3HD PRO 81 13.906 -0.269 -4.958 649 H THR 82 H THR 82 12.719 -2.016 -1.737 650 HA THR 82 HA THR 82 12.164 -4.401 -0.151 651 HB THR 82 HB THR 82 13.533 -3.198 1.553 652 HG1 THR 82 HG1 THR 82 13.770 -1.100 1.366 653 HG21 THR 82 3HG2 THR 82 14.749 -4.568 -0.114 654 HG22 THR 82 1HG2 THR 82 15.692 -3.145 0.331 655 HG23 THR 82 2HG2 THR 82 14.825 -3.182 -1.207 656 H PHE 83 H PHE 83 10.072 -2.364 -1.231 657 HA PHE 83 HA PHE 83 9.196 -0.714 0.873 658 HB2 PHE 83 2HB PHE 83 7.228 -0.250 -0.456 659 HB3 PHE 83 3HB PHE 83 8.618 -0.333 -1.523 660 HD1 PHE 83 HD1 PHE 83 8.968 -2.590 -2.842 661 HD2 PHE 83 HD2 PHE 83 5.304 -1.517 -0.938 662 HE1 PHE 83 HE1 PHE 83 7.759 -4.196 -4.248 663 HE2 PHE 83 HE2 PHE 83 4.100 -3.123 -2.352 664 HZ PHE 83 HZ PHE 83 5.325 -4.463 -4.014 665 H ILE 84 H ILE 84 8.516 -1.383 2.782 666 HA ILE 84 HA ILE 84 7.640 -4.113 3.253 667 HB ILE 84 HB ILE 84 8.178 -1.801 5.167 668 HG12 ILE 84 2HG1 ILE 84 9.889 -4.253 4.555 669 HG13 ILE 84 3HG1 ILE 84 10.165 -2.650 3.886 670 HG21 ILE 84 1HG2 ILE 84 6.600 -3.326 6.229 671 HG22 ILE 84 2HG2 ILE 84 8.187 -3.491 6.988 672 HG23 ILE 84 3HG2 ILE 84 7.632 -4.711 5.840 673 HD11 ILE 84 3HD1 ILE 84 11.678 -3.113 5.708 674 HD12 ILE 84 1HD1 ILE 84 10.323 -3.392 6.802 675 HD13 ILE 84 2HD1 ILE 84 10.597 -1.785 6.126 676 H LYS 85 H LYS 85 6.323 -0.828 3.625 677 HA LYS 85 HA LYS 85 3.948 -1.586 5.006 678 HB2 LYS 85 2HB LYS 85 4.385 0.989 3.448 679 HB3 LYS 85 3HB LYS 85 3.245 0.731 4.766 680 HG2 LYS 85 2HG LYS 85 6.271 0.908 4.927 681 HG3 LYS 85 3HG LYS 85 5.086 2.011 5.627 682 HD2 LYS 85 2HD LYS 85 5.599 -0.862 6.493 683 HD3 LYS 85 3HD LYS 85 6.112 0.589 7.350 684 HE2 LYS 85 2HE LYS 85 3.732 1.194 7.699 685 HE3 LYS 85 3HE LYS 85 3.241 -0.296 6.896 686 HZ1 LYS 85 3HZ LYS 85 4.838 -0.095 9.391 687 HZ2 LYS 85 1HZ LYS 85 4.418 -1.536 8.614 688 HZ3 LYS 85 2HZ LYS 85 3.214 -0.552 9.278 689 H GLY 86 H GLY 86 4.770 -1.186 1.639 690 HA2 GLY 86 2HA GLY 86 2.150 -1.238 0.545 691 HA3 GLY 86 3HA GLY 86 3.649 -1.523 -0.314 692 H TYR 87 H TYR 87 4.388 -3.749 1.588 693 HA TYR 87 HA TYR 87 3.273 -5.935 0.171 694 HB2 TYR 87 2HB TYR 87 4.851 -5.846 2.773 695 HB3 TYR 87 3HB TYR 87 4.341 -7.354 2.019 696 HD1 TYR 87 HD2 TYR 87 4.847 -6.220 -0.913 697 HD2 TYR 87 HD1 TYR 87 7.224 -6.459 2.635 698 HE1 TYR 87 HE2 TYR 87 6.877 -6.256 -2.274 699 HE2 TYR 87 HE1 TYR 87 9.251 -6.504 1.255 700 HH TYR 87 HH TYR 87 9.285 -5.627 -1.966 701 H THR 88 H THR 88 2.497 -4.487 3.307 702 HA THR 88 HA THR 88 0.689 -6.411 4.255 703 HB THR 88 HB THR 88 0.542 -3.409 4.803 704 HG1 THR 88 HG1 THR 88 2.155 -5.378 6.107 705 HG21 THR 88 3HG2 THR 88 -1.354 -4.727 5.715 706 HG22 THR 88 1HG2 THR 88 -0.321 -4.113 7.010 707 HG23 THR 88 2HG2 THR 88 -0.212 -5.805 6.523 708 H ARG 89 H ARG 89 0.239 -3.634 2.075 709 HA ARG 89 HA ARG 89 -2.654 -3.912 1.943 710 HB2 ARG 89 2HB ARG 89 -0.804 -2.040 0.415 711 HB3 ARG 89 3HB ARG 89 -2.562 -1.939 0.447 712 HG2 ARG 89 2HG ARG 89 -0.728 -1.570 2.842 713 HG3 ARG 89 3HG ARG 89 -1.495 -0.272 1.928 714 HD2 ARG 89 2HD ARG 89 -2.761 -0.592 3.937 715 HD3 ARG 89 3HD ARG 89 -3.732 -1.224 2.605 716 HE ARG 89 HE ARG 89 -2.157 -3.250 3.905 717 HH11 ARG 89 1HH1 ARG 89 -5.161 -1.457 4.216 718 HH12 ARG 89 2HH1 ARG 89 -5.932 -2.697 5.147 719 HH21 ARG 89 1HH2 ARG 89 -3.229 -4.911 5.031 720 HH22 ARG 89 2HH2 ARG 89 -4.844 -4.640 5.608 721 H LYS 90 H LYS 90 0.112 -4.736 -0.040 722 HA LYS 90 HA LYS 90 -1.220 -5.342 -2.464 723 HB2 LYS 90 2HB LYS 90 1.235 -4.977 -2.339 724 HB3 LYS 90 3HB LYS 90 1.410 -6.409 -1.333 725 HG2 LYS 90 2HG LYS 90 2.115 -6.850 -3.643 726 HG3 LYS 90 3HG LYS 90 0.731 -7.850 -3.198 727 HD2 LYS 90 2HD LYS 90 -0.778 -6.402 -4.454 728 HD3 LYS 90 3HD LYS 90 0.528 -5.264 -4.791 729 HE2 LYS 90 2HE LYS 90 0.052 -6.661 -6.746 730 HE3 LYS 90 3HE LYS 90 1.678 -6.969 -6.139 731 HZ1 LYS 90 3HZ LYS 90 0.584 -9.017 -6.718 732 HZ2 LYS 90 1HZ LYS 90 -0.708 -8.675 -5.685 733 HZ3 LYS 90 2HZ LYS 90 0.827 -8.967 -5.046 734 H ALA 91 H ALA 91 -0.155 -7.309 0.278 735 HA ALA 91 HA ALA 91 -1.135 -9.796 -0.698 736 HB1 ALA 91 3HB ALA 91 0.745 -9.593 0.871 737 HB2 ALA 91 1HB ALA 91 -0.524 -10.638 1.510 738 HB3 ALA 91 2HB ALA 91 -0.349 -8.988 2.115 739 H ALA 92 H ALA 92 -2.456 -7.297 1.474 740 HA ALA 92 HA ALA 92 -4.811 -8.581 2.306 741 HB1 ALA 92 3HB ALA 92 -5.712 -6.331 2.719 742 HB2 ALA 92 1HB ALA 92 -4.423 -5.615 1.744 743 HB3 ALA 92 2HB ALA 92 -4.036 -6.435 3.257 744 H ALA 93 H ALA 93 -4.094 -6.683 -0.602 745 HA ALA 93 HA ALA 93 -6.670 -6.760 -1.770 746 HB1 ALA 93 3HB ALA 93 -5.529 -6.029 -3.822 747 HB2 ALA 93 1HB ALA 93 -3.963 -6.409 -3.096 748 HB3 ALA 93 2HB ALA 93 -4.963 -5.121 -2.417 749 H LEU 94 H LEU 94 -3.768 -8.785 -2.201 750 HA LEU 94 HA LEU 94 -4.687 -10.584 -4.134 751 HB2 LEU 94 2HB LEU 94 -2.692 -10.998 -1.880 752 HB3 LEU 94 3HB LEU 94 -2.973 -12.194 -3.139 753 HG LEU 94 HG LEU 94 -1.927 -9.380 -3.613 754 HD11 LEU 94 1HD1 LEU 94 -0.423 -12.008 -3.678 755 HD12 LEU 94 2HD1 LEU 94 -0.275 -10.751 -2.448 756 HD13 LEU 94 3HD1 LEU 94 0.223 -10.417 -4.104 757 HD21 LEU 94 3HD2 LEU 94 -3.220 -10.185 -5.520 758 HD22 LEU 94 1HD2 LEU 94 -2.284 -11.684 -5.559 759 HD23 LEU 94 2HD2 LEU 94 -1.506 -10.138 -5.914 760 H GLU 95 H GLU 95 -5.050 -10.630 -0.611 761 HA GLU 95 HA GLU 95 -6.225 -13.148 -0.270 762 HB2 GLU 95 2HB GLU 95 -5.445 -11.625 1.576 763 HB3 GLU 95 3HB GLU 95 -6.850 -10.605 1.284 764 HG2 GLU 95 2HG GLU 95 -8.305 -12.618 1.805 765 HG3 GLU 95 3HG GLU 95 -6.841 -13.466 2.299 766 H ALA 96 H ALA 96 -7.621 -10.033 -1.339 767 HA ALA 96 HA ALA 96 -10.390 -10.946 -1.233 768 HB1 ALA 96 3HB ALA 96 -9.181 -8.450 -2.498 769 HB2 ALA 96 1HB ALA 96 -9.832 -8.568 -0.860 770 HB3 ALA 96 2HB ALA 96 -10.904 -8.752 -2.247 771 H MET 97 H MET 97 -7.761 -11.293 -3.387 772 HA MET 97 HA MET 97 -9.413 -11.722 -5.799 773 HB2 MET 97 2HB MET 97 -6.384 -11.711 -5.400 774 HB3 MET 97 3HB MET 97 -7.197 -11.926 -6.949 775 HG2 MET 97 2HG MET 97 -7.322 -9.451 -5.218 776 HG3 MET 97 3HG MET 97 -6.362 -9.651 -6.688 777 HE1 MET 97 3HE MET 97 -8.526 -7.331 -6.020 778 HE2 MET 97 1HE MET 97 -9.346 -7.159 -7.572 779 HE3 MET 97 2HE MET 97 -7.591 -7.319 -7.518 780 H LYS 98 H LYS 98 -8.847 -13.487 -3.184 781 HA LYS 98 HA LYS 98 -8.933 -15.665 -2.595 782 HB2 LYS 98 2HB LYS 98 -9.164 -16.309 -5.564 783 HB3 LYS 98 3HB LYS 98 -9.481 -17.433 -4.249 784 HG2 LYS 98 2HG LYS 98 -11.083 -14.912 -4.825 785 HG3 LYS 98 3HG LYS 98 -11.547 -16.545 -5.305 786 HD2 LYS 98 2HD LYS 98 -11.243 -15.530 -2.449 787 HD3 LYS 98 3HD LYS 98 -12.761 -15.855 -3.289 788 HE2 LYS 98 2HE LYS 98 -12.059 -18.270 -3.482 789 HE3 LYS 98 3HE LYS 98 -10.650 -17.882 -2.487 790 HZ1 LYS 98 3HZ LYS 98 -12.402 -18.798 -1.153 791 HZ2 LYS 98 1HZ LYS 98 -13.485 -17.609 -1.676 792 HZ3 LYS 98 2HZ LYS 98 -12.154 -17.182 -0.732 793 H ASP 99 H ASP 99 -6.414 -14.245 -3.804 794 HA ASP 99 HA ASP 99 -4.672 -16.498 -4.478 795 HB2 ASP 99 2HB ASP 99 -4.412 -13.474 -4.634 796 HB3 ASP 99 3HB ASP 99 -2.996 -14.497 -4.802 797 H TYR 100 H TYR 100 -5.524 -16.684 -1.897 798 HA TYR 100 HA TYR 100 -4.104 -15.581 0.198 799 HB2 TYR 100 2HB TYR 100 -4.905 -18.524 0.067 800 HB3 TYR 100 3HB TYR 100 -4.768 -17.517 1.510 801 HD1 TYR 100 HD1 TYR 100 -6.273 -15.161 1.073 802 HD2 TYR 100 HD2 TYR 100 -7.145 -19.081 -0.374 803 HE1 TYR 100 HE1 TYR 100 -8.639 -14.581 0.878 804 HE2 TYR 100 HE2 TYR 100 -9.517 -18.487 -0.554 805 HH TYR 100 HH TYR 100 -11.049 -16.769 0.649 806 H THR 101 H THR 101 -3.178 -18.226 -1.925 807 HA THR 101 HA THR 101 -0.902 -19.186 -0.600 808 HB THR 101 HB THR 101 -0.296 -20.106 -2.892 809 HG1 THR 101 HG1 THR 101 -1.578 -19.607 -4.610 810 HG21 THR 101 3HG2 THR 101 -3.181 -20.542 -2.016 811 HG22 THR 101 1HG2 THR 101 -1.772 -21.414 -1.404 812 HG23 THR 101 2HG2 THR 101 -2.264 -21.602 -3.088 813 H LYS 102 H LYS 102 -1.353 -16.523 -2.914 814 HA LYS 102 HA LYS 102 1.487 -15.987 -3.253 815 HB2 LYS 102 2HB LYS 102 -0.689 -13.965 -3.895 816 HB3 LYS 102 3HB LYS 102 0.853 -14.222 -4.710 817 HG2 LYS 102 2HG LYS 102 -1.592 -15.995 -4.827 818 HG3 LYS 102 3HG LYS 102 -1.004 -14.935 -6.109 819 HD2 LYS 102 2HD LYS 102 0.969 -16.326 -6.426 820 HD3 LYS 102 3HD LYS 102 0.558 -17.307 -5.011 821 HE2 LYS 102 2HE LYS 102 -0.052 -18.466 -7.073 822 HE3 LYS 102 3HE LYS 102 -1.491 -18.086 -6.142 823 HZ1 LYS 102 3HZ LYS 102 -1.985 -16.282 -7.595 824 HZ2 LYS 102 1HZ LYS 102 -1.700 -17.642 -8.554 825 HZ3 LYS 102 2HZ LYS 102 -0.520 -16.443 -8.415 826 H ALA 103 H ALA 103 -1.238 -14.625 -1.524 827 HA ALA 103 HA ALA 103 -0.159 -12.255 -0.570 828 HB1 ALA 103 3HB ALA 103 -2.560 -12.721 -0.597 829 HB2 ALA 103 1HB ALA 103 -2.038 -12.254 1.023 830 HB3 ALA 103 2HB ALA 103 -2.355 -13.952 0.652 831 H MET 104 H MET 104 -0.359 -15.443 1.015 832 HA MET 104 HA MET 104 0.622 -14.758 3.538 833 HB2 MET 104 2HB MET 104 1.089 -17.148 3.875 834 HB3 MET 104 3HB MET 104 -0.473 -16.906 3.113 835 HG2 MET 104 2HG MET 104 0.462 -17.568 0.943 836 HG3 MET 104 3HG MET 104 2.057 -17.751 1.676 837 HE1 MET 104 3HE MET 104 -1.526 -20.419 2.851 838 HE2 MET 104 1HE MET 104 -1.677 -19.002 1.818 839 HE3 MET 104 2HE MET 104 -1.298 -18.807 3.532 840 H ASP 105 H ASP 105 2.410 -15.498 0.561 841 HA ASP 105 HA ASP 105 5.018 -15.684 1.700 842 HB2 ASP 105 2HB ASP 105 4.221 -14.813 -1.118 843 HB3 ASP 105 3HB ASP 105 5.865 -15.196 -0.609 844 H VAL 106 H VAL 106 3.012 -13.020 0.516 845 HA VAL 106 HA VAL 106 5.130 -11.061 0.404 846 HB VAL 106 HB VAL 106 2.103 -10.656 0.339 847 HG11 VAL 106 1HG1 VAL 106 2.600 -8.547 -0.862 848 HG12 VAL 106 2HG1 VAL 106 4.328 -8.841 -0.651 849 HG13 VAL 106 3HG1 VAL 106 3.305 -8.556 0.757 850 HG21 VAL 106 3HG2 VAL 106 2.287 -10.721 -2.123 851 HG22 VAL 106 1HG2 VAL 106 2.829 -12.241 -1.406 852 HG23 VAL 106 2HG2 VAL 106 4.013 -11.072 -1.990 853 H TYR 107 H TYR 107 2.523 -11.873 2.664 854 HA TYR 107 HA TYR 107 2.949 -9.960 4.678 855 HB2 TYR 107 2HB TYR 107 1.935 -12.831 4.841 856 HB3 TYR 107 3HB TYR 107 1.947 -11.741 6.222 857 HD1 TYR 107 HD1 TYR 107 0.866 -9.269 5.438 858 HD2 TYR 107 HD2 TYR 107 -0.231 -13.124 3.965 859 HE1 TYR 107 HE1 TYR 107 -1.380 -8.431 4.924 860 HE2 TYR 107 HE2 TYR 107 -2.473 -12.286 3.435 861 HH TYR 107 HH TYR 107 -3.991 -10.519 4.141 862 H GLN 108 H GLN 108 4.254 -13.233 4.219 863 HA GLN 108 HA GLN 108 5.842 -13.480 6.504 864 HB2 GLN 108 2HB GLN 108 5.118 -15.270 4.785 865 HB3 GLN 108 3HB GLN 108 6.462 -14.737 3.796 866 HG2 GLN 108 2HG GLN 108 6.898 -15.722 6.618 867 HG3 GLN 108 3HG GLN 108 6.726 -16.850 5.283 868 HE21 GLN 108 1HE2 GLN 108 8.737 -14.393 6.711 869 HE22 GLN 108 2HE2 GLN 108 10.168 -14.754 5.823 870 H LYS 109 H LYS 109 6.588 -12.139 3.291 871 HA LYS 109 HA LYS 109 9.355 -11.654 3.811 872 HB2 LYS 109 2HB LYS 109 7.568 -10.592 1.587 873 HB3 LYS 109 3HB LYS 109 9.312 -10.346 1.662 874 HG2 LYS 109 2HG LYS 109 7.854 -12.985 1.345 875 HG3 LYS 109 3HG LYS 109 8.839 -12.165 0.136 876 HD2 LYS 109 2HD LYS 109 9.859 -13.348 2.756 877 HD3 LYS 109 3HD LYS 109 10.016 -14.091 1.167 878 HE2 LYS 109 2HE LYS 109 11.404 -12.171 0.425 879 HE3 LYS 109 3HE LYS 109 11.265 -11.462 2.036 880 HZ1 LYS 109 3HZ LYS 109 12.431 -13.329 2.952 881 HZ2 LYS 109 1HZ LYS 109 13.343 -12.679 1.689 882 HZ3 LYS 109 2HZ LYS 109 12.475 -14.104 1.452 883 H ALA 110 H ALA 110 6.406 -9.673 4.089 884 HA ALA 110 HA ALA 110 7.647 -7.184 4.651 885 HB1 ALA 110 3HB ALA 110 5.513 -6.554 5.696 886 HB2 ALA 110 1HB ALA 110 5.019 -8.250 5.757 887 HB3 ALA 110 2HB ALA 110 5.217 -7.444 4.202 888 H LEU 111 H LEU 111 6.729 -9.906 6.727 889 HA LEU 111 HA LEU 111 7.620 -8.870 9.231 890 HB2 LEU 111 2HB LEU 111 7.272 -11.761 8.339 891 HB3 LEU 111 3HB LEU 111 7.396 -11.220 10.008 892 HG LEU 111 HG LEU 111 5.138 -10.428 8.128 893 HD11 LEU 111 1HD1 LEU 111 5.088 -12.552 10.281 894 HD12 LEU 111 2HD1 LEU 111 5.090 -12.841 8.539 895 HD13 LEU 111 3HD1 LEU 111 3.725 -12.018 9.291 896 HD21 LEU 111 3HD2 LEU 111 5.436 -10.065 11.123 897 HD22 LEU 111 1HD2 LEU 111 4.000 -9.671 10.168 898 HD23 LEU 111 2HD2 LEU 111 5.504 -8.796 9.896 899 H ASP 112 H ASP 112 9.122 -10.735 6.664 900 HA ASP 112 HA ASP 112 11.496 -11.549 7.963 901 HB2 ASP 112 2HB ASP 112 10.787 -12.675 5.930 902 HB3 ASP 112 3HB ASP 112 10.820 -11.170 5.019 903 H LEU 113 H LEU 113 10.730 -8.726 5.916 904 HA LEU 113 HA LEU 113 13.361 -7.588 6.038 905 HB2 LEU 113 2HB LEU 113 10.739 -6.217 5.313 906 HB3 LEU 113 3HB LEU 113 12.351 -5.579 5.022 907 HG LEU 113 HG LEU 113 10.987 -7.903 3.628 908 HD11 LEU 113 1HD1 LEU 113 11.371 -6.597 1.600 909 HD12 LEU 113 2HD1 LEU 113 12.121 -5.311 2.551 910 HD13 LEU 113 3HD1 LEU 113 10.412 -5.702 2.778 911 HD21 LEU 113 3HD2 LEU 113 13.253 -8.658 4.036 912 HD22 LEU 113 1HD2 LEU 113 13.915 -7.147 3.401 913 HD23 LEU 113 2HD2 LEU 113 13.058 -8.261 2.332 914 H ASP 114 H ASP 114 10.423 -7.297 7.954 915 HA ASP 114 HA ASP 114 11.819 -5.805 10.024 916 HB2 ASP 114 2HB ASP 114 11.121 -3.976 8.564 917 HB3 ASP 114 3HB ASP 114 9.473 -4.595 8.496 918 H SER 115 H SER 115 11.323 -6.927 11.760 919 HA SER 115 HA SER 115 9.115 -8.582 12.205 920 HB2 SER 115 2HB SER 115 11.293 -8.633 13.476 921 HB3 SER 115 3HB SER 115 10.788 -7.189 14.343 922 HG SER 115 HG SER 115 8.902 -8.470 15.006 923 H SER 116 H SER 116 9.629 -5.149 12.964 924 HA SER 116 HA SER 116 7.351 -4.655 14.549 925 HB2 SER 116 2HB SER 116 9.263 -3.113 14.465 926 HB3 SER 116 3HB SER 116 8.957 -2.779 12.763 927 HG SER 116 HG SER 116 7.292 -1.526 13.287 928 H CYS 117 H CYS 117 7.559 -5.336 11.172 929 HA CYS 117 HA CYS 117 5.037 -4.164 10.417 930 HB2 CYS 117 2HB CYS 117 6.885 -4.729 8.784 931 HB3 CYS 117 3HB CYS 117 6.504 -6.432 9.028 932 HG CYS 117 HG CYS 117 5.437 -5.112 6.586 933 H LYS 118 H LYS 118 5.343 -6.282 12.790 934 HA LYS 118 HA LYS 118 3.978 -8.562 12.626 935 HB2 LYS 118 2HB LYS 118 3.433 -6.375 14.658 936 HB3 LYS 118 3HB LYS 118 2.817 -8.011 14.842 937 HG2 LYS 118 2HG LYS 118 5.720 -7.145 14.837 938 HG3 LYS 118 3HG LYS 118 4.778 -7.723 16.211 939 HD2 LYS 118 2HD LYS 118 5.578 -9.359 13.770 940 HD3 LYS 118 3HD LYS 118 6.287 -9.475 15.380 941 HE2 LYS 118 2HE LYS 118 4.161 -10.289 16.287 942 HE3 LYS 118 3HE LYS 118 3.394 -10.113 14.704 943 HZ1 LYS 118 3HZ LYS 118 5.602 -11.964 15.418 944 HZ2 LYS 118 1HZ LYS 118 5.020 -11.738 13.845 945 HZ3 LYS 118 2HZ LYS 118 4.011 -12.379 15.036 946 H GLU 119 H GLU 119 2.336 -5.511 11.977 947 HA GLU 119 HA GLU 119 -0.336 -6.250 12.115 948 HB2 GLU 119 2HB GLU 119 -0.751 -4.469 10.461 949 HB3 GLU 119 3HB GLU 119 0.365 -3.946 11.719 950 HG2 GLU 119 2HG GLU 119 2.272 -4.345 10.148 951 HG3 GLU 119 3HG GLU 119 1.111 -4.770 8.890 952 H ALA 120 H ALA 120 1.997 -6.810 9.511 953 HA ALA 120 HA ALA 120 0.297 -8.095 7.649 954 HB1 ALA 120 3HB ALA 120 2.386 -8.798 6.536 955 HB2 ALA 120 1HB ALA 120 3.317 -8.297 7.949 956 HB3 ALA 120 2HB ALA 120 2.454 -7.093 6.988 957 H ALA 121 H ALA 121 1.871 -9.259 10.591 958 HA ALA 121 HA ALA 121 1.680 -12.075 9.981 959 HB1 ALA 121 3HB ALA 121 3.209 -11.289 11.729 960 HB2 ALA 121 1HB ALA 121 2.043 -12.429 12.405 961 HB3 ALA 121 2HB ALA 121 1.853 -10.694 12.683 962 H ASP 122 H ASP 122 -0.345 -9.701 11.665 963 HA ASP 122 HA ASP 122 -2.539 -11.343 12.312 964 HB2 ASP 122 2HB ASP 122 -2.237 -9.046 13.223 965 HB3 ASP 122 3HB ASP 122 -2.527 -8.366 11.625 966 H GLY 123 H GLY 123 -1.738 -9.486 9.422 967 HA2 GLY 123 2HA GLY 123 -3.977 -10.046 7.816 968 HA3 GLY 123 3HA GLY 123 -2.384 -9.575 7.248 969 H TYR 124 H TYR 124 -0.965 -11.819 8.371 970 HA TYR 124 HA TYR 124 -1.210 -13.757 6.340 971 HB2 TYR 124 2HB TYR 124 0.929 -13.473 7.398 972 HB3 TYR 124 3HB TYR 124 0.259 -13.745 9.000 973 HD1 TYR 124 HD1 TYR 124 0.211 -15.672 5.754 974 HD2 TYR 124 HD2 TYR 124 1.065 -15.736 9.949 975 HE1 TYR 124 HE1 TYR 124 0.835 -18.045 5.595 976 HE2 TYR 124 HE2 TYR 124 1.683 -18.103 9.784 977 HH TYR 124 HH TYR 124 1.140 -20.040 8.279 978 H GLN 125 H GLN 125 -2.112 -13.897 9.801 979 HA GLN 125 HA GLN 125 -3.119 -16.450 10.012 980 HB2 GLN 125 2HB GLN 125 -3.545 -13.890 11.496 981 HB3 GLN 125 3HB GLN 125 -4.791 -15.099 11.759 982 HG2 GLN 125 2HG GLN 125 -2.868 -15.061 13.437 983 HG3 GLN 125 3HG GLN 125 -3.280 -16.625 12.739 984 HE21 GLN 125 1HE2 GLN 125 -0.965 -14.023 12.730 985 HE22 GLN 125 2HE2 GLN 125 0.324 -14.900 11.993 986 H ARG 126 H ARG 126 -5.056 -13.564 9.205 987 HA ARG 126 HA ARG 126 -7.501 -14.927 8.733 988 HB2 ARG 126 2HB ARG 126 -8.184 -12.764 7.566 989 HB3 ARG 126 3HB ARG 126 -7.625 -12.585 9.228 990 HG2 ARG 126 2HG ARG 126 -5.436 -11.834 8.448 991 HG3 ARG 126 3HG ARG 126 -5.923 -12.073 6.772 992 HD2 ARG 126 2HD ARG 126 -7.353 -10.152 8.625 993 HD3 ARG 126 3HD ARG 126 -5.949 -9.682 7.661 994 HE ARG 126 HE ARG 126 -7.892 -10.896 6.005 995 HH11 ARG 126 1HH1 ARG 126 -7.254 -7.875 7.699 996 HH12 ARG 126 2HH1 ARG 126 -8.206 -6.930 6.599 997 HH21 ARG 126 1HH2 ARG 126 -9.108 -9.643 4.576 998 HH22 ARG 126 2HH2 ARG 126 -9.259 -7.932 4.825 999 H CYS 127 H CYS 127 -4.675 -14.486 6.698 1000 HA CYS 127 HA CYS 127 -6.065 -14.763 4.157 1001 HB2 CYS 127 2HB CYS 127 -4.040 -13.380 4.316 1002 HB3 CYS 127 3HB CYS 127 -3.091 -14.779 4.811 1003 HG CYS 127 HG CYS 127 -4.263 -13.940 1.764 1004 H MET 128 H MET 128 -3.717 -16.744 5.992 1005 HA MET 128 HA MET 128 -3.816 -19.018 4.330 1006 HB2 MET 128 2HB MET 128 -2.807 -20.252 6.284 1007 HB3 MET 128 3HB MET 128 -1.932 -18.805 5.810 1008 HG2 MET 128 2HG MET 128 -2.642 -17.612 7.728 1009 HG3 MET 128 3HG MET 128 -3.921 -18.769 8.086 1010 HE1 MET 128 3HE MET 128 -2.638 -21.591 7.922 1011 HE2 MET 128 1HE MET 128 -3.605 -21.017 9.284 1012 HE3 MET 128 2HE MET 128 -2.043 -21.782 9.572 1013 H MET 129 H MET 129 -5.674 -18.156 7.269 1014 HA MET 129 HA MET 129 -6.942 -20.693 7.558 1015 HB2 MET 129 2HB MET 129 -8.163 -19.775 9.345 1016 HB3 MET 129 3HB MET 129 -6.700 -18.802 9.353 1017 HG2 MET 129 2HG MET 129 -7.854 -16.951 8.312 1018 HG3 MET 129 3HG MET 129 -9.290 -17.934 8.038 1019 HE1 MET 129 3HE MET 129 -9.926 -15.253 9.228 1020 HE2 MET 129 1HE MET 129 -10.908 -15.687 10.626 1021 HE3 MET 129 2HE MET 129 -11.087 -16.581 9.114 1022 H ALA 130 H ALA 130 -7.555 -17.973 5.492 1023 HA ALA 130 HA ALA 130 -10.351 -18.141 5.154 1024 HB1 ALA 130 3HB ALA 130 -8.262 -17.104 3.213 1025 HB2 ALA 130 1HB ALA 130 -9.040 -16.176 4.496 1026 HB3 ALA 130 2HB ALA 130 -9.997 -16.773 3.140 1027 H GLN 131 H GLN 131 -7.673 -19.676 3.349 1028 HA GLN 131 HA GLN 131 -9.495 -21.173 1.646 1029 HB2 GLN 131 2HB GLN 131 -7.386 -22.325 0.822 1030 HB3 GLN 131 3HB GLN 131 -7.457 -20.592 0.558 1031 HG2 GLN 131 2HG GLN 131 -5.922 -20.193 2.391 1032 HG3 GLN 131 3HG GLN 131 -5.925 -21.906 2.811 1033 HE21 GLN 131 1HE2 GLN 131 -3.641 -20.357 2.192 1034 HE22 GLN 131 2HE2 GLN 131 -2.909 -21.062 0.797 1035 H TYR 132 H TYR 132 -7.804 -21.688 4.672 1036 HA TYR 132 HA TYR 132 -8.536 -24.555 4.707 1037 HB2 TYR 132 2HB TYR 132 -6.913 -23.035 6.800 1038 HB3 TYR 132 3HB TYR 132 -7.008 -24.777 6.586 1039 HD1 TYR 132 HD1 TYR 132 -6.579 -24.707 3.463 1040 HD2 TYR 132 HD2 TYR 132 -4.494 -22.874 6.722 1041 HE1 TYR 132 HE1 TYR 132 -4.536 -24.587 2.102 1042 HE2 TYR 132 HE2 TYR 132 -2.455 -22.778 5.364 1043 HH TYR 132 HH TYR 132 -1.469 -23.918 3.435 1044 H ASN 133 H ASN 133 -10.641 -22.656 4.787 1045 HA ASN 133 HA ASN 133 -11.431 -22.279 7.586 1046 HB2 ASN 133 2HB ASN 133 -11.587 -20.556 5.416 1047 HB3 ASN 133 3HB ASN 133 -13.218 -21.194 5.430 1048 HD21 ASN 133 1HD2 ASN 133 -11.040 -20.474 8.158 1049 HD22 ASN 133 2HD2 ASN 133 -12.081 -19.301 8.879 Start of MODEL 11 1 H1 MET 1 1H MET 1 0.338 43.312 2.739 2 H2 MET 1 2H MET 1 1.595 42.609 1.858 3 H3 MET 1 3H MET 1 1.107 44.186 1.515 4 HA MET 1 HA MET 1 1.866 44.964 3.600 5 HB2 MET 1 2HB MET 1 3.096 43.427 5.141 6 HB3 MET 1 3HB MET 1 1.399 43.020 4.974 7 HG2 MET 1 2HG MET 1 2.639 40.992 5.039 8 HG3 MET 1 3HG MET 1 2.065 41.192 3.383 9 HE1 MET 1 3HE MET 1 5.591 39.359 3.091 10 HE2 MET 1 1HE MET 1 3.875 39.228 2.709 11 HE3 MET 1 2HE MET 1 4.413 39.163 4.388 12 H GLY 2 H GLY 2 4.253 45.310 4.126 13 HA2 GLY 2 2HA GLY 2 6.338 44.294 2.542 14 HA3 GLY 2 3HA GLY 2 5.724 45.746 1.755 15 H HIS 3 H HIS 3 6.293 44.839 5.169 16 HA HIS 3 HA HIS 3 8.422 46.913 5.350 17 HB2 HIS 3 2HB HIS 3 6.376 47.675 6.568 18 HB3 HIS 3 3HB HIS 3 6.407 46.214 7.548 19 HD1 HIS 3 HD1 HIS 3 7.882 49.602 7.276 20 HD2 HIS 3 HD2 HIS 3 8.572 46.143 9.474 21 HE1 HIS 3 HE1 HIS 3 9.420 50.280 9.142 22 HE2 HIS 3 HE2 HIS 3 10.008 48.128 10.288 23 H HIS 4 H HIS 4 10.300 46.183 6.126 24 HA HIS 4 HA HIS 4 11.989 44.857 6.800 25 HB2 HIS 4 2HB HIS 4 10.671 44.545 8.929 26 HB3 HIS 4 3HB HIS 4 9.915 43.123 8.227 27 HD1 HIS 4 HD1 HIS 4 10.991 40.990 8.929 28 HD2 HIS 4 HD2 HIS 4 13.679 44.154 8.970 29 HE1 HIS 4 HE1 HIS 4 13.163 40.020 9.732 30 HE2 HIS 4 HE2 HIS 4 14.710 41.985 9.903 31 H HIS 5 H HIS 5 9.954 44.183 4.486 32 HA HIS 5 HA HIS 5 10.307 41.409 3.904 33 HB2 HIS 5 2HB HIS 5 9.198 41.880 1.799 34 HB3 HIS 5 3HB HIS 5 8.376 42.779 3.068 35 HD1 HIS 5 HD1 HIS 5 9.198 43.235 -0.282 36 HD2 HIS 5 HD2 HIS 5 9.733 45.623 3.080 37 HE1 HIS 5 HE1 HIS 5 9.415 45.586 -1.143 38 HE2 HIS 5 HE2 HIS 5 9.626 47.014 0.909 39 H HIS 6 H HIS 6 11.852 40.419 2.698 40 HA HIS 6 HA HIS 6 13.602 41.832 0.877 41 HB2 HIS 6 2HB HIS 6 14.721 42.176 3.126 42 HB3 HIS 6 3HB HIS 6 14.842 40.428 3.306 43 HD1 HIS 6 HD1 HIS 6 16.219 43.286 1.263 44 HD2 HIS 6 HD2 HIS 6 16.955 39.237 1.883 45 HE1 HIS 6 HE1 HIS 6 18.403 42.813 0.123 46 HE2 HIS 6 HE2 HIS 6 18.899 40.414 0.663 47 H HIS 7 H HIS 7 14.277 40.474 -0.713 48 HA HIS 7 HA HIS 7 13.153 37.879 -0.951 49 HB2 HIS 7 2HB HIS 7 15.176 39.371 -2.654 50 HB3 HIS 7 3HB HIS 7 14.618 37.749 -3.055 51 HD1 HIS 7 HD1 HIS 7 12.311 37.523 -4.106 52 HD2 HIS 7 HD2 HIS 7 13.167 41.413 -2.919 53 HE1 HIS 7 HE1 HIS 7 10.496 38.945 -5.092 54 HE2 HIS 7 HE2 HIS 7 10.973 41.268 -4.276 55 H HIS 8 H HIS 8 13.803 36.586 0.639 56 HA HIS 8 HA HIS 8 16.626 36.118 1.296 57 HB2 HIS 8 2HB HIS 8 15.591 34.701 3.154 58 HB3 HIS 8 3HB HIS 8 15.194 36.416 3.204 59 HD1 HIS 8 HD1 HIS 8 12.741 37.039 3.105 60 HD2 HIS 8 HD2 HIS 8 13.395 33.022 2.267 61 HE1 HIS 8 HE1 HIS 8 10.465 35.979 3.049 62 HE2 HIS 8 HE2 HIS 8 10.887 33.622 2.315 63 H SER 9 H SER 9 17.143 33.738 1.793 64 HA SER 9 HA SER 9 17.049 32.319 -0.715 65 HB2 SER 9 2HB SER 9 18.411 31.630 1.925 66 HB3 SER 9 3HB SER 9 18.710 30.835 0.377 67 HG SER 9 HG SER 9 20.264 32.463 0.826 68 H HIS 10 H HIS 10 17.150 29.757 -0.191 69 HA HIS 10 HA HIS 10 14.550 28.836 -0.357 70 HB2 HIS 10 2HB HIS 10 16.538 27.728 -1.313 71 HB3 HIS 10 3HB HIS 10 17.131 27.347 0.296 72 HD1 HIS 10 HD1 HIS 10 16.902 24.945 0.676 73 HD2 HIS 10 HD2 HIS 10 13.731 26.396 -1.574 74 HE1 HIS 10 HE1 HIS 10 15.507 22.945 0.134 75 HE2 HIS 10 HE2 HIS 10 13.497 23.877 -1.048 76 H MET 11 H MET 11 13.035 28.848 1.234 77 HA MET 11 HA MET 11 13.720 28.724 4.066 78 HB2 MET 11 2HB MET 11 10.989 28.892 2.718 79 HB3 MET 11 3HB MET 11 11.278 29.057 4.446 80 HG2 MET 11 2HG MET 11 12.323 30.923 2.311 81 HG3 MET 11 3HG MET 11 10.927 31.219 3.345 82 HE1 MET 11 3HE MET 11 11.084 31.792 5.942 83 HE2 MET 11 1HE MET 11 12.583 31.706 6.867 84 HE3 MET 11 2HE MET 11 11.856 30.231 6.230 85 H ASN 12 H ASN 12 11.232 26.965 2.192 86 HA ASN 12 HA ASN 12 10.917 24.843 4.015 87 HB2 ASN 12 2HB ASN 12 10.175 25.076 1.058 88 HB3 ASN 12 3HB ASN 12 9.684 23.722 2.072 89 HD21 ASN 12 1HD2 ASN 12 9.279 27.166 1.510 90 HD22 ASN 12 2HD2 ASN 12 7.817 27.320 2.420 91 HA PRO 13 HA PRO 13 14.928 22.901 3.094 92 HB2 PRO 13 2HB PRO 13 14.394 20.472 4.428 93 HB3 PRO 13 3HB PRO 13 15.020 21.942 5.195 94 HG2 PRO 13 2HG PRO 13 12.200 20.946 5.066 95 HG3 PRO 13 3HG PRO 13 13.064 21.699 6.425 96 HD2 PRO 13 2HD PRO 13 11.304 23.097 4.977 97 HD3 PRO 13 3HD PRO 13 12.803 23.862 5.553 98 H ASP 14 H ASP 14 11.861 21.248 2.543 99 HA ASP 14 HA ASP 14 12.613 20.618 -0.157 100 HB2 ASP 14 2HB ASP 14 13.557 18.628 0.874 101 HB3 ASP 14 3HB ASP 14 12.104 18.358 1.829 102 H LEU 15 H LEU 15 10.881 21.435 -1.158 103 HA LEU 15 HA LEU 15 8.368 21.916 -0.001 104 HB2 LEU 15 2HB LEU 15 9.169 21.831 -2.936 105 HB3 LEU 15 3HB LEU 15 7.626 22.427 -2.347 106 HG LEU 15 HG LEU 15 9.054 24.125 -0.946 107 HD11 LEU 15 1HD1 LEU 15 11.145 23.431 -3.009 108 HD12 LEU 15 2HD1 LEU 15 11.250 23.166 -1.267 109 HD13 LEU 15 3HD1 LEU 15 11.193 24.806 -1.902 110 HD21 LEU 15 3HD2 LEU 15 7.585 24.797 -2.781 111 HD22 LEU 15 1HD2 LEU 15 8.858 24.449 -3.955 112 HD23 LEU 15 2HD2 LEU 15 9.062 25.756 -2.783 113 H ALA 16 H ALA 16 9.582 19.182 -1.860 114 HA ALA 16 HA ALA 16 7.164 17.835 -2.391 115 HB1 ALA 16 3HB ALA 16 8.511 15.812 -2.702 116 HB2 ALA 16 1HB ALA 16 9.899 16.598 -1.930 117 HB3 ALA 16 2HB ALA 16 9.284 17.203 -3.467 118 H LEU 17 H LEU 17 9.045 18.121 0.603 119 HA LEU 17 HA LEU 17 7.657 15.953 1.929 120 HB2 LEU 17 2HB LEU 17 9.105 16.214 3.675 121 HB3 LEU 17 3HB LEU 17 10.039 17.028 2.447 122 HG LEU 17 HG LEU 17 8.822 19.222 3.464 123 HD11 LEU 17 1HD1 LEU 17 8.869 17.375 5.878 124 HD12 LEU 17 2HD1 LEU 17 7.428 18.033 5.103 125 HD13 LEU 17 3HD1 LEU 17 8.561 19.117 5.906 126 HD21 LEU 17 3HD2 LEU 17 11.225 17.900 4.770 127 HD22 LEU 17 1HD2 LEU 17 10.792 19.610 4.883 128 HD23 LEU 17 2HD2 LEU 17 11.243 18.918 3.328 129 H MET 18 H MET 18 7.020 19.296 1.285 130 HA MET 18 HA MET 18 5.172 19.674 3.521 131 HB2 MET 18 2HB MET 18 5.691 21.451 1.089 132 HB3 MET 18 3HB MET 18 4.795 21.911 2.534 133 HG2 MET 18 2HG MET 18 7.749 21.279 2.368 134 HG3 MET 18 3HG MET 18 7.020 22.870 2.608 135 HE1 MET 18 3HE MET 18 8.661 22.183 6.124 136 HE2 MET 18 1HE MET 18 8.581 23.279 4.746 137 HE3 MET 18 2HE MET 18 9.329 21.689 4.570 138 H VAL 19 H VAL 19 5.039 18.969 0.068 139 HA VAL 19 HA VAL 19 2.212 19.335 -0.228 140 HB VAL 19 HB VAL 19 3.819 19.590 -2.126 141 HG11 VAL 19 1HG1 VAL 19 4.000 16.562 -2.073 142 HG12 VAL 19 2HG1 VAL 19 5.296 17.691 -1.671 143 HG13 VAL 19 3HG1 VAL 19 4.669 17.623 -3.316 144 HG21 VAL 19 3HG2 VAL 19 2.385 18.585 -3.858 145 HG22 VAL 19 1HG2 VAL 19 1.405 19.285 -2.567 146 HG23 VAL 19 2HG2 VAL 19 1.634 17.536 -2.652 147 H LYS 20 H LYS 20 4.244 16.551 0.568 148 HA LYS 20 HA LYS 20 2.219 14.565 0.206 149 HB2 LYS 20 2HB LYS 20 3.680 13.029 1.396 150 HB3 LYS 20 3HB LYS 20 4.650 13.999 0.299 151 HG2 LYS 20 2HG LYS 20 5.396 15.395 2.198 152 HG3 LYS 20 3HG LYS 20 4.415 14.427 3.293 153 HD2 LYS 20 2HD LYS 20 6.707 13.708 3.496 154 HD3 LYS 20 3HD LYS 20 5.812 12.419 2.695 155 HE2 LYS 20 2HE LYS 20 7.430 14.461 1.153 156 HE3 LYS 20 3HE LYS 20 8.143 12.987 1.780 157 HZ1 LYS 20 3HZ LYS 20 5.975 13.205 -0.222 158 HZ2 LYS 20 1HZ LYS 20 6.495 11.748 0.470 159 HZ3 LYS 20 2HZ LYS 20 7.553 12.667 -0.468 160 H ASN 21 H ASN 21 3.058 16.771 2.798 161 HA ASN 21 HA ASN 21 1.663 15.484 4.935 162 HB2 ASN 21 2HB ASN 21 2.506 18.400 4.648 163 HB3 ASN 21 3HB ASN 21 1.912 17.670 6.138 164 HD21 ASN 21 1HD2 ASN 21 4.448 18.951 5.688 165 HD22 ASN 21 2HD2 ASN 21 5.673 17.766 5.995 166 H LYS 22 H LYS 22 0.771 18.090 2.659 167 HA LYS 22 HA LYS 22 -1.813 18.519 3.840 168 HB2 LYS 22 2HB LYS 22 -2.225 19.881 1.710 169 HB3 LYS 22 3HB LYS 22 -0.935 20.419 2.770 170 HG2 LYS 22 2HG LYS 22 0.514 20.385 1.044 171 HG3 LYS 22 3HG LYS 22 0.276 18.650 0.888 172 HD2 LYS 22 2HD LYS 22 -0.137 19.623 -1.241 173 HD3 LYS 22 3HD LYS 22 -1.700 19.129 -0.596 174 HE2 LYS 22 2HE LYS 22 -2.190 21.456 0.044 175 HE3 LYS 22 3HE LYS 22 -0.595 21.962 -0.517 176 HZ1 LYS 22 3HZ LYS 22 -2.253 22.460 -2.162 177 HZ2 LYS 22 1HZ LYS 22 -2.765 20.851 -2.212 178 HZ3 LYS 22 2HZ LYS 22 -1.221 21.267 -2.752 179 H GLY 23 H GLY 23 -0.559 16.586 1.129 180 HA2 GLY 23 2HA GLY 23 -2.982 15.524 0.131 181 HA3 GLY 23 3HA GLY 23 -1.425 14.706 0.109 182 H ASN 24 H ASN 24 -0.935 14.546 2.850 183 HA ASN 24 HA ASN 24 -2.277 12.197 3.644 184 HB2 ASN 24 2HB ASN 24 -0.399 14.097 5.064 185 HB3 ASN 24 3HB ASN 24 -1.185 12.818 5.973 186 HD21 ASN 24 1HD2 ASN 24 -0.139 12.331 2.610 187 HD22 ASN 24 2HD2 ASN 24 1.140 11.248 3.013 188 H GLU 25 H GLU 25 -2.578 15.571 4.801 189 HA GLU 25 HA GLU 25 -4.462 14.922 6.822 190 HB2 GLU 25 2HB GLU 25 -4.709 17.263 7.250 191 HB3 GLU 25 3HB GLU 25 -3.015 16.987 6.878 192 HG2 GLU 25 2HG GLU 25 -3.389 17.866 4.592 193 HG3 GLU 25 3HG GLU 25 -5.073 18.157 4.993 194 H CYS 26 H CYS 26 -4.780 16.050 3.453 195 HA CYS 26 HA CYS 26 -7.480 16.636 3.325 196 HB2 CYS 26 2HB CYS 26 -5.707 15.351 1.223 197 HB3 CYS 26 3HB CYS 26 -7.349 15.905 0.896 198 HG CYS 26 HG CYS 26 -5.319 18.177 2.305 199 H PHE 27 H PHE 27 -6.007 13.430 2.680 200 HA PHE 27 HA PHE 27 -8.315 11.910 2.366 201 HB2 PHE 27 2HB PHE 27 -6.045 11.049 1.877 202 HB3 PHE 27 3HB PHE 27 -5.655 11.055 3.595 203 HD1 PHE 27 HD2 PHE 27 -8.206 9.614 1.226 204 HD2 PHE 27 HD1 PHE 27 -5.886 9.029 4.767 205 HE1 PHE 27 HE2 PHE 27 -9.064 7.325 1.411 206 HE2 PHE 27 HE1 PHE 27 -6.756 6.738 4.942 207 HZ PHE 27 HZ PHE 27 -8.343 5.885 3.268 208 H GLN 28 H GLN 28 -6.537 12.709 5.297 209 HA GLN 28 HA GLN 28 -8.006 11.242 7.198 210 HB2 GLN 28 2HB GLN 28 -5.751 12.131 7.606 211 HB3 GLN 28 3HB GLN 28 -6.343 13.779 7.485 212 HG2 GLN 28 2HG GLN 28 -5.954 13.235 9.802 213 HG3 GLN 28 3HG GLN 28 -7.683 13.431 9.542 214 HE21 GLN 28 1HE2 GLN 28 -5.811 10.519 8.698 215 HE22 GLN 28 2HE2 GLN 28 -6.553 9.492 9.871 216 H LYS 29 H LYS 29 -8.694 14.376 5.640 217 HA LYS 29 HA LYS 29 -10.567 15.287 7.666 218 HB2 LYS 29 2HB LYS 29 -10.562 16.265 4.778 219 HB3 LYS 29 3HB LYS 29 -11.115 17.120 6.206 220 HG2 LYS 29 2HG LYS 29 -8.265 16.531 5.426 221 HG3 LYS 29 3HG LYS 29 -9.056 18.094 5.362 222 HD2 LYS 29 2HD LYS 29 -8.900 16.746 8.050 223 HD3 LYS 29 3HD LYS 29 -7.390 17.344 7.367 224 HE2 LYS 29 2HE LYS 29 -8.379 19.012 8.833 225 HE3 LYS 29 3HE LYS 29 -8.370 19.602 7.171 226 HZ1 LYS 29 3HZ LYS 29 -10.456 20.099 8.244 227 HZ2 LYS 29 1HZ LYS 29 -10.706 18.472 8.621 228 HZ3 LYS 29 2HZ LYS 29 -10.720 18.978 7.010 229 H GLY 30 H GLY 30 -10.699 12.894 5.282 230 HA2 GLY 30 2HA GLY 30 -12.605 11.386 5.320 231 HA3 GLY 30 3HA GLY 30 -13.671 12.787 5.343 232 H ASP 31 H ASP 31 -10.927 13.148 3.327 233 HA ASP 31 HA ASP 31 -12.590 12.934 0.920 234 HB2 ASP 31 2HB ASP 31 -9.783 14.084 1.316 235 HB3 ASP 31 3HB ASP 31 -10.678 14.103 -0.200 236 H TYR 32 H TYR 32 -12.671 10.637 0.670 237 HA TYR 32 HA TYR 32 -10.257 9.066 0.597 238 HB2 TYR 32 2HB TYR 32 -13.157 8.355 0.010 239 HB3 TYR 32 3HB TYR 32 -11.849 7.195 -0.197 240 HD1 TYR 32 HD1 TYR 32 -13.128 9.599 2.418 241 HD2 TYR 32 HD2 TYR 32 -11.418 5.760 1.634 242 HE1 TYR 32 HE1 TYR 32 -13.237 9.063 4.806 243 HE2 TYR 32 HE2 TYR 32 -11.535 5.222 4.029 244 HH TYR 32 HH TYR 32 -11.581 6.602 6.235 245 HA PRO 33 HA PRO 33 -10.874 9.042 -4.241 246 HB2 PRO 33 2HB PRO 33 -12.609 10.835 -5.405 247 HB3 PRO 33 3HB PRO 33 -13.090 9.200 -4.910 248 HG2 PRO 33 2HG PRO 33 -13.507 11.794 -3.456 249 HG3 PRO 33 3HG PRO 33 -14.647 10.451 -3.716 250 HD2 PRO 33 2HD PRO 33 -13.296 10.762 -1.383 251 HD3 PRO 33 3HD PRO 33 -13.719 9.159 -2.025 252 H GLN 34 H GLN 34 -11.592 12.323 -2.993 253 HA GLN 34 HA GLN 34 -9.957 13.787 -4.731 254 HB2 GLN 34 2HB GLN 34 -10.941 14.443 -1.927 255 HB3 GLN 34 3HB GLN 34 -10.133 15.608 -2.967 256 HG2 GLN 34 2HG GLN 34 -12.757 14.222 -3.595 257 HG3 GLN 34 3HG GLN 34 -12.589 15.863 -2.979 258 HE21 GLN 34 1HE2 GLN 34 -12.313 13.820 -5.771 259 HE22 GLN 34 2HE2 GLN 34 -12.055 15.078 -6.928 260 H ALA 35 H ALA 35 -9.143 11.973 -1.867 261 HA ALA 35 HA ALA 35 -6.685 12.993 -1.137 262 HB1 ALA 35 3HB ALA 35 -7.519 10.086 -1.242 263 HB2 ALA 35 1HB ALA 35 -7.723 11.198 0.110 264 HB3 ALA 35 2HB ALA 35 -6.104 10.711 -0.389 265 H MET 36 H MET 36 -7.426 10.623 -3.794 266 HA MET 36 HA MET 36 -4.727 10.014 -4.413 267 HB2 MET 36 2HB MET 36 -7.135 9.972 -6.287 268 HB3 MET 36 3HB MET 36 -5.547 9.355 -6.719 269 HG2 MET 36 2HG MET 36 -6.485 7.384 -6.090 270 HG3 MET 36 3HG MET 36 -5.969 7.904 -4.490 271 HE1 MET 36 3HE MET 36 -8.983 9.132 -6.777 272 HE2 MET 36 1HE MET 36 -10.280 8.132 -6.119 273 HE3 MET 36 2HE MET 36 -8.930 7.375 -6.968 274 H LYS 37 H LYS 37 -6.795 12.645 -5.380 275 HA LYS 37 HA LYS 37 -5.121 13.673 -7.488 276 HB2 LYS 37 2HB LYS 37 -7.432 15.084 -6.073 277 HB3 LYS 37 3HB LYS 37 -6.783 15.431 -7.676 278 HG2 LYS 37 2HG LYS 37 -7.518 13.110 -8.387 279 HG3 LYS 37 3HG LYS 37 -8.317 12.964 -6.823 280 HD2 LYS 37 2HD LYS 37 -9.795 14.844 -7.343 281 HD3 LYS 37 3HD LYS 37 -8.938 15.136 -8.862 282 HE2 LYS 37 2HE LYS 37 -10.517 12.634 -8.179 283 HE3 LYS 37 3HE LYS 37 -11.055 13.938 -9.239 284 HZ1 LYS 37 3HZ LYS 37 -8.714 12.168 -9.705 285 HZ2 LYS 37 1HZ LYS 37 -9.193 13.439 -10.714 286 HZ3 LYS 37 2HZ LYS 37 -10.196 12.093 -10.517 287 H HIS 38 H HIS 38 -5.773 14.499 -4.097 288 HA HIS 38 HA HIS 38 -3.952 16.704 -3.915 289 HB2 HIS 38 2HB HIS 38 -5.251 14.950 -1.799 290 HB3 HIS 38 3HB HIS 38 -4.138 16.247 -1.383 291 HD1 HIS 38 HD1 HIS 38 -4.934 18.654 -2.645 292 HD2 HIS 38 HD2 HIS 38 -7.837 15.837 -1.689 293 HE1 HIS 38 HE1 HIS 38 -7.102 19.919 -2.539 294 HE2 HIS 38 HE2 HIS 38 -8.849 18.160 -2.174 295 H TYR 39 H TYR 39 -3.551 13.270 -3.834 296 HA TYR 39 HA TYR 39 -0.743 13.437 -3.071 297 HB2 TYR 39 2HB TYR 39 -2.566 11.122 -3.791 298 HB3 TYR 39 3HB TYR 39 -0.822 10.912 -3.689 299 HD1 TYR 39 HD2 TYR 39 0.340 11.519 -1.454 300 HD2 TYR 39 HD1 TYR 39 -3.882 11.025 -1.783 301 HE1 TYR 39 HE2 TYR 39 0.181 11.111 0.965 302 HE2 TYR 39 HE1 TYR 39 -4.043 10.625 0.626 303 HH TYR 39 HH TYR 39 -2.619 9.830 2.430 304 H THR 40 H THR 40 -2.624 13.464 -6.069 305 HA THR 40 HA THR 40 -0.624 12.472 -7.823 306 HB THR 40 HB THR 40 -2.790 14.526 -8.523 307 HG1 THR 40 HG1 THR 40 -2.952 11.879 -7.938 308 HG21 THR 40 3HG2 THR 40 -1.032 14.389 -10.270 309 HG22 THR 40 1HG2 THR 40 -2.536 13.666 -10.847 310 HG23 THR 40 2HG2 THR 40 -1.202 12.634 -10.322 311 H GLU 41 H GLU 41 -1.451 15.772 -6.787 312 HA GLU 41 HA GLU 41 0.631 17.190 -8.063 313 HB2 GLU 41 2HB GLU 41 0.180 18.967 -6.346 314 HB3 GLU 41 3HB GLU 41 -1.288 18.356 -7.102 315 HG2 GLU 41 2HG GLU 41 -1.739 16.947 -5.130 316 HG3 GLU 41 3HG GLU 41 -0.265 17.534 -4.365 317 H ALA 42 H ALA 42 0.545 15.341 -5.047 318 HA ALA 42 HA ALA 42 3.069 16.133 -4.009 319 HB1 ALA 42 3HB ALA 42 1.341 15.138 -2.586 320 HB2 ALA 42 1HB ALA 42 2.854 14.241 -2.476 321 HB3 ALA 42 2HB ALA 42 1.511 13.595 -3.425 322 H ILE 43 H ILE 43 2.047 13.439 -6.122 323 HA ILE 43 HA ILE 43 4.547 12.085 -6.207 324 HB ILE 43 HB ILE 43 1.967 11.899 -7.764 325 HG12 ILE 43 2HG1 ILE 43 2.289 9.417 -7.271 326 HG13 ILE 43 3HG1 ILE 43 3.769 9.828 -6.416 327 HG21 ILE 43 1HG2 ILE 43 2.876 10.288 -9.425 328 HG22 ILE 43 2HG2 ILE 43 4.513 10.672 -8.888 329 HG23 ILE 43 3HG2 ILE 43 3.523 11.917 -9.650 330 HD11 ILE 43 3HD1 ILE 43 1.915 9.433 -4.904 331 HD12 ILE 43 1HD1 ILE 43 0.988 10.722 -5.678 332 HD13 ILE 43 2HD1 ILE 43 2.470 11.103 -4.792 333 H LYS 44 H LYS 44 3.169 14.741 -8.111 334 HA LYS 44 HA LYS 44 5.149 14.820 -10.146 335 HB2 LYS 44 2HB LYS 44 3.446 17.106 -9.059 336 HB3 LYS 44 3HB LYS 44 4.372 17.160 -10.557 337 HG2 LYS 44 2HG LYS 44 2.026 15.342 -9.954 338 HG3 LYS 44 3HG LYS 44 2.027 16.725 -11.049 339 HD2 LYS 44 2HD LYS 44 3.519 15.587 -12.589 340 HD3 LYS 44 3HD LYS 44 3.787 14.273 -11.443 341 HE2 LYS 44 2HE LYS 44 1.390 13.640 -11.651 342 HE3 LYS 44 3HE LYS 44 1.185 14.913 -12.860 343 HZ1 LYS 44 3HZ LYS 44 2.771 13.809 -14.281 344 HZ2 LYS 44 1HZ LYS 44 1.553 12.720 -13.843 345 HZ3 LYS 44 2HZ LYS 44 3.069 12.627 -13.104 346 H ARG 45 H ARG 45 5.227 15.828 -6.853 347 HA ARG 45 HA ARG 45 7.706 17.366 -7.120 348 HB2 ARG 45 2HB ARG 45 5.939 16.752 -4.710 349 HB3 ARG 45 3HB ARG 45 7.383 17.759 -4.658 350 HG2 ARG 45 2HG ARG 45 4.930 18.344 -6.336 351 HG3 ARG 45 3HG ARG 45 5.282 19.079 -4.772 352 HD2 ARG 45 2HD ARG 45 7.299 20.115 -5.672 353 HD3 ARG 45 3HD ARG 45 7.065 19.291 -7.212 354 HE ARG 45 HE ARG 45 4.776 20.738 -6.895 355 HH11 ARG 45 1HH1 ARG 45 8.203 21.567 -6.904 356 HH12 ARG 45 2HH1 ARG 45 7.934 23.166 -7.530 357 HH21 ARG 45 1HH2 ARG 45 4.450 22.844 -7.731 358 HH22 ARG 45 2HH2 ARG 45 5.815 23.886 -7.995 359 H ASN 46 H ASN 46 6.519 14.293 -5.815 360 HA ASN 46 HA ASN 46 9.283 13.360 -5.396 361 HB2 ASN 46 2HB ASN 46 8.479 12.181 -3.260 362 HB3 ASN 46 3HB ASN 46 8.740 13.910 -3.175 363 HD21 ASN 46 1HD2 ASN 46 5.928 11.832 -4.094 364 HD22 ASN 46 2HD2 ASN 46 4.830 12.666 -3.075 365 HA PRO 47 HA PRO 47 6.621 10.408 -7.881 366 HB2 PRO 47 2HB PRO 47 8.159 10.187 -10.109 367 HB3 PRO 47 3HB PRO 47 7.136 11.610 -9.819 368 HG2 PRO 47 2HG PRO 47 10.086 11.301 -9.362 369 HG3 PRO 47 3HG PRO 47 9.205 12.643 -10.128 370 HD2 PRO 47 2HD PRO 47 10.037 12.704 -7.514 371 HD3 PRO 47 3HD PRO 47 8.612 13.589 -8.100 372 H LYS 48 H LYS 48 9.654 10.189 -6.418 373 HA LYS 48 HA LYS 48 10.142 7.381 -7.140 374 HB2 LYS 48 2HB LYS 48 11.881 9.242 -5.455 375 HB3 LYS 48 3HB LYS 48 12.332 7.666 -6.097 376 HG2 LYS 48 2HG LYS 48 11.765 10.157 -7.714 377 HG3 LYS 48 3HG LYS 48 13.354 9.446 -7.405 378 HD2 LYS 48 2HD LYS 48 12.706 7.420 -8.659 379 HD3 LYS 48 3HD LYS 48 11.091 8.089 -8.928 380 HE2 LYS 48 2HE LYS 48 12.384 8.408 -10.923 381 HE3 LYS 48 3HE LYS 48 12.155 9.983 -10.169 382 HZ1 LYS 48 3HZ LYS 48 14.601 8.317 -9.922 383 HZ2 LYS 48 1HZ LYS 48 14.374 9.865 -9.282 384 HZ3 LYS 48 2HZ LYS 48 14.423 9.644 -10.955 385 H ASP 49 H ASP 49 8.707 9.266 -4.649 386 HA ASP 49 HA ASP 49 9.245 7.537 -2.432 387 HB2 ASP 49 2HB ASP 49 7.372 9.875 -2.841 388 HB3 ASP 49 3HB ASP 49 7.183 8.857 -1.418 389 H ALA 50 H ALA 50 8.746 5.522 -2.925 390 HA ALA 50 HA ALA 50 6.449 4.408 -4.048 391 HB1 ALA 50 3HB ALA 50 8.363 3.193 -2.030 392 HB2 ALA 50 1HB ALA 50 8.555 3.208 -3.784 393 HB3 ALA 50 2HB ALA 50 7.230 2.304 -3.055 394 H LYS 51 H LYS 51 7.027 5.518 -0.794 395 HA LYS 51 HA LYS 51 4.870 4.113 0.458 396 HB2 LYS 51 2HB LYS 51 5.275 5.501 2.423 397 HB3 LYS 51 3HB LYS 51 6.779 4.866 1.794 398 HG2 LYS 51 2HG LYS 51 5.903 7.660 1.082 399 HG3 LYS 51 3HG LYS 51 6.648 7.337 2.641 400 HD2 LYS 51 2HD LYS 51 7.935 6.794 -0.068 401 HD3 LYS 51 3HD LYS 51 8.275 8.170 0.971 402 HE2 LYS 51 2HE LYS 51 9.056 6.556 2.745 403 HE3 LYS 51 3HE LYS 51 8.858 5.258 1.567 404 HZ1 LYS 51 3HZ LYS 51 10.461 6.463 0.125 405 HZ2 LYS 51 1HZ LYS 51 11.130 5.920 1.580 406 HZ3 LYS 51 2HZ LYS 51 10.739 7.554 1.386 407 H LEU 52 H LEU 52 5.077 7.082 -1.343 408 HA LEU 52 HA LEU 52 2.508 8.181 -0.587 409 HB2 LEU 52 2HB LEU 52 4.527 8.733 -2.775 410 HB3 LEU 52 3HB LEU 52 2.920 9.406 -2.937 411 HG LEU 52 HG LEU 52 4.715 10.954 -1.962 412 HD11 LEU 52 1HD1 LEU 52 3.221 12.028 -0.354 413 HD12 LEU 52 2HD1 LEU 52 2.209 10.581 -0.292 414 HD13 LEU 52 3HD1 LEU 52 2.340 11.508 -1.789 415 HD21 LEU 52 3HD2 LEU 52 4.337 9.285 0.552 416 HD22 LEU 52 1HD2 LEU 52 5.239 10.798 0.421 417 HD23 LEU 52 2HD2 LEU 52 5.802 9.363 -0.428 418 H TYR 53 H TYR 53 3.748 6.077 -3.131 419 HA TYR 53 HA TYR 53 1.297 5.650 -4.533 420 HB2 TYR 53 2HB TYR 53 3.873 4.008 -4.426 421 HB3 TYR 53 3HB TYR 53 2.531 3.661 -5.514 422 HD1 TYR 53 HD1 TYR 53 1.846 5.476 -7.210 423 HD2 TYR 53 HD2 TYR 53 5.539 5.616 -5.078 424 HE1 TYR 53 HE1 TYR 53 2.753 7.030 -8.878 425 HE2 TYR 53 HE2 TYR 53 6.452 7.172 -6.749 426 HH TYR 53 HH TYR 53 6.072 7.803 -9.094 427 H SER 54 H SER 54 2.954 3.962 -1.912 428 HA SER 54 HA SER 54 1.253 1.677 -1.717 429 HB2 SER 54 2HB SER 54 3.545 1.591 -0.856 430 HB3 SER 54 3HB SER 54 3.218 2.897 0.285 431 HG SER 54 HG SER 54 1.512 0.726 0.461 432 H ASN 55 H ASN 55 1.273 4.882 -0.296 433 HA ASN 55 HA ASN 55 -0.689 4.671 1.683 434 HB2 ASN 55 2HB ASN 55 0.710 6.710 1.248 435 HB3 ASN 55 3HB ASN 55 -0.188 7.000 -0.239 436 HD21 ASN 55 1HD2 ASN 55 -0.180 7.360 3.175 437 HD22 ASN 55 2HD2 ASN 55 -1.670 8.212 3.296 438 H ARG 56 H ARG 56 -0.939 5.262 -1.823 439 HA ARG 56 HA ARG 56 -3.797 5.527 -1.843 440 HB2 ARG 56 2HB ARG 56 -1.950 5.053 -4.226 441 HB3 ARG 56 3HB ARG 56 -3.617 5.613 -4.286 442 HG2 ARG 56 2HG ARG 56 -1.154 7.109 -3.416 443 HG3 ARG 56 3HG ARG 56 -2.371 7.564 -4.607 444 HD2 ARG 56 2HD ARG 56 -2.654 7.575 -1.591 445 HD3 ARG 56 3HD ARG 56 -2.610 8.965 -2.673 446 HE ARG 56 HE ARG 56 -4.761 7.826 -3.611 447 HH11 ARG 56 1HH1 ARG 56 -3.890 8.102 -0.224 448 HH12 ARG 56 2HH1 ARG 56 -5.534 8.114 0.326 449 HH21 ARG 56 1HH2 ARG 56 -6.951 7.849 -2.852 450 HH22 ARG 56 2HH2 ARG 56 -7.253 7.973 -1.153 451 H ALA 57 H ALA 57 -1.511 2.937 -2.588 452 HA ALA 57 HA ALA 57 -3.286 0.979 -3.532 453 HB1 ALA 57 3HB ALA 57 -0.830 0.808 -3.703 454 HB2 ALA 57 1HB ALA 57 -1.518 -0.634 -2.953 455 HB3 ALA 57 2HB ALA 57 -0.715 0.584 -1.957 456 H ALA 58 H ALA 58 -2.410 1.943 -0.248 457 HA ALA 58 HA ALA 58 -3.845 -0.051 1.182 458 HB1 ALA 58 3HB ALA 58 -2.105 1.335 2.227 459 HB2 ALA 58 1HB ALA 58 -3.623 1.460 3.117 460 HB3 ALA 58 2HB ALA 58 -3.112 2.771 2.046 461 H CYS 59 H CYS 59 -4.743 3.153 -0.069 462 HA CYS 59 HA CYS 59 -7.350 3.214 1.145 463 HB2 CYS 59 2HB CYS 59 -6.186 4.911 -1.102 464 HB3 CYS 59 3HB CYS 59 -7.641 5.282 -0.172 465 HG CYS 59 HG CYS 59 -4.839 4.805 1.639 466 H TYR 60 H TYR 60 -6.056 2.047 -1.908 467 HA TYR 60 HA TYR 60 -8.398 2.151 -3.499 468 HB2 TYR 60 2HB TYR 60 -5.813 0.587 -3.766 469 HB3 TYR 60 3HB TYR 60 -7.120 0.383 -4.926 470 HD1 TYR 60 HD1 TYR 60 -8.002 3.379 -4.914 471 HD2 TYR 60 HD2 TYR 60 -4.193 1.480 -5.351 472 HE1 TYR 60 HE1 TYR 60 -7.201 5.284 -6.230 473 HE2 TYR 60 HE2 TYR 60 -3.395 3.401 -6.667 474 HH TYR 60 HH TYR 60 -4.324 5.242 -8.020 475 H THR 61 H THR 61 -7.403 -0.094 -1.069 476 HA THR 61 HA THR 61 -9.071 -2.284 -1.694 477 HB THR 61 HB THR 61 -8.944 -2.846 0.715 478 HG1 THR 61 HG1 THR 61 -7.315 -0.952 1.638 479 HG21 THR 61 3HG2 THR 61 -6.979 -3.397 -0.694 480 HG22 THR 61 1HG2 THR 61 -6.485 -2.994 0.952 481 HG23 THR 61 2HG2 THR 61 -6.277 -1.815 -0.344 482 H LYS 62 H LYS 62 -9.631 0.727 0.134 483 HA LYS 62 HA LYS 62 -12.315 0.180 0.979 484 HB2 LYS 62 2HB LYS 62 -10.879 2.862 0.673 485 HB3 LYS 62 3HB LYS 62 -12.385 2.623 1.550 486 HG2 LYS 62 2HG LYS 62 -9.682 1.457 2.280 487 HG3 LYS 62 3HG LYS 62 -10.482 2.811 3.077 488 HD2 LYS 62 2HD LYS 62 -11.456 -0.070 3.024 489 HD3 LYS 62 3HD LYS 62 -10.723 0.762 4.395 490 HE2 LYS 62 2HE LYS 62 -12.637 2.334 4.457 491 HE3 LYS 62 3HE LYS 62 -13.372 1.481 3.097 492 HZ1 LYS 62 3HZ LYS 62 -12.791 0.305 5.763 493 HZ2 LYS 62 1HZ LYS 62 -13.487 -0.512 4.461 494 HZ3 LYS 62 2HZ LYS 62 -14.315 0.761 5.196 495 H LEU 63 H LEU 63 -10.871 1.625 -1.831 496 HA LEU 63 HA LEU 63 -13.350 2.685 -2.921 497 HB2 LEU 63 2HB LEU 63 -10.554 2.575 -4.135 498 HB3 LEU 63 3HB LEU 63 -11.907 3.531 -4.723 499 HG LEU 63 HG LEU 63 -10.440 3.948 -2.087 500 HD11 LEU 63 1HD1 LEU 63 -10.458 5.640 -4.604 501 HD12 LEU 63 2HD1 LEU 63 -9.112 4.678 -3.985 502 HD13 LEU 63 3HD1 LEU 63 -9.685 6.073 -3.075 503 HD21 LEU 63 3HD2 LEU 63 -11.829 5.993 -1.820 504 HD22 LEU 63 1HD2 LEU 63 -12.783 4.510 -1.763 505 HD23 LEU 63 2HD2 LEU 63 -12.789 5.505 -3.219 506 H LEU 64 H LEU 64 -12.105 -0.391 -2.735 507 HA LEU 64 HA LEU 64 -12.402 -2.353 -3.822 508 HB2 LEU 64 2HB LEU 64 -14.603 -0.819 -5.254 509 HB3 LEU 64 3HB LEU 64 -14.292 -2.513 -5.566 510 HG LEU 64 HG LEU 64 -16.180 -2.366 -4.079 511 HD11 LEU 64 1HD1 LEU 64 -13.790 -3.277 -2.456 512 HD12 LEU 64 2HD1 LEU 64 -14.665 -4.238 -3.650 513 HD13 LEU 64 3HD1 LEU 64 -15.477 -3.720 -2.176 514 HD21 LEU 64 3HD2 LEU 64 -14.503 -0.733 -2.143 515 HD22 LEU 64 1HD2 LEU 64 -16.155 -1.298 -1.875 516 HD23 LEU 64 2HD2 LEU 64 -15.822 -0.119 -3.142 517 H GLU 65 H GLU 65 -10.708 -0.071 -4.970 518 HA GLU 65 HA GLU 65 -10.224 -0.971 -7.710 519 HB2 GLU 65 2HB GLU 65 -9.774 1.536 -6.186 520 HB3 GLU 65 3HB GLU 65 -8.333 1.049 -7.066 521 HG2 GLU 65 2HG GLU 65 -9.594 2.571 -8.430 522 HG3 GLU 65 3HG GLU 65 -9.648 0.973 -9.161 523 H PHE 66 H PHE 66 -9.724 -2.922 -5.823 524 HA PHE 66 HA PHE 66 -7.147 -3.150 -4.772 525 HB2 PHE 66 2HB PHE 66 -8.963 -5.356 -5.823 526 HB3 PHE 66 3HB PHE 66 -7.508 -5.645 -4.886 527 HD1 PHE 66 HD2 PHE 66 -10.970 -4.295 -4.734 528 HD2 PHE 66 HD1 PHE 66 -7.537 -5.471 -2.479 529 HE1 PHE 66 HE2 PHE 66 -12.308 -4.294 -2.670 530 HE2 PHE 66 HE1 PHE 66 -8.889 -5.478 -0.426 531 HZ PHE 66 HZ PHE 66 -11.275 -4.890 -0.522 532 H GLN 67 H GLN 67 -8.329 -3.687 -8.053 533 HA GLN 67 HA GLN 67 -6.181 -4.980 -9.265 534 HB2 GLN 67 2HB GLN 67 -8.033 -2.833 -10.380 535 HB3 GLN 67 3HB GLN 67 -6.907 -3.747 -11.376 536 HG2 GLN 67 2HG GLN 67 -9.214 -4.906 -9.799 537 HG3 GLN 67 3HG GLN 67 -9.183 -4.623 -11.536 538 HE21 GLN 67 1HE2 GLN 67 -7.904 -6.578 -8.949 539 HE22 GLN 67 2HE2 GLN 67 -7.303 -7.855 -9.936 540 H LEU 68 H LEU 68 -6.665 -1.528 -8.534 541 HA LEU 68 HA LEU 68 -4.187 -0.688 -9.761 542 HB2 LEU 68 2HB LEU 68 -5.984 0.889 -7.873 543 HB3 LEU 68 3HB LEU 68 -4.683 1.540 -8.855 544 HG LEU 68 HG LEU 68 -7.395 0.536 -9.770 545 HD11 LEU 68 1HD1 LEU 68 -7.593 2.763 -10.783 546 HD12 LEU 68 2HD1 LEU 68 -5.979 3.183 -10.203 547 HD13 LEU 68 3HD1 LEU 68 -7.279 2.873 -9.051 548 HD21 LEU 68 3HD2 LEU 68 -6.684 0.865 -12.120 549 HD22 LEU 68 1HD2 LEU 68 -5.844 -0.473 -11.334 550 HD23 LEU 68 2HD2 LEU 68 -5.017 1.069 -11.576 551 H ALA 69 H ALA 69 -5.314 -1.515 -6.517 552 HA ALA 69 HA ALA 69 -3.009 -0.789 -5.037 553 HB1 ALA 69 3HB ALA 69 -5.144 -1.365 -3.965 554 HB2 ALA 69 1HB ALA 69 -3.830 -2.343 -3.314 555 HB3 ALA 69 2HB ALA 69 -4.964 -3.045 -4.473 556 H LEU 70 H LEU 70 -3.719 -3.570 -7.052 557 HA LEU 70 HA LEU 70 -1.332 -5.072 -6.414 558 HB2 LEU 70 2HB LEU 70 -3.288 -5.265 -8.746 559 HB3 LEU 70 3HB LEU 70 -1.991 -6.414 -8.456 560 HG LEU 70 HG LEU 70 -4.267 -5.910 -6.506 561 HD11 LEU 70 1HD1 LEU 70 -4.011 -8.176 -8.505 562 HD12 LEU 70 2HD1 LEU 70 -5.178 -6.854 -8.567 563 HD13 LEU 70 3HD1 LEU 70 -5.252 -8.026 -7.255 564 HD21 LEU 70 3HD2 LEU 70 -3.539 -8.000 -5.437 565 HD22 LEU 70 1HD2 LEU 70 -2.266 -6.780 -5.417 566 HD23 LEU 70 2HD2 LEU 70 -2.187 -8.116 -6.568 567 H LYS 71 H LYS 71 -2.350 -3.238 -9.350 568 HA LYS 71 HA LYS 71 0.136 -3.755 -10.656 569 HB2 LYS 71 2HB LYS 71 -0.696 -2.436 -12.528 570 HB3 LYS 71 3HB LYS 71 -1.903 -3.579 -11.963 571 HG2 LYS 71 2HG LYS 71 -3.137 -1.782 -10.852 572 HG3 LYS 71 3HG LYS 71 -1.892 -0.621 -11.302 573 HD2 LYS 71 2HD LYS 71 -3.783 -0.357 -12.788 574 HD3 LYS 71 3HD LYS 71 -2.435 -1.009 -13.712 575 HE2 LYS 71 2HE LYS 71 -4.655 -2.748 -12.597 576 HE3 LYS 71 3HE LYS 71 -4.740 -1.996 -14.186 577 HZ1 LYS 71 3HZ LYS 71 -2.643 -3.197 -14.735 578 HZ2 LYS 71 1HZ LYS 71 -3.971 -4.206 -14.449 579 HZ3 LYS 71 2HZ LYS 71 -2.780 -4.028 -13.270 580 H ASP 72 H ASP 72 -1.141 -0.853 -9.045 581 HA ASP 72 HA ASP 72 0.969 0.921 -9.726 582 HB2 ASP 72 2HB ASP 72 -1.167 1.737 -8.805 583 HB3 ASP 72 3HB ASP 72 -0.862 0.908 -7.282 584 H CYS 73 H CYS 73 0.561 -1.459 -7.170 585 HA CYS 73 HA CYS 73 2.981 -0.837 -5.753 586 HB2 CYS 73 2HB CYS 73 1.084 -1.887 -4.614 587 HB3 CYS 73 3HB CYS 73 1.193 -3.303 -5.658 588 HG CYS 73 HG CYS 73 2.946 -2.497 -2.925 589 H GLU 74 H GLU 74 2.145 -3.074 -8.417 590 HA GLU 74 HA GLU 74 4.563 -4.640 -8.170 591 HB2 GLU 74 2HB GLU 74 3.852 -5.938 -9.991 592 HB3 GLU 74 3HB GLU 74 2.360 -5.470 -9.191 593 HG2 GLU 74 2HG GLU 74 1.974 -3.749 -10.919 594 HG3 GLU 74 3HG GLU 74 3.482 -4.193 -11.704 595 H GLU 75 H GLU 75 3.706 -1.757 -9.969 596 HA GLU 75 HA GLU 75 6.151 -1.803 -11.571 597 HB2 GLU 75 2HB GLU 75 5.377 0.360 -12.458 598 HB3 GLU 75 3HB GLU 75 4.117 -0.863 -12.560 599 HG2 GLU 75 2HG GLU 75 3.035 0.095 -10.540 600 HG3 GLU 75 3HG GLU 75 4.279 1.337 -10.476 601 H CYS 76 H CYS 76 4.959 -0.416 -8.622 602 HA CYS 76 HA CYS 76 6.706 1.710 -8.158 603 HB2 CYS 76 2HB CYS 76 4.609 1.272 -6.931 604 HB3 CYS 76 3HB CYS 76 5.361 -0.106 -6.129 605 HG CYS 76 HG CYS 76 7.394 1.659 -5.030 606 H ILE 77 H ILE 77 7.230 -1.721 -7.841 607 HA ILE 77 HA ILE 77 9.371 -1.941 -6.103 608 HB ILE 77 HB ILE 77 8.213 -3.912 -7.149 609 HG12 ILE 77 2HG1 ILE 77 11.259 -3.829 -7.378 610 HG13 ILE 77 3HG1 ILE 77 10.313 -4.339 -5.990 611 HG21 ILE 77 1HG2 ILE 77 8.841 -4.705 -9.396 612 HG22 ILE 77 2HG2 ILE 77 9.855 -3.282 -9.632 613 HG23 ILE 77 3HG2 ILE 77 8.107 -3.103 -9.481 614 HD11 ILE 77 3HD1 ILE 77 11.318 -6.218 -7.089 615 HD12 ILE 77 1HD1 ILE 77 10.552 -5.785 -8.617 616 HD13 ILE 77 2HD1 ILE 77 9.563 -6.306 -7.247 617 H GLN 78 H GLN 78 9.338 -0.757 -9.437 618 HA GLN 78 HA GLN 78 12.100 -1.083 -10.034 619 HB2 GLN 78 2HB GLN 78 10.038 0.812 -11.243 620 HB3 GLN 78 3HB GLN 78 11.629 0.503 -11.932 621 HG2 GLN 78 2HG GLN 78 9.449 -1.577 -11.548 622 HG3 GLN 78 3HG GLN 78 9.843 -0.780 -13.071 623 HE21 GLN 78 1HE2 GLN 78 9.910 -3.647 -12.300 624 HE22 GLN 78 2HE2 GLN 78 11.504 -4.187 -12.678 625 H LEU 79 H LEU 79 10.296 1.412 -8.437 626 HA LEU 79 HA LEU 79 12.480 3.332 -8.262 627 HB2 LEU 79 2HB LEU 79 9.789 3.319 -6.812 628 HB3 LEU 79 3HB LEU 79 10.872 4.693 -7.008 629 HG LEU 79 HG LEU 79 9.373 3.313 -9.266 630 HD11 LEU 79 1HD1 LEU 79 7.992 5.346 -9.372 631 HD12 LEU 79 2HD1 LEU 79 8.806 5.975 -7.937 632 HD13 LEU 79 3HD1 LEU 79 7.823 4.512 -7.827 633 HD21 LEU 79 3HD2 LEU 79 11.120 5.792 -9.327 634 HD22 LEU 79 1HD2 LEU 79 10.119 5.218 -10.665 635 HD23 LEU 79 2HD2 LEU 79 11.464 4.238 -10.089 636 H GLU 80 H GLU 80 10.705 1.064 -6.218 637 HA GLU 80 HA GLU 80 12.808 1.009 -4.191 638 HB2 GLU 80 2HB GLU 80 11.402 2.880 -3.451 639 HB3 GLU 80 3HB GLU 80 9.955 1.906 -3.637 640 HG2 GLU 80 2HG GLU 80 10.486 2.127 -1.294 641 HG3 GLU 80 3HG GLU 80 10.696 0.448 -1.786 642 HA PRO 81 HA PRO 81 11.038 -3.201 -4.759 643 HB2 PRO 81 2HB PRO 81 13.212 -4.596 -3.849 644 HB3 PRO 81 3HB PRO 81 13.125 -3.906 -5.482 645 HG2 PRO 81 2HG PRO 81 14.470 -2.779 -3.043 646 HG3 PRO 81 3HG PRO 81 15.099 -2.924 -4.702 647 HD2 PRO 81 2HD PRO 81 14.084 -0.594 -3.764 648 HD3 PRO 81 3HD PRO 81 13.886 -1.084 -5.468 649 H THR 82 H THR 82 12.338 -1.752 -1.799 650 HA THR 82 HA THR 82 11.382 -4.050 -0.185 651 HB THR 82 HB THR 82 12.971 -3.255 1.571 652 HG1 THR 82 HG1 THR 82 12.959 -1.012 0.270 653 HG21 THR 82 3HG2 THR 82 15.065 -3.883 0.446 654 HG22 THR 82 1HG2 THR 82 14.318 -3.639 -1.139 655 HG23 THR 82 2HG2 THR 82 13.756 -4.938 -0.082 656 H PHE 83 H PHE 83 9.784 -1.470 -1.103 657 HA PHE 83 HA PHE 83 9.064 -0.250 1.394 658 HB2 PHE 83 2HB PHE 83 7.287 0.899 0.241 659 HB3 PHE 83 3HB PHE 83 8.691 0.899 -0.806 660 HD1 PHE 83 HD1 PHE 83 8.729 -1.148 -2.572 661 HD2 PHE 83 HD2 PHE 83 5.228 0.420 -0.714 662 HE1 PHE 83 HE1 PHE 83 7.364 -2.028 -4.427 663 HE2 PHE 83 HE2 PHE 83 3.855 -0.449 -2.582 664 HZ PHE 83 HZ PHE 83 4.930 -1.673 -4.431 665 H ILE 84 H ILE 84 8.142 -1.340 2.974 666 HA ILE 84 HA ILE 84 7.513 -4.121 2.520 667 HB ILE 84 HB ILE 84 7.424 -2.670 5.205 668 HG12 ILE 84 2HG1 ILE 84 9.901 -3.902 3.903 669 HG13 ILE 84 3HG1 ILE 84 9.599 -2.177 4.047 670 HG21 ILE 84 1HG2 ILE 84 8.021 -5.561 4.478 671 HG22 ILE 84 2HG2 ILE 84 6.519 -4.953 5.178 672 HG23 ILE 84 3HG2 ILE 84 8.012 -4.881 6.108 673 HD11 ILE 84 3HD1 ILE 84 9.976 -4.103 6.329 674 HD12 ILE 84 1HD1 ILE 84 9.630 -2.378 6.485 675 HD13 ILE 84 2HD1 ILE 84 11.134 -2.912 5.738 676 H LYS 85 H LYS 85 5.807 -1.296 3.749 677 HA LYS 85 HA LYS 85 3.425 -2.756 4.496 678 HB2 LYS 85 2HB LYS 85 4.191 0.188 4.591 679 HB3 LYS 85 3HB LYS 85 2.550 -0.341 4.946 680 HG2 LYS 85 2HG LYS 85 3.726 -0.062 7.041 681 HG3 LYS 85 3HG LYS 85 3.443 -1.782 6.786 682 HD2 LYS 85 2HD LYS 85 5.835 -1.920 5.897 683 HD3 LYS 85 3HD LYS 85 6.061 -0.268 6.465 684 HE2 LYS 85 2HE LYS 85 5.321 -2.649 8.194 685 HE3 LYS 85 3HE LYS 85 6.924 -1.930 8.077 686 HZ1 LYS 85 3HZ LYS 85 4.491 -0.575 9.094 687 HZ2 LYS 85 1HZ LYS 85 6.032 0.112 9.000 688 HZ3 LYS 85 2HZ LYS 85 5.747 -1.189 10.037 689 H GLY 86 H GLY 86 4.625 -1.685 1.546 690 HA2 GLY 86 2HA GLY 86 2.059 -1.352 0.220 691 HA3 GLY 86 3HA GLY 86 3.631 -1.547 -0.549 692 H TYR 87 H TYR 87 4.359 -3.938 0.866 693 HA TYR 87 HA TYR 87 3.017 -5.960 -0.669 694 HB2 TYR 87 2HB TYR 87 5.140 -6.123 1.508 695 HB3 TYR 87 3HB TYR 87 4.502 -7.546 0.687 696 HD1 TYR 87 HD2 TYR 87 4.901 -7.871 -1.770 697 HD2 TYR 87 HD1 TYR 87 6.728 -4.655 0.368 698 HE1 TYR 87 HE2 TYR 87 6.450 -7.505 -3.641 699 HE2 TYR 87 HE1 TYR 87 8.272 -4.284 -1.505 700 HH TYR 87 HH TYR 87 9.198 -5.492 -3.413 701 H THR 88 H THR 88 2.663 -4.735 2.594 702 HA THR 88 HA THR 88 0.999 -6.739 3.689 703 HB THR 88 HB THR 88 0.865 -3.728 4.234 704 HG1 THR 88 HG1 THR 88 2.697 -5.716 5.055 705 HG21 THR 88 3HG2 THR 88 0.131 -4.410 6.505 706 HG22 THR 88 1HG2 THR 88 0.162 -6.102 6.005 707 HG23 THR 88 2HG2 THR 88 -0.994 -4.986 5.274 708 H ARG 89 H ARG 89 0.348 -3.977 1.535 709 HA ARG 89 HA ARG 89 -2.554 -4.264 1.617 710 HB2 ARG 89 2HB ARG 89 -1.095 -2.513 -0.398 711 HB3 ARG 89 3HB ARG 89 -2.684 -2.277 0.316 712 HG2 ARG 89 2HG ARG 89 0.004 -1.859 1.618 713 HG3 ARG 89 3HG ARG 89 -1.170 -0.620 1.196 714 HD2 ARG 89 2HD ARG 89 -2.610 -1.232 2.995 715 HD3 ARG 89 3HD ARG 89 -1.792 -2.781 3.237 716 HE ARG 89 HE ARG 89 -0.058 -0.526 3.634 717 HH11 ARG 89 1HH1 ARG 89 -2.448 -2.545 5.242 718 HH12 ARG 89 2HH1 ARG 89 -1.836 -2.215 6.831 719 HH21 ARG 89 1HH2 ARG 89 0.781 -0.168 5.716 720 HH22 ARG 89 2HH2 ARG 89 0.006 -0.864 7.102 721 H LYS 90 H LYS 90 0.119 -5.057 -0.556 722 HA LYS 90 HA LYS 90 -1.152 -6.005 -2.822 723 HB2 LYS 90 2HB LYS 90 1.332 -5.839 -2.576 724 HB3 LYS 90 3HB LYS 90 1.305 -7.151 -1.405 725 HG2 LYS 90 2HG LYS 90 1.992 -8.228 -3.378 726 HG3 LYS 90 3HG LYS 90 0.265 -8.582 -3.318 727 HD2 LYS 90 2HD LYS 90 0.684 -7.956 -5.568 728 HD3 LYS 90 3HD LYS 90 -0.052 -6.524 -4.835 729 HE2 LYS 90 2HE LYS 90 2.151 -5.495 -4.566 730 HE3 LYS 90 3HE LYS 90 2.941 -6.945 -5.180 731 HZ1 LYS 90 3HZ LYS 90 1.815 -6.590 -7.297 732 HZ2 LYS 90 1HZ LYS 90 2.812 -5.289 -6.883 733 HZ3 LYS 90 2HZ LYS 90 1.136 -5.162 -6.706 734 H ALA 91 H ALA 91 -0.267 -7.723 0.146 735 HA ALA 91 HA ALA 91 -1.351 -10.247 -0.559 736 HB1 ALA 91 3HB ALA 91 0.503 -9.938 1.016 737 HB2 ALA 91 1HB ALA 91 -0.813 -10.853 1.746 738 HB3 ALA 91 2HB ALA 91 -0.582 -9.150 2.163 739 H ALA 92 H ALA 92 -2.622 -7.483 1.298 740 HA ALA 92 HA ALA 92 -5.049 -8.630 2.185 741 HB1 ALA 92 3HB ALA 92 -5.846 -6.312 2.436 742 HB2 ALA 92 1HB ALA 92 -4.477 -5.730 1.478 743 HB3 ALA 92 2HB ALA 92 -4.199 -6.493 3.043 744 H ALA 93 H ALA 93 -4.185 -6.960 -0.828 745 HA ALA 93 HA ALA 93 -6.730 -6.969 -2.052 746 HB1 ALA 93 3HB ALA 93 -4.889 -5.532 -2.810 747 HB2 ALA 93 1HB ALA 93 -5.524 -6.501 -4.138 748 HB3 ALA 93 2HB ALA 93 -3.994 -6.945 -3.372 749 H LEU 94 H LEU 94 -3.972 -9.220 -2.328 750 HA LEU 94 HA LEU 94 -5.013 -11.083 -4.108 751 HB2 LEU 94 2HB LEU 94 -3.028 -11.416 -1.827 752 HB3 LEU 94 3HB LEU 94 -3.390 -12.710 -2.960 753 HG LEU 94 HG LEU 94 -2.197 -10.016 -3.726 754 HD11 LEU 94 1HD1 LEU 94 -0.107 -11.242 -4.134 755 HD12 LEU 94 2HD1 LEU 94 -0.846 -12.729 -3.528 756 HD13 LEU 94 3HD1 LEU 94 -0.601 -11.358 -2.445 757 HD21 LEU 94 3HD2 LEU 94 -2.708 -12.486 -5.415 758 HD22 LEU 94 1HD2 LEU 94 -1.824 -11.049 -5.937 759 HD23 LEU 94 2HD2 LEU 94 -3.535 -10.930 -5.541 760 H GLU 95 H GLU 95 -5.270 -10.933 -0.570 761 HA GLU 95 HA GLU 95 -6.681 -13.287 -0.035 762 HB2 GLU 95 2HB GLU 95 -5.714 -11.820 1.697 763 HB3 GLU 95 3HB GLU 95 -6.891 -10.566 1.319 764 HG2 GLU 95 2HG GLU 95 -8.693 -12.290 1.965 765 HG3 GLU 95 3HG GLU 95 -7.374 -13.253 2.634 766 H ALA 96 H ALA 96 -7.817 -10.145 -1.263 767 HA ALA 96 HA ALA 96 -10.653 -10.767 -1.019 768 HB1 ALA 96 3HB ALA 96 -9.254 -8.472 -2.441 769 HB2 ALA 96 1HB ALA 96 -9.852 -8.448 -0.784 770 HB3 ALA 96 2HB ALA 96 -10.988 -8.589 -2.127 771 H MET 97 H MET 97 -8.121 -11.438 -3.251 772 HA MET 97 HA MET 97 -9.935 -11.971 -5.528 773 HB2 MET 97 2HB MET 97 -6.880 -12.083 -5.351 774 HB3 MET 97 3HB MET 97 -7.838 -12.265 -6.817 775 HG2 MET 97 2HG MET 97 -7.632 -9.767 -5.140 776 HG3 MET 97 3HG MET 97 -6.818 -10.055 -6.680 777 HE1 MET 97 3HE MET 97 -9.579 -7.337 -7.447 778 HE2 MET 97 1HE MET 97 -7.845 -7.670 -7.382 779 HE3 MET 97 2HE MET 97 -8.779 -7.542 -5.888 780 H LYS 98 H LYS 98 -9.413 -13.510 -2.846 781 HA LYS 98 HA LYS 98 -9.631 -15.621 -2.074 782 HB2 LYS 98 2HB LYS 98 -9.875 -16.533 -4.978 783 HB3 LYS 98 3HB LYS 98 -10.339 -17.461 -3.562 784 HG2 LYS 98 2HG LYS 98 -11.668 -14.910 -4.534 785 HG3 LYS 98 3HG LYS 98 -12.303 -16.543 -4.718 786 HD2 LYS 98 2HD LYS 98 -11.868 -15.084 -2.085 787 HD3 LYS 98 3HD LYS 98 -13.421 -15.357 -2.875 788 HE2 LYS 98 2HE LYS 98 -13.097 -17.809 -2.623 789 HE3 LYS 98 3HE LYS 98 -11.572 -17.506 -1.786 790 HZ1 LYS 98 3HZ LYS 98 -12.805 -16.314 -0.079 791 HZ2 LYS 98 1HZ LYS 98 -13.360 -17.905 -0.222 792 HZ3 LYS 98 2HZ LYS 98 -14.256 -16.628 -0.875 793 H ASP 99 H ASP 99 -6.976 -14.521 -3.435 794 HA ASP 99 HA ASP 99 -5.435 -16.961 -3.827 795 HB2 ASP 99 2HB ASP 99 -4.574 -14.024 -3.881 796 HB3 ASP 99 3HB ASP 99 -3.539 -15.376 -4.306 797 H TYR 100 H TYR 100 -6.406 -16.918 -1.210 798 HA TYR 100 HA TYR 100 -4.913 -15.813 0.818 799 HB2 TYR 100 2HB TYR 100 -5.936 -18.686 0.794 800 HB3 TYR 100 3HB TYR 100 -5.632 -17.704 2.223 801 HD1 TYR 100 HD1 TYR 100 -6.954 -15.124 1.455 802 HD2 TYR 100 HD2 TYR 100 -8.252 -19.156 0.887 803 HE1 TYR 100 HE1 TYR 100 -9.290 -14.384 1.447 804 HE2 TYR 100 HE2 TYR 100 -10.586 -18.402 0.883 805 HH TYR 100 HH TYR 100 -11.852 -16.379 1.910 806 H THR 101 H THR 101 -4.201 -18.647 -1.103 807 HA THR 101 HA THR 101 -1.899 -19.639 0.145 808 HB THR 101 HB THR 101 -1.484 -20.678 -2.158 809 HG1 THR 101 HG1 THR 101 -2.885 -20.189 -3.792 810 HG21 THR 101 3HG2 THR 101 -4.298 -20.978 -1.012 811 HG22 THR 101 1HG2 THR 101 -2.865 -21.880 -0.508 812 HG23 THR 101 2HG2 THR 101 -3.522 -22.103 -2.130 813 H LYS 102 H LYS 102 -2.324 -17.072 -2.307 814 HA LYS 102 HA LYS 102 0.571 -16.796 -2.714 815 HB2 LYS 102 2HB LYS 102 -1.767 -15.310 -3.992 816 HB3 LYS 102 3HB LYS 102 -0.083 -15.038 -4.401 817 HG2 LYS 102 2HG LYS 102 -1.662 -17.585 -4.864 818 HG3 LYS 102 3HG LYS 102 -1.143 -16.429 -6.088 819 HD2 LYS 102 2HD LYS 102 0.574 -17.939 -6.381 820 HD3 LYS 102 3HD LYS 102 1.297 -17.068 -5.035 821 HE2 LYS 102 2HE LYS 102 0.103 -18.850 -3.539 822 HE3 LYS 102 3HE LYS 102 -0.062 -19.773 -5.029 823 HZ1 LYS 102 3HZ LYS 102 1.925 -20.408 -3.835 824 HZ2 LYS 102 1HZ LYS 102 2.497 -18.816 -3.851 825 HZ3 LYS 102 2HZ LYS 102 2.348 -19.678 -5.299 826 H ALA 103 H ALA 103 -2.012 -15.303 -0.991 827 HA ALA 103 HA ALA 103 -0.874 -12.733 -0.538 828 HB1 ALA 103 3HB ALA 103 -2.683 -12.479 1.123 829 HB2 ALA 103 1HB ALA 103 -3.088 -14.192 0.960 830 HB3 ALA 103 2HB ALA 103 -3.293 -13.098 -0.409 831 H MET 104 H MET 104 -1.144 -15.731 1.360 832 HA MET 104 HA MET 104 0.097 -14.920 3.719 833 HB2 MET 104 2HB MET 104 0.368 -17.257 4.249 834 HB3 MET 104 3HB MET 104 -1.160 -17.064 3.422 835 HG2 MET 104 2HG MET 104 -0.267 -18.040 1.411 836 HG3 MET 104 3HG MET 104 1.366 -18.033 2.073 837 HE1 MET 104 3HE MET 104 -2.273 -19.481 2.652 838 HE2 MET 104 1HE MET 104 -1.764 -19.000 4.274 839 HE3 MET 104 2HE MET 104 -1.940 -20.707 3.872 840 H ASP 105 H ASP 105 1.499 -15.975 0.674 841 HA ASP 105 HA ASP 105 4.195 -16.290 1.450 842 HB2 ASP 105 2HB ASP 105 3.064 -15.409 -1.240 843 HB3 ASP 105 3HB ASP 105 4.736 -15.890 -0.971 844 H VAL 106 H VAL 106 2.282 -13.486 0.467 845 HA VAL 106 HA VAL 106 4.590 -11.737 0.172 846 HB VAL 106 HB VAL 106 1.609 -11.039 0.043 847 HG11 VAL 106 1HG1 VAL 106 4.031 -9.525 -1.010 848 HG12 VAL 106 2HG1 VAL 106 3.053 -9.069 0.388 849 HG13 VAL 106 3HG1 VAL 106 2.342 -9.057 -1.225 850 HG21 VAL 106 3HG2 VAL 106 2.181 -12.757 -1.641 851 HG22 VAL 106 1HG2 VAL 106 3.493 -11.743 -2.247 852 HG23 VAL 106 2HG2 VAL 106 1.815 -11.214 -2.409 853 H TYR 107 H TYR 107 2.076 -12.411 2.577 854 HA TYR 107 HA TYR 107 2.677 -10.320 4.427 855 HB2 TYR 107 2HB TYR 107 1.391 -13.060 4.789 856 HB3 TYR 107 3HB TYR 107 1.689 -12.007 6.165 857 HD1 TYR 107 HD1 TYR 107 0.860 -9.397 5.556 858 HD2 TYR 107 HD2 TYR 107 -0.875 -13.036 4.120 859 HE1 TYR 107 HE1 TYR 107 -1.288 -8.251 5.238 860 HE2 TYR 107 HE2 TYR 107 -3.018 -11.876 3.801 861 HH TYR 107 HH TYR 107 -3.306 -8.479 3.938 862 H GLN 108 H GLN 108 3.868 -13.628 4.002 863 HA GLN 108 HA GLN 108 5.600 -13.826 6.208 864 HB2 GLN 108 2HB GLN 108 4.763 -15.686 4.604 865 HB3 GLN 108 3HB GLN 108 6.037 -15.188 3.508 866 HG2 GLN 108 2HG GLN 108 6.638 -16.055 6.339 867 HG3 GLN 108 3HG GLN 108 6.457 -17.224 5.040 868 HE21 GLN 108 1HE2 GLN 108 8.448 -14.659 6.311 869 HE22 GLN 108 2HE2 GLN 108 9.849 -15.020 5.365 870 H LYS 109 H LYS 109 6.190 -12.860 2.813 871 HA LYS 109 HA LYS 109 8.947 -12.274 3.162 872 HB2 LYS 109 2HB LYS 109 7.024 -11.450 0.950 873 HB3 LYS 109 3HB LYS 109 8.758 -11.145 0.907 874 HG2 LYS 109 2HG LYS 109 7.389 -13.845 0.933 875 HG3 LYS 109 3HG LYS 109 8.240 -13.107 -0.418 876 HD2 LYS 109 2HD LYS 109 9.504 -14.031 2.194 877 HD3 LYS 109 3HD LYS 109 9.577 -14.878 0.651 878 HE2 LYS 109 2HE LYS 109 10.850 -13.024 -0.338 879 HE3 LYS 109 3HE LYS 109 10.729 -12.117 1.172 880 HZ1 LYS 109 3HZ LYS 109 11.987 -13.894 2.267 881 HZ2 LYS 109 1HZ LYS 109 12.865 -13.183 1.007 882 HZ3 LYS 109 2HZ LYS 109 12.150 -14.699 0.791 883 H ALA 110 H ALA 110 6.026 -10.304 3.471 884 HA ALA 110 HA ALA 110 7.250 -7.766 3.735 885 HB1 ALA 110 3HB ALA 110 4.806 -8.072 3.472 886 HB2 ALA 110 1HB ALA 110 5.179 -7.088 4.890 887 HB3 ALA 110 2HB ALA 110 4.717 -8.781 5.084 888 H LEU 111 H LEU 111 6.389 -10.214 6.196 889 HA LEU 111 HA LEU 111 7.579 -8.995 8.454 890 HB2 LEU 111 2HB LEU 111 7.120 -11.934 7.802 891 HB3 LEU 111 3HB LEU 111 7.601 -11.353 9.389 892 HG LEU 111 HG LEU 111 5.003 -10.533 8.025 893 HD11 LEU 111 1HD1 LEU 111 3.841 -12.101 9.505 894 HD12 LEU 111 2HD1 LEU 111 5.385 -12.680 10.139 895 HD13 LEU 111 3HD1 LEU 111 4.968 -12.951 8.445 896 HD21 LEU 111 3HD2 LEU 111 4.349 -9.753 10.253 897 HD22 LEU 111 1HD2 LEU 111 5.799 -8.928 9.684 898 HD23 LEU 111 2HD2 LEU 111 5.931 -10.208 10.893 899 H ASP 112 H ASP 112 8.904 -10.943 5.879 900 HA ASP 112 HA ASP 112 11.436 -11.573 7.076 901 HB2 ASP 112 2HB ASP 112 10.373 -13.039 5.416 902 HB3 ASP 112 3HB ASP 112 10.408 -11.768 4.203 903 H LEU 113 H LEU 113 10.192 -8.929 5.107 904 HA LEU 113 HA LEU 113 12.668 -7.794 4.296 905 HB2 LEU 113 2HB LEU 113 9.947 -6.474 4.688 906 HB3 LEU 113 3HB LEU 113 11.337 -5.653 4.000 907 HG LEU 113 HG LEU 113 9.845 -8.003 2.774 908 HD11 LEU 113 1HD1 LEU 113 9.253 -6.443 0.974 909 HD12 LEU 113 2HD1 LEU 113 10.068 -5.133 1.833 910 HD13 LEU 113 3HD1 LEU 113 8.643 -5.899 2.537 911 HD21 LEU 113 3HD2 LEU 113 12.304 -6.599 1.705 912 HD22 LEU 113 1HD2 LEU 113 11.331 -7.786 0.827 913 HD23 LEU 113 2HD2 LEU 113 12.203 -8.268 2.279 914 H ASP 114 H ASP 114 10.471 -6.949 7.016 915 HA ASP 114 HA ASP 114 12.645 -6.657 8.860 916 HB2 ASP 114 2HB ASP 114 12.815 -4.465 7.633 917 HB3 ASP 114 3HB ASP 114 11.183 -4.071 8.150 918 H SER 115 H SER 115 11.964 -6.501 11.008 919 HA SER 115 HA SER 115 9.560 -7.856 11.596 920 HB2 SER 115 2HB SER 115 11.657 -8.115 12.907 921 HB3 SER 115 3HB SER 115 11.474 -6.479 13.534 922 HG SER 115 HG SER 115 9.434 -7.199 14.429 923 H SER 116 H SER 116 10.271 -4.412 11.484 924 HA SER 116 HA SER 116 8.146 -3.445 13.095 925 HB2 SER 116 2HB SER 116 10.035 -2.026 12.331 926 HB3 SER 116 3HB SER 116 9.430 -2.112 10.673 927 HG SER 116 HG SER 116 7.417 -1.298 12.170 928 H CYS 117 H CYS 117 8.002 -5.212 10.236 929 HA CYS 117 HA CYS 117 5.364 -4.288 9.398 930 HB2 CYS 117 2HB CYS 117 7.141 -5.011 7.776 931 HB3 CYS 117 3HB CYS 117 6.986 -6.655 8.399 932 HG CYS 117 HG CYS 117 4.878 -7.319 7.092 933 H LYS 118 H LYS 118 6.089 -5.910 12.120 934 HA LYS 118 HA LYS 118 4.667 -8.284 12.175 935 HB2 LYS 118 2HB LYS 118 4.965 -6.142 14.296 936 HB3 LYS 118 3HB LYS 118 4.037 -7.596 14.627 937 HG2 LYS 118 2HG LYS 118 6.976 -7.493 13.894 938 HG3 LYS 118 3HG LYS 118 6.322 -7.781 15.498 939 HD2 LYS 118 2HD LYS 118 6.002 -9.605 13.078 940 HD3 LYS 118 3HD LYS 118 7.065 -9.887 14.457 941 HE2 LYS 118 2HE LYS 118 4.029 -9.818 14.510 942 HE3 LYS 118 3HE LYS 118 5.051 -11.241 14.678 943 HZ1 LYS 118 3HZ LYS 118 5.925 -10.323 16.725 944 HZ2 LYS 118 1HZ LYS 118 4.250 -10.497 16.805 945 HZ3 LYS 118 2HZ LYS 118 4.935 -8.969 16.579 946 H GLU 119 H GLU 119 3.268 -5.114 11.786 947 HA GLU 119 HA GLU 119 0.577 -5.561 12.406 948 HB2 GLU 119 2HB GLU 119 0.102 -3.719 10.799 949 HB3 GLU 119 3HB GLU 119 1.473 -3.353 11.840 950 HG2 GLU 119 2HG GLU 119 3.030 -3.983 9.998 951 HG3 GLU 119 3HG GLU 119 1.640 -4.297 8.962 952 H ALA 120 H ALA 120 2.438 -6.553 9.586 953 HA ALA 120 HA ALA 120 0.282 -7.567 8.003 954 HB1 ALA 120 3HB ALA 120 2.044 -8.520 6.586 955 HB2 ALA 120 1HB ALA 120 3.257 -8.135 7.817 956 HB3 ALA 120 2HB ALA 120 2.388 -6.840 6.993 957 H ALA 121 H ALA 121 2.049 -8.832 10.731 958 HA ALA 121 HA ALA 121 1.671 -11.642 10.195 959 HB1 ALA 121 3HB ALA 121 2.296 -11.993 12.552 960 HB2 ALA 121 1HB ALA 121 2.162 -10.257 12.860 961 HB3 ALA 121 2HB ALA 121 3.406 -10.868 11.772 962 H ASP 122 H ASP 122 -0.155 -9.118 11.826 963 HA ASP 122 HA ASP 122 -2.268 -10.581 12.950 964 HB2 ASP 122 2HB ASP 122 -1.857 -8.143 13.331 965 HB3 ASP 122 3HB ASP 122 -2.344 -7.801 11.675 966 H GLY 123 H GLY 123 -2.005 -9.044 9.730 967 HA2 GLY 123 2HA GLY 123 -4.402 -10.091 8.639 968 HA3 GLY 123 3HA GLY 123 -3.064 -9.411 7.723 969 H TYR 124 H TYR 124 -1.130 -11.397 8.811 970 HA TYR 124 HA TYR 124 -1.330 -13.426 6.875 971 HB2 TYR 124 2HB TYR 124 0.825 -12.815 7.778 972 HB3 TYR 124 3HB TYR 124 0.336 -13.239 9.416 973 HD1 TYR 124 HD1 TYR 124 0.195 -15.068 6.099 974 HD2 TYR 124 HD2 TYR 124 1.560 -15.117 10.154 975 HE1 TYR 124 HE1 TYR 124 1.121 -17.320 5.784 976 HE2 TYR 124 HE2 TYR 124 2.470 -17.377 9.821 977 HH TYR 124 HH TYR 124 2.756 -18.814 6.729 978 H GLN 125 H GLN 125 -1.853 -13.616 10.416 979 HA GLN 125 HA GLN 125 -2.724 -16.256 10.600 980 HB2 GLN 125 2HB GLN 125 -2.997 -13.827 12.324 981 HB3 GLN 125 3HB GLN 125 -4.108 -15.139 12.678 982 HG2 GLN 125 2HG GLN 125 -1.972 -15.097 14.028 983 HG3 GLN 125 3HG GLN 125 -2.346 -16.626 13.236 984 HE21 GLN 125 1HE2 GLN 125 -0.292 -13.802 13.135 985 HE22 GLN 125 2HE2 GLN 125 0.939 -14.492 12.149 986 H ARG 126 H ARG 126 -4.554 -13.392 9.649 987 HA ARG 126 HA ARG 126 -7.112 -14.717 9.549 988 HB2 ARG 126 2HB ARG 126 -7.123 -12.326 9.764 989 HB3 ARG 126 3HB ARG 126 -6.079 -12.113 8.361 990 HG2 ARG 126 2HG ARG 126 -7.859 -12.839 6.867 991 HG3 ARG 126 3HG ARG 126 -8.923 -13.195 8.227 992 HD2 ARG 126 2HD ARG 126 -9.313 -10.917 8.669 993 HD3 ARG 126 3HD ARG 126 -7.835 -10.402 7.857 994 HE ARG 126 HE ARG 126 -8.862 -10.681 5.776 995 HH11 ARG 126 1HH1 ARG 126 -11.193 -11.220 8.362 996 HH12 ARG 126 2HH1 ARG 126 -12.564 -11.001 7.323 997 HH21 ARG 126 1HH2 ARG 126 -10.624 -10.399 4.452 998 HH22 ARG 126 2HH2 ARG 126 -12.232 -10.532 5.091 999 H CYS 127 H CYS 127 -4.419 -14.244 7.285 1000 HA CYS 127 HA CYS 127 -5.857 -14.713 4.850 1001 HB2 CYS 127 2HB CYS 127 -3.779 -13.433 4.855 1002 HB3 CYS 127 3HB CYS 127 -2.880 -14.807 5.496 1003 HG CYS 127 HG CYS 127 -4.310 -14.599 2.406 1004 H MET 128 H MET 128 -3.573 -16.686 6.751 1005 HA MET 128 HA MET 128 -3.904 -19.088 5.299 1006 HB2 MET 128 2HB MET 128 -2.878 -20.211 7.291 1007 HB3 MET 128 3HB MET 128 -1.960 -18.835 6.702 1008 HG2 MET 128 2HG MET 128 -2.650 -17.474 8.549 1009 HG3 MET 128 3HG MET 128 -3.843 -18.666 9.062 1010 HE1 MET 128 3HE MET 128 -3.289 -20.914 10.254 1011 HE2 MET 128 1HE MET 128 -1.654 -21.528 10.516 1012 HE3 MET 128 2HE MET 128 -2.309 -21.432 8.881 1013 H MET 129 H MET 129 -5.599 -17.886 8.230 1014 HA MET 129 HA MET 129 -7.025 -20.307 8.693 1015 HB2 MET 129 2HB MET 129 -8.037 -19.280 10.517 1016 HB3 MET 129 3HB MET 129 -6.583 -18.312 10.364 1017 HG2 MET 129 2HG MET 129 -7.850 -16.534 9.268 1018 HG3 MET 129 3HG MET 129 -9.307 -17.526 9.294 1019 HE1 MET 129 3HE MET 129 -9.663 -14.672 10.333 1020 HE2 MET 129 1HE MET 129 -10.498 -14.978 11.856 1021 HE3 MET 129 2HE MET 129 -10.878 -15.953 10.431 1022 H ALA 130 H ALA 130 -7.615 -17.645 6.541 1023 HA ALA 130 HA ALA 130 -10.406 -17.598 6.395 1024 HB1 ALA 130 3HB ALA 130 -8.973 -15.865 5.404 1025 HB2 ALA 130 1HB ALA 130 -10.122 -16.494 4.221 1026 HB3 ALA 130 2HB ALA 130 -8.433 -17.004 4.170 1027 H GLN 131 H GLN 131 -8.103 -19.448 4.434 1028 HA GLN 131 HA GLN 131 -10.145 -21.032 3.127 1029 HB2 GLN 131 2HB GLN 131 -8.131 -22.363 2.271 1030 HB3 GLN 131 3HB GLN 131 -8.187 -20.663 1.823 1031 HG2 GLN 131 2HG GLN 131 -6.561 -20.132 3.573 1032 HG3 GLN 131 3HG GLN 131 -6.513 -21.825 4.056 1033 HE21 GLN 131 1HE2 GLN 131 -4.328 -20.199 3.176 1034 HE22 GLN 131 2HE2 GLN 131 -3.669 -21.002 1.794 1035 H TYR 132 H TYR 132 -8.237 -21.327 6.066 1036 HA TYR 132 HA TYR 132 -9.034 -24.154 6.452 1037 HB2 TYR 132 2HB TYR 132 -7.324 -22.397 8.280 1038 HB3 TYR 132 3HB TYR 132 -7.494 -24.145 8.364 1039 HD1 TYR 132 HD1 TYR 132 -7.154 -24.132 5.055 1040 HD2 TYR 132 HD2 TYR 132 -4.863 -22.799 8.412 1041 HE1 TYR 132 HE1 TYR 132 -5.104 -24.304 3.724 1042 HE2 TYR 132 HE2 TYR 132 -2.808 -23.002 7.086 1043 HH TYR 132 HH TYR 132 -2.003 -24.213 5.100 1044 H ASN 133 H ASN 133 -11.052 -22.024 6.466 1045 HA ASN 133 HA ASN 133 -11.884 -21.726 9.257 1046 HB2 ASN 133 2HB ASN 133 -12.487 -20.318 6.721 1047 HB3 ASN 133 3HB ASN 133 -13.946 -20.678 7.617 1048 HD21 ASN 133 1HD2 ASN 133 -10.870 -19.935 9.235 1049 HD22 ASN 133 2HD2 ASN 133 -11.394 -18.415 9.852 Start of MODEL 12 1 H1 MET 1 1H MET 1 27.819 6.039 8.110 2 H2 MET 1 2H MET 1 27.229 7.352 8.990 3 H3 MET 1 3H MET 1 28.844 6.893 9.145 4 HA MET 1 HA MET 1 28.579 8.873 7.788 5 HB2 MET 1 2HB MET 1 30.516 7.386 7.385 6 HB3 MET 1 3HB MET 1 29.554 6.400 6.293 7 HG2 MET 1 2HG MET 1 29.405 8.251 4.706 8 HG3 MET 1 3HG MET 1 30.286 9.298 5.817 9 HE1 MET 1 3HE MET 1 32.203 5.638 3.724 10 HE2 MET 1 1HE MET 1 30.518 6.103 3.499 11 HE3 MET 1 2HE MET 1 31.058 5.460 5.052 12 H GLY 2 H GLY 2 26.727 6.079 6.667 13 HA2 GLY 2 2HA GLY 2 25.930 7.162 4.136 14 HA3 GLY 2 3HA GLY 2 25.324 5.703 4.892 15 H HIS 3 H HIS 3 25.028 9.238 4.915 16 HA HIS 3 HA HIS 3 22.372 9.080 6.193 17 HB2 HIS 3 2HB HIS 3 24.284 11.400 5.696 18 HB3 HIS 3 3HB HIS 3 22.637 11.633 6.276 19 HD1 HIS 3 HD1 HIS 3 26.018 11.014 7.490 20 HD2 HIS 3 HD2 HIS 3 22.154 10.286 8.847 21 HE1 HIS 3 HE1 HIS 3 26.231 10.645 9.969 22 HE2 HIS 3 HE2 HIS 3 23.879 10.202 10.758 23 H HIS 4 H HIS 4 20.799 8.733 4.786 24 HA HIS 4 HA HIS 4 20.692 9.949 2.132 25 HB2 HIS 4 2HB HIS 4 18.818 8.093 3.664 26 HB3 HIS 4 3HB HIS 4 18.363 8.810 2.117 27 HD1 HIS 4 HD1 HIS 4 18.947 7.467 0.138 28 HD2 HIS 4 HD2 HIS 4 21.360 6.502 3.381 29 HE1 HIS 4 HE1 HIS 4 20.422 5.600 -0.657 30 HE2 HIS 4 HE2 HIS 4 21.769 4.942 1.363 31 H HIS 5 H HIS 5 19.297 10.386 5.335 32 HA HIS 5 HA HIS 5 17.647 12.652 4.609 33 HB2 HIS 5 2HB HIS 5 18.627 11.716 7.346 34 HB3 HIS 5 3HB HIS 5 17.400 12.950 7.070 35 HD1 HIS 5 HD1 HIS 5 17.714 9.446 7.783 36 HD2 HIS 5 HD2 HIS 5 15.065 11.781 5.582 37 HE1 HIS 5 HE1 HIS 5 15.661 8.035 7.483 38 HE2 HIS 5 HE2 HIS 5 14.032 9.518 6.273 39 H HIS 6 H HIS 6 18.485 14.598 4.147 40 HA HIS 6 HA HIS 6 21.290 15.217 4.792 41 HB2 HIS 6 2HB HIS 6 19.324 16.515 2.850 42 HB3 HIS 6 3HB HIS 6 20.989 17.052 3.090 43 HD1 HIS 6 HD1 HIS 6 18.955 14.440 1.409 44 HD2 HIS 6 HD2 HIS 6 22.974 15.262 2.071 45 HE1 HIS 6 HE1 HIS 6 20.214 12.934 -0.150 46 HE2 HIS 6 HE2 HIS 6 22.639 13.357 0.361 47 H HIS 7 H HIS 7 21.869 17.347 5.526 48 HA HIS 7 HA HIS 7 20.523 18.204 7.852 49 HB2 HIS 7 2HB HIS 7 22.640 19.693 6.234 50 HB3 HIS 7 3HB HIS 7 22.159 20.089 7.881 51 HD1 HIS 7 HD1 HIS 7 22.880 18.361 9.754 52 HD2 HIS 7 HD2 HIS 7 24.523 17.673 5.999 53 HE1 HIS 7 HE1 HIS 7 24.818 16.814 10.140 54 HE2 HIS 7 HE2 HIS 7 25.809 16.429 7.857 55 H HIS 8 H HIS 8 19.145 19.880 8.255 56 HA HIS 8 HA HIS 8 17.591 20.928 6.027 57 HB2 HIS 8 2HB HIS 8 17.181 21.368 9.019 58 HB3 HIS 8 3HB HIS 8 16.007 21.691 7.747 59 HD1 HIS 8 HD1 HIS 8 16.890 19.221 10.177 60 HD2 HIS 8 HD2 HIS 8 15.248 19.124 6.356 61 HE1 HIS 8 HE1 HIS 8 15.755 16.994 9.992 62 HE2 HIS 8 HE2 HIS 8 14.586 17.063 7.767 63 H SER 9 H SER 9 19.605 22.144 5.337 64 HA SER 9 HA SER 9 19.823 24.794 6.668 65 HB2 SER 9 2HB SER 9 21.926 23.403 6.590 66 HB3 SER 9 3HB SER 9 21.840 23.419 4.828 67 HG SER 9 HG SER 9 21.665 25.936 5.622 68 H HIS 10 H HIS 10 17.641 24.304 5.107 69 HA HIS 10 HA HIS 10 17.952 26.143 2.859 70 HB2 HIS 10 2HB HIS 10 18.293 23.622 2.110 71 HB3 HIS 10 3HB HIS 10 16.552 23.477 2.329 72 HD1 HIS 10 HD1 HIS 10 19.097 24.530 -0.063 73 HD2 HIS 10 HD2 HIS 10 15.060 25.278 0.535 74 HE1 HIS 10 HE1 HIS 10 18.261 25.473 -2.231 75 HE2 HIS 10 HE2 HIS 10 15.779 25.702 -1.901 76 H MET 11 H MET 11 16.118 27.393 2.658 77 HA MET 11 HA MET 11 14.331 27.531 4.839 78 HB2 MET 11 2HB MET 11 14.042 28.894 2.131 79 HB3 MET 11 3HB MET 11 13.202 29.357 3.608 80 HG2 MET 11 2HG MET 11 15.428 29.871 4.637 81 HG3 MET 11 3HG MET 11 16.177 29.548 3.075 82 HE1 MET 11 3HE MET 11 14.497 32.419 0.876 83 HE2 MET 11 1HE MET 11 13.811 30.815 1.129 84 HE3 MET 11 2HE MET 11 15.542 30.998 0.838 85 H ASN 12 H ASN 12 13.977 26.156 1.635 86 HA ASN 12 HA ASN 12 11.577 24.698 2.544 87 HB2 ASN 12 2HB ASN 12 10.925 24.579 0.081 88 HB3 ASN 12 3HB ASN 12 10.760 26.158 0.834 89 HD21 ASN 12 1HD2 ASN 12 12.563 24.287 -1.537 90 HD22 ASN 12 2HD2 ASN 12 13.320 25.645 -2.291 91 HA PRO 13 HA PRO 13 15.105 21.708 2.205 92 HB2 PRO 13 2HB PRO 13 13.006 19.951 3.499 93 HB3 PRO 13 3HB PRO 13 14.712 20.188 3.945 94 HG2 PRO 13 2HG PRO 13 12.804 21.314 5.395 95 HG3 PRO 13 3HG PRO 13 14.293 22.218 5.030 96 HD2 PRO 13 2HD PRO 13 11.565 22.488 3.767 97 HD3 PRO 13 3HD PRO 13 12.729 23.751 4.234 98 H ASP 14 H ASP 14 11.708 20.917 1.511 99 HA ASP 14 HA ASP 14 12.209 20.182 -1.198 100 HB2 ASP 14 2HB ASP 14 13.013 18.072 -0.252 101 HB3 ASP 14 3HB ASP 14 11.603 17.936 0.796 102 H LEU 15 H LEU 15 10.457 21.157 -2.073 103 HA LEU 15 HA LEU 15 8.096 21.844 -0.681 104 HB2 LEU 15 2HB LEU 15 8.513 21.683 -3.697 105 HB3 LEU 15 3HB LEU 15 7.153 22.456 -2.901 106 HG LEU 15 HG LEU 15 9.020 23.960 -1.763 107 HD11 LEU 15 1HD1 LEU 15 10.978 22.761 -2.549 108 HD12 LEU 15 2HD1 LEU 15 10.970 24.406 -3.169 109 HD13 LEU 15 3HD1 LEU 15 10.528 23.063 -4.228 110 HD21 LEU 15 3HD2 LEU 15 7.277 24.821 -3.249 111 HD22 LEU 15 1HD2 LEU 15 8.228 24.361 -4.664 112 HD23 LEU 15 2HD2 LEU 15 8.818 25.612 -3.565 113 H ALA 16 H ALA 16 8.988 19.091 -2.619 114 HA ALA 16 HA ALA 16 6.451 17.900 -2.971 115 HB1 ALA 16 3HB ALA 16 8.343 17.312 -4.363 116 HB2 ALA 16 1HB ALA 16 7.726 15.872 -3.556 117 HB3 ALA 16 2HB ALA 16 9.209 16.641 -2.973 118 H LEU 17 H LEU 17 8.592 18.011 -0.190 119 HA LEU 17 HA LEU 17 7.281 15.840 1.204 120 HB2 LEU 17 2HB LEU 17 8.929 16.021 2.782 121 HB3 LEU 17 3HB LEU 17 9.730 16.933 1.529 122 HG LEU 17 HG LEU 17 8.574 19.025 2.802 123 HD11 LEU 17 1HD1 LEU 17 7.364 17.681 4.469 124 HD12 LEU 17 2HD1 LEU 17 8.540 18.745 5.237 125 HD13 LEU 17 3HD1 LEU 17 8.890 17.023 5.064 126 HD21 LEU 17 3HD2 LEU 17 11.116 17.674 3.784 127 HD22 LEU 17 1HD2 LEU 17 10.665 19.362 4.064 128 HD23 LEU 17 2HD2 LEU 17 10.984 18.797 2.428 129 H MET 18 H MET 18 6.693 19.194 0.655 130 HA MET 18 HA MET 18 4.993 19.615 2.992 131 HB2 MET 18 2HB MET 18 5.431 21.393 0.543 132 HB3 MET 18 3HB MET 18 4.621 21.870 2.034 133 HG2 MET 18 2HG MET 18 7.548 21.151 1.734 134 HG3 MET 18 3HG MET 18 6.881 22.768 1.971 135 HE1 MET 18 3HE MET 18 8.690 22.091 5.406 136 HE2 MET 18 1HE MET 18 8.562 23.174 4.020 137 HE3 MET 18 2HE MET 18 9.248 21.561 3.819 138 H VAL 19 H VAL 19 4.619 18.853 -0.431 139 HA VAL 19 HA VAL 19 1.778 19.371 -0.511 140 HB VAL 19 HB VAL 19 3.297 19.693 -2.484 141 HG11 VAL 19 1HG1 VAL 19 3.894 17.757 -3.884 142 HG12 VAL 19 2HG1 VAL 19 3.284 16.669 -2.642 143 HG13 VAL 19 3HG1 VAL 19 4.672 17.702 -2.304 144 HG21 VAL 19 3HG2 VAL 19 1.685 18.925 -4.182 145 HG22 VAL 19 1HG2 VAL 19 0.855 19.616 -2.785 146 HG23 VAL 19 2HG2 VAL 19 0.917 17.866 -2.996 147 H LYS 20 H LYS 20 3.780 16.561 0.094 148 HA LYS 20 HA LYS 20 1.712 14.597 -0.253 149 HB2 LYS 20 2HB LYS 20 3.278 12.991 0.654 150 HB3 LYS 20 3HB LYS 20 4.160 14.070 -0.413 151 HG2 LYS 20 2HG LYS 20 5.174 15.212 1.452 152 HG3 LYS 20 3HG LYS 20 4.118 14.392 2.601 153 HD2 LYS 20 2HD LYS 20 6.080 13.175 2.850 154 HD3 LYS 20 3HD LYS 20 5.227 12.187 1.669 155 HE2 LYS 20 2HE LYS 20 7.526 14.098 1.182 156 HE3 LYS 20 3HE LYS 20 7.524 12.356 1.003 157 HZ1 LYS 20 3HZ LYS 20 6.066 14.281 -0.708 158 HZ2 LYS 20 1HZ LYS 20 6.022 12.603 -0.875 159 HZ3 LYS 20 2HZ LYS 20 7.468 13.437 -1.118 160 H ASN 21 H ASN 21 2.490 16.826 2.241 161 HA ASN 21 HA ASN 21 1.552 15.468 4.551 162 HB2 ASN 21 2HB ASN 21 1.820 18.457 4.028 163 HB3 ASN 21 3HB ASN 21 1.465 17.761 5.607 164 HD21 ASN 21 1HD2 ASN 21 3.728 19.388 4.838 165 HD22 ASN 21 2HD2 ASN 21 5.139 18.443 5.149 166 H LYS 22 H LYS 22 -0.077 17.655 2.267 167 HA LYS 22 HA LYS 22 -2.593 17.477 3.676 168 HB2 LYS 22 2HB LYS 22 -3.599 18.644 1.672 169 HB3 LYS 22 3HB LYS 22 -2.399 19.546 2.571 170 HG2 LYS 22 2HG LYS 22 -1.559 18.039 0.103 171 HG3 LYS 22 3HG LYS 22 -2.423 19.565 -0.068 172 HD2 LYS 22 2HD LYS 22 0.218 19.145 1.385 173 HD3 LYS 22 3HD LYS 22 -0.003 19.918 -0.180 174 HE2 LYS 22 2HE LYS 22 -1.184 21.779 0.848 175 HE3 LYS 22 3HE LYS 22 -1.162 20.973 2.419 176 HZ1 LYS 22 3HZ LYS 22 1.254 21.858 0.929 177 HZ2 LYS 22 1HZ LYS 22 1.240 21.148 2.461 178 HZ3 LYS 22 2HZ LYS 22 0.559 22.681 2.228 179 H GLY 23 H GLY 23 -0.989 15.665 1.216 180 HA2 GLY 23 2HA GLY 23 -3.081 14.134 0.153 181 HA3 GLY 23 3HA GLY 23 -1.438 13.560 0.421 182 H ASN 24 H ASN 24 -1.085 13.445 3.067 183 HA ASN 24 HA ASN 24 -2.743 11.221 3.848 184 HB2 ASN 24 2HB ASN 24 -1.310 11.021 5.834 185 HB3 ASN 24 3HB ASN 24 -0.334 11.203 4.384 186 HD21 ASN 24 1HD2 ASN 24 -1.374 12.759 7.350 187 HD22 ASN 24 2HD2 ASN 24 -0.174 14.004 7.339 188 H GLU 25 H GLU 25 -2.661 14.661 4.658 189 HA GLU 25 HA GLU 25 -4.226 14.430 7.032 190 HB2 GLU 25 2HB GLU 25 -4.043 16.699 7.278 191 HB3 GLU 25 3HB GLU 25 -2.800 16.528 6.053 192 HG2 GLU 25 2HG GLU 25 -4.373 17.257 4.318 193 HG3 GLU 25 3HG GLU 25 -5.675 17.320 5.496 194 H CYS 26 H CYS 26 -5.076 14.977 3.592 195 HA CYS 26 HA CYS 26 -7.826 15.489 4.001 196 HB2 CYS 26 2HB CYS 26 -6.353 14.424 1.590 197 HB3 CYS 26 3HB CYS 26 -8.068 14.822 1.566 198 HG CYS 26 HG CYS 26 -5.834 17.163 2.590 199 H PHE 27 H PHE 27 -6.077 12.460 3.469 200 HA PHE 27 HA PHE 27 -8.157 10.594 3.416 201 HB2 PHE 27 2HB PHE 27 -5.643 10.192 3.063 202 HB3 PHE 27 3HB PHE 27 -5.455 10.224 4.807 203 HD1 PHE 27 HD2 PHE 27 -6.726 8.303 1.941 204 HD2 PHE 27 HD1 PHE 27 -6.248 8.356 6.170 205 HE1 PHE 27 HE2 PHE 27 -7.211 5.888 2.022 206 HE2 PHE 27 HE1 PHE 27 -6.729 5.941 6.264 207 HZ PHE 27 HZ PHE 27 -7.214 4.706 4.185 208 H GLN 28 H GLN 28 -6.401 12.000 6.119 209 HA GLN 28 HA GLN 28 -7.733 10.747 8.281 210 HB2 GLN 28 2HB GLN 28 -5.463 11.767 8.404 211 HB3 GLN 28 3HB GLN 28 -6.165 13.361 8.168 212 HG2 GLN 28 2HG GLN 28 -5.592 13.008 10.502 213 HG3 GLN 28 3HG GLN 28 -7.336 13.186 10.314 214 HE21 GLN 28 1HE2 GLN 28 -5.495 10.221 9.619 215 HE22 GLN 28 2HE2 GLN 28 -6.202 9.290 10.886 216 H LYS 29 H LYS 29 -8.666 13.465 6.228 217 HA LYS 29 HA LYS 29 -10.581 14.547 8.170 218 HB2 LYS 29 2HB LYS 29 -10.511 15.243 5.205 219 HB3 LYS 29 3HB LYS 29 -11.179 16.189 6.528 220 HG2 LYS 29 2HG LYS 29 -8.268 15.718 5.891 221 HG3 LYS 29 3HG LYS 29 -9.150 17.226 5.703 222 HD2 LYS 29 2HD LYS 29 -8.790 15.947 8.434 223 HD3 LYS 29 3HD LYS 29 -7.512 16.929 7.720 224 HE2 LYS 29 2HE LYS 29 -8.819 18.302 9.211 225 HE3 LYS 29 3HE LYS 29 -9.110 18.835 7.558 226 HZ1 LYS 29 3HZ LYS 29 -11.208 17.680 7.579 227 HZ2 LYS 29 1HZ LYS 29 -11.135 18.735 8.895 228 HZ3 LYS 29 2HZ LYS 29 -10.920 17.077 9.127 229 H GLY 30 H GLY 30 -10.443 11.902 6.108 230 HA2 GLY 30 2HA GLY 30 -12.167 10.261 6.128 231 HA3 GLY 30 3HA GLY 30 -13.385 11.531 6.179 232 H ASP 31 H ASP 31 -11.607 12.953 4.055 233 HA ASP 31 HA ASP 31 -13.100 11.895 1.788 234 HB2 ASP 31 2HB ASP 31 -12.716 14.459 2.458 235 HB3 ASP 31 3HB ASP 31 -11.216 14.270 1.555 236 H TYR 32 H TYR 32 -12.049 9.953 1.489 237 HA TYR 32 HA TYR 32 -9.252 9.569 1.266 238 HB2 TYR 32 2HB TYR 32 -11.447 7.729 0.240 239 HB3 TYR 32 3HB TYR 32 -9.786 7.275 0.618 240 HD1 TYR 32 HD1 TYR 32 -9.329 8.550 3.245 241 HD2 TYR 32 HD2 TYR 32 -12.803 6.543 1.776 242 HE1 TYR 32 HE1 TYR 32 -9.977 7.990 5.542 243 HE2 TYR 32 HE2 TYR 32 -13.445 5.969 4.075 244 HH TYR 32 HH TYR 32 -11.964 7.388 6.816 245 HA PRO 33 HA PRO 33 -10.075 9.753 -3.664 246 HB2 PRO 33 2HB PRO 33 -11.880 11.921 -4.114 247 HB3 PRO 33 3HB PRO 33 -12.195 10.204 -4.430 248 HG2 PRO 33 2HG PRO 33 -12.973 11.860 -2.072 249 HG3 PRO 33 3HG PRO 33 -13.858 10.543 -2.876 250 HD2 PRO 33 2HD PRO 33 -12.623 10.128 -0.535 251 HD3 PRO 33 3HD PRO 33 -12.618 8.867 -1.791 252 H GLN 34 H GLN 34 -10.692 12.785 -1.698 253 HA GLN 34 HA GLN 34 -8.980 14.439 -3.239 254 HB2 GLN 34 2HB GLN 34 -10.748 15.282 -1.667 255 HB3 GLN 34 3HB GLN 34 -9.726 14.837 -0.308 256 HG2 GLN 34 2HG GLN 34 -9.556 17.223 -0.733 257 HG3 GLN 34 3HG GLN 34 -8.009 16.454 -1.081 258 HE21 GLN 34 1HE2 GLN 34 -10.881 16.495 -3.182 259 HE22 GLN 34 2HE2 GLN 34 -10.159 17.425 -4.445 260 H ALA 35 H ALA 35 -8.357 12.432 -0.423 261 HA ALA 35 HA ALA 35 -5.722 13.075 0.211 262 HB1 ALA 35 3HB ALA 35 -5.537 10.772 1.057 263 HB2 ALA 35 1HB ALA 35 -6.998 10.317 0.161 264 HB3 ALA 35 2HB ALA 35 -7.097 11.468 1.488 265 H MET 36 H MET 36 -7.033 10.883 -2.241 266 HA MET 36 HA MET 36 -4.477 9.870 -3.100 267 HB2 MET 36 2HB MET 36 -6.549 8.502 -3.070 268 HB3 MET 36 3HB MET 36 -7.288 9.560 -4.261 269 HG2 MET 36 2HG MET 36 -4.763 8.001 -4.842 270 HG3 MET 36 3HG MET 36 -6.369 7.320 -5.082 271 HE1 MET 36 3HE MET 36 -7.828 9.701 -7.849 272 HE2 MET 36 1HE MET 36 -7.988 9.914 -6.106 273 HE3 MET 36 2HE MET 36 -8.142 8.306 -6.817 274 H LYS 37 H LYS 37 -6.618 12.484 -4.033 275 HA LYS 37 HA LYS 37 -5.506 13.034 -6.617 276 HB2 LYS 37 2HB LYS 37 -7.021 14.893 -4.724 277 HB3 LYS 37 3HB LYS 37 -6.686 15.224 -6.426 278 HG2 LYS 37 2HG LYS 37 -8.062 13.284 -7.086 279 HG3 LYS 37 3HG LYS 37 -8.373 12.931 -5.382 280 HD2 LYS 37 2HD LYS 37 -9.489 15.162 -5.158 281 HD3 LYS 37 3HD LYS 37 -9.236 15.437 -6.884 282 HE2 LYS 37 2HE LYS 37 -10.914 13.218 -5.661 283 HE3 LYS 37 3HE LYS 37 -11.524 14.687 -6.420 284 HZ1 LYS 37 3HZ LYS 37 -10.562 13.968 -8.509 285 HZ2 LYS 37 1HZ LYS 37 -11.638 12.809 -7.915 286 HZ3 LYS 37 2HZ LYS 37 -9.970 12.561 -7.784 287 H HIS 38 H HIS 38 -5.031 14.463 -3.372 288 HA HIS 38 HA HIS 38 -2.924 16.259 -4.082 289 HB2 HIS 38 2HB HIS 38 -3.805 15.110 -1.407 290 HB3 HIS 38 3HB HIS 38 -2.437 16.211 -1.532 291 HD1 HIS 38 HD1 HIS 38 -5.402 16.604 -0.171 292 HD2 HIS 38 HD2 HIS 38 -3.846 18.420 -3.570 293 HE1 HIS 38 HE1 HIS 38 -6.617 18.787 -0.388 294 HE2 HIS 38 HE2 HIS 38 -5.523 19.940 -2.335 295 H TYR 39 H TYR 39 -2.971 12.879 -3.146 296 HA TYR 39 HA TYR 39 -0.153 12.530 -2.879 297 HB2 TYR 39 2HB TYR 39 -2.454 10.633 -3.366 298 HB3 TYR 39 3HB TYR 39 -0.804 10.052 -3.476 299 HD1 TYR 39 HD2 TYR 39 0.487 11.456 -1.165 300 HD2 TYR 39 HD1 TYR 39 -3.316 9.533 -1.490 301 HE1 TYR 39 HE2 TYR 39 0.542 10.927 1.232 302 HE2 TYR 39 HE1 TYR 39 -3.257 8.995 0.898 303 HH TYR 39 HH TYR 39 -1.737 8.740 2.679 304 H THR 40 H THR 40 -2.420 12.071 -5.640 305 HA THR 40 HA THR 40 -0.520 11.095 -7.495 306 HB THR 40 HB THR 40 -3.146 12.564 -8.043 307 HG1 THR 40 HG1 THR 40 -3.956 10.715 -7.410 308 HG21 THR 40 3HG2 THR 40 -1.522 10.797 -9.925 309 HG22 THR 40 1HG2 THR 40 -1.696 12.549 -10.075 310 HG23 THR 40 2HG2 THR 40 -3.102 11.503 -10.269 311 H GLU 41 H GLU 41 -1.544 14.365 -6.647 312 HA GLU 41 HA GLU 41 -0.021 15.876 -8.455 313 HB2 GLU 41 2HB GLU 41 -1.786 16.919 -7.240 314 HB3 GLU 41 3HB GLU 41 -1.221 16.296 -5.697 315 HG2 GLU 41 2HG GLU 41 -0.863 18.653 -5.792 316 HG3 GLU 41 3HG GLU 41 0.683 17.825 -5.772 317 H ALA 42 H ALA 42 0.663 14.611 -5.188 318 HA ALA 42 HA ALA 42 3.270 15.655 -4.901 319 HB1 ALA 42 3HB ALA 42 2.043 13.216 -3.565 320 HB2 ALA 42 1HB ALA 42 1.937 14.878 -2.987 321 HB3 ALA 42 2HB ALA 42 3.502 14.061 -3.037 322 H ILE 43 H ILE 43 2.060 12.719 -6.464 323 HA ILE 43 HA ILE 43 4.508 11.320 -6.804 324 HB ILE 43 HB ILE 43 1.725 11.089 -7.912 325 HG12 ILE 43 2HG1 ILE 43 2.112 8.632 -7.467 326 HG13 ILE 43 3HG1 ILE 43 3.756 9.011 -6.978 327 HG21 ILE 43 1HG2 ILE 43 3.997 9.871 -9.516 328 HG22 ILE 43 2HG2 ILE 43 2.878 11.121 -10.065 329 HG23 ILE 43 3HG2 ILE 43 2.282 9.497 -9.721 330 HD11 ILE 43 3HD1 ILE 43 2.881 10.314 -5.102 331 HD12 ILE 43 1HD1 ILE 43 2.318 8.642 -5.078 332 HD13 ILE 43 2HD1 ILE 43 1.235 9.927 -5.612 333 H LYS 44 H LYS 44 2.973 13.940 -8.590 334 HA LYS 44 HA LYS 44 4.736 13.877 -10.875 335 HB2 LYS 44 2HB LYS 44 3.131 16.274 -9.895 336 HB3 LYS 44 3HB LYS 44 3.705 15.967 -11.533 337 HG2 LYS 44 2HG LYS 44 1.521 14.499 -10.040 338 HG3 LYS 44 3HG LYS 44 1.334 15.538 -11.453 339 HD2 LYS 44 2HD LYS 44 2.549 13.891 -12.842 340 HD3 LYS 44 3HD LYS 44 2.823 12.875 -11.423 341 HE2 LYS 44 2HE LYS 44 0.972 12.017 -12.799 342 HE3 LYS 44 3HE LYS 44 0.402 12.498 -11.200 343 HZ1 LYS 44 3HZ LYS 44 0.146 14.109 -13.686 344 HZ2 LYS 44 1HZ LYS 44 -0.411 14.563 -12.155 345 HZ3 LYS 44 2HZ LYS 44 -1.093 13.234 -12.939 346 H ARG 45 H ARG 45 4.859 15.195 -7.699 347 HA ARG 45 HA ARG 45 7.094 16.991 -8.139 348 HB2 ARG 45 2HB ARG 45 5.740 16.043 -5.579 349 HB3 ARG 45 3HB ARG 45 6.953 17.309 -5.670 350 HG2 ARG 45 2HG ARG 45 4.268 17.469 -7.061 351 HG3 ARG 45 3HG ARG 45 4.574 18.093 -5.443 352 HD2 ARG 45 2HD ARG 45 4.745 19.943 -6.929 353 HD3 ARG 45 3HD ARG 45 6.381 19.554 -6.443 354 HE ARG 45 HE ARG 45 6.887 18.939 -8.599 355 HH11 ARG 45 1HH1 ARG 45 3.399 19.496 -8.447 356 HH12 ARG 45 2HH1 ARG 45 3.219 19.458 -10.171 357 HH21 ARG 45 1HH2 ARG 45 6.603 18.844 -10.826 358 HH22 ARG 45 2HH2 ARG 45 5.025 19.087 -11.512 359 H ASN 46 H ASN 46 6.529 13.729 -6.887 360 HA ASN 46 HA ASN 46 9.399 13.150 -6.883 361 HB2 ASN 46 2HB ASN 46 9.124 11.951 -4.600 362 HB3 ASN 46 3HB ASN 46 9.272 13.698 -4.595 363 HD21 ASN 46 1HD2 ASN 46 6.454 11.494 -5.042 364 HD22 ASN 46 2HD2 ASN 46 5.502 12.248 -3.850 365 HA PRO 47 HA PRO 47 6.796 9.739 -8.785 366 HB2 PRO 47 2HB PRO 47 8.210 9.497 -11.122 367 HB3 PRO 47 3HB PRO 47 6.979 10.757 -10.893 368 HG2 PRO 47 2HG PRO 47 9.965 10.983 -10.616 369 HG3 PRO 47 3HG PRO 47 8.836 12.049 -11.485 370 HD2 PRO 47 2HD PRO 47 9.742 12.653 -9.001 371 HD3 PRO 47 3HD PRO 47 8.101 13.091 -9.530 372 H LYS 48 H LYS 48 9.989 10.126 -7.740 373 HA LYS 48 HA LYS 48 10.901 7.405 -8.249 374 HB2 LYS 48 2HB LYS 48 12.346 9.608 -6.714 375 HB3 LYS 48 3HB LYS 48 13.040 8.171 -7.454 376 HG2 LYS 48 2HG LYS 48 11.855 10.541 -8.927 377 HG3 LYS 48 3HG LYS 48 13.572 10.165 -8.767 378 HD2 LYS 48 2HD LYS 48 11.505 8.457 -10.199 379 HD3 LYS 48 3HD LYS 48 12.676 9.515 -10.987 380 HE2 LYS 48 2HE LYS 48 13.331 7.061 -9.315 381 HE3 LYS 48 3HE LYS 48 13.402 7.178 -11.070 382 HZ1 LYS 48 3HZ LYS 48 15.069 8.722 -9.164 383 HZ2 LYS 48 1HZ LYS 48 15.116 8.872 -10.846 384 HZ3 LYS 48 2HZ LYS 48 15.583 7.424 -10.113 385 H ASP 49 H ASP 49 9.009 8.899 -5.930 386 HA ASP 49 HA ASP 49 10.086 7.528 -3.576 387 HB2 ASP 49 2HB ASP 49 9.148 9.948 -3.560 388 HB3 ASP 49 3HB ASP 49 7.550 9.230 -3.697 389 H ALA 50 H ALA 50 9.426 5.525 -3.066 390 HA ALA 50 HA ALA 50 7.444 4.156 -4.638 391 HB1 ALA 50 3HB ALA 50 8.182 2.145 -3.434 392 HB2 ALA 50 1HB ALA 50 9.112 3.143 -2.309 393 HB3 ALA 50 2HB ALA 50 9.563 3.076 -4.013 394 H LYS 51 H LYS 51 7.580 5.348 -1.254 395 HA LYS 51 HA LYS 51 5.291 3.767 -0.460 396 HB2 LYS 51 2HB LYS 51 5.527 4.646 1.740 397 HB3 LYS 51 3HB LYS 51 7.137 4.350 1.128 398 HG2 LYS 51 2HG LYS 51 7.479 6.355 2.191 399 HG3 LYS 51 3HG LYS 51 7.087 6.949 0.578 400 HD2 LYS 51 2HD LYS 51 4.771 7.403 1.292 401 HD3 LYS 51 3HD LYS 51 5.110 6.722 2.885 402 HE2 LYS 51 2HE LYS 51 6.785 8.528 3.269 403 HE3 LYS 51 3HE LYS 51 6.365 9.223 1.701 404 HZ1 LYS 51 3HZ LYS 51 4.524 8.910 4.022 405 HZ2 LYS 51 1HZ LYS 51 4.089 9.555 2.518 406 HZ3 LYS 51 2HZ LYS 51 5.212 10.356 3.493 407 H LEU 52 H LEU 52 5.793 6.908 -1.805 408 HA LEU 52 HA LEU 52 3.373 8.175 -1.119 409 HB2 LEU 52 2HB LEU 52 5.619 8.668 -2.921 410 HB3 LEU 52 3HB LEU 52 4.132 9.060 -3.755 411 HG LEU 52 HG LEU 52 5.108 11.040 -2.663 412 HD11 LEU 52 1HD1 LEU 52 2.677 10.992 -2.943 413 HD12 LEU 52 2HD1 LEU 52 3.135 11.886 -1.497 414 HD13 LEU 52 3HD1 LEU 52 2.489 10.248 -1.351 415 HD21 LEU 52 3HD2 LEU 52 6.245 9.954 -0.779 416 HD22 LEU 52 1HD2 LEU 52 4.691 9.613 -0.016 417 HD23 LEU 52 2HD2 LEU 52 5.228 11.281 -0.231 418 H TYR 53 H TYR 53 4.147 5.871 -3.687 419 HA TYR 53 HA TYR 53 1.520 5.845 -4.862 420 HB2 TYR 53 2HB TYR 53 3.783 3.812 -5.008 421 HB3 TYR 53 3HB TYR 53 2.283 3.681 -5.921 422 HD1 TYR 53 HD1 TYR 53 1.825 5.207 -7.812 423 HD2 TYR 53 HD2 TYR 53 5.512 5.429 -5.668 424 HE1 TYR 53 HE1 TYR 53 2.810 6.541 -9.630 425 HE2 TYR 53 HE2 TYR 53 6.496 6.761 -7.481 426 HH TYR 53 HH TYR 53 6.178 7.160 -9.860 427 H SER 54 H SER 54 3.192 3.798 -2.398 428 HA SER 54 HA SER 54 1.145 1.847 -2.202 429 HB2 SER 54 2HB SER 54 2.268 1.052 -0.180 430 HB3 SER 54 3HB SER 54 3.469 1.457 -1.401 431 HG SER 54 HG SER 54 2.876 3.551 0.269 432 H ASN 55 H ASN 55 1.423 5.004 -0.786 433 HA ASN 55 HA ASN 55 -0.648 4.804 1.178 434 HB2 ASN 55 2HB ASN 55 0.592 7.187 -0.264 435 HB3 ASN 55 3HB ASN 55 -0.687 7.368 0.934 436 HD21 ASN 55 1HD2 ASN 55 0.662 8.586 2.275 437 HD22 ASN 55 2HD2 ASN 55 1.929 7.868 3.199 438 H ARG 56 H ARG 56 -0.564 5.837 -2.231 439 HA ARG 56 HA ARG 56 -3.343 6.391 -2.520 440 HB2 ARG 56 2HB ARG 56 -1.132 5.758 -4.505 441 HB3 ARG 56 3HB ARG 56 -2.799 5.920 -5.047 442 HG2 ARG 56 2HG ARG 56 -2.902 8.204 -4.257 443 HG3 ARG 56 3HG ARG 56 -1.296 8.069 -3.536 444 HD2 ARG 56 2HD ARG 56 -1.340 9.313 -5.703 445 HD3 ARG 56 3HD ARG 56 -0.254 7.923 -5.707 446 HE ARG 56 HE ARG 56 -2.884 8.089 -7.064 447 HH11 ARG 56 1HH1 ARG 56 0.271 6.607 -6.730 448 HH12 ARG 56 2HH1 ARG 56 0.097 5.607 -8.133 449 HH21 ARG 56 1HH2 ARG 56 -3.171 6.649 -8.836 450 HH22 ARG 56 2HH2 ARG 56 -1.851 5.634 -9.332 451 H ALA 57 H ALA 57 -1.421 3.446 -2.944 452 HA ALA 57 HA ALA 57 -3.436 1.744 -3.934 453 HB1 ALA 57 3HB ALA 57 -1.038 1.201 -4.047 454 HB2 ALA 57 1HB ALA 57 -1.935 -0.086 -3.243 455 HB3 ALA 57 2HB ALA 57 -0.974 1.048 -2.287 456 H ALA 58 H ALA 58 -2.443 2.624 -0.659 457 HA ALA 58 HA ALA 58 -4.226 0.929 0.784 458 HB1 ALA 58 3HB ALA 58 -2.922 3.537 1.633 459 HB2 ALA 58 1HB ALA 58 -2.213 1.932 1.790 460 HB3 ALA 58 2HB ALA 58 -3.658 2.348 2.714 461 H CYS 59 H CYS 59 -4.574 4.133 -0.674 462 HA CYS 59 HA CYS 59 -7.191 4.664 0.376 463 HB2 CYS 59 2HB CYS 59 -5.849 5.766 -2.140 464 HB3 CYS 59 3HB CYS 59 -7.315 6.407 -1.404 465 HG CYS 59 HG CYS 59 -4.126 6.913 -0.617 466 H TYR 60 H TYR 60 -5.921 3.154 -2.596 467 HA TYR 60 HA TYR 60 -8.343 2.956 -4.027 468 HB2 TYR 60 2HB TYR 60 -5.698 1.481 -4.319 469 HB3 TYR 60 3HB TYR 60 -7.054 1.175 -5.398 470 HD1 TYR 60 HD1 TYR 60 -8.116 3.977 -5.775 471 HD2 TYR 60 HD2 TYR 60 -4.100 2.498 -5.783 472 HE1 TYR 60 HE1 TYR 60 -7.435 5.822 -7.249 473 HE2 TYR 60 HE2 TYR 60 -3.422 4.350 -7.253 474 HH TYR 60 HH TYR 60 -5.471 7.043 -7.892 475 H THR 61 H THR 61 -6.831 0.746 -1.690 476 HA THR 61 HA THR 61 -8.578 -1.445 -2.006 477 HB THR 61 HB THR 61 -8.050 -1.989 0.399 478 HG1 THR 61 HG1 THR 61 -6.912 -0.589 1.633 479 HG21 THR 61 3HG2 THR 61 -5.619 -2.322 0.103 480 HG22 THR 61 1HG2 THR 61 -5.624 -1.195 -1.258 481 HG23 THR 61 2HG2 THR 61 -6.494 -2.725 -1.375 482 H LYS 62 H LYS 62 -8.873 1.551 -0.073 483 HA LYS 62 HA LYS 62 -11.285 0.913 1.294 484 HB2 LYS 62 2HB LYS 62 -9.458 2.685 1.855 485 HB3 LYS 62 3HB LYS 62 -10.256 3.709 0.675 486 HG2 LYS 62 2HG LYS 62 -11.076 4.419 2.743 487 HG3 LYS 62 3HG LYS 62 -12.379 3.431 2.083 488 HD2 LYS 62 2HD LYS 62 -10.340 2.154 3.911 489 HD3 LYS 62 3HD LYS 62 -11.597 3.173 4.613 490 HE2 LYS 62 2HE LYS 62 -13.332 1.720 3.646 491 HE3 LYS 62 3HE LYS 62 -12.087 0.720 2.902 492 HZ1 LYS 62 3HZ LYS 62 -12.441 1.128 5.824 493 HZ2 LYS 62 1HZ LYS 62 -11.266 0.148 5.103 494 HZ3 LYS 62 2HZ LYS 62 -12.903 -0.248 4.962 495 H LEU 63 H LEU 63 -10.524 2.345 -1.765 496 HA LEU 63 HA LEU 63 -13.218 3.286 -2.351 497 HB2 LEU 63 2HB LEU 63 -10.719 3.270 -4.106 498 HB3 LEU 63 3HB LEU 63 -12.200 4.166 -4.413 499 HG LEU 63 HG LEU 63 -10.275 4.688 -2.110 500 HD11 LEU 63 1HD1 LEU 63 -9.277 5.329 -4.235 501 HD12 LEU 63 2HD1 LEU 63 -9.683 6.757 -3.288 502 HD13 LEU 63 3HD1 LEU 63 -10.701 6.287 -4.653 503 HD21 LEU 63 3HD2 LEU 63 -12.776 6.205 -2.913 504 HD22 LEU 63 1HD2 LEU 63 -11.603 6.729 -1.698 505 HD23 LEU 63 2HD2 LEU 63 -12.535 5.254 -1.441 506 H LEU 64 H LEU 64 -11.902 0.268 -2.296 507 HA LEU 64 HA LEU 64 -12.380 -1.735 -3.191 508 HB2 LEU 64 2HB LEU 64 -14.698 -0.247 -4.465 509 HB3 LEU 64 3HB LEU 64 -14.418 -1.941 -4.811 510 HG LEU 64 HG LEU 64 -16.147 -1.804 -3.143 511 HD11 LEU 64 1HD1 LEU 64 -13.593 -2.691 -1.763 512 HD12 LEU 64 2HD1 LEU 64 -14.575 -3.663 -2.861 513 HD13 LEU 64 3HD1 LEU 64 -15.241 -3.147 -1.315 514 HD21 LEU 64 3HD2 LEU 64 -14.285 -0.162 -1.397 515 HD22 LEU 64 1HD2 LEU 64 -15.903 -0.721 -0.959 516 HD23 LEU 64 2HD2 LEU 64 -15.696 0.447 -2.263 517 H GLU 65 H GLU 65 -10.920 0.562 -4.785 518 HA GLU 65 HA GLU 65 -10.779 -0.488 -7.492 519 HB2 GLU 65 2HB GLU 65 -9.262 1.753 -6.075 520 HB3 GLU 65 3HB GLU 65 -9.183 1.416 -7.801 521 HG2 GLU 65 2HG GLU 65 -11.680 2.259 -6.296 522 HG3 GLU 65 3HG GLU 65 -10.657 3.334 -7.251 523 H PHE 66 H PHE 66 -10.039 -2.478 -5.749 524 HA PHE 66 HA PHE 66 -7.377 -2.714 -4.970 525 HB2 PHE 66 2HB PHE 66 -9.372 -4.861 -5.790 526 HB3 PHE 66 3HB PHE 66 -7.783 -5.232 -5.135 527 HD1 PHE 66 HD2 PHE 66 -11.092 -3.755 -4.344 528 HD2 PHE 66 HD1 PHE 66 -7.334 -5.064 -2.776 529 HE1 PHE 66 HE2 PHE 66 -12.004 -3.655 -2.062 530 HE2 PHE 66 HE1 PHE 66 -8.255 -4.970 -0.500 531 HZ PHE 66 HZ PHE 66 -10.589 -4.266 -0.144 532 H GLN 67 H GLN 67 -8.864 -3.226 -8.135 533 HA GLN 67 HA GLN 67 -6.883 -4.550 -9.560 534 HB2 GLN 67 2HB GLN 67 -8.553 -2.211 -10.581 535 HB3 GLN 67 3HB GLN 67 -7.744 -3.409 -11.583 536 HG2 GLN 67 2HG GLN 67 -10.076 -3.902 -9.718 537 HG3 GLN 67 3HG GLN 67 -10.148 -3.812 -11.474 538 HE21 GLN 67 1HE2 GLN 67 -9.270 -5.789 -8.733 539 HE22 GLN 67 2HE2 GLN 67 -9.020 -7.253 -9.613 540 H LEU 68 H LEU 68 -7.149 -1.127 -8.687 541 HA LEU 68 HA LEU 68 -4.735 -0.323 -10.064 542 HB2 LEU 68 2HB LEU 68 -6.343 1.243 -7.993 543 HB3 LEU 68 3HB LEU 68 -5.137 1.892 -9.096 544 HG LEU 68 HG LEU 68 -7.909 0.863 -9.785 545 HD11 LEU 68 1HD1 LEU 68 -7.837 3.141 -8.920 546 HD12 LEU 68 2HD1 LEU 68 -8.285 3.130 -10.624 547 HD13 LEU 68 3HD1 LEU 68 -6.649 3.595 -10.146 548 HD21 LEU 68 3HD2 LEU 68 -5.709 1.619 -11.739 549 HD22 LEU 68 1HD2 LEU 68 -7.403 1.347 -12.158 550 HD23 LEU 68 2HD2 LEU 68 -6.436 0.021 -11.520 551 H ALA 69 H ALA 69 -5.756 -0.944 -6.719 552 HA ALA 69 HA ALA 69 -3.480 -0.138 -5.315 553 HB1 ALA 69 3HB ALA 69 -5.385 -2.388 -4.581 554 HB2 ALA 69 1HB ALA 69 -5.639 -0.677 -4.241 555 HB3 ALA 69 2HB ALA 69 -4.299 -1.536 -3.479 556 H LEU 70 H LEU 70 -4.104 -3.168 -7.013 557 HA LEU 70 HA LEU 70 -1.857 -4.663 -6.148 558 HB2 LEU 70 2HB LEU 70 -3.387 -4.724 -8.783 559 HB3 LEU 70 3HB LEU 70 -2.214 -5.940 -8.307 560 HG LEU 70 HG LEU 70 -4.732 -5.399 -6.689 561 HD11 LEU 70 1HD1 LEU 70 -4.394 -7.425 -8.919 562 HD12 LEU 70 2HD1 LEU 70 -5.429 -5.993 -8.947 563 HD13 LEU 70 3HD1 LEU 70 -5.774 -7.304 -7.826 564 HD21 LEU 70 3HD2 LEU 70 -2.900 -7.818 -6.778 565 HD22 LEU 70 1HD2 LEU 70 -4.351 -7.644 -5.787 566 HD23 LEU 70 2HD2 LEU 70 -2.957 -6.606 -5.494 567 H LYS 71 H LYS 71 -2.350 -2.939 -9.253 568 HA LYS 71 HA LYS 71 0.318 -3.285 -10.142 569 HB2 LYS 71 2HB LYS 71 -0.328 -1.883 -12.057 570 HB3 LYS 71 3HB LYS 71 -1.574 -3.072 -11.698 571 HG2 LYS 71 2HG LYS 71 -2.883 -1.291 -10.525 572 HG3 LYS 71 3HG LYS 71 -1.664 -0.114 -11.013 573 HD2 LYS 71 2HD LYS 71 -3.400 -1.755 -12.913 574 HD3 LYS 71 3HD LYS 71 -3.656 -0.063 -12.491 575 HE2 LYS 71 2HE LYS 71 -1.470 0.512 -13.515 576 HE3 LYS 71 3HE LYS 71 -1.243 -1.182 -13.958 577 HZ1 LYS 71 3HZ LYS 71 -3.433 0.586 -14.926 578 HZ2 LYS 71 1HZ LYS 71 -3.226 -1.040 -15.342 579 HZ3 LYS 71 2HZ LYS 71 -2.080 0.103 -15.816 580 H ASP 72 H ASP 72 -1.122 -0.872 -8.170 581 HA ASP 72 HA ASP 72 0.642 1.321 -8.790 582 HB2 ASP 72 2HB ASP 72 -1.830 1.400 -7.904 583 HB3 ASP 72 3HB ASP 72 -1.126 1.128 -6.312 584 H CYS 73 H CYS 73 0.404 -1.178 -6.287 585 HA CYS 73 HA CYS 73 2.776 -0.257 -4.885 586 HB2 CYS 73 2HB CYS 73 2.483 -2.184 -3.446 587 HB3 CYS 73 3HB CYS 73 0.906 -1.448 -3.698 588 HG CYS 73 HG CYS 73 -0.203 -3.419 -5.073 589 H GLU 74 H GLU 74 1.947 -2.664 -7.360 590 HA GLU 74 HA GLU 74 4.322 -4.188 -7.372 591 HB2 GLU 74 2HB GLU 74 2.310 -3.621 -9.581 592 HB3 GLU 74 3HB GLU 74 3.660 -4.729 -9.797 593 HG2 GLU 74 2HG GLU 74 2.794 -6.164 -7.991 594 HG3 GLU 74 3HG GLU 74 1.459 -5.043 -7.731 595 H GLU 75 H GLU 75 3.667 -1.048 -8.861 596 HA GLU 75 HA GLU 75 6.096 -1.076 -10.445 597 HB2 GLU 75 2HB GLU 75 5.525 1.221 -11.050 598 HB3 GLU 75 3HB GLU 75 4.136 0.157 -11.236 599 HG2 GLU 75 2HG GLU 75 3.126 1.028 -9.198 600 HG3 GLU 75 3HG GLU 75 4.557 2.004 -8.862 601 H CYS 76 H CYS 76 5.204 -0.080 -7.221 602 HA CYS 76 HA CYS 76 7.241 1.766 -6.610 603 HB2 CYS 76 2HB CYS 76 5.965 -0.199 -4.673 604 HB3 CYS 76 3HB CYS 76 6.747 1.325 -4.262 605 HG CYS 76 HG CYS 76 4.339 1.906 -6.407 606 H ILE 77 H ILE 77 7.328 -1.702 -6.901 607 HA ILE 77 HA ILE 77 9.632 -2.313 -5.389 608 HB ILE 77 HB ILE 77 7.768 -3.850 -6.533 609 HG12 ILE 77 2HG1 ILE 77 9.571 -4.644 -4.930 610 HG13 ILE 77 3HG1 ILE 77 9.023 -5.847 -6.083 611 HG21 ILE 77 1HG2 ILE 77 8.491 -5.066 -8.526 612 HG22 ILE 77 2HG2 ILE 77 9.941 -4.067 -8.641 613 HG23 ILE 77 3HG2 ILE 77 8.349 -3.338 -8.863 614 HD11 ILE 77 3HD1 ILE 77 11.053 -5.543 -7.383 615 HD12 ILE 77 1HD1 ILE 77 11.410 -5.953 -5.706 616 HD13 ILE 77 2HD1 ILE 77 11.594 -4.292 -6.262 617 H GLN 78 H GLN 78 9.209 -0.902 -8.550 618 HA GLN 78 HA GLN 78 11.851 -1.385 -9.588 619 HB2 GLN 78 2HB GLN 78 9.716 0.643 -10.420 620 HB3 GLN 78 3HB GLN 78 11.163 0.259 -11.347 621 HG2 GLN 78 2HG GLN 78 8.980 -1.739 -10.678 622 HG3 GLN 78 3HG GLN 78 9.095 -0.854 -12.196 623 HE21 GLN 78 1HE2 GLN 78 10.544 -3.365 -10.234 624 HE22 GLN 78 2HE2 GLN 78 11.493 -4.071 -11.485 625 H LEU 79 H LEU 79 10.416 1.002 -7.520 626 HA LEU 79 HA LEU 79 12.559 2.981 -7.829 627 HB2 LEU 79 2HB LEU 79 10.071 2.996 -6.067 628 HB3 LEU 79 3HB LEU 79 11.133 4.369 -6.360 629 HG LEU 79 HG LEU 79 9.449 3.001 -8.500 630 HD11 LEU 79 1HD1 LEU 79 8.004 4.129 -6.892 631 HD12 LEU 79 2HD1 LEU 79 8.012 4.990 -8.428 632 HD13 LEU 79 3HD1 LEU 79 8.932 5.622 -7.060 633 HD21 LEU 79 3HD2 LEU 79 10.035 4.948 -9.906 634 HD22 LEU 79 1HD2 LEU 79 11.459 4.013 -9.446 635 HD23 LEU 79 2HD2 LEU 79 11.108 5.543 -8.638 636 H GLU 80 H GLU 80 11.049 1.079 -5.233 637 HA GLU 80 HA GLU 80 13.572 0.711 -3.835 638 HB2 GLU 80 2HB GLU 80 12.774 2.785 -2.789 639 HB3 GLU 80 3HB GLU 80 11.174 2.094 -2.536 640 HG2 GLU 80 2HG GLU 80 12.234 0.389 -0.997 641 HG3 GLU 80 3HG GLU 80 13.756 1.264 -1.162 642 HA PRO 81 HA PRO 81 11.175 -3.226 -3.885 643 HB2 PRO 81 2HB PRO 81 13.270 -4.813 -2.976 644 HB3 PRO 81 3HB PRO 81 13.061 -4.315 -4.665 645 HG2 PRO 81 2HG PRO 81 14.820 -3.107 -2.556 646 HG3 PRO 81 3HG PRO 81 15.191 -3.479 -4.256 647 HD2 PRO 81 2HD PRO 81 14.604 -0.974 -3.482 648 HD3 PRO 81 3HD PRO 81 14.059 -1.599 -5.058 649 H THR 82 H THR 82 12.728 -1.707 -1.136 650 HA THR 82 HA THR 82 11.621 -3.601 0.805 651 HB THR 82 HB THR 82 12.764 -1.958 2.479 652 HG1 THR 82 HG1 THR 82 13.431 -0.191 1.516 653 HG21 THR 82 3HG2 THR 82 13.736 -4.161 1.890 654 HG22 THR 82 1HG2 THR 82 14.989 -2.935 2.093 655 HG23 THR 82 2HG2 THR 82 14.508 -3.442 0.473 656 H PHE 83 H PHE 83 10.007 -1.440 -0.870 657 HA PHE 83 HA PHE 83 8.721 0.216 1.030 658 HB2 PHE 83 2HB PHE 83 7.041 0.625 -0.664 659 HB3 PHE 83 3HB PHE 83 8.598 0.526 -1.472 660 HD1 PHE 83 HD1 PHE 83 9.194 -1.871 -2.497 661 HD2 PHE 83 HD2 PHE 83 5.245 -0.610 -1.527 662 HE1 PHE 83 HE1 PHE 83 8.286 -3.570 -4.002 663 HE2 PHE 83 HE2 PHE 83 4.340 -2.319 -3.050 664 HZ PHE 83 HZ PHE 83 5.857 -3.800 -4.288 665 H ILE 84 H ILE 84 7.615 -0.501 2.787 666 HA ILE 84 HA ILE 84 6.934 -3.323 2.996 667 HB ILE 84 HB ILE 84 6.809 -1.096 5.081 668 HG12 ILE 84 2HG1 ILE 84 8.823 -3.334 4.571 669 HG13 ILE 84 3HG1 ILE 84 9.106 -1.606 4.412 670 HG21 ILE 84 1HG2 ILE 84 6.507 -2.866 6.774 671 HG22 ILE 84 2HG2 ILE 84 6.413 -4.083 5.501 672 HG23 ILE 84 3HG2 ILE 84 5.162 -2.845 5.631 673 HD11 ILE 84 3HD1 ILE 84 10.149 -2.422 6.395 674 HD12 ILE 84 1HD1 ILE 84 8.639 -3.134 6.963 675 HD13 ILE 84 2HD1 ILE 84 8.805 -1.377 6.853 676 H LYS 85 H LYS 85 5.169 -0.224 3.098 677 HA LYS 85 HA LYS 85 2.652 -1.250 3.858 678 HB2 LYS 85 2HB LYS 85 3.249 1.270 2.269 679 HB3 LYS 85 3HB LYS 85 1.720 0.915 3.061 680 HG2 LYS 85 2HG LYS 85 4.379 1.353 4.464 681 HG3 LYS 85 3HG LYS 85 3.090 2.541 4.307 682 HD2 LYS 85 2HD LYS 85 2.743 1.758 6.474 683 HD3 LYS 85 3HD LYS 85 1.617 0.752 5.569 684 HE2 LYS 85 2HE LYS 85 3.204 -1.110 5.635 685 HE3 LYS 85 3HE LYS 85 4.407 -0.092 6.426 686 HZ1 LYS 85 3HZ LYS 85 3.255 -1.535 8.000 687 HZ2 LYS 85 1HZ LYS 85 1.768 -0.844 7.585 688 HZ3 LYS 85 2HZ LYS 85 2.956 0.090 8.342 689 H GLY 86 H GLY 86 4.173 -0.959 0.700 690 HA2 GLY 86 2HA GLY 86 1.912 -1.557 -0.909 691 HA3 GLY 86 3HA GLY 86 3.591 -1.792 -1.348 692 H TYR 87 H TYR 87 4.471 -3.680 0.490 693 HA TYR 87 HA TYR 87 3.452 -6.153 -0.398 694 HB2 TYR 87 2HB TYR 87 5.165 -5.395 1.993 695 HB3 TYR 87 3HB TYR 87 4.649 -7.058 1.748 696 HD1 TYR 87 HD2 TYR 87 6.126 -4.367 -0.449 697 HD2 TYR 87 HD1 TYR 87 6.327 -8.412 0.884 698 HE1 TYR 87 HE2 TYR 87 8.096 -4.738 -1.862 699 HE2 TYR 87 HE1 TYR 87 8.302 -8.782 -0.537 700 HH TYR 87 HH TYR 87 10.031 -6.209 -1.976 701 H THR 88 H THR 88 2.718 -4.262 2.510 702 HA THR 88 HA THR 88 1.209 -6.174 3.929 703 HB THR 88 HB THR 88 0.865 -3.137 4.112 704 HG1 THR 88 HG1 THR 88 2.960 -4.812 5.018 705 HG21 THR 88 3HG2 THR 88 -0.722 -4.472 5.478 706 HG22 THR 88 1HG2 THR 88 0.416 -3.579 6.492 707 HG23 THR 88 2HG2 THR 88 0.637 -5.309 6.231 708 H ARG 89 H ARG 89 0.271 -3.603 1.663 709 HA ARG 89 HA ARG 89 -2.573 -4.177 1.807 710 HB2 ARG 89 2HB ARG 89 -0.900 -2.115 0.346 711 HB3 ARG 89 3HB ARG 89 -2.568 -2.376 -0.139 712 HG2 ARG 89 2HG ARG 89 -2.324 -0.451 1.393 713 HG3 ARG 89 3HG ARG 89 -3.381 -1.694 2.056 714 HD2 ARG 89 2HD ARG 89 -1.607 -2.455 3.552 715 HD3 ARG 89 3HD ARG 89 -0.463 -1.332 2.820 716 HE ARG 89 HE ARG 89 -2.013 0.475 3.710 717 HH11 ARG 89 1HH1 ARG 89 -1.624 -2.613 5.348 718 HH12 ARG 89 2HH1 ARG 89 -1.996 -1.970 6.914 719 HH21 ARG 89 1HH2 ARG 89 -2.483 1.299 5.773 720 HH22 ARG 89 2HH2 ARG 89 -2.484 0.245 7.151 721 H LYS 90 H LYS 90 0.110 -5.095 -0.265 722 HA LYS 90 HA LYS 90 -1.394 -5.988 -2.536 723 HB2 LYS 90 2HB LYS 90 1.064 -5.528 -2.660 724 HB3 LYS 90 3HB LYS 90 1.374 -6.865 -1.561 725 HG2 LYS 90 2HG LYS 90 1.871 -7.597 -3.799 726 HG3 LYS 90 3HG LYS 90 0.409 -8.431 -3.262 727 HD2 LYS 90 2HD LYS 90 -0.960 -6.757 -4.536 728 HD3 LYS 90 3HD LYS 90 0.536 -6.030 -5.135 729 HE2 LYS 90 2HE LYS 90 -0.453 -8.853 -5.663 730 HE3 LYS 90 3HE LYS 90 -0.383 -7.527 -6.822 731 HZ1 LYS 90 3HZ LYS 90 1.949 -8.843 -5.536 732 HZ2 LYS 90 1HZ LYS 90 2.037 -7.554 -6.627 733 HZ3 LYS 90 2HZ LYS 90 1.443 -9.056 -7.135 734 H ALA 91 H ALA 91 -0.074 -7.513 0.360 735 HA ALA 91 HA ALA 91 -0.927 -10.162 -0.101 736 HB1 ALA 91 3HB ALA 91 0.821 -9.527 1.517 737 HB2 ALA 91 1HB ALA 91 -0.448 -10.481 2.283 738 HB3 ALA 91 2HB ALA 91 -0.389 -8.734 2.526 739 H ALA 92 H ALA 92 -2.408 -7.398 1.559 740 HA ALA 92 HA ALA 92 -4.792 -8.679 2.444 741 HB1 ALA 92 3HB ALA 92 -5.622 -6.400 2.846 742 HB2 ALA 92 1HB ALA 92 -4.278 -5.731 1.906 743 HB3 ALA 92 2HB ALA 92 -3.965 -6.575 3.422 744 H ALA 93 H ALA 93 -3.878 -7.073 -0.563 745 HA ALA 93 HA ALA 93 -6.505 -6.937 -1.701 746 HB1 ALA 93 3HB ALA 93 -4.704 -5.442 -2.451 747 HB2 ALA 93 1HB ALA 93 -5.355 -6.373 -3.799 748 HB3 ALA 93 2HB ALA 93 -3.800 -6.820 -3.085 749 H LEU 94 H LEU 94 -3.727 -9.131 -2.213 750 HA LEU 94 HA LEU 94 -4.908 -10.946 -3.982 751 HB2 LEU 94 2HB LEU 94 -2.677 -11.323 -1.950 752 HB3 LEU 94 3HB LEU 94 -3.156 -12.594 -3.065 753 HG LEU 94 HG LEU 94 -2.066 -9.871 -3.890 754 HD11 LEU 94 1HD1 LEU 94 -0.695 -12.580 -3.932 755 HD12 LEU 94 2HD1 LEU 94 -0.339 -11.247 -2.830 756 HD13 LEU 94 3HD1 LEU 94 -0.036 -11.063 -4.555 757 HD21 LEU 94 3HD2 LEU 94 -1.966 -10.814 -6.163 758 HD22 LEU 94 1HD2 LEU 94 -3.622 -10.758 -5.563 759 HD23 LEU 94 2HD2 LEU 94 -2.750 -12.293 -5.599 760 H GLU 95 H GLU 95 -4.820 -10.920 -0.419 761 HA GLU 95 HA GLU 95 -6.274 -13.220 0.186 762 HB2 GLU 95 2HB GLU 95 -5.124 -11.741 1.836 763 HB3 GLU 95 3HB GLU 95 -6.343 -10.505 1.597 764 HG2 GLU 95 2HG GLU 95 -6.932 -13.256 2.731 765 HG3 GLU 95 3HG GLU 95 -6.494 -11.877 3.733 766 H ALA 96 H ALA 96 -7.415 -10.006 -0.913 767 HA ALA 96 HA ALA 96 -10.236 -10.616 -0.599 768 HB1 ALA 96 3HB ALA 96 -10.605 -8.426 -1.666 769 HB2 ALA 96 1HB ALA 96 -8.884 -8.318 -2.079 770 HB3 ALA 96 2HB ALA 96 -9.394 -8.296 -0.393 771 H MET 97 H MET 97 -7.853 -11.376 -2.951 772 HA MET 97 HA MET 97 -9.810 -11.758 -5.151 773 HB2 MET 97 2HB MET 97 -6.768 -12.122 -5.181 774 HB3 MET 97 3HB MET 97 -7.839 -12.148 -6.577 775 HG2 MET 97 2HG MET 97 -7.288 -9.758 -4.824 776 HG3 MET 97 3HG MET 97 -6.606 -10.050 -6.423 777 HE1 MET 97 3HE MET 97 -7.403 -7.650 -7.214 778 HE2 MET 97 1HE MET 97 -8.044 -7.359 -5.596 779 HE3 MET 97 2HE MET 97 -9.049 -7.058 -7.015 780 H LYS 98 H LYS 98 -9.139 -13.368 -2.500 781 HA LYS 98 HA LYS 98 -9.331 -15.464 -1.711 782 HB2 LYS 98 2HB LYS 98 -10.005 -16.274 -4.573 783 HB3 LYS 98 3HB LYS 98 -10.208 -17.306 -3.162 784 HG2 LYS 98 2HG LYS 98 -11.676 -14.683 -3.632 785 HG3 LYS 98 3HG LYS 98 -12.340 -16.288 -3.936 786 HD2 LYS 98 2HD LYS 98 -11.473 -15.208 -1.226 787 HD3 LYS 98 3HD LYS 98 -13.139 -15.360 -1.789 788 HE2 LYS 98 2HE LYS 98 -11.208 -17.668 -1.360 789 HE3 LYS 98 3HE LYS 98 -12.507 -17.200 -0.266 790 HZ1 LYS 98 3HZ LYS 98 -13.140 -19.055 -1.663 791 HZ2 LYS 98 1HZ LYS 98 -12.867 -18.141 -3.058 792 HZ3 LYS 98 2HZ LYS 98 -14.105 -17.709 -1.993 793 H ASP 99 H ASP 99 -6.842 -14.419 -3.309 794 HA ASP 99 HA ASP 99 -5.394 -16.885 -3.904 795 HB2 ASP 99 2HB ASP 99 -4.716 -13.929 -4.234 796 HB3 ASP 99 3HB ASP 99 -3.539 -15.197 -4.540 797 H TYR 100 H TYR 100 -6.019 -16.843 -1.271 798 HA TYR 100 HA TYR 100 -4.336 -15.737 0.601 799 HB2 TYR 100 2HB TYR 100 -5.387 -18.592 0.699 800 HB3 TYR 100 3HB TYR 100 -4.999 -17.557 2.073 801 HD1 TYR 100 HD1 TYR 100 -6.301 -15.072 1.680 802 HD2 TYR 100 HD2 TYR 100 -7.703 -18.925 0.513 803 HE1 TYR 100 HE1 TYR 100 -8.601 -14.260 1.707 804 HE2 TYR 100 HE2 TYR 100 -10.014 -18.105 0.557 805 HH TYR 100 HH TYR 100 -11.277 -16.282 1.705 806 H THR 101 H THR 101 -3.781 -18.583 -1.396 807 HA THR 101 HA THR 101 -1.403 -19.556 -0.279 808 HB THR 101 HB THR 101 -1.036 -20.558 -2.602 809 HG1 THR 101 HG1 THR 101 -2.957 -20.264 -4.003 810 HG21 THR 101 3HG2 THR 101 -3.009 -22.038 -2.498 811 HG22 THR 101 1HG2 THR 101 -3.797 -20.924 -1.376 812 HG23 THR 101 2HG2 THR 101 -2.328 -21.775 -0.895 813 H LYS 102 H LYS 102 -1.963 -16.972 -2.667 814 HA LYS 102 HA LYS 102 0.886 -16.604 -3.223 815 HB2 LYS 102 2HB LYS 102 -1.361 -14.701 -4.026 816 HB3 LYS 102 3HB LYS 102 0.184 -14.968 -4.833 817 HG2 LYS 102 2HG LYS 102 -2.134 -16.907 -4.700 818 HG3 LYS 102 3HG LYS 102 -1.679 -15.935 -6.101 819 HD2 LYS 102 2HD LYS 102 0.401 -17.189 -6.353 820 HD3 LYS 102 3HD LYS 102 0.105 -18.065 -4.845 821 HE2 LYS 102 2HE LYS 102 -1.821 -19.183 -5.797 822 HE3 LYS 102 3HE LYS 102 -1.728 -18.199 -7.254 823 HZ1 LYS 102 3HZ LYS 102 -0.808 -20.395 -7.621 824 HZ2 LYS 102 1HZ LYS 102 0.302 -20.181 -6.363 825 HZ3 LYS 102 2HZ LYS 102 0.412 -19.233 -7.757 826 H ALA 103 H ALA 103 -1.671 -15.149 -1.354 827 HA ALA 103 HA ALA 103 -0.514 -12.667 -0.728 828 HB1 ALA 103 3HB ALA 103 -2.277 -12.477 0.959 829 HB2 ALA 103 1HB ALA 103 -2.646 -14.203 0.801 830 HB3 ALA 103 2HB ALA 103 -2.932 -13.107 -0.553 831 H MET 104 H MET 104 -0.530 -15.792 0.961 832 HA MET 104 HA MET 104 0.612 -14.983 3.393 833 HB2 MET 104 2HB MET 104 1.136 -17.363 3.766 834 HB3 MET 104 3HB MET 104 -0.497 -17.134 3.169 835 HG2 MET 104 2HG MET 104 0.238 -17.839 0.922 836 HG3 MET 104 3HG MET 104 1.872 -18.074 1.542 837 HE1 MET 104 3HE MET 104 -1.914 -19.212 2.072 838 HE2 MET 104 1HE MET 104 -1.328 -18.958 3.719 839 HE3 MET 104 2HE MET 104 -1.678 -20.589 3.148 840 H ASP 105 H ASP 105 2.153 -15.846 0.337 841 HA ASP 105 HA ASP 105 4.854 -15.863 1.202 842 HB2 ASP 105 2HB ASP 105 3.628 -15.154 -1.504 843 HB3 ASP 105 3HB ASP 105 5.367 -15.231 -1.235 844 H VAL 106 H VAL 106 2.630 -13.257 0.271 845 HA VAL 106 HA VAL 106 4.705 -11.217 0.219 846 HB VAL 106 HB VAL 106 1.688 -10.717 0.185 847 HG11 VAL 106 1HG1 VAL 106 4.011 -9.133 -0.991 848 HG12 VAL 106 2HG1 VAL 106 3.110 -8.718 0.471 849 HG13 VAL 106 3HG1 VAL 106 2.304 -8.698 -1.098 850 HG21 VAL 106 3HG2 VAL 106 1.762 -10.865 -2.279 851 HG22 VAL 106 1HG2 VAL 106 2.179 -12.408 -1.531 852 HG23 VAL 106 2HG2 VAL 106 3.448 -11.386 -2.206 853 H TYR 107 H TYR 107 2.318 -12.443 2.515 854 HA TYR 107 HA TYR 107 2.507 -10.412 4.502 855 HB2 TYR 107 2HB TYR 107 1.702 -13.356 4.677 856 HB3 TYR 107 3HB TYR 107 1.784 -12.343 6.112 857 HD1 TYR 107 HD1 TYR 107 0.406 -10.060 5.951 858 HD2 TYR 107 HD2 TYR 107 -0.396 -13.502 3.586 859 HE1 TYR 107 HE1 TYR 107 -1.893 -9.272 5.587 860 HE2 TYR 107 HE2 TYR 107 -2.682 -12.718 3.213 861 HH TYR 107 HH TYR 107 -3.697 -9.615 3.861 862 H GLN 108 H GLN 108 4.188 -13.511 4.030 863 HA GLN 108 HA GLN 108 5.926 -13.421 6.247 864 HB2 GLN 108 2HB GLN 108 5.359 -15.408 4.664 865 HB3 GLN 108 3HB GLN 108 6.581 -14.760 3.587 866 HG2 GLN 108 2HG GLN 108 7.191 -15.542 6.446 867 HG3 GLN 108 3HG GLN 108 7.261 -16.691 5.119 868 HE21 GLN 108 1HE2 GLN 108 8.752 -13.876 6.533 869 HE22 GLN 108 2HE2 GLN 108 10.237 -13.977 5.659 870 H LYS 109 H LYS 109 6.413 -12.458 2.828 871 HA LYS 109 HA LYS 109 9.040 -11.481 3.125 872 HB2 LYS 109 2HB LYS 109 6.946 -10.966 0.980 873 HB3 LYS 109 3HB LYS 109 8.583 -10.321 0.884 874 HG2 LYS 109 2HG LYS 109 7.797 -13.248 0.963 875 HG3 LYS 109 3HG LYS 109 8.396 -12.363 -0.440 876 HD2 LYS 109 2HD LYS 109 9.973 -12.928 2.110 877 HD3 LYS 109 3HD LYS 109 10.136 -13.791 0.583 878 HE2 LYS 109 2HE LYS 109 10.906 -11.741 -0.522 879 HE3 LYS 109 3HE LYS 109 10.681 -10.833 0.973 880 HZ1 LYS 109 3HZ LYS 109 12.611 -13.055 0.566 881 HZ2 LYS 109 1HZ LYS 109 12.386 -12.204 2.011 882 HZ3 LYS 109 2HZ LYS 109 12.984 -11.410 0.646 883 H ALA 110 H ALA 110 5.924 -9.907 3.622 884 HA ALA 110 HA ALA 110 6.889 -7.223 3.844 885 HB1 ALA 110 3HB ALA 110 4.743 -6.755 4.922 886 HB2 ALA 110 1HB ALA 110 4.452 -8.482 5.170 887 HB3 ALA 110 2HB ALA 110 4.487 -7.814 3.538 888 H LEU 111 H LEU 111 6.278 -9.801 6.235 889 HA LEU 111 HA LEU 111 7.270 -8.471 8.542 890 HB2 LEU 111 2HB LEU 111 7.131 -11.448 7.905 891 HB3 LEU 111 3HB LEU 111 7.437 -10.788 9.505 892 HG LEU 111 HG LEU 111 4.865 -10.347 7.932 893 HD11 LEU 111 1HD1 LEU 111 5.105 -12.709 8.536 894 HD12 LEU 111 2HD1 LEU 111 3.805 -11.944 9.444 895 HD13 LEU 111 3HD1 LEU 111 5.354 -12.268 10.229 896 HD21 LEU 111 3HD2 LEU 111 5.305 -8.529 9.488 897 HD22 LEU 111 1HD2 LEU 111 5.552 -9.674 10.811 898 HD23 LEU 111 2HD2 LEU 111 3.960 -9.509 10.062 899 H ASP 112 H ASP 112 8.798 -10.211 5.964 900 HA ASP 112 HA ASP 112 11.340 -10.773 7.119 901 HB2 ASP 112 2HB ASP 112 10.550 -12.110 5.254 902 HB3 ASP 112 3HB ASP 112 10.307 -10.693 4.250 903 H LEU 113 H LEU 113 10.038 -8.128 5.116 904 HA LEU 113 HA LEU 113 12.394 -6.677 4.662 905 HB2 LEU 113 2HB LEU 113 9.586 -5.563 5.058 906 HB3 LEU 113 3HB LEU 113 10.937 -4.671 4.380 907 HG LEU 113 HG LEU 113 9.526 -7.049 3.117 908 HD11 LEU 113 1HD1 LEU 113 8.241 -4.981 2.982 909 HD12 LEU 113 2HD1 LEU 113 8.827 -5.464 1.393 910 HD13 LEU 113 3HD1 LEU 113 9.621 -4.146 2.259 911 HD21 LEU 113 3HD2 LEU 113 11.919 -5.515 2.059 912 HD22 LEU 113 1HD2 LEU 113 10.979 -6.702 1.151 913 HD23 LEU 113 2HD2 LEU 113 11.888 -7.207 2.573 914 H ASP 114 H ASP 114 9.929 -6.078 7.201 915 HA ASP 114 HA ASP 114 11.879 -5.858 9.273 916 HB2 ASP 114 2HB ASP 114 12.109 -3.583 8.132 917 HB3 ASP 114 3HB ASP 114 10.449 -3.236 8.588 918 H SER 115 H SER 115 10.963 -5.753 11.312 919 HA SER 115 HA SER 115 8.498 -7.083 11.627 920 HB2 SER 115 2HB SER 115 8.950 -6.739 14.100 921 HB3 SER 115 3HB SER 115 10.296 -7.457 13.213 922 HG SER 115 HG SER 115 10.009 -4.747 14.009 923 H SER 116 H SER 116 9.103 -3.729 11.192 924 HA SER 116 HA SER 116 6.962 -2.540 12.552 925 HB2 SER 116 2HB SER 116 7.089 -0.785 10.737 926 HB3 SER 116 3HB SER 116 8.648 -1.177 11.468 927 HG SER 116 HG SER 116 7.639 -2.080 8.974 928 H CYS 117 H CYS 117 6.872 -4.820 9.987 929 HA CYS 117 HA CYS 117 4.152 -4.136 9.148 930 HB2 CYS 117 2HB CYS 117 5.980 -4.885 7.549 931 HB3 CYS 117 3HB CYS 117 5.828 -6.496 8.249 932 HG CYS 117 HG CYS 117 3.750 -7.225 6.972 933 H LYS 118 H LYS 118 5.048 -5.520 11.936 934 HA LYS 118 HA LYS 118 3.940 -8.043 12.162 935 HB2 LYS 118 2HB LYS 118 4.004 -5.780 14.174 936 HB3 LYS 118 3HB LYS 118 3.274 -7.322 14.596 937 HG2 LYS 118 2HG LYS 118 6.142 -6.954 13.692 938 HG3 LYS 118 3HG LYS 118 5.627 -7.095 15.366 939 HD2 LYS 118 2HD LYS 118 4.966 -9.298 13.390 940 HD3 LYS 118 3HD LYS 118 6.579 -9.196 14.090 941 HE2 LYS 118 2HE LYS 118 5.188 -10.759 15.360 942 HE3 LYS 118 3HE LYS 118 5.626 -9.377 16.357 943 HZ1 LYS 118 3HZ LYS 118 3.009 -9.747 15.001 944 HZ2 LYS 118 1HZ LYS 118 3.425 -8.472 16.032 945 HZ3 LYS 118 2HZ LYS 118 3.318 -10.047 16.633 946 H GLU 119 H GLU 119 2.112 -5.098 11.696 947 HA GLU 119 HA GLU 119 -0.457 -5.889 12.440 948 HB2 GLU 119 2HB GLU 119 -1.288 -4.239 10.810 949 HB3 GLU 119 3HB GLU 119 0.023 -3.590 11.789 950 HG2 GLU 119 2HG GLU 119 1.566 -3.665 9.985 951 HG3 GLU 119 3HG GLU 119 0.528 -4.711 9.015 952 H ALA 120 H ALA 120 1.346 -6.575 9.495 953 HA ALA 120 HA ALA 120 -0.743 -7.965 8.111 954 HB1 ALA 120 3HB ALA 120 1.112 -6.825 6.933 955 HB2 ALA 120 1HB ALA 120 1.002 -8.522 6.484 956 HB3 ALA 120 2HB ALA 120 2.257 -7.989 7.602 957 H ALA 121 H ALA 121 1.455 -8.874 10.655 958 HA ALA 121 HA ALA 121 1.545 -11.708 10.117 959 HB1 ALA 121 3HB ALA 121 2.352 -11.935 12.434 960 HB2 ALA 121 1HB ALA 121 1.943 -10.246 12.758 961 HB3 ALA 121 2HB ALA 121 3.211 -10.643 11.600 962 H ASP 122 H ASP 122 -0.456 -9.556 12.089 963 HA ASP 122 HA ASP 122 -2.308 -11.396 13.145 964 HB2 ASP 122 2HB ASP 122 -2.095 -9.057 13.938 965 HB3 ASP 122 3HB ASP 122 -2.667 -8.453 12.390 966 H GLY 123 H GLY 123 -2.286 -9.568 10.087 967 HA2 GLY 123 2HA GLY 123 -4.758 -10.584 9.041 968 HA3 GLY 123 3HA GLY 123 -3.519 -9.725 8.143 969 H TYR 124 H TYR 124 -1.491 -11.793 9.033 970 HA TYR 124 HA TYR 124 -1.654 -13.648 6.900 971 HB2 TYR 124 2HB TYR 124 0.476 -13.014 7.865 972 HB3 TYR 124 3HB TYR 124 0.002 -13.608 9.448 973 HD1 TYR 124 HD1 TYR 124 -0.117 -15.211 6.022 974 HD2 TYR 124 HD2 TYR 124 1.437 -15.384 10.004 975 HE1 TYR 124 HE1 TYR 124 0.995 -17.338 5.511 976 HE2 TYR 124 HE2 TYR 124 2.540 -17.515 9.476 977 HH TYR 124 HH TYR 124 2.278 -19.380 7.847 978 H GLN 125 H GLN 125 -2.298 -14.033 10.415 979 HA GLN 125 HA GLN 125 -3.127 -16.697 10.480 980 HB2 GLN 125 2HB GLN 125 -3.738 -14.273 12.170 981 HB3 GLN 125 3HB GLN 125 -4.757 -15.686 12.401 982 HG2 GLN 125 2HG GLN 125 -2.824 -15.524 13.991 983 HG3 GLN 125 3HG GLN 125 -2.920 -17.035 13.092 984 HE21 GLN 125 1HE2 GLN 125 -1.191 -14.035 13.429 985 HE22 GLN 125 2HE2 GLN 125 0.226 -14.515 12.573 986 H ARG 126 H ARG 126 -5.043 -13.802 9.661 987 HA ARG 126 HA ARG 126 -7.505 -15.073 9.134 988 HB2 ARG 126 2HB ARG 126 -7.459 -12.660 9.300 989 HB3 ARG 126 3HB ARG 126 -6.271 -12.527 8.007 990 HG2 ARG 126 2HG ARG 126 -7.941 -13.306 6.364 991 HG3 ARG 126 3HG ARG 126 -9.140 -13.483 7.645 992 HD2 ARG 126 2HD ARG 126 -9.213 -11.103 7.999 993 HD3 ARG 126 3HD ARG 126 -7.820 -10.842 6.946 994 HE ARG 126 HE ARG 126 -9.645 -12.064 5.328 995 HH11 ARG 126 1HH1 ARG 126 -9.722 -9.119 7.260 996 HH12 ARG 126 2HH1 ARG 126 -10.853 -8.326 6.205 997 HH21 ARG 126 1HH2 ARG 126 -11.113 -11.023 3.980 998 HH22 ARG 126 2HH2 ARG 126 -11.637 -9.409 4.350 999 H CYS 127 H CYS 127 -4.597 -14.622 7.131 1000 HA CYS 127 HA CYS 127 -5.833 -15.048 4.591 1001 HB2 CYS 127 2HB CYS 127 -3.720 -13.818 4.843 1002 HB3 CYS 127 3HB CYS 127 -2.911 -15.267 5.427 1003 HG CYS 127 HG CYS 127 -3.887 -14.473 2.286 1004 H MET 128 H MET 128 -3.725 -17.112 6.615 1005 HA MET 128 HA MET 128 -3.936 -19.424 4.996 1006 HB2 MET 128 2HB MET 128 -3.069 -20.678 6.998 1007 HB3 MET 128 3HB MET 128 -2.094 -19.294 6.531 1008 HG2 MET 128 2HG MET 128 -2.874 -18.008 8.384 1009 HG3 MET 128 3HG MET 128 -4.126 -19.191 8.764 1010 HE1 MET 128 3HE MET 128 -2.120 -22.161 10.257 1011 HE2 MET 128 1HE MET 128 -2.714 -21.983 8.606 1012 HE3 MET 128 2HE MET 128 -3.713 -21.464 9.966 1013 H MET 129 H MET 129 -5.848 -18.456 7.916 1014 HA MET 129 HA MET 129 -7.273 -20.921 8.079 1015 HB2 MET 129 2HB MET 129 -8.677 -19.925 9.751 1016 HB3 MET 129 3HB MET 129 -7.055 -19.301 10.007 1017 HG2 MET 129 2HG MET 129 -7.665 -17.167 9.037 1018 HG3 MET 129 3HG MET 129 -9.242 -17.782 8.560 1019 HE1 MET 129 3HE MET 129 -10.378 -19.331 11.006 1020 HE2 MET 129 1HE MET 129 -11.271 -18.076 10.146 1021 HE3 MET 129 2HE MET 129 -11.170 -18.039 11.906 1022 H ALA 130 H ALA 130 -7.758 -18.057 6.179 1023 HA ALA 130 HA ALA 130 -10.539 -18.084 5.813 1024 HB1 ALA 130 3HB ALA 130 -9.119 -16.150 5.303 1025 HB2 ALA 130 1HB ALA 130 -10.124 -16.581 3.919 1026 HB3 ALA 130 2HB ALA 130 -8.411 -17.014 3.938 1027 H GLN 131 H GLN 131 -7.987 -19.753 4.026 1028 HA GLN 131 HA GLN 131 -9.901 -21.072 2.238 1029 HB2 GLN 131 2HB GLN 131 -7.806 -22.277 1.375 1030 HB3 GLN 131 3HB GLN 131 -7.873 -20.542 1.115 1031 HG2 GLN 131 2HG GLN 131 -6.354 -20.161 2.973 1032 HG3 GLN 131 3HG GLN 131 -6.338 -21.884 3.343 1033 HE21 GLN 131 1HE2 GLN 131 -4.070 -20.243 2.725 1034 HE22 GLN 131 2HE2 GLN 131 -3.339 -20.927 1.315 1035 H TYR 132 H TYR 132 -8.330 -21.671 5.267 1036 HA TYR 132 HA TYR 132 -8.914 -24.565 5.175 1037 HB2 TYR 132 2HB TYR 132 -7.463 -22.988 7.355 1038 HB3 TYR 132 3HB TYR 132 -7.542 -24.739 7.204 1039 HD1 TYR 132 HD1 TYR 132 -7.000 -24.485 3.998 1040 HD2 TYR 132 HD2 TYR 132 -5.001 -23.110 7.521 1041 HE1 TYR 132 HE1 TYR 132 -4.882 -24.405 2.765 1042 HE2 TYR 132 HE2 TYR 132 -2.879 -23.055 6.290 1043 HH TYR 132 HH TYR 132 -1.863 -24.083 4.308 1044 H ASN 133 H ASN 133 -11.103 -22.706 5.218 1045 HA ASN 133 HA ASN 133 -12.361 -23.362 7.826 1046 HB2 ASN 133 2HB ASN 133 -13.086 -21.180 5.811 1047 HB3 ASN 133 3HB ASN 133 -14.112 -21.624 7.167 1048 HD21 ASN 133 1HD2 ASN 133 -11.719 -22.002 8.968 1049 HD22 ASN 133 2HD2 ASN 133 -11.200 -20.401 9.335 Start of MODEL 13 1 H1 MET 1 1H MET 1 -4.175 34.267 -8.372 2 H2 MET 1 2H MET 1 -4.200 32.619 -8.727 3 H3 MET 1 3H MET 1 -5.298 33.659 -9.478 4 HA MET 1 HA MET 1 -3.545 33.035 -10.984 5 HB2 MET 1 2HB MET 1 -3.013 35.237 -11.807 6 HB3 MET 1 3HB MET 1 -4.606 35.337 -11.072 7 HG2 MET 1 2HG MET 1 -2.008 36.313 -9.846 8 HG3 MET 1 3HG MET 1 -3.291 37.314 -10.530 9 HE1 MET 1 3HE MET 1 -3.399 37.973 -6.616 10 HE2 MET 1 1HE MET 1 -3.191 38.732 -8.195 11 HE3 MET 1 2HE MET 1 -1.964 37.622 -7.579 12 H GLY 2 H GLY 2 -1.170 33.841 -11.574 13 HA2 GLY 2 2HA GLY 2 0.641 34.015 -9.262 14 HA3 GLY 2 3HA GLY 2 0.799 32.602 -10.304 15 H HIS 3 H HIS 3 1.655 35.849 -9.858 16 HA HIS 3 HA HIS 3 2.309 36.650 -12.505 17 HB2 HIS 3 2HB HIS 3 3.499 37.502 -9.825 18 HB3 HIS 3 3HB HIS 3 3.884 38.279 -11.356 19 HD1 HIS 3 HD1 HIS 3 1.506 38.378 -8.589 20 HD2 HIS 3 HD2 HIS 3 1.594 39.637 -12.552 21 HE1 HIS 3 HE1 HIS 3 -0.370 40.031 -8.815 22 HE2 HIS 3 HE2 HIS 3 -0.338 40.727 -11.236 23 H HIS 4 H HIS 4 3.854 35.776 -13.823 24 HA HIS 4 HA HIS 4 5.743 33.849 -12.817 25 HB2 HIS 4 2HB HIS 4 4.710 33.558 -15.070 26 HB3 HIS 4 3HB HIS 4 5.560 34.996 -15.638 27 HD1 HIS 4 HD1 HIS 4 7.312 34.068 -17.199 28 HD2 HIS 4 HD2 HIS 4 7.100 31.925 -13.648 29 HE1 HIS 4 HE1 HIS 4 9.218 32.437 -17.272 30 HE2 HIS 4 HE2 HIS 4 8.999 31.090 -15.158 31 H HIS 5 H HIS 5 7.193 34.754 -11.516 32 HA HIS 5 HA HIS 5 9.248 36.537 -12.687 33 HB2 HIS 5 2HB HIS 5 8.187 36.548 -9.822 34 HB3 HIS 5 3HB HIS 5 9.666 37.373 -10.312 35 HD1 HIS 5 HD1 HIS 5 6.301 38.159 -9.620 36 HD2 HIS 5 HD2 HIS 5 8.949 39.282 -12.619 37 HE1 HIS 5 HE1 HIS 5 5.387 40.293 -10.567 38 HE2 HIS 5 HE2 HIS 5 6.919 40.864 -12.475 39 H HIS 6 H HIS 6 11.394 36.180 -11.732 40 HA HIS 6 HA HIS 6 12.219 33.505 -11.675 41 HB2 HIS 6 2HB HIS 6 14.431 34.353 -10.943 42 HB3 HIS 6 3HB HIS 6 13.772 35.336 -12.236 43 HD1 HIS 6 HD1 HIS 6 15.649 35.778 -9.339 44 HD2 HIS 6 HD2 HIS 6 12.302 37.729 -10.835 45 HE1 HIS 6 HE1 HIS 6 15.648 38.039 -8.268 46 HE2 HIS 6 HE2 HIS 6 13.555 39.154 -9.095 47 H HIS 7 H HIS 7 12.416 31.991 -10.087 48 HA HIS 7 HA HIS 7 10.747 32.324 -7.795 49 HB2 HIS 7 2HB HIS 7 11.154 29.965 -7.315 50 HB3 HIS 7 3HB HIS 7 10.886 30.166 -9.037 51 HD1 HIS 7 HD1 HIS 7 12.700 29.381 -10.599 52 HD2 HIS 7 HD2 HIS 7 13.901 29.283 -6.629 53 HE1 HIS 7 HE1 HIS 7 14.873 28.138 -10.580 54 HE2 HIS 7 HE2 HIS 7 15.507 27.974 -8.153 55 H HIS 8 H HIS 8 11.313 31.862 -5.598 56 HA HIS 8 HA HIS 8 13.671 33.304 -4.695 57 HB2 HIS 8 2HB HIS 8 11.403 31.980 -3.125 58 HB3 HIS 8 3HB HIS 8 12.654 33.004 -2.428 59 HD1 HIS 8 HD1 HIS 8 11.632 35.158 -1.839 60 HD2 HIS 8 HD2 HIS 8 10.147 33.748 -5.453 61 HE1 HIS 8 HE1 HIS 8 9.999 36.882 -2.618 62 HE2 HIS 8 HE2 HIS 8 8.986 35.922 -4.703 63 H SER 9 H SER 9 15.031 32.381 -2.945 64 HA SER 9 HA SER 9 16.118 29.837 -3.660 65 HB2 SER 9 2HB SER 9 17.491 31.752 -2.785 66 HB3 SER 9 3HB SER 9 16.751 31.530 -1.199 67 HG SER 9 HG SER 9 18.809 30.206 -2.320 68 H HIS 10 H HIS 10 16.567 28.155 -1.906 69 HA HIS 10 HA HIS 10 14.004 27.083 -1.189 70 HB2 HIS 10 2HB HIS 10 15.221 25.013 -0.649 71 HB3 HIS 10 3HB HIS 10 15.744 25.648 -2.193 72 HD1 HIS 10 HD1 HIS 10 18.078 27.363 -1.711 73 HD2 HIS 10 HD2 HIS 10 17.368 24.035 0.683 74 HE1 HIS 10 HE1 HIS 10 20.279 26.795 -0.653 75 HE2 HIS 10 HE2 HIS 10 19.853 24.696 0.661 76 H MET 11 H MET 11 13.395 28.725 0.375 77 HA MET 11 HA MET 11 14.604 28.889 2.982 78 HB2 MET 11 2HB MET 11 11.795 29.672 2.059 79 HB3 MET 11 3HB MET 11 12.510 30.100 3.612 80 HG2 MET 11 2HG MET 11 13.474 31.010 0.885 81 HG3 MET 11 3HG MET 11 12.618 31.993 2.076 82 HE1 MET 11 3HE MET 11 15.350 32.195 4.950 83 HE2 MET 11 1HE MET 11 14.039 31.023 4.813 84 HE3 MET 11 2HE MET 11 13.740 32.726 4.457 85 H ASN 12 H ASN 12 11.623 27.406 1.734 86 HA ASN 12 HA ASN 12 11.343 25.455 3.789 87 HB2 ASN 12 2HB ASN 12 9.872 24.279 2.061 88 HB3 ASN 12 3HB ASN 12 9.408 25.937 2.422 89 HD21 ASN 12 1HD2 ASN 12 10.974 23.888 0.030 90 HD22 ASN 12 2HD2 ASN 12 10.766 24.972 -1.294 91 HA PRO 13 HA PRO 13 14.938 22.885 2.793 92 HB2 PRO 13 2HB PRO 13 13.814 20.418 3.660 93 HB3 PRO 13 3HB PRO 13 14.701 21.572 4.675 94 HG2 PRO 13 2HG PRO 13 11.745 21.253 4.328 95 HG3 PRO 13 3HG PRO 13 12.675 21.606 5.801 96 HD2 PRO 13 2HD PRO 13 11.335 23.555 4.571 97 HD3 PRO 13 3HD PRO 13 12.952 23.883 5.243 98 H ASP 14 H ASP 14 11.709 21.561 1.895 99 HA ASP 14 HA ASP 14 12.502 20.995 -0.819 100 HB2 ASP 14 2HB ASP 14 13.622 19.100 0.284 101 HB3 ASP 14 3HB ASP 14 12.137 18.660 1.122 102 H LEU 15 H LEU 15 10.709 21.501 -1.914 103 HA LEU 15 HA LEU 15 8.160 21.909 -0.750 104 HB2 LEU 15 2HB LEU 15 8.738 21.631 -3.731 105 HB3 LEU 15 3HB LEU 15 7.325 22.370 -3.004 106 HG LEU 15 HG LEU 15 9.121 24.064 -1.974 107 HD11 LEU 15 1HD1 LEU 15 11.137 22.938 -2.765 108 HD12 LEU 15 2HD1 LEU 15 11.002 24.536 -3.488 109 HD13 LEU 15 3HD1 LEU 15 10.601 23.101 -4.438 110 HD21 LEU 15 3HD2 LEU 15 8.252 24.236 -4.869 111 HD22 LEU 15 1HD2 LEU 15 8.792 25.584 -3.862 112 HD23 LEU 15 2HD2 LEU 15 7.303 24.730 -3.465 113 H ALA 16 H ALA 16 9.586 19.279 -2.590 114 HA ALA 16 HA ALA 16 7.309 17.727 -3.111 115 HB1 ALA 16 3HB ALA 16 10.190 16.829 -2.781 116 HB2 ALA 16 1HB ALA 16 9.425 17.372 -4.280 117 HB3 ALA 16 2HB ALA 16 8.893 15.876 -3.508 118 H LEU 17 H LEU 17 9.184 18.112 -0.131 119 HA LEU 17 HA LEU 17 8.052 15.728 1.093 120 HB2 LEU 17 2HB LEU 17 9.613 15.962 2.713 121 HB3 LEU 17 3HB LEU 17 10.365 17.065 1.588 122 HG LEU 17 HG LEU 17 8.941 18.912 2.947 123 HD11 LEU 17 1HD1 LEU 17 7.759 17.302 4.392 124 HD12 LEU 17 2HD1 LEU 17 8.745 18.416 5.339 125 HD13 LEU 17 3HD1 LEU 17 9.300 16.761 5.061 126 HD21 LEU 17 3HD2 LEU 17 11.516 17.712 4.015 127 HD22 LEU 17 1HD2 LEU 17 10.882 19.317 4.403 128 HD23 LEU 17 2HD2 LEU 17 11.375 18.940 2.754 129 H MET 18 H MET 18 7.177 19.041 0.664 130 HA MET 18 HA MET 18 5.502 19.313 3.024 131 HB2 MET 18 2HB MET 18 5.615 21.071 0.521 132 HB3 MET 18 3HB MET 18 4.911 21.505 2.079 133 HG2 MET 18 2HG MET 18 7.841 21.035 1.489 134 HG3 MET 18 3HG MET 18 7.060 22.586 1.816 135 HE1 MET 18 3HE MET 18 9.191 22.195 5.017 136 HE2 MET 18 1HE MET 18 8.726 23.245 3.681 137 HE3 MET 18 2HE MET 18 9.651 21.773 3.368 138 H VAL 19 H VAL 19 5.073 18.735 -0.428 139 HA VAL 19 HA VAL 19 2.249 18.993 -0.519 140 HB VAL 19 HB VAL 19 3.795 19.314 -2.474 141 HG11 VAL 19 1HG1 VAL 19 3.959 16.274 -2.471 142 HG12 VAL 19 2HG1 VAL 19 5.286 17.395 -2.141 143 HG13 VAL 19 3HG1 VAL 19 4.566 17.331 -3.746 144 HG21 VAL 19 3HG2 VAL 19 1.373 19.040 -2.860 145 HG22 VAL 19 1HG2 VAL 19 1.580 17.288 -2.967 146 HG23 VAL 19 2HG2 VAL 19 2.310 18.342 -4.183 147 H LYS 20 H LYS 20 4.418 16.221 -0.035 148 HA LYS 20 HA LYS 20 2.440 14.208 -0.478 149 HB2 LYS 20 2HB LYS 20 4.088 12.609 0.245 150 HB3 LYS 20 3HB LYS 20 4.911 13.825 -0.720 151 HG2 LYS 20 2HG LYS 20 5.791 14.872 1.332 152 HG3 LYS 20 3HG LYS 20 4.940 13.682 2.313 153 HD2 LYS 20 2HD LYS 20 7.217 12.962 2.197 154 HD3 LYS 20 3HD LYS 20 6.304 11.875 1.154 155 HE2 LYS 20 2HE LYS 20 7.108 13.111 -0.829 156 HE3 LYS 20 3HE LYS 20 7.958 14.248 0.228 157 HZ1 LYS 20 3HZ LYS 20 8.542 11.346 0.207 158 HZ2 LYS 20 1HZ LYS 20 9.449 12.587 0.908 159 HZ3 LYS 20 2HZ LYS 20 9.347 12.455 -0.777 160 H ASN 21 H ASN 21 3.501 16.047 2.319 161 HA ASN 21 HA ASN 21 2.248 14.558 4.389 162 HB2 ASN 21 2HB ASN 21 2.998 17.511 4.235 163 HB3 ASN 21 3HB ASN 21 2.418 16.733 5.702 164 HD21 ASN 21 1HD2 ASN 21 4.940 18.084 5.238 165 HD22 ASN 21 2HD2 ASN 21 6.175 16.925 5.582 166 H LYS 22 H LYS 22 1.216 17.512 2.619 167 HA LYS 22 HA LYS 22 -1.347 17.634 3.885 168 HB2 LYS 22 2HB LYS 22 -1.827 19.467 2.220 169 HB3 LYS 22 3HB LYS 22 -0.394 19.711 3.200 170 HG2 LYS 22 2HG LYS 22 0.420 20.375 1.155 171 HG3 LYS 22 3HG LYS 22 0.857 18.675 1.110 172 HD2 LYS 22 2HD LYS 22 -0.058 19.201 -1.038 173 HD3 LYS 22 3HD LYS 22 -1.286 18.252 -0.199 174 HE2 LYS 22 2HE LYS 22 -2.428 20.419 0.414 175 HE3 LYS 22 3HE LYS 22 -1.253 21.262 -0.599 176 HZ1 LYS 22 3HZ LYS 22 -3.287 20.860 -1.787 177 HZ2 LYS 22 1HZ LYS 22 -3.169 19.194 -1.509 178 HZ3 LYS 22 2HZ LYS 22 -2.028 19.976 -2.488 179 H GLY 23 H GLY 23 -0.130 16.033 1.069 180 HA2 GLY 23 2HA GLY 23 -2.464 15.347 -0.310 181 HA3 GLY 23 3HA GLY 23 -1.002 14.379 -0.251 182 H ASN 24 H ASN 24 -0.811 13.488 2.293 183 HA ASN 24 HA ASN 24 -2.962 11.600 2.520 184 HB2 ASN 24 2HB ASN 24 -1.693 10.533 4.298 185 HB3 ASN 24 3HB ASN 24 -0.629 10.894 2.953 186 HD21 ASN 24 1HD2 ASN 24 1.130 12.198 3.302 187 HD22 ASN 24 2HD2 ASN 24 1.536 12.871 4.839 188 H GLU 25 H GLU 25 -2.270 14.669 4.050 189 HA GLU 25 HA GLU 25 -3.949 14.194 6.332 190 HB2 GLU 25 2HB GLU 25 -3.476 16.322 7.067 191 HB3 GLU 25 3HB GLU 25 -2.142 16.158 5.937 192 HG2 GLU 25 2HG GLU 25 -3.314 17.498 4.281 193 HG3 GLU 25 3HG GLU 25 -4.768 17.527 5.267 194 H CYS 26 H CYS 26 -4.445 15.397 3.023 195 HA CYS 26 HA CYS 26 -7.098 16.267 3.169 196 HB2 CYS 26 2HB CYS 26 -5.787 16.532 1.138 197 HB3 CYS 26 3HB CYS 26 -5.720 14.785 0.906 198 HG CYS 26 HG CYS 26 -8.622 14.667 0.683 199 H PHE 27 H PHE 27 -5.847 12.957 2.794 200 HA PHE 27 HA PHE 27 -8.276 11.565 2.481 201 HB2 PHE 27 2HB PHE 27 -5.917 10.671 2.106 202 HB3 PHE 27 3HB PHE 27 -5.750 10.525 3.849 203 HD1 PHE 27 HD2 PHE 27 -7.813 9.337 0.951 204 HD2 PHE 27 HD1 PHE 27 -6.513 8.552 4.938 205 HE1 PHE 27 HE2 PHE 27 -8.815 7.088 0.837 206 HE2 PHE 27 HE1 PHE 27 -7.516 6.303 4.827 207 HZ PHE 27 HZ PHE 27 -8.669 5.570 2.776 208 H GLN 28 H GLN 28 -6.401 12.408 5.353 209 HA GLN 28 HA GLN 28 -8.060 11.362 7.362 210 HB2 GLN 28 2HB GLN 28 -5.793 11.979 7.907 211 HB3 GLN 28 3HB GLN 28 -6.035 13.630 7.363 212 HG2 GLN 28 2HG GLN 28 -5.906 13.529 9.799 213 HG3 GLN 28 3HG GLN 28 -7.498 14.088 9.287 214 HE21 GLN 28 1HE2 GLN 28 -6.450 10.681 9.318 215 HE22 GLN 28 2HE2 GLN 28 -7.517 10.195 10.582 216 H LYS 29 H LYS 29 -8.425 14.285 5.373 217 HA LYS 29 HA LYS 29 -10.206 15.669 7.180 218 HB2 LYS 29 2HB LYS 29 -9.949 16.078 4.164 219 HB3 LYS 29 3HB LYS 29 -10.698 17.187 5.309 220 HG2 LYS 29 2HG LYS 29 -7.760 16.484 5.116 221 HG3 LYS 29 3HG LYS 29 -8.502 18.006 4.640 222 HD2 LYS 29 2HD LYS 29 -8.740 17.090 7.515 223 HD3 LYS 29 3HD LYS 29 -7.210 17.756 6.956 224 HE2 LYS 29 2HE LYS 29 -8.680 19.431 8.053 225 HE3 LYS 29 3HE LYS 29 -8.243 19.864 6.406 226 HZ1 LYS 29 3HZ LYS 29 -10.553 20.328 6.851 227 HZ2 LYS 29 1HZ LYS 29 -10.841 18.720 7.271 228 HZ3 LYS 29 2HZ LYS 29 -10.436 19.115 5.681 229 H GLY 30 H GLY 30 -10.554 12.943 5.175 230 HA2 GLY 30 2HA GLY 30 -12.472 11.553 5.205 231 HA3 GLY 30 3HA GLY 30 -13.509 12.952 5.467 232 H ASP 31 H ASP 31 -11.181 13.645 3.150 233 HA ASP 31 HA ASP 31 -13.086 13.218 0.930 234 HB2 ASP 31 2HB ASP 31 -10.575 14.967 1.059 235 HB3 ASP 31 3HB ASP 31 -11.695 14.869 -0.297 236 H TYR 32 H TYR 32 -12.740 11.153 0.240 237 HA TYR 32 HA TYR 32 -10.164 9.900 0.236 238 HB2 TYR 32 2HB TYR 32 -12.846 8.937 -0.823 239 HB3 TYR 32 3HB TYR 32 -11.390 7.949 -0.790 240 HD1 TYR 32 HD1 TYR 32 -13.276 10.141 1.660 241 HD2 TYR 32 HD2 TYR 32 -11.315 6.413 0.996 242 HE1 TYR 32 HE1 TYR 32 -13.828 9.451 3.933 243 HE2 TYR 32 HE2 TYR 32 -11.881 5.716 3.284 244 HH TYR 32 HH TYR 32 -14.116 7.384 5.240 245 HA PRO 33 HA PRO 33 -10.470 10.202 -4.648 246 HB2 PRO 33 2HB PRO 33 -12.168 12.077 -5.769 247 HB3 PRO 33 3HB PRO 33 -12.636 10.386 -5.484 248 HG2 PRO 33 2HG PRO 33 -13.221 12.804 -3.803 249 HG3 PRO 33 3HG PRO 33 -14.306 11.477 -4.281 250 HD2 PRO 33 2HD PRO 33 -13.166 11.541 -1.830 251 HD3 PRO 33 3HD PRO 33 -13.444 10.007 -2.680 252 H GLN 34 H GLN 34 -11.265 13.337 -3.043 253 HA GLN 34 HA GLN 34 -9.470 14.952 -4.485 254 HB2 GLN 34 2HB GLN 34 -11.317 15.885 -3.168 255 HB3 GLN 34 3HB GLN 34 -10.591 15.303 -1.683 256 HG2 GLN 34 2HG GLN 34 -10.150 17.597 -1.688 257 HG3 GLN 34 3HG GLN 34 -8.636 16.867 -2.182 258 HE21 GLN 34 1HE2 GLN 34 -9.671 16.546 -5.058 259 HE22 GLN 34 2HE2 GLN 34 -9.570 18.135 -5.694 260 H ALA 35 H ALA 35 -8.963 12.926 -1.618 261 HA ALA 35 HA ALA 35 -6.345 13.701 -0.938 262 HB1 ALA 35 3HB ALA 35 -7.686 12.211 0.487 263 HB2 ALA 35 1HB ALA 35 -6.125 11.480 0.113 264 HB3 ALA 35 2HB ALA 35 -7.583 10.936 -0.724 265 H MET 36 H MET 36 -7.600 11.494 -3.413 266 HA MET 36 HA MET 36 -5.104 10.268 -4.117 267 HB2 MET 36 2HB MET 36 -7.223 9.124 -4.581 268 HB3 MET 36 3HB MET 36 -7.779 10.464 -5.567 269 HG2 MET 36 2HG MET 36 -5.937 9.937 -7.204 270 HG3 MET 36 3HG MET 36 -5.573 8.505 -6.241 271 HE1 MET 36 3HE MET 36 -9.220 9.958 -6.874 272 HE2 MET 36 1HE MET 36 -9.652 9.105 -8.355 273 HE3 MET 36 2HE MET 36 -8.378 10.325 -8.382 274 H LYS 37 H LYS 37 -6.910 13.087 -5.169 275 HA LYS 37 HA LYS 37 -5.330 13.755 -7.476 276 HB2 LYS 37 2HB LYS 37 -7.188 15.520 -5.813 277 HB3 LYS 37 3HB LYS 37 -6.607 15.866 -7.447 278 HG2 LYS 37 2HG LYS 37 -7.800 13.865 -8.285 279 HG3 LYS 37 3HG LYS 37 -8.393 13.542 -6.653 280 HD2 LYS 37 2HD LYS 37 -9.632 15.685 -6.681 281 HD3 LYS 37 3HD LYS 37 -9.018 16.025 -8.302 282 HE2 LYS 37 2HE LYS 37 -10.198 14.016 -9.150 283 HE3 LYS 37 3HE LYS 37 -10.825 13.706 -7.531 284 HZ1 LYS 37 3HZ LYS 37 -12.440 14.824 -8.925 285 HZ2 LYS 37 1HZ LYS 37 -11.383 16.117 -9.169 286 HZ3 LYS 37 2HZ LYS 37 -11.998 15.809 -7.626 287 H HIS 38 H HIS 38 -5.389 14.753 -4.080 288 HA HIS 38 HA HIS 38 -3.182 16.589 -4.265 289 HB2 HIS 38 2HB HIS 38 -4.593 15.371 -1.864 290 HB3 HIS 38 3HB HIS 38 -3.270 16.531 -1.724 291 HD1 HIS 38 HD1 HIS 38 -4.227 18.411 -4.091 292 HD2 HIS 38 HD2 HIS 38 -6.612 17.085 -0.985 293 HE1 HIS 38 HE1 HIS 38 -6.079 20.076 -3.909 294 HE2 HIS 38 HE2 HIS 38 -7.451 19.309 -1.953 295 H TYR 39 H TYR 39 -3.442 13.149 -3.888 296 HA TYR 39 HA TYR 39 -0.676 12.727 -3.218 297 HB2 TYR 39 2HB TYR 39 -2.840 10.900 -4.313 298 HB3 TYR 39 3HB TYR 39 -1.172 10.357 -4.175 299 HD1 TYR 39 HD2 TYR 39 -0.331 11.531 -1.580 300 HD2 TYR 39 HD1 TYR 39 -4.021 9.646 -2.664 301 HE1 TYR 39 HE2 TYR 39 -0.663 10.820 0.742 302 HE2 TYR 39 HE1 TYR 39 -4.347 8.951 -0.334 303 HH TYR 39 HH TYR 39 -3.058 8.508 1.645 304 H THR 40 H THR 40 -2.549 13.029 -6.247 305 HA THR 40 HA THR 40 -0.549 11.958 -7.972 306 HB THR 40 HB THR 40 -2.838 13.843 -8.698 307 HG1 THR 40 HG1 THR 40 -2.969 11.426 -7.711 308 HG21 THR 40 3HG2 THR 40 -1.307 11.883 -10.460 309 HG22 THR 40 1HG2 THR 40 -1.158 13.643 -10.534 310 HG23 THR 40 2HG2 THR 40 -2.684 12.864 -10.961 311 H GLU 41 H GLU 41 -1.348 15.320 -7.015 312 HA GLU 41 HA GLU 41 0.660 16.622 -8.534 313 HB2 GLU 41 2HB GLU 41 0.352 18.534 -6.972 314 HB3 GLU 41 3HB GLU 41 -1.186 17.897 -7.555 315 HG2 GLU 41 2HG GLU 41 -1.480 16.662 -5.443 316 HG3 GLU 41 3HG GLU 41 0.048 17.306 -4.848 317 H ALA 42 H ALA 42 0.723 14.944 -5.433 318 HA ALA 42 HA ALA 42 3.371 15.685 -4.673 319 HB1 ALA 42 3HB ALA 42 1.705 13.312 -3.752 320 HB2 ALA 42 1HB ALA 42 1.715 14.920 -3.024 321 HB3 ALA 42 2HB ALA 42 3.167 13.923 -2.972 322 H ILE 43 H ILE 43 2.031 12.969 -6.583 323 HA ILE 43 HA ILE 43 4.431 11.526 -6.985 324 HB ILE 43 HB ILE 43 1.789 11.661 -8.452 325 HG12 ILE 43 2HG1 ILE 43 1.959 9.099 -8.174 326 HG13 ILE 43 3HG1 ILE 43 3.397 9.393 -7.213 327 HG21 ILE 43 1HG2 ILE 43 2.519 10.091 -10.225 328 HG22 ILE 43 2HG2 ILE 43 4.191 10.293 -9.692 329 HG23 ILE 43 3HG2 ILE 43 3.305 11.667 -10.358 330 HD11 ILE 43 3HD1 ILE 43 1.471 8.959 -5.850 331 HD12 ILE 43 1HD1 ILE 43 0.612 10.313 -6.584 332 HD13 ILE 43 2HD1 ILE 43 2.045 10.609 -5.594 333 H LYS 44 H LYS 44 3.065 14.391 -8.544 334 HA LYS 44 HA LYS 44 4.899 14.581 -10.715 335 HB2 LYS 44 2HB LYS 44 3.213 16.768 -9.425 336 HB3 LYS 44 3HB LYS 44 4.046 16.914 -10.974 337 HG2 LYS 44 2HG LYS 44 1.768 15.019 -10.314 338 HG3 LYS 44 3HG LYS 44 1.671 16.462 -11.328 339 HD2 LYS 44 2HD LYS 44 3.162 15.418 -12.992 340 HD3 LYS 44 3HD LYS 44 3.365 14.000 -11.957 341 HE2 LYS 44 2HE LYS 44 0.957 13.493 -12.193 342 HE3 LYS 44 3HE LYS 44 0.760 14.907 -13.232 343 HZ1 LYS 44 3HZ LYS 44 0.983 12.886 -14.523 344 HZ2 LYS 44 1HZ LYS 44 2.481 12.560 -13.809 345 HZ3 LYS 44 2HZ LYS 44 2.298 13.911 -14.806 346 H ARG 45 H ARG 45 5.079 15.533 -7.363 347 HA ARG 45 HA ARG 45 7.435 17.252 -7.725 348 HB2 ARG 45 2HB ARG 45 5.972 16.389 -5.194 349 HB3 ARG 45 3HB ARG 45 7.268 17.578 -5.270 350 HG2 ARG 45 2HG ARG 45 4.601 17.910 -6.669 351 HG3 ARG 45 3HG ARG 45 4.936 18.505 -5.047 352 HD2 ARG 45 2HD ARG 45 6.754 19.925 -5.969 353 HD3 ARG 45 3HD ARG 45 6.341 19.365 -7.596 354 HE ARG 45 HE ARG 45 4.470 20.840 -5.831 355 HH11 ARG 45 1HH1 ARG 45 5.784 20.324 -9.057 356 HH12 ARG 45 2HH1 ARG 45 4.742 21.509 -9.786 357 HH21 ARG 45 1HH2 ARG 45 3.139 22.369 -6.784 358 HH22 ARG 45 2HH2 ARG 45 3.242 22.671 -8.490 359 H ASN 46 H ASN 46 6.556 14.039 -6.637 360 HA ASN 46 HA ASN 46 9.325 13.208 -6.283 361 HB2 ASN 46 2HB ASN 46 8.757 12.274 -3.934 362 HB3 ASN 46 3HB ASN 46 9.054 13.998 -4.065 363 HD21 ASN 46 1HD2 ASN 46 6.576 11.563 -3.617 364 HD22 ASN 46 2HD2 ASN 46 5.390 12.632 -2.964 365 HA PRO 47 HA PRO 47 6.641 9.853 -8.100 366 HB2 PRO 47 2HB PRO 47 8.155 9.324 -10.294 367 HB3 PRO 47 3HB PRO 47 7.110 10.764 -10.226 368 HG2 PRO 47 2HG PRO 47 10.076 10.577 -9.695 369 HG3 PRO 47 3HG PRO 47 9.196 11.729 -10.723 370 HD2 PRO 47 2HD PRO 47 9.946 12.341 -8.170 371 HD3 PRO 47 3HD PRO 47 8.478 13.010 -8.918 372 H LYS 48 H LYS 48 9.914 9.958 -6.944 373 HA LYS 48 HA LYS 48 10.605 7.190 -7.333 374 HB2 LYS 48 2HB LYS 48 11.849 9.175 -5.365 375 HB3 LYS 48 3HB LYS 48 12.505 7.607 -5.788 376 HG2 LYS 48 2HG LYS 48 13.833 9.092 -7.006 377 HG3 LYS 48 3HG LYS 48 12.670 8.524 -8.206 378 HD2 LYS 48 2HD LYS 48 11.391 10.588 -8.015 379 HD3 LYS 48 3HD LYS 48 12.398 11.136 -6.673 380 HE2 LYS 48 2HE LYS 48 12.989 12.264 -8.783 381 HE3 LYS 48 3HE LYS 48 14.334 11.308 -8.162 382 HZ1 LYS 48 3HZ LYS 48 12.472 10.379 -10.285 383 HZ2 LYS 48 1HZ LYS 48 13.889 9.614 -9.768 384 HZ3 LYS 48 2HZ LYS 48 13.975 11.093 -10.582 385 H ASP 49 H ASP 49 9.150 9.133 -4.795 386 HA ASP 49 HA ASP 49 9.037 7.262 -2.690 387 HB2 ASP 49 2HB ASP 49 7.383 9.721 -3.351 388 HB3 ASP 49 3HB ASP 49 7.008 8.733 -1.949 389 H ALA 50 H ALA 50 8.342 5.251 -3.374 390 HA ALA 50 HA ALA 50 5.815 4.753 -4.623 391 HB1 ALA 50 3HB ALA 50 7.718 3.151 -4.686 392 HB2 ALA 50 1HB ALA 50 6.209 2.418 -4.146 393 HB3 ALA 50 2HB ALA 50 7.466 2.822 -2.975 394 H LYS 51 H LYS 51 6.804 5.496 -1.409 395 HA LYS 51 HA LYS 51 4.623 4.449 0.029 396 HB2 LYS 51 2HB LYS 51 5.306 5.942 1.851 397 HB3 LYS 51 3HB LYS 51 6.664 5.087 1.157 398 HG2 LYS 51 2HG LYS 51 7.577 7.177 1.508 399 HG3 LYS 51 3HG LYS 51 7.086 7.297 -0.176 400 HD2 LYS 51 2HD LYS 51 6.529 9.369 0.931 401 HD3 LYS 51 3HD LYS 51 5.028 8.534 0.558 402 HE2 LYS 51 2HE LYS 51 6.339 8.521 3.300 403 HE3 LYS 51 3HE LYS 51 5.086 9.657 2.808 404 HZ1 LYS 51 3HZ LYS 51 4.831 6.720 3.125 405 HZ2 LYS 51 1HZ LYS 51 3.646 7.674 2.381 406 HZ3 LYS 51 2HZ LYS 51 4.046 7.931 4.002 407 H LEU 52 H LEU 52 4.766 7.212 -2.107 408 HA LEU 52 HA LEU 52 2.252 8.368 -1.268 409 HB2 LEU 52 2HB LEU 52 4.096 8.752 -3.612 410 HB3 LEU 52 3HB LEU 52 2.431 9.235 -3.837 411 HG LEU 52 HG LEU 52 3.777 11.165 -3.229 412 HD11 LEU 52 1HD1 LEU 52 1.452 11.154 -2.470 413 HD12 LEU 52 2HD1 LEU 52 2.485 12.041 -1.357 414 HD13 LEU 52 3HD1 LEU 52 1.932 10.418 -0.936 415 HD21 LEU 52 3HD2 LEU 52 5.550 10.009 -1.992 416 HD22 LEU 52 1HD2 LEU 52 4.455 9.760 -0.636 417 HD23 LEU 52 2HD2 LEU 52 4.928 11.393 -1.111 418 H TYR 53 H TYR 53 3.277 6.009 -3.692 419 HA TYR 53 HA TYR 53 0.798 5.742 -5.059 420 HB2 TYR 53 2HB TYR 53 3.239 3.934 -4.946 421 HB3 TYR 53 3HB TYR 53 1.864 3.647 -6.011 422 HD1 TYR 53 HD2 TYR 53 4.700 5.958 -5.322 423 HD2 TYR 53 HD1 TYR 53 1.586 4.938 -8.064 424 HE1 TYR 53 HE2 TYR 53 5.742 7.381 -7.020 425 HE2 TYR 53 HE1 TYR 53 2.627 6.371 -9.769 426 HH TYR 53 HH TYR 53 5.791 7.655 -9.436 427 H SER 54 H SER 54 2.286 3.924 -2.394 428 HA SER 54 HA SER 54 0.248 1.911 -2.241 429 HB2 SER 54 2HB SER 54 1.431 1.465 0.014 430 HB3 SER 54 3HB SER 54 2.413 1.322 -1.444 431 HG SER 54 HG SER 54 3.615 2.858 -0.727 432 H ASN 55 H ASN 55 0.706 5.085 -0.803 433 HA ASN 55 HA ASN 55 -1.428 4.998 1.094 434 HB2 ASN 55 2HB ASN 55 0.166 7.229 -0.183 435 HB3 ASN 55 3HB ASN 55 -1.270 7.624 0.750 436 HD21 ASN 55 1HD2 ASN 55 -0.054 8.757 2.261 437 HD22 ASN 55 2HD2 ASN 55 0.964 7.972 3.419 438 H ARG 56 H ARG 56 -1.237 6.075 -2.329 439 HA ARG 56 HA ARG 56 -4.026 6.823 -2.422 440 HB2 ARG 56 2HB ARG 56 -3.720 7.387 -4.719 441 HB3 ARG 56 3HB ARG 56 -2.226 7.853 -3.913 442 HG2 ARG 56 2HG ARG 56 -1.109 5.846 -4.768 443 HG3 ARG 56 3HG ARG 56 -2.608 5.302 -5.514 444 HD2 ARG 56 2HD ARG 56 -2.557 7.349 -6.970 445 HD3 ARG 56 3HD ARG 56 -0.972 7.742 -6.285 446 HE ARG 56 HE ARG 56 -0.444 5.311 -7.106 447 HH11 ARG 56 1HH1 ARG 56 -2.390 7.654 -8.884 448 HH12 ARG 56 2HH1 ARG 56 -1.974 6.993 -10.424 449 HH21 ARG 56 1HH2 ARG 56 0.080 4.470 -9.107 450 HH22 ARG 56 2HH2 ARG 56 -0.567 5.178 -10.554 451 H ALA 57 H ALA 57 -2.220 3.886 -2.864 452 HA ALA 57 HA ALA 57 -4.244 2.363 -4.210 453 HB1 ALA 57 3HB ALA 57 -2.902 0.397 -3.574 454 HB2 ALA 57 1HB ALA 57 -1.918 1.402 -2.501 455 HB3 ALA 57 2HB ALA 57 -1.882 1.671 -4.246 456 H ALA 58 H ALA 58 -3.388 2.995 -0.831 457 HA ALA 58 HA ALA 58 -5.394 1.390 0.398 458 HB1 ALA 58 3HB ALA 58 -3.976 3.863 1.452 459 HB2 ALA 58 1HB ALA 58 -3.412 2.198 1.618 460 HB3 ALA 58 2HB ALA 58 -4.896 2.709 2.426 461 H CYS 59 H CYS 59 -5.466 4.485 -1.187 462 HA CYS 59 HA CYS 59 -8.128 5.212 -0.316 463 HB2 CYS 59 2HB CYS 59 -6.543 6.964 -1.016 464 HB3 CYS 59 3HB CYS 59 -6.439 6.260 -2.626 465 HG CYS 59 HG CYS 59 -8.633 8.392 -1.396 466 H TYR 60 H TYR 60 -6.645 3.696 -3.208 467 HA TYR 60 HA TYR 60 -8.911 3.507 -4.841 468 HB2 TYR 60 2HB TYR 60 -6.353 1.862 -4.778 469 HB3 TYR 60 3HB TYR 60 -7.627 1.530 -5.948 470 HD1 TYR 60 HD1 TYR 60 -8.526 4.202 -6.761 471 HD2 TYR 60 HD2 TYR 60 -4.545 2.808 -6.034 472 HE1 TYR 60 HE1 TYR 60 -7.645 5.899 -8.296 473 HE2 TYR 60 HE2 TYR 60 -3.666 4.519 -7.561 474 HH TYR 60 HH TYR 60 -5.645 7.091 -8.750 475 H THR 61 H THR 61 -7.776 1.334 -2.273 476 HA THR 61 HA THR 61 -9.560 -0.810 -2.675 477 HB THR 61 HB THR 61 -9.249 -1.257 -0.201 478 HG1 THR 61 HG1 THR 61 -7.963 0.156 0.978 479 HG21 THR 61 3HG2 THR 61 -6.687 -0.630 -1.723 480 HG22 THR 61 1HG2 THR 61 -7.598 -2.142 -1.808 481 HG23 THR 61 2HG2 THR 61 -6.809 -1.669 -0.302 482 H LYS 62 H LYS 62 -9.952 2.322 -1.037 483 HA LYS 62 HA LYS 62 -12.473 1.797 0.239 484 HB2 LYS 62 2HB LYS 62 -11.249 4.492 -0.507 485 HB3 LYS 62 3HB LYS 62 -12.536 4.227 0.668 486 HG2 LYS 62 2HG LYS 62 -9.676 3.237 0.916 487 HG3 LYS 62 3HG LYS 62 -10.353 4.651 1.735 488 HD2 LYS 62 2HD LYS 62 -11.976 3.143 2.909 489 HD3 LYS 62 3HD LYS 62 -11.209 1.751 2.133 490 HE2 LYS 62 2HE LYS 62 -9.084 2.299 3.266 491 HE3 LYS 62 3HE LYS 62 -9.852 3.691 4.040 492 HZ1 LYS 62 3HZ LYS 62 -10.555 0.837 4.418 493 HZ2 LYS 62 1HZ LYS 62 -11.422 2.128 5.076 494 HZ3 LYS 62 2HZ LYS 62 -9.822 1.860 5.548 495 H LEU 63 H LEU 63 -11.449 3.088 -2.830 496 HA LEU 63 HA LEU 63 -14.066 3.925 -3.740 497 HB2 LEU 63 2HB LEU 63 -11.456 3.637 -5.295 498 HB3 LEU 63 3HB LEU 63 -12.883 4.527 -5.811 499 HG LEU 63 HG LEU 63 -11.060 5.273 -3.480 500 HD11 LEU 63 1HD1 LEU 63 -10.437 7.224 -4.837 501 HD12 LEU 63 2HD1 LEU 63 -11.420 6.619 -6.174 502 HD13 LEU 63 3HD1 LEU 63 -10.003 5.712 -5.635 503 HD21 LEU 63 3HD2 LEU 63 -13.346 5.902 -2.950 504 HD22 LEU 63 1HD2 LEU 63 -13.536 6.695 -4.519 505 HD23 LEU 63 2HD2 LEU 63 -12.407 7.346 -3.326 506 H LEU 64 H LEU 64 -12.807 0.906 -3.263 507 HA LEU 64 HA LEU 64 -13.165 -1.177 -3.977 508 HB2 LEU 64 2HB LEU 64 -15.496 0.053 -5.490 509 HB3 LEU 64 3HB LEU 64 -15.161 -1.663 -5.530 510 HG LEU 64 HG LEU 64 -16.958 -1.292 -3.966 511 HD11 LEU 64 1HD1 LEU 64 -15.361 -3.030 -3.322 512 HD12 LEU 64 2HD1 LEU 64 -16.112 -2.281 -1.917 513 HD13 LEU 64 3HD1 LEU 64 -14.456 -1.858 -2.357 514 HD21 LEU 64 3HD2 LEU 64 -16.598 1.083 -3.469 515 HD22 LEU 64 1HD2 LEU 64 -15.202 0.675 -2.467 516 HD23 LEU 64 2HD2 LEU 64 -16.822 0.148 -1.992 517 H GLU 65 H GLU 65 -11.598 0.876 -5.565 518 HA GLU 65 HA GLU 65 -11.238 -0.360 -8.182 519 HB2 GLU 65 2HB GLU 65 -9.960 2.032 -6.780 520 HB3 GLU 65 3HB GLU 65 -9.549 1.539 -8.423 521 HG2 GLU 65 2HG GLU 65 -12.348 2.332 -7.544 522 HG3 GLU 65 3HG GLU 65 -11.179 3.464 -8.227 523 H PHE 66 H PHE 66 -10.704 -2.165 -6.162 524 HA PHE 66 HA PHE 66 -8.102 -2.374 -5.162 525 HB2 PHE 66 2HB PHE 66 -10.085 -4.554 -5.911 526 HB3 PHE 66 3HB PHE 66 -8.569 -4.878 -5.087 527 HD1 PHE 66 HD2 PHE 66 -11.887 -3.212 -4.725 528 HD2 PHE 66 HD1 PHE 66 -8.362 -4.595 -2.725 529 HE1 PHE 66 HE2 PHE 66 -13.004 -2.955 -2.553 530 HE2 PHE 66 HE1 PHE 66 -9.503 -4.341 -0.566 531 HZ PHE 66 HZ PHE 66 -11.821 -3.528 -0.479 532 H GLN 67 H GLN 67 -9.371 -3.094 -8.385 533 HA GLN 67 HA GLN 67 -7.313 -4.673 -9.440 534 HB2 GLN 67 2HB GLN 67 -8.917 -2.522 -10.896 535 HB3 GLN 67 3HB GLN 67 -7.993 -3.806 -11.672 536 HG2 GLN 67 2HG GLN 67 -10.464 -4.148 -9.946 537 HG3 GLN 67 3HG GLN 67 -10.378 -4.308 -11.699 538 HE21 GLN 67 1HE2 GLN 67 -9.624 -5.811 -8.640 539 HE22 GLN 67 2HE2 GLN 67 -9.240 -7.378 -9.269 540 H LEU 68 H LEU 68 -7.561 -1.159 -9.023 541 HA LEU 68 HA LEU 68 -5.068 -0.535 -10.344 542 HB2 LEU 68 2HB LEU 68 -6.678 1.238 -8.457 543 HB3 LEU 68 3HB LEU 68 -5.448 1.757 -9.602 544 HG LEU 68 HG LEU 68 -8.258 0.764 -10.209 545 HD11 LEU 68 1HD1 LEU 68 -8.116 3.097 -9.557 546 HD12 LEU 68 2HD1 LEU 68 -8.539 2.961 -11.261 547 HD13 LEU 68 3HD1 LEU 68 -6.893 3.405 -10.795 548 HD21 LEU 68 3HD2 LEU 68 -7.753 1.031 -12.622 549 HD22 LEU 68 1HD2 LEU 68 -6.828 -0.275 -11.883 550 HD23 LEU 68 2HD2 LEU 68 -6.045 1.270 -12.236 551 H ALA 69 H ALA 69 -6.244 -0.978 -7.039 552 HA ALA 69 HA ALA 69 -4.007 -0.063 -5.599 553 HB1 ALA 69 3HB ALA 69 -6.083 -2.120 -4.759 554 HB2 ALA 69 1HB ALA 69 -6.233 -0.369 -4.578 555 HB3 ALA 69 2HB ALA 69 -4.993 -1.245 -3.678 556 H LEU 70 H LEU 70 -4.792 -3.239 -6.956 557 HA LEU 70 HA LEU 70 -2.726 -4.783 -5.777 558 HB2 LEU 70 2HB LEU 70 -4.291 -5.157 -8.359 559 HB3 LEU 70 3HB LEU 70 -3.141 -6.344 -7.761 560 HG LEU 70 HG LEU 70 -5.619 -5.486 -6.225 561 HD11 LEU 70 1HD1 LEU 70 -6.243 -6.576 -8.354 562 HD12 LEU 70 2HD1 LEU 70 -6.661 -7.555 -6.954 563 HD13 LEU 70 3HD1 LEU 70 -5.245 -7.970 -7.922 564 HD21 LEU 70 3HD2 LEU 70 -3.830 -6.400 -4.805 565 HD22 LEU 70 1HD2 LEU 70 -3.728 -7.835 -5.830 566 HD23 LEU 70 2HD2 LEU 70 -5.189 -7.518 -4.890 567 H LYS 71 H LYS 71 -3.046 -3.541 -9.117 568 HA LYS 71 HA LYS 71 -0.482 -4.344 -9.954 569 HB2 LYS 71 2HB LYS 71 -0.884 -2.961 -11.958 570 HB3 LYS 71 3HB LYS 71 -2.284 -3.945 -11.552 571 HG2 LYS 71 2HG LYS 71 -3.476 -2.029 -10.673 572 HG3 LYS 71 3HG LYS 71 -2.045 -1.007 -10.810 573 HD2 LYS 71 2HD LYS 71 -3.557 -2.244 -13.148 574 HD3 LYS 71 3HD LYS 71 -3.695 -0.566 -12.606 575 HE2 LYS 71 2HE LYS 71 -1.213 -1.903 -13.752 576 HE3 LYS 71 3HE LYS 71 -2.191 -0.648 -14.514 577 HZ1 LYS 71 3HZ LYS 71 -0.253 0.351 -13.601 578 HZ2 LYS 71 1HZ LYS 71 -0.492 -0.367 -12.091 579 HZ3 LYS 71 2HZ LYS 71 -1.553 0.829 -12.636 580 H ASP 72 H ASP 72 -1.576 -1.334 -8.454 581 HA ASP 72 HA ASP 72 0.737 0.230 -9.106 582 HB2 ASP 72 2HB ASP 72 -1.562 1.156 -8.586 583 HB3 ASP 72 3HB ASP 72 -1.309 0.729 -6.898 584 H CYS 73 H CYS 73 -0.282 -1.603 -6.195 585 HA CYS 73 HA CYS 73 2.150 -1.017 -4.763 586 HB2 CYS 73 2HB CYS 73 1.350 -2.512 -3.018 587 HB3 CYS 73 3HB CYS 73 0.069 -1.417 -3.515 588 HG CYS 73 HG CYS 73 -1.058 -3.510 -5.195 589 H GLU 74 H GLU 74 1.186 -3.478 -7.053 590 HA GLU 74 HA GLU 74 3.273 -5.359 -6.640 591 HB2 GLU 74 2HB GLU 74 1.671 -4.592 -9.110 592 HB3 GLU 74 3HB GLU 74 2.934 -5.814 -9.192 593 HG2 GLU 74 2HG GLU 74 0.626 -6.056 -7.244 594 HG3 GLU 74 3HG GLU 74 0.471 -6.573 -8.924 595 H GLU 75 H GLU 75 3.053 -2.666 -9.004 596 HA GLU 75 HA GLU 75 5.768 -2.843 -9.867 597 HB2 GLU 75 2HB GLU 75 5.275 -0.843 -11.199 598 HB3 GLU 75 3HB GLU 75 3.961 -2.014 -11.309 599 HG2 GLU 75 2HG GLU 75 2.722 -0.673 -9.569 600 HG3 GLU 75 3HG GLU 75 3.985 0.550 -9.693 601 H CYS 76 H CYS 76 4.260 -1.221 -7.211 602 HA CYS 76 HA CYS 76 5.973 0.794 -6.443 603 HB2 CYS 76 2HB CYS 76 3.994 0.355 -5.171 604 HB3 CYS 76 3HB CYS 76 4.493 -1.283 -4.808 605 HG CYS 76 HG CYS 76 6.829 0.186 -3.395 606 H ILE 77 H ILE 77 6.661 -2.658 -6.463 607 HA ILE 77 HA ILE 77 8.859 -2.773 -4.725 608 HB ILE 77 HB ILE 77 7.606 -4.740 -5.726 609 HG12 ILE 77 2HG1 ILE 77 9.911 -4.975 -4.569 610 HG13 ILE 77 3HG1 ILE 77 9.353 -6.321 -5.540 611 HG21 ILE 77 1HG2 ILE 77 8.290 -5.679 -7.900 612 HG22 ILE 77 2HG2 ILE 77 9.310 -4.269 -8.193 613 HG23 ILE 77 3HG2 ILE 77 7.560 -4.081 -8.079 614 HD11 ILE 77 3HD1 ILE 77 10.900 -5.679 -7.332 615 HD12 ILE 77 1HD1 ILE 77 11.733 -5.941 -5.801 616 HD13 ILE 77 2HD1 ILE 77 11.440 -4.301 -6.371 617 H GLN 78 H GLN 78 8.628 -1.695 -8.101 618 HA GLN 78 HA GLN 78 11.445 -1.791 -8.669 619 HB2 GLN 78 2HB GLN 78 9.248 -0.297 -10.171 620 HB3 GLN 78 3HB GLN 78 10.867 -0.633 -10.777 621 HG2 GLN 78 2HG GLN 78 8.727 -2.694 -10.156 622 HG3 GLN 78 3HG GLN 78 9.220 -2.158 -11.762 623 HE21 GLN 78 1HE2 GLN 78 9.218 -4.856 -10.650 624 HE22 GLN 78 2HE2 GLN 78 10.848 -5.430 -10.743 625 H LEU 79 H LEU 79 9.246 0.626 -7.410 626 HA LEU 79 HA LEU 79 11.151 2.823 -7.597 627 HB2 LEU 79 2HB LEU 79 8.419 2.647 -6.270 628 HB3 LEU 79 3HB LEU 79 9.349 4.125 -6.471 629 HG LEU 79 HG LEU 79 8.206 2.449 -8.749 630 HD11 LEU 79 1HD1 LEU 79 6.429 3.547 -7.481 631 HD12 LEU 79 2HD1 LEU 79 6.606 4.271 -9.077 632 HD13 LEU 79 3HD1 LEU 79 7.239 5.106 -7.656 633 HD21 LEU 79 3HD2 LEU 79 8.844 4.329 -10.208 634 HD22 LEU 79 1HD2 LEU 79 10.255 3.612 -9.434 635 HD23 LEU 79 2HD2 LEU 79 9.610 5.147 -8.843 636 H GLU 80 H GLU 80 9.423 1.170 -4.917 637 HA GLU 80 HA GLU 80 11.737 1.319 -3.136 638 HB2 GLU 80 2HB GLU 80 10.604 3.502 -2.838 639 HB3 GLU 80 3HB GLU 80 9.087 2.687 -2.510 640 HG2 GLU 80 2HG GLU 80 10.171 1.681 -0.457 641 HG3 GLU 80 3HG GLU 80 11.558 2.730 -0.758 642 HA PRO 81 HA PRO 81 9.365 -2.583 -2.226 643 HB2 PRO 81 2HB PRO 81 11.407 -4.312 -2.277 644 HB3 PRO 81 3HB PRO 81 10.872 -3.544 -3.790 645 HG2 PRO 81 2HG PRO 81 13.216 -2.801 -2.049 646 HG3 PRO 81 3HG PRO 81 13.149 -3.000 -3.817 647 HD2 PRO 81 2HD PRO 81 12.921 -0.543 -2.528 648 HD3 PRO 81 3HD PRO 81 12.288 -0.877 -4.154 649 H THR 82 H THR 82 11.524 -0.697 -0.443 650 HA THR 82 HA THR 82 11.872 -2.456 1.845 651 HB THR 82 HB THR 82 12.949 -0.400 2.878 652 HG1 THR 82 HG1 THR 82 11.936 1.264 1.795 653 HG21 THR 82 3HG2 THR 82 14.942 -0.408 1.410 654 HG22 THR 82 1HG2 THR 82 14.011 -1.221 0.146 655 HG23 THR 82 2HG2 THR 82 14.338 -2.046 1.672 656 H PHE 83 H PHE 83 9.386 -0.477 0.721 657 HA PHE 83 HA PHE 83 8.420 0.579 3.207 658 HB2 PHE 83 2HB PHE 83 8.025 1.569 0.876 659 HB3 PHE 83 3HB PHE 83 6.867 0.273 0.594 660 HD1 PHE 83 HD2 PHE 83 7.636 2.815 3.252 661 HD2 PHE 83 HD1 PHE 83 4.590 0.852 0.987 662 HE1 PHE 83 HE2 PHE 83 5.922 4.163 4.386 663 HE2 PHE 83 HE1 PHE 83 2.888 2.212 2.132 664 HZ PHE 83 HZ PHE 83 3.550 3.863 3.826 665 H ILE 84 H ILE 84 7.919 -0.871 4.700 666 HA ILE 84 HA ILE 84 7.046 -3.506 4.441 667 HB ILE 84 HB ILE 84 7.234 -1.500 6.682 668 HG12 ILE 84 2HG1 ILE 84 8.444 -4.267 6.244 669 HG13 ILE 84 3HG1 ILE 84 9.240 -2.725 5.962 670 HG21 ILE 84 1HG2 ILE 84 6.400 -3.098 8.391 671 HG22 ILE 84 2HG2 ILE 84 5.807 -4.138 7.094 672 HG23 ILE 84 3HG2 ILE 84 5.131 -2.519 7.307 673 HD11 ILE 84 3HD1 ILE 84 10.048 -3.723 7.984 674 HD12 ILE 84 1HD1 ILE 84 8.412 -3.857 8.629 675 HD13 ILE 84 2HD1 ILE 84 9.137 -2.266 8.380 676 H LYS 85 H LYS 85 5.138 -0.534 4.898 677 HA LYS 85 HA LYS 85 2.648 -1.809 5.430 678 HB2 LYS 85 2HB LYS 85 3.057 0.989 4.317 679 HB3 LYS 85 3HB LYS 85 1.641 0.394 5.177 680 HG2 LYS 85 2HG LYS 85 4.412 0.768 6.363 681 HG3 LYS 85 3HG LYS 85 3.053 1.868 6.565 682 HD2 LYS 85 2HD LYS 85 3.199 -1.004 7.585 683 HD3 LYS 85 3HD LYS 85 3.369 0.462 8.558 684 HE2 LYS 85 2HE LYS 85 1.025 1.093 7.787 685 HE3 LYS 85 3HE LYS 85 0.882 -0.541 7.140 686 HZ1 LYS 85 3HZ LYS 85 1.260 0.273 9.962 687 HZ2 LYS 85 1HZ LYS 85 1.431 -1.321 9.428 688 HZ3 LYS 85 2HZ LYS 85 -0.055 -0.539 9.279 689 H GLY 86 H GLY 86 4.364 -1.110 2.480 690 HA2 GLY 86 2HA GLY 86 2.256 -1.257 0.588 691 HA3 GLY 86 3HA GLY 86 3.957 -1.561 0.282 692 H TYR 87 H TYR 87 4.249 -3.699 2.179 693 HA TYR 87 HA TYR 87 3.254 -5.965 0.695 694 HB2 TYR 87 2HB TYR 87 4.912 -5.703 3.237 695 HB3 TYR 87 3HB TYR 87 4.419 -7.270 2.600 696 HD1 TYR 87 HD1 TYR 87 6.230 -4.140 1.550 697 HD2 TYR 87 HD2 TYR 87 5.846 -8.372 1.053 698 HE1 TYR 87 HE1 TYR 87 8.188 -4.147 0.074 699 HE2 TYR 87 HE2 TYR 87 7.810 -8.372 -0.423 700 HH TYR 87 HH TYR 87 9.016 -6.810 -1.874 701 H THR 88 H THR 88 2.413 -4.333 3.715 702 HA THR 88 HA THR 88 0.629 -6.297 4.732 703 HB THR 88 HB THR 88 0.554 -3.300 5.292 704 HG1 THR 88 HG1 THR 88 1.940 -4.221 7.155 705 HG21 THR 88 3HG2 THR 88 -0.236 -5.695 7.006 706 HG22 THR 88 1HG2 THR 88 -1.361 -4.568 6.239 707 HG23 THR 88 2HG2 THR 88 -0.278 -4.007 7.516 708 H ARG 89 H ARG 89 0.154 -3.368 2.768 709 HA ARG 89 HA ARG 89 -2.626 -3.572 2.319 710 HB2 ARG 89 2HB ARG 89 -0.360 -2.056 1.068 711 HB3 ARG 89 3HB ARG 89 -1.754 -2.287 0.036 712 HG2 ARG 89 2HG ARG 89 -1.886 -0.127 1.090 713 HG3 ARG 89 3HG ARG 89 -3.185 -1.148 1.701 714 HD2 ARG 89 2HD ARG 89 -0.590 -0.776 3.221 715 HD3 ARG 89 3HD ARG 89 -1.931 0.353 3.380 716 HE ARG 89 HE ARG 89 -2.823 -2.304 3.835 717 HH11 ARG 89 1HH1 ARG 89 -1.026 0.267 5.428 718 HH12 ARG 89 2HH1 ARG 89 -1.430 -0.289 7.022 719 HH21 ARG 89 1HH2 ARG 89 -3.373 -2.972 5.930 720 HH22 ARG 89 2HH2 ARG 89 -2.750 -2.115 7.306 721 H LYS 90 H LYS 90 0.188 -4.911 0.622 722 HA LYS 90 HA LYS 90 -1.034 -5.974 -1.645 723 HB2 LYS 90 2HB LYS 90 1.445 -5.764 -1.285 724 HB3 LYS 90 3HB LYS 90 1.370 -7.092 -0.135 725 HG2 LYS 90 2HG LYS 90 2.162 -8.015 -2.197 726 HG3 LYS 90 3HG LYS 90 0.493 -8.563 -2.006 727 HD2 LYS 90 2HD LYS 90 0.794 -7.898 -4.297 728 HD3 LYS 90 3HD LYS 90 -0.237 -6.696 -3.509 729 HE2 LYS 90 2HE LYS 90 1.395 -5.576 -4.925 730 HE3 LYS 90 3HE LYS 90 1.747 -5.214 -3.236 731 HZ1 LYS 90 3HZ LYS 90 3.484 -6.919 -3.311 732 HZ2 LYS 90 1HZ LYS 90 3.748 -5.689 -4.451 733 HZ3 LYS 90 2HZ LYS 90 3.145 -7.197 -4.947 734 H ALA 91 H ALA 91 -0.259 -7.606 1.449 735 HA ALA 91 HA ALA 91 -1.222 -10.149 0.801 736 HB1 ALA 91 3HB ALA 91 -1.002 -8.883 3.556 737 HB2 ALA 91 1HB ALA 91 0.299 -9.701 2.685 738 HB3 ALA 91 2HB ALA 91 -1.117 -10.613 3.208 739 H ALA 92 H ALA 92 -2.857 -7.382 2.285 740 HA ALA 92 HA ALA 92 -5.303 -8.717 2.924 741 HB1 ALA 92 3HB ALA 92 -4.552 -6.724 4.124 742 HB2 ALA 92 1HB ALA 92 -6.138 -6.449 3.401 743 HB3 ALA 92 2HB ALA 92 -4.693 -5.759 2.653 744 H ALA 93 H ALA 93 -4.215 -6.756 0.166 745 HA ALA 93 HA ALA 93 -6.763 -6.536 -1.111 746 HB1 ALA 93 3HB ALA 93 -4.936 -4.944 -1.537 747 HB2 ALA 93 1HB ALA 93 -5.488 -5.693 -3.038 748 HB3 ALA 93 2HB ALA 93 -3.980 -6.224 -2.286 749 H LEU 94 H LEU 94 -3.909 -8.594 -1.719 750 HA LEU 94 HA LEU 94 -4.888 -10.325 -3.658 751 HB2 LEU 94 2HB LEU 94 -2.920 -10.866 -1.398 752 HB3 LEU 94 3HB LEU 94 -3.230 -12.014 -2.693 753 HG LEU 94 HG LEU 94 -2.037 -9.231 -3.054 754 HD11 LEU 94 1HD1 LEU 94 -0.459 -10.735 -1.953 755 HD12 LEU 94 2HD1 LEU 94 0.058 -10.371 -3.599 756 HD13 LEU 94 3HD1 LEU 94 -0.681 -11.934 -3.233 757 HD21 LEU 94 3HD2 LEU 94 -2.485 -11.416 -5.118 758 HD22 LEU 94 1HD2 LEU 94 -1.602 -9.908 -5.384 759 HD23 LEU 94 2HD2 LEU 94 -3.327 -9.864 -5.031 760 H GLU 95 H GLU 95 -5.148 -10.550 -0.094 761 HA GLU 95 HA GLU 95 -6.545 -12.935 0.208 762 HB2 GLU 95 2HB GLU 95 -5.691 -11.589 2.094 763 HB3 GLU 95 3HB GLU 95 -6.900 -10.353 1.779 764 HG2 GLU 95 2HG GLU 95 -8.657 -12.182 2.235 765 HG3 GLU 95 3HG GLU 95 -7.324 -13.151 2.863 766 H ALA 96 H ALA 96 -7.768 -9.731 -0.801 767 HA ALA 96 HA ALA 96 -10.578 -10.417 -0.590 768 HB1 ALA 96 3HB ALA 96 -9.797 -8.078 -0.355 769 HB2 ALA 96 1HB ALA 96 -10.957 -8.231 -1.677 770 HB3 ALA 96 2HB ALA 96 -9.231 -8.092 -2.026 771 H MET 97 H MET 97 -8.060 -10.910 -2.890 772 HA MET 97 HA MET 97 -9.893 -11.441 -5.155 773 HB2 MET 97 2HB MET 97 -6.851 -11.195 -5.057 774 HB3 MET 97 3HB MET 97 -7.802 -11.484 -6.517 775 HG2 MET 97 2HG MET 97 -7.912 -9.032 -4.761 776 HG3 MET 97 3HG MET 97 -7.208 -9.158 -6.379 777 HE1 MET 97 3HE MET 97 -9.589 -7.153 -5.167 778 HE2 MET 97 1HE MET 97 -10.623 -7.018 -6.590 779 HE3 MET 97 2HE MET 97 -8.871 -6.903 -6.761 780 H LYS 98 H LYS 98 -8.932 -13.117 -2.616 781 HA LYS 98 HA LYS 98 -8.972 -15.279 -2.023 782 HB2 LYS 98 2HB LYS 98 -9.373 -16.079 -4.936 783 HB3 LYS 98 3HB LYS 98 -9.730 -17.058 -3.516 784 HG2 LYS 98 2HG LYS 98 -11.200 -14.532 -4.382 785 HG3 LYS 98 3HG LYS 98 -11.788 -16.187 -4.555 786 HD2 LYS 98 2HD LYS 98 -11.260 -14.756 -1.915 787 HD3 LYS 98 3HD LYS 98 -12.844 -15.003 -2.656 788 HE2 LYS 98 2HE LYS 98 -10.982 -17.208 -1.706 789 HE3 LYS 98 3HE LYS 98 -12.413 -16.632 -0.857 790 HZ1 LYS 98 3HZ LYS 98 -12.935 -18.618 -2.030 791 HZ2 LYS 98 1HZ LYS 98 -12.346 -17.990 -3.485 792 HZ3 LYS 98 2HZ LYS 98 -13.735 -17.335 -2.787 793 H ASP 99 H ASP 99 -6.549 -13.861 -3.425 794 HA ASP 99 HA ASP 99 -4.808 -16.041 -4.228 795 HB2 ASP 99 2HB ASP 99 -4.502 -13.022 -4.054 796 HB3 ASP 99 3HB ASP 99 -3.123 -14.047 -4.410 797 H TYR 100 H TYR 100 -5.582 -16.477 -1.622 798 HA TYR 100 HA TYR 100 -4.081 -15.520 0.494 799 HB2 TYR 100 2HB TYR 100 -5.019 -18.406 0.180 800 HB3 TYR 100 3HB TYR 100 -4.748 -17.543 1.694 801 HD1 TYR 100 HD1 TYR 100 -6.145 -14.992 1.314 802 HD2 TYR 100 HD2 TYR 100 -7.332 -18.908 0.075 803 HE1 TYR 100 HE1 TYR 100 -8.494 -14.316 1.355 804 HE2 TYR 100 HE2 TYR 100 -9.682 -18.218 0.133 805 HH TYR 100 HH TYR 100 -11.048 -16.494 1.304 806 H THR 101 H THR 101 -3.319 -18.066 -1.808 807 HA THR 101 HA THR 101 -1.015 -19.155 -0.651 808 HB THR 101 HB THR 101 -0.507 -19.958 -2.997 809 HG1 THR 101 HG1 THR 101 -2.198 -19.455 -4.564 810 HG21 THR 101 3HG2 THR 101 -2.507 -21.378 -3.238 811 HG22 THR 101 1HG2 THR 101 -3.394 -20.338 -2.120 812 HG23 THR 101 2HG2 THR 101 -2.018 -21.280 -1.547 813 H LYS 102 H LYS 102 -1.473 -16.304 -2.711 814 HA LYS 102 HA LYS 102 1.374 -15.900 -3.199 815 HB2 LYS 102 2HB LYS 102 -0.682 -13.708 -3.631 816 HB3 LYS 102 3HB LYS 102 0.785 -14.049 -4.547 817 HG2 LYS 102 2HG LYS 102 -1.820 -15.584 -4.613 818 HG3 LYS 102 3HG LYS 102 -1.181 -14.535 -5.878 819 HD2 LYS 102 2HD LYS 102 0.627 -16.121 -6.336 820 HD3 LYS 102 3HD LYS 102 0.140 -17.124 -4.960 821 HE2 LYS 102 2HE LYS 102 -0.677 -18.080 -7.064 822 HE3 LYS 102 3HE LYS 102 -2.024 -17.589 -6.052 823 HZ1 LYS 102 3HZ LYS 102 -2.279 -15.602 -7.371 824 HZ2 LYS 102 1HZ LYS 102 -2.332 -16.959 -8.380 825 HZ3 LYS 102 2HZ LYS 102 -0.939 -16.004 -8.315 826 H ALA 103 H ALA 103 -1.181 -14.494 -1.217 827 HA ALA 103 HA ALA 103 0.190 -12.404 0.029 828 HB1 ALA 103 3HB ALA 103 -1.598 -12.489 1.723 829 HB2 ALA 103 1HB ALA 103 -2.099 -14.072 1.116 830 HB3 ALA 103 2HB ALA 103 -2.248 -12.644 0.089 831 H MET 104 H MET 104 -0.044 -15.823 0.863 832 HA MET 104 HA MET 104 1.247 -15.687 3.390 833 HB2 MET 104 2HB MET 104 0.933 -17.970 3.533 834 HB3 MET 104 3HB MET 104 -0.314 -17.543 2.380 835 HG2 MET 104 2HG MET 104 1.475 -18.206 0.595 836 HG3 MET 104 3HG MET 104 2.248 -19.047 1.937 837 HE1 MET 104 3HE MET 104 -1.504 -20.931 2.740 838 HE2 MET 104 1HE MET 104 -1.443 -19.171 2.790 839 HE3 MET 104 2HE MET 104 -0.228 -20.123 3.651 840 H ASP 105 H ASP 105 2.535 -15.793 0.132 841 HA ASP 105 HA ASP 105 5.272 -16.184 1.057 842 HB2 ASP 105 2HB ASP 105 4.221 -15.153 -1.620 843 HB3 ASP 105 3HB ASP 105 5.915 -15.493 -1.269 844 H VAL 106 H VAL 106 3.044 -13.482 0.593 845 HA VAL 106 HA VAL 106 5.041 -11.419 0.262 846 HB VAL 106 HB VAL 106 2.037 -11.275 0.819 847 HG11 VAL 106 1HG1 VAL 106 2.129 -8.870 0.261 848 HG12 VAL 106 2HG1 VAL 106 3.888 -8.957 0.148 849 HG13 VAL 106 3HG1 VAL 106 3.091 -9.225 1.698 850 HG21 VAL 106 3HG2 VAL 106 3.611 -10.754 -1.737 851 HG22 VAL 106 1HG2 VAL 106 1.859 -10.602 -1.559 852 HG23 VAL 106 2HG2 VAL 106 2.630 -12.179 -1.402 853 H TYR 107 H TYR 107 3.131 -12.687 2.975 854 HA TYR 107 HA TYR 107 3.745 -10.699 4.889 855 HB2 TYR 107 2HB TYR 107 2.511 -11.956 6.380 856 HB3 TYR 107 3HB TYR 107 2.012 -12.816 4.937 857 HD1 TYR 107 HD1 TYR 107 3.005 -15.077 4.450 858 HD2 TYR 107 HD2 TYR 107 3.869 -13.062 8.105 859 HE1 TYR 107 HE1 TYR 107 3.864 -17.170 5.396 860 HE2 TYR 107 HE2 TYR 107 4.725 -15.160 9.055 861 HH TYR 107 HH TYR 107 5.322 -17.950 7.147 862 H GLN 108 H GLN 108 5.377 -13.620 3.847 863 HA GLN 108 HA GLN 108 7.339 -13.845 5.880 864 HB2 GLN 108 2HB GLN 108 6.518 -15.615 4.159 865 HB3 GLN 108 3HB GLN 108 7.593 -14.847 3.004 866 HG2 GLN 108 2HG GLN 108 8.581 -15.990 5.629 867 HG3 GLN 108 3HG GLN 108 8.407 -16.976 4.186 868 HE21 GLN 108 1HE2 GLN 108 10.172 -14.361 5.663 869 HE22 GLN 108 2HE2 GLN 108 11.512 -14.377 4.573 870 H LYS 109 H LYS 109 7.250 -12.371 2.661 871 HA LYS 109 HA LYS 109 9.893 -11.350 2.604 872 HB2 LYS 109 2HB LYS 109 7.427 -10.439 1.067 873 HB3 LYS 109 3HB LYS 109 9.087 -9.982 0.683 874 HG2 LYS 109 2HG LYS 109 7.968 -12.807 0.610 875 HG3 LYS 109 3HG LYS 109 8.245 -11.775 -0.795 876 HD2 LYS 109 2HD LYS 109 10.426 -12.754 1.108 877 HD3 LYS 109 3HD LYS 109 10.041 -13.487 -0.449 878 HE2 LYS 109 2HE LYS 109 10.628 -11.354 -1.583 879 HE3 LYS 109 3HE LYS 109 11.057 -10.656 -0.020 880 HZ1 LYS 109 3HZ LYS 109 12.367 -12.953 -1.359 881 HZ2 LYS 109 1HZ LYS 109 12.733 -12.420 0.204 882 HZ3 LYS 109 2HZ LYS 109 13.015 -11.412 -1.119 883 H ALA 110 H ALA 110 6.872 -10.061 3.876 884 HA ALA 110 HA ALA 110 7.756 -7.395 4.379 885 HB1 ALA 110 3HB ALA 110 5.370 -8.086 4.249 886 HB2 ALA 110 1HB ALA 110 5.739 -7.201 5.731 887 HB3 ALA 110 2HB ALA 110 5.556 -8.957 5.771 888 H LEU 111 H LEU 111 7.607 -10.348 6.404 889 HA LEU 111 HA LEU 111 8.824 -9.288 8.749 890 HB2 LEU 111 2HB LEU 111 8.757 -12.162 7.728 891 HB3 LEU 111 3HB LEU 111 9.285 -11.692 9.337 892 HG LEU 111 HG LEU 111 6.455 -11.411 8.240 893 HD11 LEU 111 1HD1 LEU 111 5.852 -13.156 9.845 894 HD12 LEU 111 2HD1 LEU 111 7.535 -13.286 10.369 895 HD13 LEU 111 3HD1 LEU 111 7.083 -13.743 8.723 896 HD21 LEU 111 3HD2 LEU 111 6.920 -9.580 9.788 897 HD22 LEU 111 1HD2 LEU 111 7.529 -10.715 10.998 898 HD23 LEU 111 2HD2 LEU 111 5.824 -10.738 10.536 899 H ASP 112 H ASP 112 10.083 -10.573 5.740 900 HA ASP 112 HA ASP 112 12.773 -11.073 6.454 901 HB2 ASP 112 2HB ASP 112 11.787 -12.027 4.412 902 HB3 ASP 112 3HB ASP 112 11.517 -10.422 3.748 903 H LEU 113 H LEU 113 11.057 -8.168 5.361 904 HA LEU 113 HA LEU 113 13.306 -6.451 5.089 905 HB2 LEU 113 2HB LEU 113 10.443 -5.725 5.857 906 HB3 LEU 113 3HB LEU 113 11.678 -4.586 5.339 907 HG LEU 113 HG LEU 113 10.397 -6.753 3.623 908 HD11 LEU 113 1HD1 LEU 113 8.921 -4.848 4.008 909 HD12 LEU 113 2HD1 LEU 113 9.463 -4.891 2.332 910 HD13 LEU 113 3HD1 LEU 113 10.177 -3.734 3.458 911 HD21 LEU 113 3HD2 LEU 113 11.709 -5.814 1.742 912 HD22 LEU 113 1HD2 LEU 113 12.734 -6.531 2.985 913 HD23 LEU 113 2HD2 LEU 113 12.579 -4.774 2.875 914 H ASP 114 H ASP 114 11.010 -6.974 7.807 915 HA ASP 114 HA ASP 114 13.056 -6.749 9.801 916 HB2 ASP 114 2HB ASP 114 12.506 -4.287 9.059 917 HB3 ASP 114 3HB ASP 114 10.991 -4.510 9.923 918 H SER 115 H SER 115 12.364 -7.523 11.804 919 HA SER 115 HA SER 115 10.148 -9.264 11.888 920 HB2 SER 115 2HB SER 115 11.705 -8.189 14.284 921 HB3 SER 115 3HB SER 115 10.793 -9.699 14.201 922 HG SER 115 HG SER 115 13.315 -9.087 13.253 923 H SER 116 H SER 116 10.527 -5.909 12.901 924 HA SER 116 HA SER 116 8.225 -5.623 14.515 925 HB2 SER 116 2HB SER 116 10.145 -4.016 14.479 926 HB3 SER 116 3HB SER 116 9.646 -3.476 12.874 927 HG SER 116 HG SER 116 7.645 -2.827 13.850 928 H CYS 117 H CYS 117 8.385 -6.300 11.221 929 HA CYS 117 HA CYS 117 5.824 -5.168 10.493 930 HB2 CYS 117 2HB CYS 117 7.664 -5.538 8.838 931 HB3 CYS 117 3HB CYS 117 7.458 -7.274 9.034 932 HG CYS 117 HG CYS 117 4.838 -7.285 8.068 933 H LYS 118 H LYS 118 6.295 -7.340 12.792 934 HA LYS 118 HA LYS 118 5.038 -9.690 12.534 935 HB2 LYS 118 2HB LYS 118 4.537 -7.612 14.673 936 HB3 LYS 118 3HB LYS 118 3.845 -9.223 14.793 937 HG2 LYS 118 2HG LYS 118 6.802 -8.558 14.696 938 HG3 LYS 118 3HG LYS 118 5.878 -9.008 16.130 939 HD2 LYS 118 2HD LYS 118 6.399 -10.793 13.710 940 HD3 LYS 118 3HD LYS 118 7.196 -10.910 15.280 941 HE2 LYS 118 2HE LYS 118 4.960 -11.387 16.319 942 HE3 LYS 118 3HE LYS 118 4.254 -11.410 14.699 943 HZ1 LYS 118 3HZ LYS 118 4.764 -13.628 15.468 944 HZ2 LYS 118 1HZ LYS 118 6.387 -13.215 15.701 945 HZ3 LYS 118 2HZ LYS 118 5.740 -13.244 14.141 946 H GLU 119 H GLU 119 3.222 -6.659 12.175 947 HA GLU 119 HA GLU 119 0.587 -7.504 12.292 948 HB2 GLU 119 2HB GLU 119 0.101 -5.606 10.712 949 HB3 GLU 119 3HB GLU 119 1.125 -5.173 12.078 950 HG2 GLU 119 2HG GLU 119 3.128 -5.383 10.583 951 HG3 GLU 119 3HG GLU 119 2.035 -5.650 9.220 952 H ALA 120 H ALA 120 2.840 -7.851 9.558 953 HA ALA 120 HA ALA 120 1.060 -8.961 7.657 954 HB1 ALA 120 3HB ALA 120 4.056 -9.384 7.926 955 HB2 ALA 120 1HB ALA 120 3.279 -8.054 7.063 956 HB3 ALA 120 2HB ALA 120 3.088 -9.711 6.486 957 H ALA 121 H ALA 121 2.886 -10.371 10.354 958 HA ALA 121 HA ALA 121 2.501 -13.127 9.608 959 HB1 ALA 121 3HB ALA 121 3.236 -11.938 12.306 960 HB2 ALA 121 1HB ALA 121 4.373 -12.452 11.056 961 HB3 ALA 121 2HB ALA 121 3.348 -13.644 11.859 962 H ASP 122 H ASP 122 0.939 -10.870 11.852 963 HA ASP 122 HA ASP 122 -1.155 -12.410 12.862 964 HB2 ASP 122 2HB ASP 122 -0.671 -10.221 13.787 965 HB3 ASP 122 3HB ASP 122 -0.901 -9.438 12.230 966 H GLY 123 H GLY 123 -0.930 -10.488 9.888 967 HA2 GLY 123 2HA GLY 123 -3.534 -10.929 8.866 968 HA3 GLY 123 3HA GLY 123 -2.136 -10.380 7.957 969 H TYR 124 H TYR 124 -0.503 -12.756 8.610 970 HA TYR 124 HA TYR 124 -1.244 -14.597 6.615 971 HB2 TYR 124 2HB TYR 124 1.081 -14.495 7.333 972 HB3 TYR 124 3HB TYR 124 0.646 -14.937 8.973 973 HD1 TYR 124 HD1 TYR 124 -0.113 -16.404 5.575 974 HD2 TYR 124 HD2 TYR 124 1.419 -17.111 9.510 975 HE1 TYR 124 HE1 TYR 124 0.208 -18.774 5.025 976 HE2 TYR 124 HE2 TYR 124 1.735 -19.483 8.947 977 HH TYR 124 HH TYR 124 0.859 -21.132 7.393 978 H GLN 125 H GLN 125 -1.543 -14.845 10.209 979 HA GLN 125 HA GLN 125 -2.773 -17.320 10.400 980 HB2 GLN 125 2HB GLN 125 -2.872 -14.826 12.087 981 HB3 GLN 125 3HB GLN 125 -4.025 -16.098 12.458 982 HG2 GLN 125 2HG GLN 125 -1.984 -16.213 13.858 983 HG3 GLN 125 3HG GLN 125 -2.266 -17.677 12.924 984 HE21 GLN 125 1HE2 GLN 125 -0.273 -14.846 13.238 985 HE22 GLN 125 2HE2 GLN 125 1.042 -15.404 12.269 986 H ARG 126 H ARG 126 -4.282 -14.244 9.556 987 HA ARG 126 HA ARG 126 -6.970 -15.213 9.380 988 HB2 ARG 126 2HB ARG 126 -6.511 -12.855 9.818 989 HB3 ARG 126 3HB ARG 126 -5.620 -12.712 8.309 990 HG2 ARG 126 2HG ARG 126 -7.650 -12.968 7.009 991 HG3 ARG 126 3HG ARG 126 -8.590 -13.325 8.462 992 HD2 ARG 126 2HD ARG 126 -8.464 -11.081 9.236 993 HD3 ARG 126 3HD ARG 126 -7.129 -10.682 8.148 994 HE ARG 126 HE ARG 126 -8.635 -10.685 6.321 995 HH11 ARG 126 1HH1 ARG 126 -10.344 -10.899 9.390 996 HH12 ARG 126 2HH1 ARG 126 -11.845 -10.359 8.714 997 HH21 ARG 126 1HH2 ARG 126 -10.572 -9.990 5.463 998 HH22 ARG 126 2HH2 ARG 126 -11.980 -9.837 6.469 999 H CYS 127 H CYS 127 -4.245 -14.990 7.139 1000 HA CYS 127 HA CYS 127 -5.786 -15.182 4.699 1001 HB2 CYS 127 2HB CYS 127 -3.639 -13.941 4.831 1002 HB3 CYS 127 3HB CYS 127 -2.785 -15.440 5.179 1003 HG CYS 127 HG CYS 127 -4.287 -14.536 2.257 1004 H MET 128 H MET 128 -3.903 -17.413 6.700 1005 HA MET 128 HA MET 128 -4.024 -19.624 4.881 1006 HB2 MET 128 2HB MET 128 -3.059 -20.966 6.742 1007 HB3 MET 128 3HB MET 128 -2.132 -19.513 6.396 1008 HG2 MET 128 2HG MET 128 -2.875 -18.438 8.380 1009 HG3 MET 128 3HG MET 128 -4.153 -19.620 8.646 1010 HE1 MET 128 3HE MET 128 -2.271 -22.715 9.968 1011 HE2 MET 128 1HE MET 128 -2.855 -22.431 8.328 1012 HE3 MET 128 2HE MET 128 -3.832 -21.938 9.711 1013 H MET 129 H MET 129 -5.845 -18.683 7.849 1014 HA MET 129 HA MET 129 -7.446 -21.055 7.907 1015 HB2 MET 129 2HB MET 129 -8.822 -19.972 9.562 1016 HB3 MET 129 3HB MET 129 -7.152 -19.548 9.900 1017 HG2 MET 129 2HG MET 129 -7.472 -17.317 9.041 1018 HG3 MET 129 3HG MET 129 -9.076 -17.717 8.432 1019 HE1 MET 129 3HE MET 129 -10.361 -19.395 10.856 1020 HE2 MET 129 1HE MET 129 -11.188 -18.118 9.957 1021 HE3 MET 129 2HE MET 129 -11.156 -18.077 11.719 1022 H ALA 130 H ALA 130 -7.595 -18.072 6.117 1023 HA ALA 130 HA ALA 130 -10.307 -18.008 5.368 1024 HB1 ALA 130 3HB ALA 130 -9.574 -16.486 3.579 1025 HB2 ALA 130 1HB ALA 130 -7.893 -16.965 3.850 1026 HB3 ALA 130 2HB ALA 130 -8.780 -16.096 5.107 1027 H GLN 131 H GLN 131 -7.482 -19.555 3.769 1028 HA GLN 131 HA GLN 131 -9.094 -20.772 1.699 1029 HB2 GLN 131 2HB GLN 131 -6.972 -22.106 1.173 1030 HB3 GLN 131 3HB GLN 131 -6.858 -20.365 1.009 1031 HG2 GLN 131 2HG GLN 131 -5.648 -20.200 3.107 1032 HG3 GLN 131 3HG GLN 131 -5.841 -21.927 3.385 1033 HE21 GLN 131 1HE2 GLN 131 -3.629 -22.340 3.459 1034 HE22 GLN 131 2HE2 GLN 131 -2.601 -22.235 2.076 1035 H TYR 132 H TYR 132 -8.581 -21.542 4.974 1036 HA TYR 132 HA TYR 132 -9.366 -24.386 4.558 1037 HB2 TYR 132 2HB TYR 132 -8.295 -23.108 7.115 1038 HB3 TYR 132 3HB TYR 132 -8.558 -24.822 6.833 1039 HD1 TYR 132 HD1 TYR 132 -7.231 -24.527 3.878 1040 HD2 TYR 132 HD2 TYR 132 -5.984 -23.603 7.862 1041 HE1 TYR 132 HE1 TYR 132 -4.902 -24.699 3.178 1042 HE2 TYR 132 HE2 TYR 132 -3.637 -23.801 7.166 1043 HH TYR 132 HH TYR 132 -2.330 -24.934 5.374 1044 H ASN 133 H ASN 133 -11.231 -22.239 4.210 1045 HA ASN 133 HA ASN 133 -13.120 -22.617 6.471 1046 HB2 ASN 133 2HB ASN 133 -12.712 -20.370 4.496 1047 HB3 ASN 133 3HB ASN 133 -14.362 -20.708 4.983 1048 HD21 ASN 133 1HD2 ASN 133 -11.669 -21.128 7.216 1049 HD22 ASN 133 2HD2 ASN 133 -12.078 -19.779 8.213 Start of MODEL 14 1 H1 MET 1 1H MET 1 24.652 12.385 21.684 2 H2 MET 1 2H MET 1 24.075 13.924 22.072 3 H3 MET 1 3H MET 1 24.960 13.686 20.656 4 HA MET 1 HA MET 1 23.275 12.335 19.720 5 HB2 MET 1 2HB MET 1 21.112 11.995 20.879 6 HB3 MET 1 3HB MET 1 22.450 11.294 21.773 7 HG2 MET 1 2HG MET 1 22.432 13.313 23.269 8 HG3 MET 1 3HG MET 1 20.979 13.857 22.432 9 HE1 MET 1 3HE MET 1 21.966 10.108 23.390 10 HE2 MET 1 1HE MET 1 21.191 9.984 24.967 11 HE3 MET 1 2HE MET 1 22.563 11.073 24.743 12 H GLY 2 H GLY 2 21.397 13.238 18.602 13 HA2 GLY 2 2HA GLY 2 20.280 14.958 17.555 14 HA3 GLY 2 3HA GLY 2 20.717 16.029 18.882 15 H HIS 3 H HIS 3 22.616 14.131 16.549 16 HA HIS 3 HA HIS 3 24.508 16.265 16.101 17 HB2 HIS 3 2HB HIS 3 25.271 13.911 16.107 18 HB3 HIS 3 3HB HIS 3 24.223 13.538 14.742 19 HD1 HIS 3 HD1 HIS 3 27.330 15.515 15.604 20 HD2 HIS 3 HD2 HIS 3 25.350 14.056 12.261 21 HE1 HIS 3 HE1 HIS 3 28.857 15.958 13.667 22 HE2 HIS 3 HE2 HIS 3 27.678 14.974 11.674 23 H HIS 4 H HIS 4 24.638 17.613 14.368 24 HA HIS 4 HA HIS 4 22.409 17.597 12.405 25 HB2 HIS 4 2HB HIS 4 24.038 19.939 13.510 26 HB3 HIS 4 3HB HIS 4 22.839 20.081 12.230 27 HD1 HIS 4 HD1 HIS 4 20.377 20.107 12.904 28 HD2 HIS 4 HD2 HIS 4 22.942 19.499 16.107 29 HE1 HIS 4 HE1 HIS 4 18.960 20.353 14.955 30 HE2 HIS 4 HE2 HIS 4 20.585 20.223 16.862 31 H HIS 5 H HIS 5 22.864 18.330 10.282 32 HA HIS 5 HA HIS 5 25.700 18.310 9.393 33 HB2 HIS 5 2HB HIS 5 24.267 16.358 8.542 34 HB3 HIS 5 3HB HIS 5 23.240 17.535 7.732 35 HD1 HIS 5 HD1 HIS 5 26.764 16.150 7.635 36 HD2 HIS 5 HD2 HIS 5 24.191 18.347 5.228 37 HE1 HIS 5 HE1 HIS 5 27.887 16.297 5.397 38 HE2 HIS 5 HE2 HIS 5 26.314 17.630 3.965 39 H HIS 6 H HIS 6 24.512 20.495 10.544 40 HA HIS 6 HA HIS 6 24.205 22.696 10.405 41 HB2 HIS 6 2HB HIS 6 24.826 22.398 7.449 42 HB3 HIS 6 3HB HIS 6 24.520 23.951 8.218 43 HD1 HIS 6 HD1 HIS 6 27.160 21.498 7.577 44 HD2 HIS 6 HD2 HIS 6 26.533 24.673 10.179 45 HE1 HIS 6 HE1 HIS 6 29.422 22.098 8.473 46 HE2 HIS 6 HE2 HIS 6 29.036 24.141 9.887 47 H HIS 7 H HIS 7 22.612 21.147 7.608 48 HA HIS 7 HA HIS 7 20.494 21.059 6.862 49 HB2 HIS 7 2HB HIS 7 20.173 20.398 9.380 50 HB3 HIS 7 3HB HIS 7 19.508 22.012 9.583 51 HD1 HIS 7 HD1 HIS 7 18.778 18.652 8.147 52 HD2 HIS 7 HD2 HIS 7 16.913 22.345 8.484 53 HE1 HIS 7 HE1 HIS 7 16.379 18.265 7.545 54 HE2 HIS 7 HE2 HIS 7 15.250 20.456 7.978 55 H HIS 8 H HIS 8 22.067 23.454 6.636 56 HA HIS 8 HA HIS 8 20.588 25.831 7.123 57 HB2 HIS 8 2HB HIS 8 23.073 25.796 6.942 58 HB3 HIS 8 3HB HIS 8 22.946 25.391 5.232 59 HD1 HIS 8 HD1 HIS 8 22.425 28.222 7.657 60 HD2 HIS 8 HD2 HIS 8 22.408 27.589 3.547 61 HE1 HIS 8 HE1 HIS 8 22.379 30.501 6.616 62 HE2 HIS 8 HE2 HIS 8 22.529 30.089 4.145 63 H SER 9 H SER 9 18.620 25.525 6.278 64 HA SER 9 HA SER 9 18.198 26.147 3.482 65 HB2 SER 9 2HB SER 9 16.547 24.243 3.210 66 HB3 SER 9 3HB SER 9 18.211 23.691 3.391 67 HG SER 9 HG SER 9 17.635 23.485 5.711 68 H HIS 10 H HIS 10 15.956 26.771 3.121 69 HA HIS 10 HA HIS 10 14.603 28.273 5.018 70 HB2 HIS 10 2HB HIS 10 12.594 28.014 3.504 71 HB3 HIS 10 3HB HIS 10 14.057 28.500 2.666 72 HD1 HIS 10 HD1 HIS 10 11.636 27.211 1.207 73 HD2 HIS 10 HD2 HIS 10 14.975 25.080 2.465 74 HE1 HIS 10 HE1 HIS 10 11.785 25.218 -0.305 75 HE2 HIS 10 HE2 HIS 10 13.802 23.948 0.479 76 H MET 11 H MET 11 12.628 27.861 6.233 77 HA MET 11 HA MET 11 12.915 25.949 8.164 78 HB2 MET 11 2HB MET 11 10.573 26.464 8.863 79 HB3 MET 11 3HB MET 11 11.528 27.897 8.537 80 HG2 MET 11 2HG MET 11 10.403 28.228 6.411 81 HG3 MET 11 3HG MET 11 9.533 26.706 6.597 82 HE1 MET 11 3HE MET 11 8.030 29.462 5.901 83 HE2 MET 11 1HE MET 11 6.635 29.272 6.962 84 HE3 MET 11 2HE MET 11 7.264 27.879 6.080 85 H ASN 12 H ASN 12 10.889 25.678 5.297 86 HA ASN 12 HA ASN 12 10.339 22.817 5.782 87 HB2 ASN 12 2HB ASN 12 9.255 24.705 3.625 88 HB3 ASN 12 3HB ASN 12 8.771 23.024 3.855 89 HD21 ASN 12 1HD2 ASN 12 7.193 25.480 3.910 90 HD22 ASN 12 2HD2 ASN 12 6.397 25.498 5.441 91 HA PRO 13 HA PRO 13 14.296 22.788 3.404 92 HB2 PRO 13 2HB PRO 13 14.212 19.828 3.884 93 HB3 PRO 13 3HB PRO 13 15.467 21.003 4.323 94 HG2 PRO 13 2HG PRO 13 13.886 19.914 6.187 95 HG3 PRO 13 3HG PRO 13 14.427 21.604 6.305 96 HD2 PRO 13 2HD PRO 13 11.748 20.540 5.429 97 HD3 PRO 13 3HD PRO 13 12.128 21.943 6.456 98 H ASP 14 H ASP 14 11.588 20.635 2.904 99 HA ASP 14 HA ASP 14 11.891 20.648 0.015 100 HB2 ASP 14 2HB ASP 14 13.336 18.756 0.667 101 HB3 ASP 14 3HB ASP 14 12.061 18.084 1.677 102 H LEU 15 H LEU 15 9.883 21.402 -0.417 103 HA LEU 15 HA LEU 15 7.595 20.966 1.218 104 HB2 LEU 15 2HB LEU 15 7.695 22.015 -1.633 105 HB3 LEU 15 3HB LEU 15 6.307 22.085 -0.562 106 HG LEU 15 HG LEU 15 7.907 23.475 1.015 107 HD11 LEU 15 1HD1 LEU 15 9.336 23.866 -1.613 108 HD12 LEU 15 2HD1 LEU 15 9.986 23.162 -0.131 109 HD13 LEU 15 3HD1 LEU 15 9.554 24.865 -0.172 110 HD21 LEU 15 3HD2 LEU 15 5.877 24.384 0.001 111 HD22 LEU 15 1HD2 LEU 15 6.747 24.717 -1.497 112 HD23 LEU 15 2HD2 LEU 15 7.170 25.581 -0.016 113 H ALA 16 H ALA 16 8.993 19.244 -1.428 114 HA ALA 16 HA ALA 16 6.874 17.606 -2.256 115 HB1 ALA 16 3HB ALA 16 9.829 16.904 -2.098 116 HB2 ALA 16 1HB ALA 16 9.028 17.707 -3.449 117 HB3 ALA 16 2HB ALA 16 8.611 16.043 -3.042 118 H LEU 17 H LEU 17 8.873 17.499 0.688 119 HA LEU 17 HA LEU 17 7.750 14.939 1.495 120 HB2 LEU 17 2HB LEU 17 9.257 14.862 3.242 121 HB3 LEU 17 3HB LEU 17 10.137 15.816 2.073 122 HG LEU 17 HG LEU 17 9.202 17.890 3.466 123 HD11 LEU 17 1HD1 LEU 17 9.085 15.750 5.613 124 HD12 LEU 17 2HD1 LEU 17 7.705 16.612 4.941 125 HD13 LEU 17 3HD1 LEU 17 8.924 17.494 5.858 126 HD21 LEU 17 3HD2 LEU 17 11.455 16.168 4.552 127 HD22 LEU 17 1HD2 LEU 17 11.210 17.891 4.869 128 HD23 LEU 17 2HD2 LEU 17 11.583 17.340 3.237 129 H MET 18 H MET 18 6.845 18.255 1.705 130 HA MET 18 HA MET 18 5.247 17.987 4.143 131 HB2 MET 18 2HB MET 18 5.389 20.268 2.112 132 HB3 MET 18 3HB MET 18 4.577 20.336 3.674 133 HG2 MET 18 2HG MET 18 7.555 20.027 3.213 134 HG3 MET 18 3HG MET 18 6.721 21.472 3.797 135 HE1 MET 18 3HE MET 18 8.793 20.049 6.905 136 HE2 MET 18 1HE MET 18 8.551 21.470 5.890 137 HE3 MET 18 2HE MET 18 9.255 20.003 5.205 138 H VAL 19 H VAL 19 4.800 17.813 0.669 139 HA VAL 19 HA VAL 19 1.936 18.033 0.678 140 HB VAL 19 HB VAL 19 3.322 18.669 -1.298 141 HG11 VAL 19 1HG1 VAL 19 4.155 16.920 -2.840 142 HG12 VAL 19 2HG1 VAL 19 3.748 15.686 -1.652 143 HG13 VAL 19 3HG1 VAL 19 4.981 16.893 -1.282 144 HG21 VAL 19 3HG2 VAL 19 1.806 17.793 -3.031 145 HG22 VAL 19 1HG2 VAL 19 0.908 18.250 -1.579 146 HG23 VAL 19 2HG2 VAL 19 1.231 16.548 -1.916 147 H LYS 20 H LYS 20 4.224 15.337 0.889 148 HA LYS 20 HA LYS 20 2.246 13.287 0.490 149 HB2 LYS 20 2HB LYS 20 3.915 11.682 1.110 150 HB3 LYS 20 3HB LYS 20 4.703 12.908 0.131 151 HG2 LYS 20 2HG LYS 20 5.602 13.946 2.224 152 HG3 LYS 20 3HG LYS 20 4.901 12.621 3.148 153 HD2 LYS 20 2HD LYS 20 7.282 12.189 2.772 154 HD3 LYS 20 3HD LYS 20 6.331 11.007 1.870 155 HE2 LYS 20 2HE LYS 20 6.696 12.267 -0.200 156 HE3 LYS 20 3HE LYS 20 7.540 13.527 0.696 157 HZ1 LYS 20 3HZ LYS 20 9.065 12.059 -0.443 158 HZ2 LYS 20 1HZ LYS 20 8.473 10.726 0.411 159 HZ3 LYS 20 2HZ LYS 20 9.279 11.966 1.227 160 H ASN 21 H ASN 21 3.449 15.115 3.241 161 HA ASN 21 HA ASN 21 2.374 13.603 5.373 162 HB2 ASN 21 2HB ASN 21 2.908 16.599 5.196 163 HB3 ASN 21 3HB ASN 21 2.512 15.758 6.691 164 HD21 ASN 21 1HD2 ASN 21 4.887 17.292 6.022 165 HD22 ASN 21 2HD2 ASN 21 6.226 16.219 6.228 166 H LYS 22 H LYS 22 1.058 16.425 3.579 167 HA LYS 22 HA LYS 22 -1.458 16.399 4.952 168 HB2 LYS 22 2HB LYS 22 -2.167 18.070 3.297 169 HB3 LYS 22 3HB LYS 22 -0.581 18.458 3.960 170 HG2 LYS 22 2HG LYS 22 0.451 17.447 1.910 171 HG3 LYS 22 3HG LYS 22 -1.169 17.260 1.238 172 HD2 LYS 22 2HD LYS 22 0.084 19.898 2.059 173 HD3 LYS 22 3HD LYS 22 0.033 19.271 0.417 174 HE2 LYS 22 2HE LYS 22 -2.447 19.320 0.483 175 HE3 LYS 22 3HE LYS 22 -2.380 19.982 2.121 176 HZ1 LYS 22 3HZ LYS 22 -1.226 21.912 1.259 177 HZ2 LYS 22 1HZ LYS 22 -2.701 21.708 0.461 178 HZ3 LYS 22 2HZ LYS 22 -1.258 21.280 -0.305 179 H GLY 23 H GLY 23 -0.239 14.954 1.965 180 HA2 GLY 23 2HA GLY 23 -2.604 13.990 0.818 181 HA3 GLY 23 3HA GLY 23 -1.029 13.235 0.670 182 H ASN 24 H ASN 24 -0.611 12.617 3.413 183 HA ASN 24 HA ASN 24 -2.227 10.250 3.778 184 HB2 ASN 24 2HB ASN 24 0.080 11.459 5.341 185 HB3 ASN 24 3HB ASN 24 -0.866 10.148 6.037 186 HD21 ASN 24 1HD2 ASN 24 1.605 10.959 3.781 187 HD22 ASN 24 2HD2 ASN 24 1.913 9.356 3.224 188 H GLU 25 H GLU 25 -2.102 13.498 5.250 189 HA GLU 25 HA GLU 25 -3.792 12.846 7.454 190 HB2 GLU 25 2HB GLU 25 -3.725 15.062 8.126 191 HB3 GLU 25 3HB GLU 25 -2.261 14.992 7.158 192 HG2 GLU 25 2HG GLU 25 -3.426 16.087 5.293 193 HG3 GLU 25 3HG GLU 25 -4.931 16.072 6.199 194 H CYS 26 H CYS 26 -4.381 13.769 4.121 195 HA CYS 26 HA CYS 26 -7.031 14.637 4.228 196 HB2 CYS 26 2HB CYS 26 -5.610 13.132 2.009 197 HB3 CYS 26 3HB CYS 26 -7.169 13.943 1.830 198 HG CYS 26 HG CYS 26 -4.939 15.989 3.143 199 H PHE 27 H PHE 27 -5.770 11.315 4.025 200 HA PHE 27 HA PHE 27 -8.170 9.884 3.875 201 HB2 PHE 27 2HB PHE 27 -5.579 9.131 5.305 202 HB3 PHE 27 3HB PHE 27 -6.880 8.003 4.958 203 HD1 PHE 27 HD2 PHE 27 -7.673 8.064 2.368 204 HD2 PHE 27 HD1 PHE 27 -3.770 9.114 3.776 205 HE1 PHE 27 HE2 PHE 27 -6.741 7.621 0.138 206 HE2 PHE 27 HE1 PHE 27 -2.851 8.666 1.541 207 HZ PHE 27 HZ PHE 27 -4.330 7.918 -0.279 208 H GLN 28 H GLN 28 -6.407 11.054 6.728 209 HA GLN 28 HA GLN 28 -8.236 10.235 8.732 210 HB2 GLN 28 2HB GLN 28 -5.892 10.796 9.266 211 HB3 GLN 28 3HB GLN 28 -6.141 12.453 8.735 212 HG2 GLN 28 2HG GLN 28 -6.107 12.374 11.164 213 HG3 GLN 28 3HG GLN 28 -7.730 12.808 10.624 214 HE21 GLN 28 1HE2 GLN 28 -9.440 11.260 10.937 215 HE22 GLN 28 2HE2 GLN 28 -9.249 9.900 11.988 216 H LYS 29 H LYS 29 -8.300 12.942 6.453 217 HA LYS 29 HA LYS 29 -10.216 14.514 8.030 218 HB2 LYS 29 2HB LYS 29 -9.499 14.974 5.103 219 HB3 LYS 29 3HB LYS 29 -10.196 16.131 6.226 220 HG2 LYS 29 2HG LYS 29 -7.377 15.060 6.208 221 HG3 LYS 29 3HG LYS 29 -7.879 16.685 5.767 222 HD2 LYS 29 2HD LYS 29 -8.150 15.518 8.566 223 HD3 LYS 29 3HD LYS 29 -6.768 16.472 8.026 224 HE2 LYS 29 2HE LYS 29 -8.332 18.360 7.532 225 HE3 LYS 29 3HE LYS 29 -9.645 17.401 8.226 226 HZ1 LYS 29 3HZ LYS 29 -7.185 18.158 9.696 227 HZ2 LYS 29 1HZ LYS 29 -8.558 17.420 10.329 228 HZ3 LYS 29 2HZ LYS 29 -8.638 19.017 9.787 229 H GLY 30 H GLY 30 -10.414 11.701 6.245 230 HA2 GLY 30 2HA GLY 30 -12.167 10.508 5.344 231 HA3 GLY 30 3HA GLY 30 -13.272 11.754 5.919 232 H ASP 31 H ASP 31 -10.522 11.891 3.721 233 HA ASP 31 HA ASP 31 -12.177 13.231 1.660 234 HB2 ASP 31 2HB ASP 31 -10.929 14.828 3.193 235 HB3 ASP 31 3HB ASP 31 -9.421 14.073 2.701 236 H TYR 32 H TYR 32 -11.589 10.535 1.613 237 HA TYR 32 HA TYR 32 -9.130 9.642 0.655 238 HB2 TYR 32 2HB TYR 32 -11.889 8.383 0.419 239 HB3 TYR 32 3HB TYR 32 -10.432 7.567 -0.135 240 HD1 TYR 32 HD1 TYR 32 -11.633 9.351 2.967 241 HD2 TYR 32 HD2 TYR 32 -9.509 6.004 1.359 242 HE1 TYR 32 HE1 TYR 32 -11.281 8.487 5.226 243 HE2 TYR 32 HE2 TYR 32 -9.159 5.142 3.634 244 HH TYR 32 HH TYR 32 -10.851 6.277 6.314 245 HA PRO 33 HA PRO 33 -10.902 9.714 -3.968 246 HB2 PRO 33 2HB PRO 33 -12.745 11.743 -4.511 247 HB3 PRO 33 3HB PRO 33 -13.187 10.056 -4.180 248 HG2 PRO 33 2HG PRO 33 -13.190 12.396 -2.307 249 HG3 PRO 33 3HG PRO 33 -14.399 11.103 -2.494 250 HD2 PRO 33 2HD PRO 33 -12.632 11.046 -0.476 251 HD3 PRO 33 3HD PRO 33 -13.130 9.549 -1.291 252 H GLN 34 H GLN 34 -11.192 12.963 -2.428 253 HA GLN 34 HA GLN 34 -9.635 14.383 -4.305 254 HB2 GLN 34 2HB GLN 34 -10.171 15.011 -1.377 255 HB3 GLN 34 3HB GLN 34 -9.387 16.121 -2.487 256 HG2 GLN 34 2HG GLN 34 -12.235 15.118 -2.690 257 HG3 GLN 34 3HG GLN 34 -11.723 16.715 -2.149 258 HE21 GLN 34 1HE2 GLN 34 -12.358 14.715 -4.868 259 HE22 GLN 34 2HE2 GLN 34 -12.070 15.905 -6.088 260 H ALA 35 H ALA 35 -8.719 12.353 -1.590 261 HA ALA 35 HA ALA 35 -6.081 13.284 -1.147 262 HB1 ALA 35 3HB ALA 35 -7.267 11.851 0.479 263 HB2 ALA 35 1HB ALA 35 -5.704 11.164 0.036 264 HB3 ALA 35 2HB ALA 35 -7.188 10.493 -0.646 265 H MET 36 H MET 36 -7.457 11.139 -3.611 266 HA MET 36 HA MET 36 -4.949 10.100 -4.585 267 HB2 MET 36 2HB MET 36 -7.595 10.500 -6.048 268 HB3 MET 36 3HB MET 36 -6.225 9.607 -6.693 269 HG2 MET 36 2HG MET 36 -6.440 7.983 -4.838 270 HG3 MET 36 3HG MET 36 -7.860 8.861 -4.262 271 HE1 MET 36 3HE MET 36 -10.118 9.147 -5.759 272 HE2 MET 36 1HE MET 36 -10.309 8.418 -7.350 273 HE3 MET 36 2HE MET 36 -9.165 9.742 -7.123 274 H LYS 37 H LYS 37 -6.881 12.950 -5.156 275 HA LYS 37 HA LYS 37 -5.394 13.978 -7.395 276 HB2 LYS 37 2HB LYS 37 -7.440 15.384 -5.617 277 HB3 LYS 37 3HB LYS 37 -6.914 15.901 -7.223 278 HG2 LYS 37 2HG LYS 37 -7.898 13.864 -8.217 279 HG3 LYS 37 3HG LYS 37 -8.388 13.315 -6.610 280 HD2 LYS 37 2HD LYS 37 -9.924 15.193 -6.383 281 HD3 LYS 37 3HD LYS 37 -9.366 15.890 -7.907 282 HE2 LYS 37 2HE LYS 37 -11.531 14.772 -8.194 283 HE3 LYS 37 3HE LYS 37 -10.285 13.939 -9.123 284 HZ1 LYS 37 3HZ LYS 37 -11.778 12.433 -7.942 285 HZ2 LYS 37 1HZ LYS 37 -11.279 13.076 -6.462 286 HZ3 LYS 37 2HZ LYS 37 -10.177 12.247 -7.442 287 H HIS 38 H HIS 38 -5.357 14.395 -3.899 288 HA HIS 38 HA HIS 38 -3.537 16.613 -3.753 289 HB2 HIS 38 2HB HIS 38 -4.212 14.454 -1.690 290 HB3 HIS 38 3HB HIS 38 -3.167 15.828 -1.353 291 HD1 HIS 38 HD1 HIS 38 -4.666 18.205 -2.287 292 HD2 HIS 38 HD2 HIS 38 -6.610 14.989 -0.529 293 HE1 HIS 38 HE1 HIS 38 -6.825 19.118 -1.383 294 HE2 HIS 38 HE2 HIS 38 -7.943 17.162 -0.269 295 H TYR 39 H TYR 39 -3.229 13.096 -3.870 296 HA TYR 39 HA TYR 39 -0.373 13.038 -3.702 297 HB2 TYR 39 2HB TYR 39 -2.480 10.976 -4.346 298 HB3 TYR 39 3HB TYR 39 -0.806 10.623 -4.756 299 HD1 TYR 39 HD2 TYR 39 0.173 12.287 -2.110 300 HD2 TYR 39 HD1 TYR 39 -2.474 8.998 -2.843 301 HE1 TYR 39 HE2 TYR 39 0.599 11.437 0.144 302 HE2 TYR 39 HE1 TYR 39 -2.028 8.152 -0.586 303 HH TYR 39 HH TYR 39 -0.591 9.964 1.820 304 H THR 40 H THR 40 -2.571 13.670 -6.359 305 HA THR 40 HA THR 40 -1.065 12.657 -8.511 306 HB THR 40 HB THR 40 -2.878 15.112 -8.559 307 HG1 THR 40 HG1 THR 40 -3.438 12.562 -8.079 308 HG21 THR 40 3HG2 THR 40 -3.183 14.542 -10.964 309 HG22 THR 40 1HG2 THR 40 -1.997 13.246 -10.805 310 HG23 THR 40 2HG2 THR 40 -1.497 14.930 -10.606 311 H GLU 41 H GLU 41 -1.028 15.938 -7.042 312 HA GLU 41 HA GLU 41 1.164 16.898 -8.602 313 HB2 GLU 41 2HB GLU 41 1.290 18.790 -7.080 314 HB3 GLU 41 3HB GLU 41 -0.396 18.473 -7.473 315 HG2 GLU 41 2HG GLU 41 -0.864 17.597 -5.317 316 HG3 GLU 41 3HG GLU 41 0.847 17.404 -4.929 317 H ALA 42 H ALA 42 0.897 15.087 -5.581 318 HA ALA 42 HA ALA 42 3.534 15.486 -4.597 319 HB1 ALA 42 3HB ALA 42 1.679 14.700 -3.182 320 HB2 ALA 42 1HB ALA 42 3.068 13.617 -3.092 321 HB3 ALA 42 2HB ALA 42 1.656 13.162 -4.051 322 H ILE 43 H ILE 43 2.225 13.135 -6.910 323 HA ILE 43 HA ILE 43 4.600 11.571 -7.218 324 HB ILE 43 HB ILE 43 2.089 11.935 -8.885 325 HG12 ILE 43 2HG1 ILE 43 1.981 9.408 -8.673 326 HG13 ILE 43 3HG1 ILE 43 3.446 9.463 -7.709 327 HG21 ILE 43 1HG2 ILE 43 4.537 10.476 -9.935 328 HG22 ILE 43 2HG2 ILE 43 3.816 11.935 -10.620 329 HG23 ILE 43 3HG2 ILE 43 2.927 10.411 -10.659 330 HD11 ILE 43 3HD1 ILE 43 1.472 9.163 -6.345 331 HD12 ILE 43 1HD1 ILE 43 0.785 10.661 -6.976 332 HD13 ILE 43 2HD1 ILE 43 2.244 10.709 -5.981 333 H LYS 44 H LYS 44 3.381 14.568 -8.706 334 HA LYS 44 HA LYS 44 5.480 14.916 -10.610 335 HB2 LYS 44 2HB LYS 44 3.715 17.057 -9.335 336 HB3 LYS 44 3HB LYS 44 4.683 17.261 -10.789 337 HG2 LYS 44 2HG LYS 44 2.286 15.428 -10.475 338 HG3 LYS 44 3HG LYS 44 2.316 16.970 -11.334 339 HD2 LYS 44 2HD LYS 44 4.059 15.956 -12.890 340 HD3 LYS 44 3HD LYS 44 3.768 14.403 -12.098 341 HE2 LYS 44 2HE LYS 44 2.477 14.530 -14.164 342 HE3 LYS 44 3HE LYS 44 1.371 14.542 -12.790 343 HZ1 LYS 44 3HZ LYS 44 2.250 16.931 -14.329 344 HZ2 LYS 44 1HZ LYS 44 1.185 16.946 -13.014 345 HZ3 LYS 44 2HZ LYS 44 0.747 16.173 -14.452 346 H ARG 45 H ARG 45 5.206 15.591 -7.176 347 HA ARG 45 HA ARG 45 7.472 17.379 -6.994 348 HB2 ARG 45 2HB ARG 45 6.142 15.829 -4.724 349 HB3 ARG 45 3HB ARG 45 7.196 17.224 -4.569 350 HG2 ARG 45 2HG ARG 45 4.389 17.199 -5.683 351 HG3 ARG 45 3HG ARG 45 4.900 17.857 -4.139 352 HD2 ARG 45 2HD ARG 45 6.172 19.609 -5.275 353 HD3 ARG 45 3HD ARG 45 5.759 18.908 -6.847 354 HE ARG 45 HE ARG 45 3.437 19.550 -5.271 355 HH11 ARG 45 1HH1 ARG 45 5.780 20.946 -7.510 356 HH12 ARG 45 2HH1 ARG 45 4.717 22.222 -8.003 357 HH21 ARG 45 1HH2 ARG 45 2.077 21.235 -5.921 358 HH22 ARG 45 2HH2 ARG 45 2.626 22.388 -7.106 359 H ASN 46 H ASN 46 6.841 14.018 -5.935 360 HA ASN 46 HA ASN 46 9.638 13.266 -6.374 361 HB2 ASN 46 2HB ASN 46 9.686 12.089 -4.099 362 HB3 ASN 46 3HB ASN 46 9.873 13.829 -4.108 363 HD21 ASN 46 1HD2 ASN 46 6.649 12.326 -4.379 364 HD22 ASN 46 2HD2 ASN 46 6.137 12.793 -2.808 365 HA PRO 47 HA PRO 47 6.849 9.918 -7.889 366 HB2 PRO 47 2HB PRO 47 8.053 9.471 -10.263 367 HB3 PRO 47 3HB PRO 47 7.093 10.943 -9.997 368 HG2 PRO 47 2HG PRO 47 10.083 10.617 -9.895 369 HG3 PRO 47 3HG PRO 47 9.114 11.876 -10.697 370 HD2 PRO 47 2HD PRO 47 10.264 12.206 -8.210 371 HD3 PRO 47 3HD PRO 47 8.806 13.073 -8.745 372 H LYS 48 H LYS 48 10.010 9.900 -6.760 373 HA LYS 48 HA LYS 48 10.725 7.151 -7.450 374 HB2 LYS 48 2HB LYS 48 12.195 9.076 -5.590 375 HB3 LYS 48 3HB LYS 48 12.845 7.626 -6.348 376 HG2 LYS 48 2HG LYS 48 12.013 10.162 -7.771 377 HG3 LYS 48 3HG LYS 48 13.670 9.645 -7.442 378 HD2 LYS 48 2HD LYS 48 13.350 7.670 -8.901 379 HD3 LYS 48 3HD LYS 48 11.676 8.158 -9.207 380 HE2 LYS 48 2HE LYS 48 13.080 8.820 -11.076 381 HE3 LYS 48 3HE LYS 48 12.510 10.260 -10.233 382 HZ1 LYS 48 3HZ LYS 48 15.200 9.024 -9.952 383 HZ2 LYS 48 1HZ LYS 48 14.658 10.384 -9.108 384 HZ3 LYS 48 2HZ LYS 48 14.840 10.450 -10.785 385 H ASP 49 H ASP 49 9.386 9.013 -4.858 386 HA ASP 49 HA ASP 49 9.815 7.234 -2.688 387 HB2 ASP 49 2HB ASP 49 8.081 9.686 -3.126 388 HB3 ASP 49 3HB ASP 49 7.918 8.736 -1.657 389 H ALA 50 H ALA 50 9.085 5.235 -2.992 390 HA ALA 50 HA ALA 50 6.772 4.399 -4.362 391 HB1 ALA 50 3HB ALA 50 8.765 3.009 -4.070 392 HB2 ALA 50 1HB ALA 50 7.337 2.171 -3.460 393 HB3 ALA 50 2HB ALA 50 8.472 2.915 -2.332 394 H LYS 51 H LYS 51 7.217 5.348 -1.014 395 HA LYS 51 HA LYS 51 4.900 4.125 0.073 396 HB2 LYS 51 2HB LYS 51 5.182 5.424 2.067 397 HB3 LYS 51 3HB LYS 51 6.773 4.928 1.522 398 HG2 LYS 51 2HG LYS 51 5.597 7.692 1.084 399 HG3 LYS 51 3HG LYS 51 6.648 7.260 2.430 400 HD2 LYS 51 2HD LYS 51 7.393 7.166 -0.512 401 HD3 LYS 51 3HD LYS 51 7.869 8.413 0.639 402 HE2 LYS 51 2HE LYS 51 8.656 5.485 0.859 403 HE3 LYS 51 3HE LYS 51 9.670 6.754 0.178 404 HZ1 LYS 51 3HZ LYS 51 10.202 6.256 2.498 405 HZ2 LYS 51 1HZ LYS 51 8.653 6.739 2.962 406 HZ3 LYS 51 2HZ LYS 51 9.719 7.855 2.285 407 H LEU 52 H LEU 52 5.272 6.949 -1.872 408 HA LEU 52 HA LEU 52 2.765 8.199 -1.346 409 HB2 LEU 52 2HB LEU 52 4.762 8.298 -3.609 410 HB3 LEU 52 3HB LEU 52 3.188 9.016 -3.863 411 HG LEU 52 HG LEU 52 4.975 10.656 -3.185 412 HD11 LEU 52 1HD1 LEU 52 2.619 11.198 -2.884 413 HD12 LEU 52 2HD1 LEU 52 3.602 11.904 -1.606 414 HD13 LEU 52 3HD1 LEU 52 2.632 10.465 -1.277 415 HD21 LEU 52 3HD2 LEU 52 5.756 10.792 -0.894 416 HD22 LEU 52 1HD2 LEU 52 6.184 9.221 -1.562 417 HD23 LEU 52 2HD2 LEU 52 4.830 9.356 -0.444 418 H TYR 53 H TYR 53 3.839 5.723 -3.613 419 HA TYR 53 HA TYR 53 1.328 5.411 -4.981 420 HB2 TYR 53 2HB TYR 53 3.836 3.672 -4.999 421 HB3 TYR 53 3HB TYR 53 2.477 3.501 -6.113 422 HD1 TYR 53 HD1 TYR 53 2.020 5.274 -7.806 423 HD2 TYR 53 HD2 TYR 53 5.498 5.431 -5.324 424 HE1 TYR 53 HE1 TYR 53 3.025 6.940 -9.304 425 HE2 TYR 53 HE2 TYR 53 6.501 7.094 -6.823 426 HH TYR 53 HH TYR 53 6.306 7.787 -9.181 427 H SER 54 H SER 54 2.922 3.890 -2.255 428 HA SER 54 HA SER 54 1.374 1.510 -2.138 429 HB2 SER 54 2HB SER 54 2.313 1.270 0.111 430 HB3 SER 54 3HB SER 54 3.569 1.784 -1.008 431 HG SER 54 HG SER 54 2.171 3.392 0.873 432 H ASN 55 H ASN 55 1.002 4.736 -0.724 433 HA ASN 55 HA ASN 55 -1.383 4.065 0.795 434 HB2 ASN 55 2HB ASN 55 -0.201 6.812 0.248 435 HB3 ASN 55 3HB ASN 55 -1.419 6.423 1.462 436 HD21 ASN 55 1HD2 ASN 55 1.019 7.703 1.978 437 HD22 ASN 55 2HD2 ASN 55 1.961 6.688 3.011 438 H ARG 56 H ARG 56 -0.606 5.321 -2.344 439 HA ARG 56 HA ARG 56 -3.170 6.274 -3.133 440 HB2 ARG 56 2HB ARG 56 -1.061 6.767 -4.359 441 HB3 ARG 56 3HB ARG 56 -0.906 5.068 -4.787 442 HG2 ARG 56 2HG ARG 56 -3.021 5.260 -6.120 443 HG3 ARG 56 3HG ARG 56 -3.057 6.987 -5.750 444 HD2 ARG 56 2HD ARG 56 -0.888 7.285 -6.878 445 HD3 ARG 56 3HD ARG 56 -0.804 5.554 -7.205 446 HE ARG 56 HE ARG 56 -2.967 7.227 -8.326 447 HH11 ARG 56 1HH1 ARG 56 -0.360 4.915 -8.795 448 HH12 ARG 56 2HH1 ARG 56 -0.716 4.695 -10.480 449 HH21 ARG 56 1HH2 ARG 56 -3.397 6.928 -10.557 450 HH22 ARG 56 2HH2 ARG 56 -2.421 5.822 -11.476 451 H ALA 57 H ALA 57 -1.530 3.129 -3.357 452 HA ALA 57 HA ALA 57 -3.640 1.591 -4.448 453 HB1 ALA 57 3HB ALA 57 -2.319 -0.359 -3.711 454 HB2 ALA 57 1HB ALA 57 -1.295 0.694 -2.725 455 HB3 ALA 57 2HB ALA 57 -1.292 0.849 -4.484 456 H ALA 58 H ALA 58 -2.748 2.460 -1.137 457 HA ALA 58 HA ALA 58 -4.563 0.838 0.304 458 HB1 ALA 58 3HB ALA 58 -4.177 2.375 2.185 459 HB2 ALA 58 1HB ALA 58 -3.455 3.560 1.086 460 HB3 ALA 58 2HB ALA 58 -2.658 2.012 1.363 461 H CYS 59 H CYS 59 -4.886 4.026 -1.194 462 HA CYS 59 HA CYS 59 -7.536 4.611 -0.330 463 HB2 CYS 59 2HB CYS 59 -5.948 6.321 -1.259 464 HB3 CYS 59 3HB CYS 59 -6.119 5.593 -2.851 465 HG CYS 59 HG CYS 59 -7.788 8.031 -1.706 466 H TYR 60 H TYR 60 -6.163 3.165 -3.291 467 HA TYR 60 HA TYR 60 -8.460 2.860 -4.803 468 HB2 TYR 60 2HB TYR 60 -5.856 1.313 -4.789 469 HB3 TYR 60 3HB TYR 60 -7.146 0.876 -5.903 470 HD1 TYR 60 HD1 TYR 60 -8.112 3.793 -6.396 471 HD2 TYR 60 HD2 TYR 60 -4.250 1.954 -6.490 472 HE1 TYR 60 HE1 TYR 60 -7.368 5.449 -8.038 473 HE2 TYR 60 HE2 TYR 60 -3.504 3.622 -8.135 474 HH TYR 60 HH TYR 60 -4.452 5.137 -9.781 475 H THR 61 H THR 61 -7.180 0.567 -2.377 476 HA THR 61 HA THR 61 -8.995 -1.532 -2.790 477 HB THR 61 HB THR 61 -8.585 -2.182 -0.407 478 HG1 THR 61 HG1 THR 61 -7.096 0.251 -0.300 479 HG21 THR 61 3HG2 THR 61 -6.958 -2.866 -2.114 480 HG22 THR 61 1HG2 THR 61 -6.145 -2.519 -0.590 481 HG23 THR 61 2HG2 THR 61 -6.079 -1.347 -1.909 482 H LYS 62 H LYS 62 -9.322 1.474 -0.898 483 HA LYS 62 HA LYS 62 -11.787 0.807 0.416 484 HB2 LYS 62 2HB LYS 62 -10.344 3.458 -0.021 485 HB3 LYS 62 3HB LYS 62 -11.850 3.348 0.882 486 HG2 LYS 62 2HG LYS 62 -9.260 1.938 1.603 487 HG3 LYS 62 3HG LYS 62 -9.873 3.408 2.364 488 HD2 LYS 62 2HD LYS 62 -11.237 0.682 2.408 489 HD3 LYS 62 3HD LYS 62 -10.343 1.412 3.740 490 HE2 LYS 62 2HE LYS 62 -11.991 3.186 3.951 491 HE3 LYS 62 3HE LYS 62 -12.835 2.627 2.504 492 HZ1 LYS 62 3HZ LYS 62 -12.572 1.114 5.049 493 HZ2 LYS 62 1HZ LYS 62 -13.356 0.566 3.657 494 HZ3 LYS 62 2HZ LYS 62 -13.962 1.898 4.492 495 H LEU 63 H LEU 63 -10.938 2.209 -2.623 496 HA LEU 63 HA LEU 63 -13.654 3.117 -3.249 497 HB2 LEU 63 2HB LEU 63 -11.096 3.268 -4.901 498 HB3 LEU 63 3HB LEU 63 -12.599 4.124 -5.223 499 HG LEU 63 HG LEU 63 -10.816 4.591 -2.799 500 HD11 LEU 63 1HD1 LEU 63 -9.700 5.339 -4.810 501 HD12 LEU 63 2HD1 LEU 63 -10.207 6.719 -3.841 502 HD13 LEU 63 3HD1 LEU 63 -11.114 6.281 -5.293 503 HD21 LEU 63 3HD2 LEU 63 -13.297 6.095 -3.702 504 HD22 LEU 63 1HD2 LEU 63 -12.224 6.574 -2.380 505 HD23 LEU 63 2HD2 LEU 63 -13.138 5.074 -2.269 506 H LEU 64 H LEU 64 -12.279 0.164 -3.179 507 HA LEU 64 HA LEU 64 -12.704 -1.836 -4.104 508 HB2 LEU 64 2HB LEU 64 -15.002 -0.342 -5.413 509 HB3 LEU 64 3HB LEU 64 -14.725 -2.041 -5.738 510 HG LEU 64 HG LEU 64 -16.488 -1.811 -4.084 511 HD11 LEU 64 1HD1 LEU 64 -15.658 -3.257 -2.315 512 HD12 LEU 64 2HD1 LEU 64 -13.991 -2.882 -2.749 513 HD13 LEU 64 3HD1 LEU 64 -15.024 -3.758 -3.881 514 HD21 LEU 64 3HD2 LEU 64 -14.527 -0.313 -2.312 515 HD22 LEU 64 1HD2 LEU 64 -16.165 -0.806 -1.864 516 HD23 LEU 64 2HD2 LEU 64 -15.919 0.382 -3.143 517 H GLU 65 H GLU 65 -11.077 0.318 -5.509 518 HA GLU 65 HA GLU 65 -10.802 -0.676 -8.240 519 HB2 GLU 65 2HB GLU 65 -9.209 1.468 -6.753 520 HB3 GLU 65 3HB GLU 65 -9.223 1.201 -8.489 521 HG2 GLU 65 2HG GLU 65 -11.682 2.043 -6.939 522 HG3 GLU 65 3HG GLU 65 -10.532 3.201 -7.601 523 H PHE 66 H PHE 66 -10.252 -2.651 -6.340 524 HA PHE 66 HA PHE 66 -7.679 -2.933 -5.337 525 HB2 PHE 66 2HB PHE 66 -9.689 -5.026 -6.243 526 HB3 PHE 66 3HB PHE 66 -8.153 -5.465 -5.514 527 HD1 PHE 66 HD2 PHE 66 -11.432 -3.831 -4.868 528 HD2 PHE 66 HD1 PHE 66 -7.797 -5.306 -3.145 529 HE1 PHE 66 HE2 PHE 66 -12.422 -3.696 -2.622 530 HE2 PHE 66 HE1 PHE 66 -8.806 -5.169 -0.908 531 HZ PHE 66 HZ PHE 66 -11.119 -4.363 -0.646 532 H GLN 67 H GLN 67 -8.860 -3.583 -8.618 533 HA GLN 67 HA GLN 67 -6.662 -5.013 -9.656 534 HB2 GLN 67 2HB GLN 67 -8.568 -3.103 -11.076 535 HB3 GLN 67 3HB GLN 67 -7.448 -4.179 -11.901 536 HG2 GLN 67 2HG GLN 67 -9.772 -5.020 -10.151 537 HG3 GLN 67 3HG GLN 67 -9.708 -5.092 -11.912 538 HE21 GLN 67 1HE2 GLN 67 -8.696 -6.606 -8.946 539 HE22 GLN 67 2HE2 GLN 67 -8.005 -8.018 -9.665 540 H LEU 68 H LEU 68 -7.252 -1.549 -9.242 541 HA LEU 68 HA LEU 68 -4.903 -0.691 -10.683 542 HB2 LEU 68 2HB LEU 68 -6.580 0.938 -8.731 543 HB3 LEU 68 3HB LEU 68 -5.475 1.559 -9.950 544 HG LEU 68 HG LEU 68 -8.189 0.269 -10.387 545 HD11 LEU 68 1HD1 LEU 68 -8.771 2.421 -11.415 546 HD12 LEU 68 2HD1 LEU 68 -7.155 3.041 -11.053 547 HD13 LEU 68 3HD1 LEU 68 -8.255 2.610 -9.740 548 HD21 LEU 68 3HD2 LEU 68 -6.752 -0.628 -12.124 549 HD22 LEU 68 1HD2 LEU 68 -6.161 0.987 -12.533 550 HD23 LEU 68 2HD2 LEU 68 -7.850 0.557 -12.819 551 H ALA 69 H ALA 69 -5.832 -1.319 -7.349 552 HA ALA 69 HA ALA 69 -3.577 -0.317 -5.985 553 HB1 ALA 69 3HB ALA 69 -4.307 -1.725 -4.105 554 HB2 ALA 69 1HB ALA 69 -5.397 -2.618 -5.175 555 HB3 ALA 69 2HB ALA 69 -5.689 -0.911 -4.838 556 H LEU 70 H LEU 70 -4.231 -3.487 -7.476 557 HA LEU 70 HA LEU 70 -1.865 -4.816 -6.656 558 HB2 LEU 70 2HB LEU 70 -3.605 -5.283 -9.113 559 HB3 LEU 70 3HB LEU 70 -2.327 -6.368 -8.595 560 HG LEU 70 HG LEU 70 -4.883 -5.770 -7.060 561 HD11 LEU 70 1HD1 LEU 70 -4.056 -8.273 -8.550 562 HD12 LEU 70 2HD1 LEU 70 -5.302 -7.122 -9.038 563 HD13 LEU 70 3HD1 LEU 70 -5.519 -8.079 -7.576 564 HD21 LEU 70 3HD2 LEU 70 -4.202 -7.548 -5.504 565 HD22 LEU 70 1HD2 LEU 70 -3.054 -6.212 -5.498 566 HD23 LEU 70 2HD2 LEU 70 -2.657 -7.708 -6.346 567 H LYS 71 H LYS 71 -2.681 -3.323 -9.835 568 HA LYS 71 HA LYS 71 -0.154 -3.838 -10.994 569 HB2 LYS 71 2HB LYS 71 -0.854 -2.444 -12.865 570 HB3 LYS 71 3HB LYS 71 -2.190 -3.464 -12.346 571 HG2 LYS 71 2HG LYS 71 -3.286 -1.582 -11.261 572 HG3 LYS 71 3HG LYS 71 -1.895 -0.541 -11.573 573 HD2 LYS 71 2HD LYS 71 -3.705 -0.060 -13.160 574 HD3 LYS 71 3HD LYS 71 -2.298 -0.711 -14.004 575 HE2 LYS 71 2HE LYS 71 -3.404 -2.927 -14.098 576 HE3 LYS 71 3HE LYS 71 -4.808 -2.252 -13.264 577 HZ1 LYS 71 3HZ LYS 71 -3.787 -1.312 -15.893 578 HZ2 LYS 71 1HZ LYS 71 -5.184 -0.769 -15.105 579 HZ3 LYS 71 2HZ LYS 71 -5.099 -2.357 -15.681 580 H ASP 72 H ASP 72 -1.364 -0.976 -9.257 581 HA ASP 72 HA ASP 72 0.808 0.785 -9.817 582 HB2 ASP 72 2HB ASP 72 -1.423 1.534 -8.950 583 HB3 ASP 72 3HB ASP 72 -1.061 0.790 -7.400 584 H CYS 73 H CYS 73 0.188 -1.594 -7.267 585 HA CYS 73 HA CYS 73 2.576 -1.232 -5.754 586 HB2 CYS 73 2HB CYS 73 0.651 -2.398 -4.797 587 HB3 CYS 73 3HB CYS 73 0.734 -3.645 -6.032 588 HG CYS 73 HG CYS 73 3.495 -4.228 -5.000 589 H GLU 74 H GLU 74 1.794 -3.152 -8.640 590 HA GLU 74 HA GLU 74 4.177 -4.755 -8.593 591 HB2 GLU 74 2HB GLU 74 2.312 -4.267 -10.946 592 HB3 GLU 74 3HB GLU 74 3.532 -5.532 -10.842 593 HG2 GLU 74 2HG GLU 74 0.962 -5.295 -9.266 594 HG3 GLU 74 3HG GLU 74 1.399 -6.541 -10.423 595 H GLU 75 H GLU 75 3.474 -1.584 -10.005 596 HA GLU 75 HA GLU 75 6.172 -1.542 -11.176 597 HB2 GLU 75 2HB GLU 75 5.665 0.727 -11.966 598 HB3 GLU 75 3HB GLU 75 4.485 -0.457 -12.514 599 HG2 GLU 75 2HG GLU 75 2.906 0.342 -10.780 600 HG3 GLU 75 3HG GLU 75 4.083 1.563 -10.289 601 H CYS 76 H CYS 76 4.509 -0.449 -8.305 602 HA CYS 76 HA CYS 76 6.354 1.418 -7.273 603 HB2 CYS 76 2HB CYS 76 4.079 1.072 -6.351 604 HB3 CYS 76 3HB CYS 76 4.556 -0.511 -5.739 605 HG CYS 76 HG CYS 76 6.620 0.730 -4.122 606 H ILE 77 H ILE 77 6.336 -2.124 -7.132 607 HA ILE 77 HA ILE 77 8.604 -2.461 -5.439 608 HB ILE 77 HB ILE 77 6.932 -4.255 -5.834 609 HG12 ILE 77 2HG1 ILE 77 9.420 -4.775 -5.175 610 HG13 ILE 77 3HG1 ILE 77 8.354 -6.098 -5.606 611 HG21 ILE 77 1HG2 ILE 77 8.086 -4.473 -8.620 612 HG22 ILE 77 2HG2 ILE 77 6.466 -3.934 -8.183 613 HG23 ILE 77 3HG2 ILE 77 6.941 -5.608 -7.895 614 HD11 ILE 77 3HD1 ILE 77 10.574 -6.396 -6.515 615 HD12 ILE 77 1HD1 ILE 77 10.458 -4.873 -7.392 616 HD13 ILE 77 2HD1 ILE 77 9.400 -6.222 -7.818 617 H GLN 78 H GLN 78 8.207 -1.792 -8.869 618 HA GLN 78 HA GLN 78 10.877 -2.586 -9.652 619 HB2 GLN 78 2HB GLN 78 8.783 -0.927 -11.134 620 HB3 GLN 78 3HB GLN 78 10.263 -1.559 -11.846 621 HG2 GLN 78 2HG GLN 78 8.015 -3.269 -10.722 622 HG3 GLN 78 3HG GLN 78 8.245 -2.889 -12.429 623 HE21 GLN 78 1HE2 GLN 78 9.489 -4.730 -9.714 624 HE22 GLN 78 2HE2 GLN 78 10.514 -5.763 -10.642 625 H LEU 79 H LEU 79 9.278 0.327 -8.512 626 HA LEU 79 HA LEU 79 11.442 2.158 -9.032 627 HB2 LEU 79 2HB LEU 79 9.147 2.376 -7.034 628 HB3 LEU 79 3HB LEU 79 10.229 3.685 -7.489 629 HG LEU 79 HG LEU 79 8.161 2.346 -9.268 630 HD11 LEU 79 1HD1 LEU 79 7.081 4.560 -9.234 631 HD12 LEU 79 2HD1 LEU 79 8.303 5.141 -8.099 632 HD13 LEU 79 3HD1 LEU 79 7.196 3.848 -7.626 633 HD21 LEU 79 3HD2 LEU 79 10.129 4.553 -9.986 634 HD22 LEU 79 1HD2 LEU 79 8.795 3.986 -11.000 635 HD23 LEU 79 2HD2 LEU 79 10.128 2.902 -10.614 636 H GLU 80 H GLU 80 10.103 0.757 -6.032 637 HA GLU 80 HA GLU 80 12.741 0.474 -4.823 638 HB2 GLU 80 2HB GLU 80 12.085 2.810 -4.268 639 HB3 GLU 80 3HB GLU 80 10.578 2.232 -3.564 640 HG2 GLU 80 2HG GLU 80 12.286 2.796 -1.849 641 HG3 GLU 80 3HG GLU 80 11.783 1.105 -1.772 642 HA PRO 81 HA PRO 81 10.061 -3.106 -3.869 643 HB2 PRO 81 2HB PRO 81 12.032 -4.949 -3.464 644 HB3 PRO 81 3HB PRO 81 11.624 -4.351 -5.088 645 HG2 PRO 81 2HG PRO 81 13.846 -3.457 -3.268 646 HG3 PRO 81 3HG PRO 81 13.916 -3.874 -4.997 647 HD2 PRO 81 2HD PRO 81 13.757 -1.296 -4.148 648 HD3 PRO 81 3HD PRO 81 13.007 -1.832 -5.670 649 H THR 82 H THR 82 11.921 -1.302 -1.659 650 HA THR 82 HA THR 82 11.424 -3.123 0.610 651 HB THR 82 HB THR 82 12.684 -1.453 1.980 652 HG1 THR 82 HG1 THR 82 13.441 -0.088 -0.359 653 HG21 THR 82 3HG2 THR 82 14.911 -1.843 0.980 654 HG22 THR 82 1HG2 THR 82 14.158 -2.287 -0.556 655 HG23 THR 82 2HG2 THR 82 13.926 -3.302 0.870 656 H PHE 83 H PHE 83 9.312 -1.487 -0.954 657 HA PHE 83 HA PHE 83 8.298 0.436 0.927 658 HB2 PHE 83 2HB PHE 83 6.558 0.882 -0.666 659 HB3 PHE 83 3HB PHE 83 8.043 0.666 -1.571 660 HD1 PHE 83 HD1 PHE 83 8.418 -1.819 -2.538 661 HD2 PHE 83 HD2 PHE 83 4.653 -0.203 -1.375 662 HE1 PHE 83 HE1 PHE 83 7.275 -3.491 -3.918 663 HE2 PHE 83 HE2 PHE 83 3.507 -1.869 -2.788 664 HZ PHE 83 HZ PHE 83 4.821 -3.520 -4.057 665 H ILE 84 H ILE 84 7.653 -0.376 2.787 666 HA ILE 84 HA ILE 84 6.496 -2.994 3.163 667 HB ILE 84 HB ILE 84 7.062 -0.701 5.082 668 HG12 ILE 84 2HG1 ILE 84 8.478 -3.368 4.621 669 HG13 ILE 84 3HG1 ILE 84 9.073 -1.782 4.146 670 HG21 ILE 84 1HG2 ILE 84 6.075 -3.469 5.802 671 HG22 ILE 84 2HG2 ILE 84 5.170 -1.964 5.977 672 HG23 ILE 84 3HG2 ILE 84 6.617 -2.242 6.948 673 HD11 ILE 84 3HD1 ILE 84 10.209 -2.581 6.108 674 HD12 ILE 84 1HD1 ILE 84 8.679 -2.753 6.970 675 HD13 ILE 84 2HD1 ILE 84 9.253 -1.152 6.494 676 H LYS 85 H LYS 85 5.381 0.303 3.036 677 HA LYS 85 HA LYS 85 2.823 -0.017 4.225 678 HB2 LYS 85 2HB LYS 85 4.048 2.166 2.497 679 HB3 LYS 85 3HB LYS 85 2.372 2.257 3.025 680 HG2 LYS 85 2HG LYS 85 3.764 3.591 4.497 681 HG3 LYS 85 3HG LYS 85 3.101 2.214 5.375 682 HD2 LYS 85 2HD LYS 85 5.355 1.043 4.939 683 HD3 LYS 85 3HD LYS 85 5.958 2.620 4.420 684 HE2 LYS 85 2HE LYS 85 6.530 2.197 6.762 685 HE3 LYS 85 3HE LYS 85 5.397 3.545 6.649 686 HZ1 LYS 85 3HZ LYS 85 4.682 0.739 7.339 687 HZ2 LYS 85 1HZ LYS 85 3.598 2.037 7.240 688 HZ3 LYS 85 2HZ LYS 85 4.798 2.026 8.426 689 H GLY 86 H GLY 86 3.984 -0.957 1.146 690 HA2 GLY 86 2HA GLY 86 1.274 -0.988 -0.058 691 HA3 GLY 86 3HA GLY 86 2.796 -1.126 -0.922 692 H TYR 87 H TYR 87 3.932 -3.088 0.987 693 HA TYR 87 HA TYR 87 2.917 -5.487 -0.157 694 HB2 TYR 87 2HB TYR 87 4.925 -4.937 2.049 695 HB3 TYR 87 3HB TYR 87 4.384 -6.583 1.733 696 HD1 TYR 87 HD2 TYR 87 4.295 -6.991 -1.049 697 HD2 TYR 87 HD1 TYR 87 7.043 -4.535 1.096 698 HE1 TYR 87 HE2 TYR 87 5.933 -7.255 -2.854 699 HE2 TYR 87 HE1 TYR 87 8.677 -4.800 -0.705 700 HH TYR 87 HH TYR 87 7.886 -6.108 -3.742 701 H THR 88 H THR 88 2.418 -3.956 3.025 702 HA THR 88 HA THR 88 0.837 -6.018 4.133 703 HB THR 88 HB THR 88 0.603 -3.063 4.845 704 HG1 THR 88 HG1 THR 88 2.540 -3.197 5.727 705 HG21 THR 88 3HG2 THR 88 0.068 -3.942 7.087 706 HG22 THR 88 1HG2 THR 88 0.251 -5.595 6.503 707 HG23 THR 88 2HG2 THR 88 -1.065 -4.585 5.898 708 H ARG 89 H ARG 89 0.087 -3.348 1.951 709 HA ARG 89 HA ARG 89 -2.771 -3.628 1.978 710 HB2 ARG 89 2HB ARG 89 -1.058 -2.430 -0.241 711 HB3 ARG 89 3HB ARG 89 -2.783 -2.185 -0.004 712 HG2 ARG 89 2HG ARG 89 -0.564 -1.173 1.790 713 HG3 ARG 89 3HG ARG 89 -1.499 -0.216 0.643 714 HD2 ARG 89 2HD ARG 89 -2.489 0.301 2.688 715 HD3 ARG 89 3HD ARG 89 -3.557 -0.952 2.068 716 HE ARG 89 HE ARG 89 -2.616 -2.491 3.624 717 HH11 ARG 89 1HH1 ARG 89 -1.482 0.811 4.148 718 HH12 ARG 89 2HH1 ARG 89 -1.000 0.505 5.787 719 HH21 ARG 89 1HH2 ARG 89 -2.096 -2.827 5.811 720 HH22 ARG 89 2HH2 ARG 89 -1.348 -1.552 6.727 721 H LYS 90 H LYS 90 -0.110 -4.902 0.073 722 HA LYS 90 HA LYS 90 -1.542 -6.000 -2.093 723 HB2 LYS 90 2HB LYS 90 0.890 -5.472 -2.186 724 HB3 LYS 90 3HB LYS 90 1.214 -6.729 -0.998 725 HG2 LYS 90 2HG LYS 90 1.802 -7.565 -3.184 726 HG3 LYS 90 3HG LYS 90 0.374 -8.436 -2.617 727 HD2 LYS 90 2HD LYS 90 -1.056 -6.959 -4.036 728 HD3 LYS 90 3HD LYS 90 0.397 -6.144 -4.626 729 HE2 LYS 90 2HE LYS 90 -0.326 -9.070 -5.036 730 HE3 LYS 90 3HE LYS 90 -0.342 -7.802 -6.261 731 HZ1 LYS 90 3HZ LYS 90 1.643 -9.063 -6.509 732 HZ2 LYS 90 1HZ LYS 90 2.035 -8.915 -4.869 733 HZ3 LYS 90 2HZ LYS 90 2.081 -7.562 -5.873 734 H ALA 91 H ALA 91 -0.453 -7.353 1.005 735 HA ALA 91 HA ALA 91 -1.128 -10.060 0.556 736 HB1 ALA 91 3HB ALA 91 -0.982 -8.539 3.190 737 HB2 ALA 91 1HB ALA 91 0.366 -9.335 2.374 738 HB3 ALA 91 2HB ALA 91 -0.971 -10.298 3.004 739 H ALA 92 H ALA 92 -2.943 -7.404 2.119 740 HA ALA 92 HA ALA 92 -5.300 -8.938 2.648 741 HB1 ALA 92 3HB ALA 92 -4.938 -5.926 2.602 742 HB2 ALA 92 1HB ALA 92 -4.693 -6.975 3.999 743 HB3 ALA 92 2HB ALA 92 -6.306 -6.794 3.304 744 H ALA 93 H ALA 93 -4.177 -7.096 -0.110 745 HA ALA 93 HA ALA 93 -6.679 -6.883 -1.493 746 HB1 ALA 93 3HB ALA 93 -4.794 -5.403 -2.058 747 HB2 ALA 93 1HB ALA 93 -5.312 -6.321 -3.473 748 HB3 ALA 93 2HB ALA 93 -3.846 -6.790 -2.603 749 H LEU 94 H LEU 94 -3.904 -9.112 -1.652 750 HA LEU 94 HA LEU 94 -4.928 -10.906 -3.576 751 HB2 LEU 94 2HB LEU 94 -2.820 -11.254 -1.415 752 HB3 LEU 94 3HB LEU 94 -3.215 -12.537 -2.551 753 HG LEU 94 HG LEU 94 -2.143 -9.796 -3.329 754 HD11 LEU 94 1HD1 LEU 94 -0.695 -12.455 -3.254 755 HD12 LEU 94 2HD1 LEU 94 -0.448 -11.094 -2.157 756 HD13 LEU 94 3HD1 LEU 94 -0.050 -10.926 -3.864 757 HD21 LEU 94 3HD2 LEU 94 -3.562 -10.725 -5.084 758 HD22 LEU 94 1HD2 LEU 94 -2.657 -12.244 -5.052 759 HD23 LEU 94 2HD2 LEU 94 -1.872 -10.751 -5.578 760 H GLU 95 H GLU 95 -5.291 -10.740 -0.054 761 HA GLU 95 HA GLU 95 -6.703 -13.105 0.420 762 HB2 GLU 95 2HB GLU 95 -6.054 -11.689 2.289 763 HB3 GLU 95 3HB GLU 95 -7.026 -10.350 1.679 764 HG2 GLU 95 2HG GLU 95 -9.087 -11.641 2.100 765 HG3 GLU 95 3HG GLU 95 -8.125 -12.999 2.665 766 H ALA 96 H ALA 96 -7.785 -10.020 -0.980 767 HA ALA 96 HA ALA 96 -10.594 -10.808 -1.142 768 HB1 ALA 96 3HB ALA 96 -10.913 -8.588 -2.182 769 HB2 ALA 96 1HB ALA 96 -9.163 -8.349 -2.242 770 HB3 ALA 96 2HB ALA 96 -9.990 -8.446 -0.687 771 H MET 97 H MET 97 -7.858 -11.641 -2.859 772 HA MET 97 HA MET 97 -9.314 -12.060 -5.418 773 HB2 MET 97 2HB MET 97 -6.307 -12.177 -4.866 774 HB3 MET 97 3HB MET 97 -7.082 -12.374 -6.437 775 HG2 MET 97 2HG MET 97 -6.963 -9.873 -4.762 776 HG3 MET 97 3HG MET 97 -6.167 -10.167 -6.313 777 HE1 MET 97 3HE MET 97 -8.973 -7.440 -6.976 778 HE2 MET 97 1HE MET 97 -7.244 -7.761 -7.047 779 HE3 MET 97 2HE MET 97 -8.060 -7.655 -5.485 780 H LYS 98 H LYS 98 -8.938 -13.599 -2.624 781 HA LYS 98 HA LYS 98 -9.050 -15.711 -1.835 782 HB2 LYS 98 2HB LYS 98 -9.376 -16.578 -4.733 783 HB3 LYS 98 3HB LYS 98 -9.698 -17.593 -3.333 784 HG2 LYS 98 2HG LYS 98 -11.218 -15.076 -4.101 785 HG3 LYS 98 3HG LYS 98 -11.781 -16.730 -4.327 786 HD2 LYS 98 2HD LYS 98 -11.229 -15.397 -1.645 787 HD3 LYS 98 3HD LYS 98 -12.823 -15.644 -2.358 788 HE2 LYS 98 2HE LYS 98 -10.907 -17.866 -1.547 789 HE3 LYS 98 3HE LYS 98 -12.296 -17.321 -0.610 790 HZ1 LYS 98 3HZ LYS 98 -13.759 -18.065 -2.315 791 HZ2 LYS 98 1HZ LYS 98 -12.716 -19.333 -1.928 792 HZ3 LYS 98 2HZ LYS 98 -12.483 -18.446 -3.346 793 H ASP 99 H ASP 99 -6.493 -14.517 -3.153 794 HA ASP 99 HA ASP 99 -4.813 -16.893 -3.532 795 HB2 ASP 99 2HB ASP 99 -4.372 -13.907 -4.012 796 HB3 ASP 99 3HB ASP 99 -3.076 -15.085 -4.166 797 H TYR 100 H TYR 100 -5.728 -16.661 -0.970 798 HA TYR 100 HA TYR 100 -4.338 -15.339 0.989 799 HB2 TYR 100 2HB TYR 100 -5.145 -18.273 1.172 800 HB3 TYR 100 3HB TYR 100 -5.018 -17.120 2.498 801 HD1 TYR 100 HD1 TYR 100 -6.508 -14.844 1.901 802 HD2 TYR 100 HD2 TYR 100 -7.370 -18.831 0.655 803 HE1 TYR 100 HE1 TYR 100 -8.864 -14.275 1.652 804 HE2 TYR 100 HE2 TYR 100 -9.740 -18.248 0.416 805 HH TYR 100 HH TYR 100 -11.307 -16.588 1.333 806 H THR 101 H THR 101 -3.296 -18.252 -0.745 807 HA THR 101 HA THR 101 -0.986 -18.863 0.763 808 HB THR 101 HB THR 101 -0.295 -20.162 -1.310 809 HG1 THR 101 HG1 THR 101 -2.603 -20.018 -2.645 810 HG21 THR 101 3HG2 THR 101 -2.141 -21.787 -1.195 811 HG22 THR 101 1HG2 THR 101 -3.161 -20.589 -0.388 812 HG23 THR 101 2HG2 THR 101 -1.721 -21.217 0.422 813 H LYS 102 H LYS 102 -1.558 -16.735 -2.009 814 HA LYS 102 HA LYS 102 1.257 -16.125 -2.424 815 HB2 LYS 102 2HB LYS 102 -1.114 -14.589 -3.565 816 HB3 LYS 102 3HB LYS 102 0.506 -14.732 -4.245 817 HG2 LYS 102 2HG LYS 102 -1.642 -16.863 -4.101 818 HG3 LYS 102 3HG LYS 102 -1.003 -16.095 -5.557 819 HD2 LYS 102 2HD LYS 102 1.095 -17.270 -5.361 820 HD3 LYS 102 3HD LYS 102 0.728 -17.795 -3.715 821 HE2 LYS 102 2HE LYS 102 -1.130 -19.182 -4.595 822 HE3 LYS 102 3HE LYS 102 -0.689 -18.701 -6.228 823 HZ1 LYS 102 3HZ LYS 102 0.249 -20.846 -5.686 824 HZ2 LYS 102 1HZ LYS 102 1.029 -20.204 -4.330 825 HZ3 LYS 102 2HZ LYS 102 1.491 -19.720 -5.878 826 H ALA 103 H ALA 103 -1.461 -14.856 -0.695 827 HA ALA 103 HA ALA 103 -0.570 -12.250 -0.088 828 HB1 ALA 103 3HB ALA 103 -2.454 -14.046 1.483 829 HB2 ALA 103 1HB ALA 103 -2.917 -12.935 0.190 830 HB3 ALA 103 2HB ALA 103 -2.261 -12.305 1.704 831 H MET 104 H MET 104 -0.366 -15.354 1.660 832 HA MET 104 HA MET 104 1.022 -14.362 3.929 833 HB2 MET 104 2HB MET 104 1.304 -16.642 4.624 834 HB3 MET 104 3HB MET 104 -0.283 -16.501 3.902 835 HG2 MET 104 2HG MET 104 0.553 -17.586 1.862 836 HG3 MET 104 3HG MET 104 2.152 -17.719 2.594 837 HE1 MET 104 3HE MET 104 -1.562 -19.948 4.242 838 HE2 MET 104 1HE MET 104 -1.641 -18.850 2.866 839 HE3 MET 104 2HE MET 104 -1.328 -18.217 4.484 840 H ASP 105 H ASP 105 2.142 -15.475 0.773 841 HA ASP 105 HA ASP 105 4.918 -15.604 1.305 842 HB2 ASP 105 2HB ASP 105 3.425 -14.837 -1.239 843 HB3 ASP 105 3HB ASP 105 5.182 -14.946 -1.172 844 H VAL 106 H VAL 106 2.712 -12.916 0.555 845 HA VAL 106 HA VAL 106 4.773 -10.917 0.228 846 HB VAL 106 HB VAL 106 1.745 -10.643 0.601 847 HG11 VAL 106 1HG1 VAL 106 2.887 -8.557 1.248 848 HG12 VAL 106 2HG1 VAL 106 1.988 -8.343 -0.254 849 HG13 VAL 106 3HG1 VAL 106 3.742 -8.539 -0.295 850 HG21 VAL 106 3HG2 VAL 106 2.383 -11.873 -1.442 851 HG22 VAL 106 1HG2 VAL 106 3.435 -10.545 -1.931 852 HG23 VAL 106 2HG2 VAL 106 1.684 -10.305 -1.852 853 H TYR 107 H TYR 107 2.708 -12.043 2.841 854 HA TYR 107 HA TYR 107 3.196 -10.117 4.837 855 HB2 TYR 107 2HB TYR 107 1.496 -11.480 5.618 856 HB3 TYR 107 3HB TYR 107 2.034 -12.853 4.672 857 HD1 TYR 107 HD2 TYR 107 2.529 -11.079 7.920 858 HD2 TYR 107 HD1 TYR 107 3.270 -14.660 5.709 859 HE1 TYR 107 HE2 TYR 107 3.338 -12.183 9.952 860 HE2 TYR 107 HE1 TYR 107 4.083 -15.760 7.747 861 HH TYR 107 HH TYR 107 5.051 -15.072 9.956 862 H GLN 108 H GLN 108 4.847 -13.187 4.111 863 HA GLN 108 HA GLN 108 6.724 -13.134 6.229 864 HB2 GLN 108 2HB GLN 108 5.946 -15.139 4.797 865 HB3 GLN 108 3HB GLN 108 7.070 -14.585 3.569 866 HG2 GLN 108 2HG GLN 108 8.000 -15.228 6.372 867 HG3 GLN 108 3HG GLN 108 7.804 -16.488 5.163 868 HE21 GLN 108 1HE2 GLN 108 9.683 -13.708 6.117 869 HE22 GLN 108 2HE2 GLN 108 10.999 -13.975 5.033 870 H LYS 109 H LYS 109 6.892 -12.225 2.804 871 HA LYS 109 HA LYS 109 9.543 -11.305 2.760 872 HB2 LYS 109 2HB LYS 109 7.163 -10.703 0.967 873 HB3 LYS 109 3HB LYS 109 8.781 -10.095 0.633 874 HG2 LYS 109 2HG LYS 109 7.949 -13.006 0.785 875 HG3 LYS 109 3HG LYS 109 8.350 -12.103 -0.679 876 HD2 LYS 109 2HD LYS 109 10.272 -12.765 1.596 877 HD3 LYS 109 3HD LYS 109 10.216 -13.552 0.022 878 HE2 LYS 109 2HE LYS 109 10.829 -11.433 -1.076 879 HE3 LYS 109 3HE LYS 109 10.847 -10.621 0.490 880 HZ1 LYS 109 3HZ LYS 109 13.060 -11.164 -0.140 881 HZ2 LYS 109 1HZ LYS 109 12.668 -12.785 -0.403 882 HZ3 LYS 109 2HZ LYS 109 12.636 -12.147 1.163 883 H ALA 110 H ALA 110 6.528 -9.671 3.666 884 HA ALA 110 HA ALA 110 7.549 -7.025 3.848 885 HB1 ALA 110 3HB ALA 110 5.312 -8.304 5.473 886 HB2 ALA 110 1HB ALA 110 5.126 -7.499 3.912 887 HB3 ALA 110 2HB ALA 110 5.622 -6.572 5.329 888 H LEU 111 H LEU 111 7.253 -9.662 6.277 889 HA LEU 111 HA LEU 111 8.599 -8.382 8.413 890 HB2 LEU 111 2HB LEU 111 8.384 -11.357 7.815 891 HB3 LEU 111 3HB LEU 111 8.988 -10.695 9.326 892 HG LEU 111 HG LEU 111 6.142 -10.413 8.274 893 HD11 LEU 111 1HD1 LEU 111 6.626 -12.670 9.044 894 HD12 LEU 111 2HD1 LEU 111 5.529 -11.858 10.157 895 HD13 LEU 111 3HD1 LEU 111 7.234 -12.049 10.582 896 HD21 LEU 111 3HD2 LEU 111 6.742 -8.422 9.551 897 HD22 LEU 111 1HD2 LEU 111 7.319 -9.409 10.892 898 HD23 LEU 111 2HD2 LEU 111 5.604 -9.402 10.463 899 H ASP 112 H ASP 112 9.789 -10.069 5.606 900 HA ASP 112 HA ASP 112 12.479 -10.521 6.474 901 HB2 ASP 112 2HB ASP 112 11.460 -11.936 4.745 902 HB3 ASP 112 3HB ASP 112 11.203 -10.546 3.700 903 H LEU 113 H LEU 113 10.781 -7.817 5.052 904 HA LEU 113 HA LEU 113 13.118 -6.291 4.311 905 HB2 LEU 113 2HB LEU 113 10.257 -5.395 4.841 906 HB3 LEU 113 3HB LEU 113 11.523 -4.352 4.207 907 HG LEU 113 HG LEU 113 10.332 -6.778 2.826 908 HD11 LEU 113 1HD1 LEU 113 8.829 -4.888 2.818 909 HD12 LEU 113 2HD1 LEU 113 9.474 -5.159 1.204 910 HD13 LEU 113 3HD1 LEU 113 10.099 -3.833 2.187 911 HD21 LEU 113 3HD2 LEU 113 12.557 -4.945 1.863 912 HD22 LEU 113 1HD2 LEU 113 11.725 -6.152 0.878 913 HD23 LEU 113 2HD2 LEU 113 12.686 -6.664 2.261 914 H ASP 114 H ASP 114 10.689 -5.853 6.928 915 HA ASP 114 HA ASP 114 12.634 -5.307 8.957 916 HB2 ASP 114 2HB ASP 114 12.706 -3.154 7.621 917 HB3 ASP 114 3HB ASP 114 11.001 -2.914 7.976 918 H SER 115 H SER 115 11.764 -5.673 10.892 919 HA SER 115 HA SER 115 9.428 -7.127 11.129 920 HB2 SER 115 2HB SER 115 10.962 -5.732 13.354 921 HB3 SER 115 3HB SER 115 9.858 -7.097 13.558 922 HG SER 115 HG SER 115 11.559 -8.269 13.224 923 H SER 116 H SER 116 9.778 -3.628 11.431 924 HA SER 116 HA SER 116 7.538 -3.001 13.010 925 HB2 SER 116 2HB SER 116 8.735 -1.336 10.755 926 HB3 SER 116 3HB SER 116 7.721 -0.737 12.068 927 HG SER 116 HG SER 116 10.397 -1.299 12.045 928 H CYS 117 H CYS 117 7.550 -4.442 9.929 929 HA CYS 117 HA CYS 117 4.919 -3.626 9.069 930 HB2 CYS 117 2HB CYS 117 5.203 -5.509 7.471 931 HB3 CYS 117 3HB CYS 117 6.624 -4.459 7.503 932 HG CYS 117 HG CYS 117 8.267 -6.325 7.945 933 H LYS 118 H LYS 118 5.542 -5.178 11.890 934 HA LYS 118 HA LYS 118 4.274 -7.579 12.067 935 HB2 LYS 118 2HB LYS 118 4.041 -5.300 14.062 936 HB3 LYS 118 3HB LYS 118 3.498 -6.936 14.407 937 HG2 LYS 118 2HG LYS 118 6.339 -6.045 13.860 938 HG3 LYS 118 3HG LYS 118 5.671 -6.560 15.406 939 HD2 LYS 118 2HD LYS 118 6.048 -8.312 12.942 940 HD3 LYS 118 3HD LYS 118 7.050 -8.328 14.393 941 HE2 LYS 118 2HE LYS 118 4.124 -9.128 14.220 942 HE3 LYS 118 3HE LYS 118 5.499 -10.210 14.424 943 HZ1 LYS 118 3HZ LYS 118 4.669 -8.137 16.379 944 HZ2 LYS 118 1HZ LYS 118 5.931 -9.242 16.569 945 HZ3 LYS 118 2HZ LYS 118 4.334 -9.785 16.504 946 H GLU 119 H GLU 119 2.548 -4.591 11.419 947 HA GLU 119 HA GLU 119 -0.082 -5.300 11.995 948 HB2 GLU 119 2HB GLU 119 -0.709 -3.676 10.170 949 HB3 GLU 119 3HB GLU 119 0.423 -3.042 11.363 950 HG2 GLU 119 2HG GLU 119 2.301 -3.436 9.797 951 HG3 GLU 119 3HG GLU 119 1.162 -4.054 8.598 952 H ALA 120 H ALA 120 1.911 -6.230 9.238 953 HA ALA 120 HA ALA 120 -0.030 -7.654 7.725 954 HB1 ALA 120 3HB ALA 120 2.103 -6.892 6.740 955 HB2 ALA 120 1HB ALA 120 1.916 -8.638 6.553 956 HB3 ALA 120 2HB ALA 120 2.996 -7.994 7.792 957 H ALA 121 H ALA 121 2.008 -8.526 10.528 958 HA ALA 121 HA ALA 121 1.564 -11.365 10.392 959 HB1 ALA 121 3HB ALA 121 3.469 -10.401 11.621 960 HB2 ALA 121 1HB ALA 121 2.481 -11.421 12.669 961 HB3 ALA 121 2HB ALA 121 2.362 -9.663 12.780 962 H ASP 122 H ASP 122 -0.068 -8.675 12.002 963 HA ASP 122 HA ASP 122 -2.074 -10.087 13.397 964 HB2 ASP 122 2HB ASP 122 -1.595 -7.694 13.811 965 HB3 ASP 122 3HB ASP 122 -2.132 -7.278 12.189 966 H GLY 123 H GLY 123 -1.918 -8.769 10.117 967 HA2 GLY 123 2HA GLY 123 -4.529 -9.568 9.268 968 HA3 GLY 123 3HA GLY 123 -3.217 -8.994 8.256 969 H TYR 124 H TYR 124 -1.402 -11.169 9.332 970 HA TYR 124 HA TYR 124 -1.717 -13.079 7.317 971 HB2 TYR 124 2HB TYR 124 0.425 -12.812 8.453 972 HB3 TYR 124 3HB TYR 124 -0.273 -13.321 9.987 973 HD1 TYR 124 HD1 TYR 124 -0.516 -14.873 6.552 974 HD2 TYR 124 HD2 TYR 124 0.831 -15.340 10.577 975 HE1 TYR 124 HE1 TYR 124 0.151 -17.186 6.070 976 HE2 TYR 124 HE2 TYR 124 1.498 -17.652 10.084 977 HH TYR 124 HH TYR 124 1.713 -18.878 6.924 978 H GLN 125 H GLN 125 -2.433 -13.456 10.806 979 HA GLN 125 HA GLN 125 -3.348 -16.033 10.840 980 HB2 GLN 125 2HB GLN 125 -3.844 -13.644 12.575 981 HB3 GLN 125 3HB GLN 125 -4.900 -15.024 12.829 982 HG2 GLN 125 2HG GLN 125 -2.947 -14.971 14.369 983 HG3 GLN 125 3HG GLN 125 -3.042 -16.442 13.407 984 HE21 GLN 125 1HE2 GLN 125 -1.335 -13.420 13.828 985 HE22 GLN 125 2HE2 GLN 125 0.084 -13.865 12.957 986 H ARG 126 H ARG 126 -5.326 -13.188 9.999 987 HA ARG 126 HA ARG 126 -7.713 -14.824 9.701 988 HB2 ARG 126 2HB ARG 126 -8.813 -12.634 9.002 989 HB3 ARG 126 3HB ARG 126 -8.212 -12.743 10.647 990 HG2 ARG 126 2HG ARG 126 -7.615 -10.593 10.025 991 HG3 ARG 126 3HG ARG 126 -6.120 -11.492 9.765 992 HD2 ARG 126 2HD ARG 126 -6.591 -9.888 7.941 993 HD3 ARG 126 3HD ARG 126 -6.548 -11.557 7.362 994 HE ARG 126 HE ARG 126 -8.809 -11.471 6.923 995 HH11 ARG 126 1HH1 ARG 126 -7.837 -8.435 8.434 996 HH12 ARG 126 2HH1 ARG 126 -9.315 -7.629 8.015 997 HH21 ARG 126 1HH2 ARG 126 -10.715 -10.398 6.383 998 HH22 ARG 126 2HH2 ARG 126 -10.937 -8.742 6.855 999 H CYS 127 H CYS 127 -5.155 -13.745 7.589 1000 HA CYS 127 HA CYS 127 -6.669 -14.065 5.126 1001 HB2 CYS 127 2HB CYS 127 -3.674 -13.812 5.643 1002 HB3 CYS 127 3HB CYS 127 -4.384 -13.929 4.032 1003 HG CYS 127 HG CYS 127 -6.068 -11.580 5.312 1004 H MET 128 H MET 128 -4.286 -15.999 6.928 1005 HA MET 128 HA MET 128 -4.136 -18.145 5.084 1006 HB2 MET 128 2HB MET 128 -2.983 -19.390 6.919 1007 HB3 MET 128 3HB MET 128 -2.289 -17.811 6.596 1008 HG2 MET 128 2HG MET 128 -3.264 -16.891 8.584 1009 HG3 MET 128 3HG MET 128 -4.219 -18.344 8.861 1010 HE1 MET 128 3HE MET 128 -2.187 -20.677 8.252 1011 HE2 MET 128 1HE MET 128 -3.226 -20.638 9.677 1012 HE3 MET 128 2HE MET 128 -1.499 -20.950 9.852 1013 H MET 129 H MET 129 -6.031 -17.729 8.134 1014 HA MET 129 HA MET 129 -7.027 -20.380 8.245 1015 HB2 MET 129 2HB MET 129 -8.607 -19.616 9.918 1016 HB3 MET 129 3HB MET 129 -7.057 -18.835 10.201 1017 HG2 MET 129 2HG MET 129 -7.862 -16.739 9.355 1018 HG3 MET 129 3HG MET 129 -9.330 -17.481 8.725 1019 HE1 MET 129 3HE MET 129 -11.407 -18.216 11.904 1020 HE2 MET 129 1HE MET 129 -10.402 -19.331 10.978 1021 HE3 MET 129 2HE MET 129 -11.401 -18.139 10.142 1022 H ALA 130 H ALA 130 -7.952 -17.736 6.261 1023 HA ALA 130 HA ALA 130 -10.720 -18.097 5.957 1024 HB1 ALA 130 3HB ALA 130 -8.721 -16.872 4.032 1025 HB2 ALA 130 1HB ALA 130 -9.551 -16.033 5.344 1026 HB3 ALA 130 2HB ALA 130 -10.475 -16.648 3.972 1027 H GLN 131 H GLN 131 -7.999 -19.614 4.300 1028 HA GLN 131 HA GLN 131 -9.706 -21.031 2.390 1029 HB2 GLN 131 2HB GLN 131 -7.427 -22.140 1.732 1030 HB3 GLN 131 3HB GLN 131 -7.683 -20.448 1.336 1031 HG2 GLN 131 2HG GLN 131 -6.326 -19.737 3.206 1032 HG3 GLN 131 3HG GLN 131 -6.167 -21.398 3.771 1033 HE21 GLN 131 1HE2 GLN 131 -4.058 -19.542 3.103 1034 HE22 GLN 131 2HE2 GLN 131 -3.136 -20.299 1.858 1035 H TYR 132 H TYR 132 -8.608 -21.536 5.572 1036 HA TYR 132 HA TYR 132 -8.589 -24.489 5.362 1037 HB2 TYR 132 2HB TYR 132 -7.702 -22.740 7.706 1038 HB3 TYR 132 3HB TYR 132 -7.425 -24.468 7.530 1039 HD1 TYR 132 HD1 TYR 132 -6.556 -24.249 4.497 1040 HD2 TYR 132 HD2 TYR 132 -5.360 -22.184 8.044 1041 HE1 TYR 132 HE1 TYR 132 -4.387 -23.754 3.474 1042 HE2 TYR 132 HE2 TYR 132 -3.183 -21.696 7.018 1043 HH TYR 132 HH TYR 132 -1.735 -22.535 5.246 1044 H ASN 133 H ASN 133 -11.082 -23.176 5.159 1045 HA ASN 133 HA ASN 133 -12.419 -23.620 7.768 1046 HB2 ASN 133 2HB ASN 133 -13.235 -21.882 5.407 1047 HB3 ASN 133 3HB ASN 133 -14.234 -22.147 6.831 1048 HD21 ASN 133 1HD2 ASN 133 -12.081 -22.040 8.763 1049 HD22 ASN 133 2HD2 ASN 133 -11.566 -20.397 8.827 Start of MODEL 15 1 H1 MET 1 1H MET 1 15.339 6.951 5.656 2 H2 MET 1 2H MET 1 15.393 8.238 6.747 3 H3 MET 1 3H MET 1 13.922 7.471 6.411 4 HA MET 1 HA MET 1 14.642 5.460 7.411 5 HB2 MET 1 2HB MET 1 17.240 6.965 7.981 6 HB3 MET 1 3HB MET 1 16.854 5.366 8.611 7 HG2 MET 1 2HG MET 1 16.908 4.409 6.391 8 HG3 MET 1 3HG MET 1 17.022 6.005 5.656 9 HE1 MET 1 3HE MET 1 19.031 4.498 8.789 10 HE2 MET 1 1HE MET 1 20.476 3.948 7.945 11 HE3 MET 1 2HE MET 1 18.919 3.183 7.616 12 H GLY 2 H GLY 2 15.183 8.797 8.438 13 HA2 GLY 2 2HA GLY 2 13.646 9.877 9.911 14 HA3 GLY 2 3HA GLY 2 13.389 8.358 10.756 15 H HIS 3 H HIS 3 16.510 9.798 9.842 16 HA HIS 3 HA HIS 3 17.554 9.537 12.513 17 HB2 HIS 3 2HB HIS 3 18.748 10.877 10.044 18 HB3 HIS 3 3HB HIS 3 19.611 10.641 11.562 19 HD1 HIS 3 HD1 HIS 3 20.612 9.421 8.898 20 HD2 HIS 3 HD2 HIS 3 18.278 7.401 11.675 21 HE1 HIS 3 HE1 HIS 3 21.074 6.988 8.527 22 HE2 HIS 3 HE2 HIS 3 19.780 5.802 10.336 23 H HIS 4 H HIS 4 17.046 10.891 14.093 24 HA HIS 4 HA HIS 4 15.881 13.493 13.700 25 HB2 HIS 4 2HB HIS 4 15.249 11.894 15.554 26 HB3 HIS 4 3HB HIS 4 16.823 12.159 16.284 27 HD1 HIS 4 HD1 HIS 4 17.212 14.454 17.458 28 HD2 HIS 4 HD2 HIS 4 13.356 13.914 16.005 29 HE1 HIS 4 HE1 HIS 4 15.829 16.268 18.518 30 HE2 HIS 4 HE2 HIS 4 13.558 16.035 17.454 31 H HIS 5 H HIS 5 17.655 14.375 12.477 32 HA HIS 5 HA HIS 5 19.829 15.546 14.124 33 HB2 HIS 5 2HB HIS 5 20.620 13.658 12.580 34 HB3 HIS 5 3HB HIS 5 20.129 14.644 11.212 35 HD1 HIS 5 HD1 HIS 5 22.739 14.396 13.906 36 HD2 HIS 5 HD2 HIS 5 21.968 16.687 10.524 37 HE1 HIS 5 HE1 HIS 5 24.836 15.705 13.481 38 HE2 HIS 5 HE2 HIS 5 24.401 16.936 11.333 39 H HIS 6 H HIS 6 17.044 16.205 12.652 40 HA HIS 6 HA HIS 6 17.653 18.518 11.045 41 HB2 HIS 6 2HB HIS 6 15.645 17.211 10.549 42 HB3 HIS 6 3HB HIS 6 15.027 17.449 12.176 43 HD1 HIS 6 HD1 HIS 6 15.552 19.272 8.919 44 HD2 HIS 6 HD2 HIS 6 13.583 19.813 12.540 45 HE1 HIS 6 HE1 HIS 6 14.089 21.282 8.610 46 HE2 HIS 6 HE2 HIS 6 12.772 21.464 10.740 47 H HIS 7 H HIS 7 18.918 19.790 12.422 48 HA HIS 7 HA HIS 7 17.604 21.141 14.698 49 HB2 HIS 7 2HB HIS 7 20.455 21.301 13.621 50 HB3 HIS 7 3HB HIS 7 19.857 22.252 14.974 51 HD1 HIS 7 HD1 HIS 7 19.892 21.174 17.245 52 HD2 HIS 7 HD2 HIS 7 20.634 18.465 14.190 53 HE1 HIS 7 HE1 HIS 7 20.640 19.063 18.382 54 HE2 HIS 7 HE2 HIS 7 21.272 17.521 16.499 55 H HIS 8 H HIS 8 19.149 21.817 11.570 56 HA HIS 8 HA HIS 8 17.537 24.260 11.198 57 HB2 HIS 8 2HB HIS 8 19.502 25.562 10.491 58 HB3 HIS 8 3HB HIS 8 19.752 24.986 12.130 59 HD1 HIS 8 HD1 HIS 8 21.392 25.156 8.921 60 HD2 HIS 8 HD2 HIS 8 21.525 22.573 12.170 61 HE1 HIS 8 HE1 HIS 8 23.508 23.840 8.653 62 HE2 HIS 8 HE2 HIS 8 23.436 22.132 10.499 63 H SER 9 H SER 9 17.293 24.813 8.941 64 HA SER 9 HA SER 9 18.256 23.089 6.845 65 HB2 SER 9 2HB SER 9 16.541 21.618 7.910 66 HB3 SER 9 3HB SER 9 15.320 22.867 7.670 67 HG SER 9 HG SER 9 15.050 22.083 5.769 68 H HIS 10 H HIS 10 16.936 23.553 4.776 69 HA HIS 10 HA HIS 10 16.838 26.368 4.273 70 HB2 HIS 10 2HB HIS 10 16.089 23.953 2.573 71 HB3 HIS 10 3HB HIS 10 16.071 25.609 1.973 72 HD1 HIS 10 HD1 HIS 10 18.159 22.794 1.854 73 HD2 HIS 10 HD2 HIS 10 18.850 26.826 2.592 74 HE1 HIS 10 HE1 HIS 10 20.599 23.160 1.397 75 HE2 HIS 10 HE2 HIS 10 21.005 25.589 1.912 76 H MET 11 H MET 11 14.887 27.265 2.984 77 HA MET 11 HA MET 11 12.707 27.669 4.702 78 HB2 MET 11 2HB MET 11 12.815 28.072 1.670 79 HB3 MET 11 3HB MET 11 11.625 28.793 2.750 80 HG2 MET 11 2HG MET 11 13.350 30.128 3.824 81 HG3 MET 11 3HG MET 11 14.603 29.333 2.866 82 HE1 MET 11 3HE MET 11 14.671 32.879 1.271 83 HE2 MET 11 1HE MET 11 15.602 31.597 2.045 84 HE3 MET 11 2HE MET 11 14.424 32.523 2.981 85 H ASN 12 H ASN 12 12.820 25.839 1.674 86 HA ASN 12 HA ASN 12 11.124 23.726 2.843 87 HB2 ASN 12 2HB ASN 12 10.959 24.759 -0.033 88 HB3 ASN 12 3HB ASN 12 10.165 23.303 0.553 89 HD21 ASN 12 1HD2 ASN 12 9.262 24.387 3.068 90 HD22 ASN 12 2HD2 ASN 12 8.017 25.522 2.706 91 HA PRO 13 HA PRO 13 15.246 21.898 1.688 92 HB2 PRO 13 2HB PRO 13 14.664 19.459 2.970 93 HB3 PRO 13 3HB PRO 13 15.451 20.850 3.749 94 HG2 PRO 13 2HG PRO 13 12.562 20.033 3.823 95 HG3 PRO 13 3HG PRO 13 13.594 20.645 5.135 96 HD2 PRO 13 2HD PRO 13 11.817 22.264 3.930 97 HD3 PRO 13 3HD PRO 13 13.415 22.882 4.417 98 H ASP 14 H ASP 14 12.005 20.554 1.492 99 HA ASP 14 HA ASP 14 12.361 19.819 -1.282 100 HB2 ASP 14 2HB ASP 14 13.085 17.723 -0.223 101 HB3 ASP 14 3HB ASP 14 11.690 17.735 0.851 102 H LEU 15 H LEU 15 10.731 21.018 -2.034 103 HA LEU 15 HA LEU 15 8.425 21.847 -0.683 104 HB2 LEU 15 2HB LEU 15 8.868 21.570 -3.687 105 HB3 LEU 15 3HB LEU 15 7.524 22.427 -2.951 106 HG LEU 15 HG LEU 15 9.385 23.901 -1.819 107 HD11 LEU 15 1HD1 LEU 15 11.352 22.630 -2.367 108 HD12 LEU 15 2HD1 LEU 15 11.439 24.204 -3.149 109 HD13 LEU 15 3HD1 LEU 15 11.018 22.774 -4.095 110 HD21 LEU 15 3HD2 LEU 15 7.802 24.776 -3.463 111 HD22 LEU 15 1HD2 LEU 15 8.806 24.170 -4.785 112 HD23 LEU 15 2HD2 LEU 15 9.406 25.455 -3.732 113 H ALA 16 H ALA 16 9.141 18.967 -2.484 114 HA ALA 16 HA ALA 16 6.541 17.967 -2.942 115 HB1 ALA 16 3HB ALA 16 9.188 16.509 -2.771 116 HB2 ALA 16 1HB ALA 16 8.523 17.286 -4.211 117 HB3 ALA 16 2HB ALA 16 7.707 15.891 -3.502 118 H LEU 17 H LEU 17 8.558 17.934 -0.043 119 HA LEU 17 HA LEU 17 7.102 15.766 1.202 120 HB2 LEU 17 2HB LEU 17 8.545 15.929 3.011 121 HB3 LEU 17 3HB LEU 17 9.545 16.511 1.703 122 HG LEU 17 HG LEU 17 8.716 18.920 2.603 123 HD11 LEU 17 1HD1 LEU 17 8.548 17.220 5.108 124 HD12 LEU 17 2HD1 LEU 17 7.202 18.043 4.318 125 HD13 LEU 17 3HD1 LEU 17 8.503 18.987 5.045 126 HD21 LEU 17 3HD2 LEU 17 10.750 19.078 3.975 127 HD22 LEU 17 1HD2 LEU 17 11.060 18.241 2.456 128 HD23 LEU 17 2HD2 LEU 17 10.910 17.320 3.954 129 H MET 18 H MET 18 6.579 19.114 0.689 130 HA MET 18 HA MET 18 4.950 19.609 3.037 131 HB2 MET 18 2HB MET 18 5.291 21.256 0.488 132 HB3 MET 18 3HB MET 18 4.519 21.809 1.977 133 HG2 MET 18 2HG MET 18 7.431 20.984 1.730 134 HG3 MET 18 3HG MET 18 6.847 22.648 1.753 135 HE1 MET 18 3HE MET 18 8.619 22.098 5.292 136 HE2 MET 18 1HE MET 18 8.670 23.021 3.790 137 HE3 MET 18 2HE MET 18 9.090 21.306 3.789 138 H VAL 19 H VAL 19 4.409 18.653 -0.316 139 HA VAL 19 HA VAL 19 1.552 19.071 -0.281 140 HB VAL 19 HB VAL 19 2.875 19.297 -2.361 141 HG11 VAL 19 1HG1 VAL 19 3.272 16.291 -2.188 142 HG12 VAL 19 2HG1 VAL 19 4.521 17.529 -2.037 143 HG13 VAL 19 3HG1 VAL 19 3.690 17.300 -3.574 144 HG21 VAL 19 3HG2 VAL 19 1.350 18.118 -3.900 145 HG22 VAL 19 1HG2 VAL 19 0.461 18.847 -2.559 146 HG23 VAL 19 2HG2 VAL 19 0.770 17.108 -2.571 147 H LYS 20 H LYS 20 3.682 16.373 0.510 148 HA LYS 20 HA LYS 20 1.583 14.377 0.456 149 HB2 LYS 20 2HB LYS 20 3.175 12.810 1.262 150 HB3 LYS 20 3HB LYS 20 4.062 13.865 0.170 151 HG2 LYS 20 2HG LYS 20 5.034 15.063 2.087 152 HG3 LYS 20 3HG LYS 20 4.112 14.060 3.207 153 HD2 LYS 20 2HD LYS 20 6.384 13.213 3.100 154 HD3 LYS 20 3HD LYS 20 5.310 12.039 2.330 155 HE2 LYS 20 2HE LYS 20 5.990 12.900 0.104 156 HE3 LYS 20 3HE LYS 20 7.047 14.073 0.894 157 HZ1 LYS 20 3HZ LYS 20 8.284 12.217 1.843 158 HZ2 LYS 20 1HZ LYS 20 8.293 12.195 0.153 159 HZ3 LYS 20 2HZ LYS 20 7.297 11.128 1.005 160 H ASN 21 H ASN 21 2.697 16.752 2.730 161 HA ASN 21 HA ASN 21 1.731 15.617 5.158 162 HB2 ASN 21 2HB ASN 21 2.150 18.543 4.404 163 HB3 ASN 21 3HB ASN 21 1.806 17.975 6.038 164 HD21 ASN 21 1HD2 ASN 21 4.129 19.417 5.007 165 HD22 ASN 21 2HD2 ASN 21 5.505 18.446 5.387 166 H LYS 22 H LYS 22 0.255 17.848 2.789 167 HA LYS 22 HA LYS 22 -2.320 17.829 4.105 168 HB2 LYS 22 2HB LYS 22 -3.068 19.113 2.118 169 HB3 LYS 22 3HB LYS 22 -1.621 19.792 2.847 170 HG2 LYS 22 2HG LYS 22 -0.267 18.625 1.056 171 HG3 LYS 22 3HG LYS 22 -1.790 18.173 0.283 172 HD2 LYS 22 2HD LYS 22 -0.887 21.022 0.834 173 HD3 LYS 22 3HD LYS 22 -0.723 20.195 -0.712 174 HE2 LYS 22 2HE LYS 22 -3.141 20.073 -0.959 175 HE3 LYS 22 3HE LYS 22 -3.388 20.708 0.666 176 HZ1 LYS 22 3HZ LYS 22 -2.169 22.181 -1.606 177 HZ2 LYS 22 1HZ LYS 22 -2.375 22.787 -0.038 178 HZ3 LYS 22 2HZ LYS 22 -3.727 22.410 -0.987 179 H GLY 23 H GLY 23 -0.757 16.104 1.467 180 HA2 GLY 23 2HA GLY 23 -2.851 14.823 0.206 181 HA3 GLY 23 3HA GLY 23 -1.229 14.179 0.338 182 H ASN 24 H ASN 24 -0.902 13.481 2.886 183 HA ASN 24 HA ASN 24 -2.523 11.158 3.143 184 HB2 ASN 24 2HB ASN 24 -1.087 10.459 4.915 185 HB3 ASN 24 3HB ASN 24 -0.066 11.243 3.727 186 HD21 ASN 24 1HD2 ASN 24 -0.649 13.970 4.597 187 HD22 ASN 24 2HD2 ASN 24 0.128 14.159 6.122 188 H GLU 25 H GLU 25 -2.680 14.345 4.597 189 HA GLU 25 HA GLU 25 -4.213 13.522 6.875 190 HB2 GLU 25 2HB GLU 25 -4.136 15.693 7.631 191 HB3 GLU 25 3HB GLU 25 -2.787 15.766 6.507 192 HG2 GLU 25 2HG GLU 25 -4.250 16.842 4.826 193 HG3 GLU 25 3HG GLU 25 -5.616 16.724 5.929 194 H CYS 26 H CYS 26 -4.961 14.674 3.593 195 HA CYS 26 HA CYS 26 -7.651 15.296 3.740 196 HB2 CYS 26 2HB CYS 26 -6.212 13.789 1.527 197 HB3 CYS 26 3HB CYS 26 -7.814 14.515 1.361 198 HG CYS 26 HG CYS 26 -5.616 16.710 2.488 199 H PHE 27 H PHE 27 -6.224 12.065 3.383 200 HA PHE 27 HA PHE 27 -8.510 10.478 3.196 201 HB2 PHE 27 2HB PHE 27 -6.032 9.863 2.863 202 HB3 PHE 27 3HB PHE 27 -5.913 9.711 4.608 203 HD1 PHE 27 HD2 PHE 27 -7.531 8.304 1.562 204 HD2 PHE 27 HD1 PHE 27 -6.691 7.738 5.701 205 HE1 PHE 27 HE2 PHE 27 -8.264 5.955 1.394 206 HE2 PHE 27 HE1 PHE 27 -7.417 5.394 5.538 207 HZ PHE 27 HZ PHE 27 -8.203 4.506 3.388 208 H GLN 28 H GLN 28 -6.667 11.466 6.063 209 HA GLN 28 HA GLN 28 -8.291 10.373 8.105 210 HB2 GLN 28 2HB GLN 28 -5.985 11.025 8.564 211 HB3 GLN 28 3HB GLN 28 -6.303 12.681 8.087 212 HG2 GLN 28 2HG GLN 28 -6.095 12.595 10.486 213 HG3 GLN 28 3HG GLN 28 -7.774 12.959 10.085 214 HE21 GLN 28 1HE2 GLN 28 -9.375 11.428 10.594 215 HE22 GLN 28 2HE2 GLN 28 -9.077 10.057 11.595 216 H LYS 29 H LYS 29 -8.679 13.280 6.115 217 HA LYS 29 HA LYS 29 -10.504 14.608 7.954 218 HB2 LYS 29 2HB LYS 29 -10.084 15.240 5.003 219 HB3 LYS 29 3HB LYS 29 -10.828 16.281 6.215 220 HG2 LYS 29 2HG LYS 29 -7.914 15.478 6.058 221 HG3 LYS 29 3HG LYS 29 -8.584 17.054 5.662 222 HD2 LYS 29 2HD LYS 29 -8.592 15.789 8.440 223 HD3 LYS 29 3HD LYS 29 -7.429 16.994 7.878 224 HE2 LYS 29 2HE LYS 29 -9.284 18.597 7.544 225 HE3 LYS 29 3HE LYS 29 -10.422 17.394 8.150 226 HZ1 LYS 29 3HZ LYS 29 -9.325 17.449 10.273 227 HZ2 LYS 29 1HZ LYS 29 -9.800 19.011 9.831 228 HZ3 LYS 29 2HZ LYS 29 -8.178 18.553 9.701 229 H GLY 30 H GLY 30 -10.729 11.970 5.894 230 HA2 GLY 30 2HA GLY 30 -12.635 10.635 5.580 231 HA3 GLY 30 3HA GLY 30 -13.677 12.027 5.846 232 H ASP 31 H ASP 31 -11.232 12.994 3.858 233 HA ASP 31 HA ASP 31 -12.832 12.728 1.421 234 HB2 ASP 31 2HB ASP 31 -10.306 14.329 2.049 235 HB3 ASP 31 3HB ASP 31 -11.123 14.331 0.495 236 H TYR 32 H TYR 32 -12.481 10.423 1.253 237 HA TYR 32 HA TYR 32 -9.932 9.226 0.979 238 HB2 TYR 32 2HB TYR 32 -12.693 8.273 0.173 239 HB3 TYR 32 3HB TYR 32 -11.251 7.286 -0.030 240 HD1 TYR 32 HD1 TYR 32 -12.547 9.417 2.826 241 HD2 TYR 32 HD2 TYR 32 -11.253 5.557 1.546 242 HE1 TYR 32 HE1 TYR 32 -12.873 8.555 5.098 243 HE2 TYR 32 HE2 TYR 32 -11.578 4.695 3.824 244 HH TYR 32 HH TYR 32 -13.314 6.345 6.182 245 HA PRO 33 HA PRO 33 -10.574 9.524 -3.879 246 HB2 PRO 33 2HB PRO 33 -12.231 11.543 -4.823 247 HB3 PRO 33 3HB PRO 33 -12.763 9.864 -4.593 248 HG2 PRO 33 2HG PRO 33 -13.148 12.226 -2.785 249 HG3 PRO 33 3HG PRO 33 -14.308 10.953 -3.237 250 HD2 PRO 33 2HD PRO 33 -13.017 10.901 -0.860 251 HD3 PRO 33 3HD PRO 33 -13.404 9.406 -1.733 252 H GLN 34 H GLN 34 -11.131 12.692 -2.220 253 HA GLN 34 HA GLN 34 -9.306 14.212 -3.743 254 HB2 GLN 34 2HB GLN 34 -10.134 14.648 -0.853 255 HB3 GLN 34 3HB GLN 34 -9.274 15.825 -1.828 256 HG2 GLN 34 2HG GLN 34 -12.080 14.803 -2.349 257 HG3 GLN 34 3HG GLN 34 -11.663 16.351 -1.619 258 HE21 GLN 34 1HE2 GLN 34 -12.027 14.596 -4.559 259 HE22 GLN 34 2HE2 GLN 34 -11.688 15.907 -5.633 260 H ALA 35 H ALA 35 -8.807 12.158 -0.867 261 HA ALA 35 HA ALA 35 -6.143 12.788 -0.260 262 HB1 ALA 35 3HB ALA 35 -7.506 11.327 1.194 263 HB2 ALA 35 1HB ALA 35 -5.985 10.540 0.765 264 HB3 ALA 35 2HB ALA 35 -7.486 10.064 -0.035 265 H MET 36 H MET 36 -7.555 10.642 -2.696 266 HA MET 36 HA MET 36 -5.084 9.378 -3.447 267 HB2 MET 36 2HB MET 36 -7.243 8.225 -3.689 268 HB3 MET 36 3HB MET 36 -7.832 9.473 -4.773 269 HG2 MET 36 2HG MET 36 -5.476 7.701 -5.443 270 HG3 MET 36 3HG MET 36 -7.138 7.279 -5.844 271 HE1 MET 36 3HE MET 36 -8.277 10.282 -6.581 272 HE2 MET 36 1HE MET 36 -8.684 8.805 -7.459 273 HE3 MET 36 2HE MET 36 -8.080 10.214 -8.330 274 H LYS 37 H LYS 37 -7.023 12.103 -4.596 275 HA LYS 37 HA LYS 37 -5.548 12.720 -6.960 276 HB2 LYS 37 2HB LYS 37 -7.250 14.567 -5.223 277 HB3 LYS 37 3HB LYS 37 -6.713 14.911 -6.870 278 HG2 LYS 37 2HG LYS 37 -8.056 12.993 -7.689 279 HG3 LYS 37 3HG LYS 37 -8.608 12.696 -6.032 280 HD2 LYS 37 2HD LYS 37 -9.691 14.909 -5.976 281 HD3 LYS 37 3HD LYS 37 -9.085 15.268 -7.597 282 HE2 LYS 37 2HE LYS 37 -11.023 13.029 -6.917 283 HE3 LYS 37 3HE LYS 37 -11.479 14.597 -7.584 284 HZ1 LYS 37 3HZ LYS 37 -9.729 12.599 -8.919 285 HZ2 LYS 37 1HZ LYS 37 -10.173 14.100 -9.558 286 HZ3 LYS 37 2HZ LYS 37 -11.346 12.909 -9.297 287 H HIS 38 H HIS 38 -5.341 13.725 -3.600 288 HA HIS 38 HA HIS 38 -3.334 15.755 -3.998 289 HB2 HIS 38 2HB HIS 38 -4.583 14.599 -1.486 290 HB3 HIS 38 3HB HIS 38 -3.289 15.793 -1.430 291 HD1 HIS 38 HD1 HIS 38 -4.938 17.447 -0.244 292 HD2 HIS 38 HD2 HIS 38 -6.090 16.378 -4.091 293 HE1 HIS 38 HE1 HIS 38 -6.740 19.062 -0.889 294 HE2 HIS 38 HE2 HIS 38 -7.329 18.476 -3.258 295 H TYR 39 H TYR 39 -3.334 12.360 -3.321 296 HA TYR 39 HA TYR 39 -0.511 12.152 -2.811 297 HB2 TYR 39 2HB TYR 39 -2.667 10.170 -3.570 298 HB3 TYR 39 3HB TYR 39 -0.978 9.691 -3.534 299 HD1 TYR 39 HD2 TYR 39 -0.025 11.104 -1.076 300 HD2 TYR 39 HD1 TYR 39 -3.630 8.933 -1.805 301 HE1 TYR 39 HE2 TYR 39 -0.138 10.508 1.293 302 HE2 TYR 39 HE1 TYR 39 -3.739 8.327 0.567 303 HH TYR 39 HH TYR 39 -1.595 9.623 2.933 304 H THR 40 H THR 40 -2.621 12.037 -5.695 305 HA THR 40 HA THR 40 -0.701 11.052 -7.538 306 HB THR 40 HB THR 40 -3.153 12.769 -8.132 307 HG1 THR 40 HG1 THR 40 -4.199 11.025 -7.585 308 HG21 THR 40 3HG2 THR 40 -1.603 12.631 -10.066 309 HG22 THR 40 1HG2 THR 40 -3.088 11.726 -10.368 310 HG23 THR 40 2HG2 THR 40 -1.607 10.871 -9.939 311 H GLU 41 H GLU 41 -1.697 14.384 -6.705 312 HA GLU 41 HA GLU 41 0.092 15.730 -8.456 313 HB2 GLU 41 2HB GLU 41 -0.431 17.750 -7.182 314 HB3 GLU 41 3HB GLU 41 -1.904 16.828 -7.461 315 HG2 GLU 41 2HG GLU 41 -1.824 15.970 -5.169 316 HG3 GLU 41 3HG GLU 41 -0.325 16.844 -4.875 317 H ALA 42 H ALA 42 0.374 14.396 -5.210 318 HA ALA 42 HA ALA 42 2.904 15.509 -4.548 319 HB1 ALA 42 3HB ALA 42 1.374 14.671 -2.820 320 HB2 ALA 42 1HB ALA 42 2.938 13.860 -2.719 321 HB3 ALA 42 2HB ALA 42 1.553 13.027 -3.432 322 H ILE 43 H ILE 43 1.926 12.623 -6.339 323 HA ILE 43 HA ILE 43 4.461 11.356 -6.517 324 HB ILE 43 HB ILE 43 1.802 11.039 -7.850 325 HG12 ILE 43 2HG1 ILE 43 2.295 8.600 -7.543 326 HG13 ILE 43 3HG1 ILE 43 3.908 9.014 -6.980 327 HG21 ILE 43 1HG2 ILE 43 3.068 11.295 -9.920 328 HG22 ILE 43 2HG2 ILE 43 2.558 9.618 -9.724 329 HG23 ILE 43 3HG2 ILE 43 4.231 10.076 -9.390 330 HD11 ILE 43 3HD1 ILE 43 2.438 8.446 -5.168 331 HD12 ILE 43 1HD1 ILE 43 1.317 9.722 -5.639 332 HD13 ILE 43 2HD1 ILE 43 2.932 10.136 -5.052 333 H LYS 44 H LYS 44 2.917 13.948 -8.334 334 HA LYS 44 HA LYS 44 4.763 14.138 -10.500 335 HB2 LYS 44 2HB LYS 44 3.188 16.483 -9.347 336 HB3 LYS 44 3HB LYS 44 3.747 16.275 -11.005 337 HG2 LYS 44 2HG LYS 44 1.555 14.687 -9.630 338 HG3 LYS 44 3HG LYS 44 1.317 15.977 -10.811 339 HD2 LYS 44 2HD LYS 44 2.460 14.587 -12.533 340 HD3 LYS 44 3HD LYS 44 2.671 13.299 -11.341 341 HE2 LYS 44 2HE LYS 44 0.208 13.107 -11.127 342 HE3 LYS 44 3HE LYS 44 0.008 14.381 -12.334 343 HZ1 LYS 44 3HZ LYS 44 1.153 12.959 -13.935 344 HZ2 LYS 44 1HZ LYS 44 -0.241 12.225 -13.328 345 HZ3 LYS 44 2HZ LYS 44 1.274 11.734 -12.772 346 H ARG 45 H ARG 45 4.646 15.427 -7.254 347 HA ARG 45 HA ARG 45 6.789 17.332 -7.551 348 HB2 ARG 45 2HB ARG 45 5.361 16.289 -5.065 349 HB3 ARG 45 3HB ARG 45 6.445 17.676 -5.110 350 HG2 ARG 45 2HG ARG 45 3.806 17.485 -6.599 351 HG3 ARG 45 3HG ARG 45 4.048 18.319 -5.063 352 HD2 ARG 45 2HD ARG 45 5.557 19.908 -6.114 353 HD3 ARG 45 3HD ARG 45 5.486 19.025 -7.643 354 HE ARG 45 HE ARG 45 2.869 19.696 -6.971 355 HH11 ARG 45 1HH1 ARG 45 5.804 21.448 -7.791 356 HH12 ARG 45 2HH1 ARG 45 4.955 22.794 -8.472 357 HH21 ARG 45 1HH2 ARG 45 1.777 21.453 -7.869 358 HH22 ARG 45 2HH2 ARG 45 2.665 22.796 -8.516 359 H ASN 46 H ASN 46 6.413 14.225 -5.783 360 HA ASN 46 HA ASN 46 9.321 13.813 -5.978 361 HB2 ASN 46 2HB ASN 46 9.147 12.391 -3.832 362 HB3 ASN 46 3HB ASN 46 9.148 14.135 -3.669 363 HD21 ASN 46 1HD2 ASN 46 6.317 12.051 -4.417 364 HD22 ASN 46 2HD2 ASN 46 5.479 12.447 -2.978 365 HA PRO 47 HA PRO 47 7.684 10.095 -8.145 366 HB2 PRO 47 2HB PRO 47 9.655 10.066 -10.064 367 HB3 PRO 47 3HB PRO 47 8.170 11.029 -10.237 368 HG2 PRO 47 2HG PRO 47 10.896 11.929 -9.315 369 HG3 PRO 47 3HG PRO 47 9.787 12.699 -10.475 370 HD2 PRO 47 2HD PRO 47 9.943 13.541 -7.898 371 HD3 PRO 47 3HD PRO 47 8.416 13.584 -8.805 372 H LYS 48 H LYS 48 10.473 11.120 -6.467 373 HA LYS 48 HA LYS 48 12.034 8.706 -6.588 374 HB2 LYS 48 2HB LYS 48 12.230 10.966 -4.543 375 HB3 LYS 48 3HB LYS 48 13.446 9.741 -4.863 376 HG2 LYS 48 2HG LYS 48 14.355 11.563 -5.962 377 HG3 LYS 48 3HG LYS 48 13.479 10.793 -7.285 378 HD2 LYS 48 2HD LYS 48 11.662 12.394 -7.102 379 HD3 LYS 48 3HD LYS 48 12.332 13.062 -5.611 380 HE2 LYS 48 2HE LYS 48 12.798 14.584 -7.440 381 HE3 LYS 48 3HE LYS 48 14.312 13.860 -6.903 382 HZ1 LYS 48 3HZ LYS 48 14.197 13.941 -9.296 383 HZ2 LYS 48 1HZ LYS 48 12.753 13.064 -9.311 384 HZ3 LYS 48 2HZ LYS 48 14.185 12.329 -8.791 385 H ASP 49 H ASP 49 9.471 9.991 -4.583 386 HA ASP 49 HA ASP 49 10.074 8.409 -2.239 387 HB2 ASP 49 2HB ASP 49 9.100 10.808 -2.278 388 HB3 ASP 49 3HB ASP 49 7.564 10.064 -2.695 389 H ALA 50 H ALA 50 9.698 6.305 -2.439 390 HA ALA 50 HA ALA 50 7.935 5.124 -4.300 391 HB1 ALA 50 3HB ALA 50 10.091 4.153 -3.672 392 HB2 ALA 50 1HB ALA 50 8.776 3.000 -3.426 393 HB3 ALA 50 2HB ALA 50 9.490 3.839 -2.044 394 H LYS 51 H LYS 51 7.675 5.475 -0.708 395 HA LYS 51 HA LYS 51 5.450 3.684 -0.523 396 HB2 LYS 51 2HB LYS 51 5.345 4.048 1.753 397 HB3 LYS 51 3HB LYS 51 7.023 4.442 1.436 398 HG2 LYS 51 2HG LYS 51 4.882 6.592 1.619 399 HG3 LYS 51 3HG LYS 51 5.678 5.949 3.054 400 HD2 LYS 51 2HD LYS 51 7.106 7.275 0.719 401 HD3 LYS 51 3HD LYS 51 6.662 8.081 2.225 402 HE2 LYS 51 2HE LYS 51 8.111 6.495 3.477 403 HE3 LYS 51 3HE LYS 51 8.596 5.753 1.948 404 HZ1 LYS 51 3HZ LYS 51 9.485 7.911 1.261 405 HZ2 LYS 51 1HZ LYS 51 10.225 7.345 2.674 406 HZ3 LYS 51 2HZ LYS 51 9.065 8.568 2.762 407 H LEU 52 H LEU 52 5.692 6.967 -1.467 408 HA LEU 52 HA LEU 52 3.125 7.928 -0.842 409 HB2 LEU 52 2HB LEU 52 5.454 8.959 -1.997 410 HB3 LEU 52 3HB LEU 52 4.333 9.020 -3.333 411 HG LEU 52 HG LEU 52 4.439 11.158 -2.081 412 HD11 LEU 52 1HD1 LEU 52 1.741 9.803 -1.836 413 HD12 LEU 52 2HD1 LEU 52 2.364 10.675 -3.239 414 HD13 LEU 52 3HD1 LEU 52 2.040 11.542 -1.742 415 HD21 LEU 52 3HD2 LEU 52 3.344 9.587 0.282 416 HD22 LEU 52 1HD2 LEU 52 3.561 11.338 0.205 417 HD23 LEU 52 2HD2 LEU 52 4.964 10.276 0.145 418 H TYR 53 H TYR 53 4.270 5.867 -3.438 419 HA TYR 53 HA TYR 53 1.891 5.921 -5.061 420 HB2 TYR 53 2HB TYR 53 4.139 3.863 -4.925 421 HB3 TYR 53 3HB TYR 53 2.895 3.921 -6.173 422 HD1 TYR 53 HD2 TYR 53 5.852 5.720 -4.792 423 HD2 TYR 53 HD1 TYR 53 3.080 5.458 -8.020 424 HE1 TYR 53 HE2 TYR 53 7.252 7.235 -6.105 425 HE2 TYR 53 HE1 TYR 53 4.485 6.976 -9.340 426 HH TYR 53 HH TYR 53 7.664 7.740 -8.474 427 H SER 54 H SER 54 3.227 3.667 -2.610 428 HA SER 54 HA SER 54 1.091 1.793 -2.714 429 HB2 SER 54 2HB SER 54 2.066 0.887 -0.612 430 HB3 SER 54 3HB SER 54 3.286 1.148 -1.855 431 HG SER 54 HG SER 54 2.798 3.194 -0.000 432 H ASN 55 H ASN 55 1.439 4.843 -1.104 433 HA ASN 55 HA ASN 55 -0.714 4.630 0.750 434 HB2 ASN 55 2HB ASN 55 0.758 6.968 -0.511 435 HB3 ASN 55 3HB ASN 55 -0.647 7.238 0.511 436 HD21 ASN 55 1HD2 ASN 55 0.625 8.374 1.985 437 HD22 ASN 55 2HD2 ASN 55 1.724 7.583 3.054 438 H ARG 56 H ARG 56 -0.510 5.576 -2.683 439 HA ARG 56 HA ARG 56 -3.259 6.299 -3.005 440 HB2 ARG 56 2HB ARG 56 -1.346 5.238 -5.136 441 HB3 ARG 56 3HB ARG 56 -2.885 6.054 -5.433 442 HG2 ARG 56 2HG ARG 56 -1.925 8.080 -4.294 443 HG3 ARG 56 3HG ARG 56 -0.365 7.250 -4.245 444 HD2 ARG 56 2HD ARG 56 -1.949 8.005 -6.726 445 HD3 ARG 56 3HD ARG 56 -0.465 8.771 -6.149 446 HE ARG 56 HE ARG 56 -0.027 5.998 -6.546 447 HH11 ARG 56 1HH1 ARG 56 -0.541 8.910 -8.463 448 HH12 ARG 56 2HH1 ARG 56 0.352 8.308 -9.815 449 HH21 ARG 56 1HH2 ARG 56 1.164 5.275 -8.287 450 HH22 ARG 56 2HH2 ARG 56 1.321 6.243 -9.716 451 H ALA 57 H ALA 57 -1.418 3.281 -3.420 452 HA ALA 57 HA ALA 57 -3.479 1.587 -4.297 453 HB1 ALA 57 3HB ALA 57 -2.046 -0.259 -3.517 454 HB2 ALA 57 1HB ALA 57 -1.056 0.883 -2.603 455 HB3 ALA 57 2HB ALA 57 -1.099 0.965 -4.366 456 H ALA 58 H ALA 58 -2.509 2.596 -1.054 457 HA ALA 58 HA ALA 58 -4.285 0.994 0.462 458 HB1 ALA 58 3HB ALA 58 -2.304 2.096 1.426 459 HB2 ALA 58 1HB ALA 58 -3.770 2.534 2.309 460 HB3 ALA 58 2HB ALA 58 -3.047 3.675 1.171 461 H CYS 59 H CYS 59 -4.672 4.138 -1.138 462 HA CYS 59 HA CYS 59 -7.281 4.697 -0.095 463 HB2 CYS 59 2HB CYS 59 -5.893 5.742 -2.592 464 HB3 CYS 59 3HB CYS 59 -7.391 6.387 -1.917 465 HG CYS 59 HG CYS 59 -4.707 6.278 0.139 466 H TYR 60 H TYR 60 -6.062 3.178 -3.084 467 HA TYR 60 HA TYR 60 -8.419 3.033 -4.561 468 HB2 TYR 60 2HB TYR 60 -5.957 1.253 -4.648 469 HB3 TYR 60 3HB TYR 60 -7.263 1.136 -5.818 470 HD1 TYR 60 HD1 TYR 60 -7.810 4.114 -6.209 471 HD2 TYR 60 HD2 TYR 60 -4.155 1.892 -6.062 472 HE1 TYR 60 HE1 TYR 60 -6.729 5.767 -7.667 473 HE2 TYR 60 HE2 TYR 60 -3.087 3.547 -7.514 474 HH TYR 60 HH TYR 60 -3.664 5.230 -9.120 475 H THR 61 H THR 61 -7.093 0.751 -2.183 476 HA THR 61 HA THR 61 -8.919 -1.353 -2.471 477 HB THR 61 HB THR 61 -8.401 -1.910 -0.077 478 HG1 THR 61 HG1 THR 61 -6.588 0.232 0.064 479 HG21 THR 61 3HG2 THR 61 -6.819 -2.655 -1.819 480 HG22 THR 61 1HG2 THR 61 -5.957 -2.228 -0.339 481 HG23 THR 61 2HG2 THR 61 -5.958 -1.118 -1.711 482 H LYS 62 H LYS 62 -9.141 1.662 -0.569 483 HA LYS 62 HA LYS 62 -11.638 1.090 0.730 484 HB2 LYS 62 2HB LYS 62 -10.285 3.776 0.262 485 HB3 LYS 62 3HB LYS 62 -11.528 3.437 1.462 486 HG2 LYS 62 2HG LYS 62 -8.794 2.117 1.506 487 HG3 LYS 62 3HG LYS 62 -9.118 3.665 2.273 488 HD2 LYS 62 2HD LYS 62 -9.299 2.134 4.030 489 HD3 LYS 62 3HD LYS 62 -10.974 2.442 3.586 490 HE2 LYS 62 2HE LYS 62 -10.569 0.056 4.042 491 HE3 LYS 62 3HE LYS 62 -11.040 0.300 2.362 492 HZ1 LYS 62 3HZ LYS 62 -8.665 0.194 1.767 493 HZ2 LYS 62 1HZ LYS 62 -9.220 -1.232 2.485 494 HZ3 LYS 62 2HZ LYS 62 -8.286 -0.145 3.379 495 H LEU 63 H LEU 63 -10.668 2.567 -2.261 496 HA LEU 63 HA LEU 63 -13.311 3.562 -2.964 497 HB2 LEU 63 2HB LEU 63 -10.757 3.409 -4.620 498 HB3 LEU 63 3HB LEU 63 -12.196 4.344 -5.014 499 HG LEU 63 HG LEU 63 -10.339 4.865 -2.649 500 HD11 LEU 63 1HD1 LEU 63 -10.658 6.436 -5.217 501 HD12 LEU 63 2HD1 LEU 63 -9.266 5.455 -4.746 502 HD13 LEU 63 3HD1 LEU 63 -9.670 6.903 -3.827 503 HD21 LEU 63 3HD2 LEU 63 -11.641 6.935 -2.316 504 HD22 LEU 63 1HD2 LEU 63 -12.609 5.483 -2.070 505 HD23 LEU 63 2HD2 LEU 63 -12.781 6.417 -3.563 506 H LEU 64 H LEU 64 -11.991 0.523 -2.840 507 HA LEU 64 HA LEU 64 -12.487 -1.500 -3.653 508 HB2 LEU 64 2HB LEU 64 -14.905 -0.043 -4.762 509 HB3 LEU 64 3HB LEU 64 -14.668 -1.754 -5.046 510 HG LEU 64 HG LEU 64 -16.232 -1.496 -3.225 511 HD11 LEU 64 1HD1 LEU 64 -14.686 -3.370 -3.021 512 HD12 LEU 64 2HD1 LEU 64 -15.183 -2.765 -1.445 513 HD13 LEU 64 3HD1 LEU 64 -13.580 -2.372 -2.069 514 HD21 LEU 64 3HD2 LEU 64 -15.746 -0.344 -1.121 515 HD22 LEU 64 1HD2 LEU 64 -15.658 0.772 -2.484 516 HD23 LEU 64 2HD2 LEU 64 -14.173 0.169 -1.745 517 H GLU 65 H GLU 65 -11.046 0.639 -5.327 518 HA GLU 65 HA GLU 65 -10.965 -0.605 -7.980 519 HB2 GLU 65 2HB GLU 65 -9.417 1.792 -6.882 520 HB3 GLU 65 3HB GLU 65 -9.529 1.304 -8.575 521 HG2 GLU 65 2HG GLU 65 -11.960 1.789 -8.522 522 HG3 GLU 65 3HG GLU 65 -11.803 2.332 -6.851 523 H PHE 66 H PHE 66 -10.162 -2.394 -6.086 524 HA PHE 66 HA PHE 66 -7.485 -2.557 -5.326 525 HB2 PHE 66 2HB PHE 66 -9.396 -4.790 -6.108 526 HB3 PHE 66 3HB PHE 66 -7.824 -5.070 -5.376 527 HD1 PHE 66 HD2 PHE 66 -11.182 -3.543 -4.758 528 HD2 PHE 66 HD1 PHE 66 -7.545 -4.979 -3.017 529 HE1 PHE 66 HE2 PHE 66 -12.195 -3.447 -2.524 530 HE2 PHE 66 HE1 PHE 66 -8.580 -4.883 -0.796 531 HZ PHE 66 HZ PHE 66 -10.906 -4.121 -0.545 532 H GLN 67 H GLN 67 -8.942 -3.060 -8.484 533 HA GLN 67 HA GLN 67 -6.958 -4.419 -9.894 534 HB2 GLN 67 2HB GLN 67 -8.689 -2.109 -10.894 535 HB3 GLN 67 3HB GLN 67 -7.846 -3.269 -11.917 536 HG2 GLN 67 2HG GLN 67 -10.166 -3.846 -10.045 537 HG3 GLN 67 3HG GLN 67 -10.221 -3.792 -11.806 538 HE21 GLN 67 1HE2 GLN 67 -9.213 -5.645 -9.020 539 HE22 GLN 67 2HE2 GLN 67 -8.898 -7.119 -9.864 540 H LEU 68 H LEU 68 -7.278 -0.956 -9.148 541 HA LEU 68 HA LEU 68 -4.865 -0.176 -10.509 542 HB2 LEU 68 2HB LEU 68 -6.472 1.397 -8.459 543 HB3 LEU 68 3HB LEU 68 -5.263 2.044 -9.559 544 HG LEU 68 HG LEU 68 -8.056 1.053 -10.221 545 HD11 LEU 68 1HD1 LEU 68 -8.358 3.318 -11.123 546 HD12 LEU 68 2HD1 LEU 68 -6.714 3.740 -10.624 547 HD13 LEU 68 3HD1 LEU 68 -7.933 3.337 -9.412 548 HD21 LEU 68 3HD2 LEU 68 -7.573 1.477 -12.605 549 HD22 LEU 68 1HD2 LEU 68 -6.620 0.145 -11.957 550 HD23 LEU 68 2HD2 LEU 68 -5.867 1.724 -12.218 551 H ALA 69 H ALA 69 -5.812 -0.999 -7.205 552 HA ALA 69 HA ALA 69 -3.528 -0.111 -5.805 553 HB1 ALA 69 3HB ALA 69 -5.408 -2.385 -5.081 554 HB2 ALA 69 1HB ALA 69 -5.649 -0.682 -4.683 555 HB3 ALA 69 2HB ALA 69 -4.296 -1.567 -3.979 556 H LEU 70 H LEU 70 -4.231 -3.160 -7.464 557 HA LEU 70 HA LEU 70 -1.937 -4.595 -6.609 558 HB2 LEU 70 2HB LEU 70 -3.697 -4.980 -9.061 559 HB3 LEU 70 3HB LEU 70 -2.432 -6.102 -8.579 560 HG LEU 70 HG LEU 70 -4.928 -5.464 -6.959 561 HD11 LEU 70 1HD1 LEU 70 -5.479 -6.741 -8.968 562 HD12 LEU 70 2HD1 LEU 70 -5.679 -7.730 -7.524 563 HD13 LEU 70 3HD1 LEU 70 -4.262 -7.954 -8.555 564 HD21 LEU 70 3HD2 LEU 70 -2.758 -7.522 -6.426 565 HD22 LEU 70 1HD2 LEU 70 -4.255 -7.333 -5.504 566 HD23 LEU 70 2HD2 LEU 70 -3.051 -6.049 -5.495 567 H LYS 71 H LYS 71 -2.681 -2.974 -9.732 568 HA LYS 71 HA LYS 71 -0.131 -3.544 -10.853 569 HB2 LYS 71 2HB LYS 71 -0.808 -2.113 -12.733 570 HB3 LYS 71 3HB LYS 71 -2.082 -3.241 -12.280 571 HG2 LYS 71 2HG LYS 71 -3.307 -1.450 -11.141 572 HG3 LYS 71 3HG LYS 71 -2.012 -0.305 -11.494 573 HD2 LYS 71 2HD LYS 71 -3.752 -1.713 -13.563 574 HD3 LYS 71 3HD LYS 71 -3.931 -0.038 -13.036 575 HE2 LYS 71 2HE LYS 71 -1.720 0.505 -13.970 576 HE3 LYS 71 3HE LYS 71 -1.491 -1.178 -14.450 577 HZ1 LYS 71 3HZ LYS 71 -3.688 0.554 -15.440 578 HZ2 LYS 71 1HZ LYS 71 -3.303 -1.002 -15.972 579 HZ3 LYS 71 2HZ LYS 71 -2.241 0.280 -16.273 580 H ASP 72 H ASP 72 -1.339 -0.685 -9.112 581 HA ASP 72 HA ASP 72 0.824 1.068 -9.711 582 HB2 ASP 72 2HB ASP 72 -1.408 1.826 -8.771 583 HB3 ASP 72 3HB ASP 72 -0.953 1.128 -7.222 584 H CYS 73 H CYS 73 0.305 -1.386 -7.241 585 HA CYS 73 HA CYS 73 2.777 -0.874 -5.825 586 HB2 CYS 73 2HB CYS 73 0.824 -1.773 -4.646 587 HB3 CYS 73 3HB CYS 73 0.821 -3.198 -5.679 588 HG CYS 73 HG CYS 73 3.624 -3.667 -4.684 589 H GLU 74 H GLU 74 1.707 -2.949 -8.475 590 HA GLU 74 HA GLU 74 3.985 -4.677 -8.563 591 HB2 GLU 74 2HB GLU 74 1.889 -3.978 -10.653 592 HB3 GLU 74 3HB GLU 74 3.199 -5.110 -10.972 593 HG2 GLU 74 2HG GLU 74 1.095 -5.454 -8.813 594 HG3 GLU 74 3HG GLU 74 1.049 -6.214 -10.402 595 H GLU 75 H GLU 75 3.288 -1.484 -9.940 596 HA GLU 75 HA GLU 75 5.821 -1.453 -11.399 597 HB2 GLU 75 2HB GLU 75 5.157 0.790 -12.165 598 HB3 GLU 75 3HB GLU 75 3.909 -0.410 -12.481 599 HG2 GLU 75 2HG GLU 75 2.725 0.427 -10.408 600 HG3 GLU 75 3HG GLU 75 3.900 1.741 -10.345 601 H CYS 76 H CYS 76 4.486 -0.147 -8.364 602 HA CYS 76 HA CYS 76 6.520 1.681 -7.691 603 HB2 CYS 76 2HB CYS 76 4.365 1.548 -6.474 604 HB3 CYS 76 3HB CYS 76 4.833 -0.010 -5.803 605 HG CYS 76 HG CYS 76 7.263 1.527 -4.756 606 H ILE 77 H ILE 77 6.490 -1.803 -7.561 607 HA ILE 77 HA ILE 77 8.592 -2.313 -5.759 608 HB ILE 77 HB ILE 77 6.798 -3.904 -6.825 609 HG12 ILE 77 2HG1 ILE 77 8.619 -4.602 -5.157 610 HG13 ILE 77 3HG1 ILE 77 7.949 -5.876 -6.159 611 HG21 ILE 77 1HG2 ILE 77 7.532 -5.283 -8.716 612 HG22 ILE 77 2HG2 ILE 77 8.993 -4.307 -8.879 613 HG23 ILE 77 3HG2 ILE 77 7.413 -3.581 -9.173 614 HD11 ILE 77 3HD1 ILE 77 10.331 -6.129 -5.859 615 HD12 ILE 77 1HD1 ILE 77 10.620 -4.537 -6.551 616 HD13 ILE 77 2HD1 ILE 77 9.962 -5.832 -7.557 617 H GLN 78 H GLN 78 8.599 -1.194 -9.088 618 HA GLN 78 HA GLN 78 11.291 -1.816 -9.802 619 HB2 GLN 78 2HB GLN 78 9.501 0.433 -10.821 620 HB3 GLN 78 3HB GLN 78 10.996 -0.103 -11.586 621 HG2 GLN 78 2HG GLN 78 8.501 -1.796 -11.243 622 HG3 GLN 78 3HG GLN 78 8.960 -0.948 -12.719 623 HE21 GLN 78 1HE2 GLN 78 8.538 -3.811 -12.270 624 HE22 GLN 78 2HE2 GLN 78 10.006 -4.592 -12.731 625 H LEU 79 H LEU 79 9.830 0.739 -7.916 626 HA LEU 79 HA LEU 79 12.289 2.326 -7.748 627 HB2 LEU 79 2HB LEU 79 9.542 2.750 -6.505 628 HB3 LEU 79 3HB LEU 79 10.891 3.874 -6.373 629 HG LEU 79 HG LEU 79 9.413 3.131 -8.930 630 HD11 LEU 79 1HD1 LEU 79 8.649 5.459 -8.918 631 HD12 LEU 79 2HD1 LEU 79 9.445 5.722 -7.363 632 HD13 LEU 79 3HD1 LEU 79 8.102 4.582 -7.490 633 HD21 LEU 79 3HD2 LEU 79 11.741 5.047 -8.557 634 HD22 LEU 79 1HD2 LEU 79 10.797 4.841 -10.038 635 HD23 LEU 79 2HD2 LEU 79 11.773 3.509 -9.428 636 H GLU 80 H GLU 80 10.313 0.134 -5.802 637 HA GLU 80 HA GLU 80 12.411 -0.007 -3.762 638 HB2 GLU 80 2HB GLU 80 10.935 1.810 -2.997 639 HB3 GLU 80 3HB GLU 80 9.542 0.746 -3.086 640 HG2 GLU 80 2HG GLU 80 10.203 0.966 -0.781 641 HG3 GLU 80 3HG GLU 80 10.541 -0.679 -1.308 642 HA PRO 81 HA PRO 81 10.697 -4.251 -4.160 643 HB2 PRO 81 2HB PRO 81 12.972 -5.594 -3.475 644 HB3 PRO 81 3HB PRO 81 12.749 -4.891 -5.093 645 HG2 PRO 81 2HG PRO 81 14.295 -3.784 -2.758 646 HG3 PRO 81 3HG PRO 81 14.759 -3.872 -4.475 647 HD2 PRO 81 2HD PRO 81 13.740 -1.590 -3.329 648 HD3 PRO 81 3HD PRO 81 13.529 -1.987 -5.047 649 H THR 82 H THR 82 11.951 -2.457 -1.460 650 HA THR 82 HA THR 82 11.205 -4.598 0.451 651 HB THR 82 HB THR 82 12.800 -3.594 2.071 652 HG1 THR 82 HG1 THR 82 13.663 -1.943 -0.078 653 HG21 THR 82 3HG2 THR 82 14.101 -4.223 -0.604 654 HG22 THR 82 1HG2 THR 82 13.593 -5.425 0.587 655 HG23 THR 82 2HG2 THR 82 14.889 -4.290 0.971 656 H PHE 83 H PHE 83 9.436 -2.216 -0.671 657 HA PHE 83 HA PHE 83 8.868 -0.637 1.635 658 HB2 PHE 83 2HB PHE 83 6.631 -0.091 0.551 659 HB3 PHE 83 3HB PHE 83 8.063 0.327 -0.365 660 HD1 PHE 83 HD2 PHE 83 5.678 -2.612 -0.133 661 HD2 PHE 83 HD1 PHE 83 7.903 0.006 -2.664 662 HE1 PHE 83 HE2 PHE 83 4.729 -3.708 -2.115 663 HE2 PHE 83 HE1 PHE 83 6.929 -1.089 -4.623 664 HZ PHE 83 HZ PHE 83 5.349 -2.944 -4.368 665 H ILE 84 H ILE 84 7.756 -1.046 3.429 666 HA ILE 84 HA ILE 84 6.753 -3.723 3.957 667 HB ILE 84 HB ILE 84 7.196 -1.263 5.697 668 HG12 ILE 84 2HG1 ILE 84 8.563 -3.990 5.582 669 HG13 ILE 84 3HG1 ILE 84 9.226 -2.466 5.007 670 HG21 ILE 84 1HG2 ILE 84 6.076 -3.917 6.650 671 HG22 ILE 84 2HG2 ILE 84 5.221 -2.375 6.625 672 HG23 ILE 84 3HG2 ILE 84 6.604 -2.597 7.696 673 HD11 ILE 84 3HD1 ILE 84 10.245 -3.120 7.079 674 HD12 ILE 84 1HD1 ILE 84 8.675 -3.206 7.878 675 HD13 ILE 84 2HD1 ILE 84 9.299 -1.650 7.319 676 H LYS 85 H LYS 85 5.455 -0.390 4.174 677 HA LYS 85 HA LYS 85 2.816 -1.066 4.889 678 HB2 LYS 85 2HB LYS 85 3.988 1.415 3.589 679 HB3 LYS 85 3HB LYS 85 2.280 1.310 4.019 680 HG2 LYS 85 2HG LYS 85 4.582 0.996 5.987 681 HG3 LYS 85 3HG LYS 85 3.666 2.488 5.727 682 HD2 LYS 85 2HD LYS 85 1.614 1.430 6.520 683 HD3 LYS 85 3HD LYS 85 2.411 -0.143 6.617 684 HE2 LYS 85 2HE LYS 85 3.191 2.271 8.291 685 HE3 LYS 85 3HE LYS 85 2.131 0.969 8.837 686 HZ1 LYS 85 3HZ LYS 85 4.445 0.688 9.563 687 HZ2 LYS 85 1HZ LYS 85 4.945 0.587 7.949 688 HZ3 LYS 85 2HZ LYS 85 3.919 -0.596 8.595 689 H GLY 86 H GLY 86 4.339 -0.771 1.727 690 HA2 GLY 86 2HA GLY 86 2.048 -0.926 0.092 691 HA3 GLY 86 3HA GLY 86 3.678 -1.386 -0.359 692 H TYR 87 H TYR 87 4.270 -3.486 1.276 693 HA TYR 87 HA TYR 87 2.857 -5.651 0.105 694 HB2 TYR 87 2HB TYR 87 4.964 -5.523 2.288 695 HB3 TYR 87 3HB TYR 87 4.240 -7.053 1.800 696 HD1 TYR 87 HD2 TYR 87 4.053 -6.196 -1.254 697 HD2 TYR 87 HD1 TYR 87 7.231 -6.220 1.611 698 HE1 TYR 87 HE2 TYR 87 5.685 -6.420 -3.067 699 HE2 TYR 87 HE1 TYR 87 8.866 -6.451 -0.212 700 HH TYR 87 HH TYR 87 8.084 -5.903 -3.451 701 H THR 88 H THR 88 2.473 -4.001 3.186 702 HA THR 88 HA THR 88 0.790 -5.849 4.502 703 HB THR 88 HB THR 88 0.789 -2.800 4.761 704 HG1 THR 88 HG1 THR 88 2.273 -3.287 6.531 705 HG21 THR 88 3HG2 THR 88 -1.164 -3.837 5.889 706 HG22 THR 88 1HG2 THR 88 -0.018 -3.204 7.074 707 HG23 THR 88 2HG2 THR 88 -0.089 -4.938 6.756 708 H ARG 89 H ARG 89 0.138 -3.228 2.181 709 HA ARG 89 HA ARG 89 -2.755 -3.616 2.214 710 HB2 ARG 89 2HB ARG 89 -1.078 -1.837 0.393 711 HB3 ARG 89 3HB ARG 89 -2.828 -1.771 0.578 712 HG2 ARG 89 2HG ARG 89 -0.771 -1.063 2.708 713 HG3 ARG 89 3HG ARG 89 -1.706 0.082 1.752 714 HD2 ARG 89 2HD ARG 89 -2.704 -0.033 3.929 715 HD3 ARG 89 3HD ARG 89 -3.792 -0.866 2.815 716 HE ARG 89 HE ARG 89 -2.011 -2.712 4.030 717 HH11 ARG 89 1HH1 ARG 89 -4.803 -0.781 4.918 718 HH12 ARG 89 2HH1 ARG 89 -5.312 -1.896 6.139 719 HH21 ARG 89 1HH2 ARG 89 -2.781 -4.224 5.512 720 HH22 ARG 89 2HH2 ARG 89 -4.167 -3.845 6.474 721 H LYS 90 H LYS 90 -0.043 -4.744 0.373 722 HA LYS 90 HA LYS 90 -1.425 -5.235 -2.106 723 HB2 LYS 90 2HB LYS 90 1.034 -4.717 -1.958 724 HB3 LYS 90 3HB LYS 90 1.293 -6.268 -1.174 725 HG2 LYS 90 2HG LYS 90 1.901 -6.298 -3.570 726 HG3 LYS 90 3HG LYS 90 0.624 -7.461 -3.193 727 HD2 LYS 90 2HD LYS 90 -1.067 -6.056 -4.174 728 HD3 LYS 90 3HD LYS 90 0.041 -4.684 -4.285 729 HE2 LYS 90 2HE LYS 90 -0.333 -5.738 -6.475 730 HE3 LYS 90 3HE LYS 90 1.355 -5.845 -5.982 731 HZ1 LYS 90 3HZ LYS 90 0.710 -7.918 -6.892 732 HZ2 LYS 90 1HZ LYS 90 -0.667 -8.020 -5.913 733 HZ3 LYS 90 2HZ LYS 90 0.872 -8.143 -5.227 734 H ALA 91 H ALA 91 -0.132 -7.280 0.503 735 HA ALA 91 HA ALA 91 -1.138 -9.746 -0.460 736 HB1 ALA 91 3HB ALA 91 0.739 -9.561 1.108 737 HB2 ALA 91 1HB ALA 91 -0.538 -10.588 1.760 738 HB3 ALA 91 2HB ALA 91 -0.342 -8.933 2.347 739 H ALA 92 H ALA 92 -2.432 -7.234 1.662 740 HA ALA 92 HA ALA 92 -4.799 -8.531 2.486 741 HB1 ALA 92 3HB ALA 92 -4.281 -5.561 2.085 742 HB2 ALA 92 1HB ALA 92 -3.966 -6.481 3.561 743 HB3 ALA 92 2HB ALA 92 -5.623 -6.260 2.997 744 H ALA 93 H ALA 93 -3.999 -6.622 -0.402 745 HA ALA 93 HA ALA 93 -6.590 -6.578 -1.559 746 HB1 ALA 93 3HB ALA 93 -3.882 -6.359 -2.916 747 HB2 ALA 93 1HB ALA 93 -4.823 -5.021 -2.246 748 HB3 ALA 93 2HB ALA 93 -5.437 -5.923 -3.633 749 H LEU 94 H LEU 94 -3.788 -8.746 -1.982 750 HA LEU 94 HA LEU 94 -4.860 -10.547 -3.852 751 HB2 LEU 94 2HB LEU 94 -2.804 -11.001 -1.654 752 HB3 LEU 94 3HB LEU 94 -3.159 -12.180 -2.911 753 HG LEU 94 HG LEU 94 -2.057 -9.387 -3.428 754 HD11 LEU 94 1HD1 LEU 94 -0.589 -12.034 -3.459 755 HD12 LEU 94 2HD1 LEU 94 -0.404 -10.748 -2.263 756 HD13 LEU 94 3HD1 LEU 94 0.069 -10.464 -3.935 757 HD21 LEU 94 3HD2 LEU 94 -3.363 -10.223 -5.321 758 HD22 LEU 94 1HD2 LEU 94 -2.436 -11.728 -5.327 759 HD23 LEU 94 2HD2 LEU 94 -1.648 -10.194 -5.717 760 H GLU 95 H GLU 95 -5.073 -10.486 -0.307 761 HA GLU 95 HA GLU 95 -6.473 -12.863 0.173 762 HB2 GLU 95 2HB GLU 95 -5.552 -11.544 2.011 763 HB3 GLU 95 3HB GLU 95 -6.579 -10.176 1.603 764 HG2 GLU 95 2HG GLU 95 -8.584 -11.566 2.221 765 HG3 GLU 95 3HG GLU 95 -7.485 -12.842 2.745 766 H ALA 96 H ALA 96 -7.572 -9.703 -1.008 767 HA ALA 96 HA ALA 96 -10.412 -10.320 -0.760 768 HB1 ALA 96 3HB ALA 96 -10.728 -8.089 -1.784 769 HB2 ALA 96 1HB ALA 96 -8.991 -7.970 -2.078 770 HB3 ALA 96 2HB ALA 96 -9.605 -8.014 -0.424 771 H MET 97 H MET 97 -7.930 -11.072 -2.944 772 HA MET 97 HA MET 97 -9.773 -11.568 -5.213 773 HB2 MET 97 2HB MET 97 -6.726 -11.727 -5.080 774 HB3 MET 97 3HB MET 97 -7.701 -11.990 -6.524 775 HG2 MET 97 2HG MET 97 -7.441 -9.393 -4.994 776 HG3 MET 97 3HG MET 97 -6.697 -9.781 -6.550 777 HE1 MET 97 3HE MET 97 -9.594 -7.094 -7.207 778 HE2 MET 97 1HE MET 97 -7.856 -7.372 -7.326 779 HE3 MET 97 2HE MET 97 -8.626 -7.260 -5.741 780 H LYS 98 H LYS 98 -9.067 -13.045 -2.469 781 HA LYS 98 HA LYS 98 -9.192 -15.114 -1.604 782 HB2 LYS 98 2HB LYS 98 -9.879 -16.084 -4.410 783 HB3 LYS 98 3HB LYS 98 -10.125 -16.992 -2.920 784 HG2 LYS 98 2HG LYS 98 -11.521 -14.387 -3.639 785 HG3 LYS 98 3HG LYS 98 -12.218 -15.996 -3.843 786 HD2 LYS 98 2HD LYS 98 -11.419 -14.718 -1.194 787 HD3 LYS 98 3HD LYS 98 -13.063 -14.872 -1.823 788 HE2 LYS 98 2HE LYS 98 -11.218 -17.144 -1.000 789 HE3 LYS 98 3HE LYS 98 -12.673 -16.603 -0.166 790 HZ1 LYS 98 3HZ LYS 98 -12.550 -17.867 -2.846 791 HZ2 LYS 98 1HZ LYS 98 -13.963 -17.271 -2.133 792 HZ3 LYS 98 2HZ LYS 98 -13.136 -18.567 -1.430 793 H ASP 99 H ASP 99 -6.750 -14.095 -3.295 794 HA ASP 99 HA ASP 99 -5.274 -16.537 -3.885 795 HB2 ASP 99 2HB ASP 99 -4.613 -13.575 -4.187 796 HB3 ASP 99 3HB ASP 99 -3.472 -14.853 -4.587 797 H TYR 100 H TYR 100 -5.862 -16.608 -1.264 798 HA TYR 100 HA TYR 100 -4.312 -15.452 0.680 799 HB2 TYR 100 2HB TYR 100 -5.198 -18.364 0.658 800 HB3 TYR 100 3HB TYR 100 -4.846 -17.387 2.084 801 HD1 TYR 100 HD1 TYR 100 -6.259 -14.882 1.632 802 HD2 TYR 100 HD2 TYR 100 -7.508 -18.862 0.680 803 HE1 TYR 100 HE1 TYR 100 -8.596 -14.190 1.756 804 HE2 TYR 100 HE2 TYR 100 -9.854 -18.155 0.817 805 HH TYR 100 HH TYR 100 -11.161 -16.396 1.937 806 H THR 101 H THR 101 -3.412 -18.122 -1.440 807 HA THR 101 HA THR 101 -1.056 -18.942 -0.084 808 HB THR 101 HB THR 101 -0.519 -20.114 -2.255 809 HG1 THR 101 HG1 THR 101 -2.905 -19.646 -3.462 810 HG21 THR 101 3HG2 THR 101 -3.394 -20.449 -1.309 811 HG22 THR 101 1HG2 THR 101 -1.981 -21.230 -0.588 812 HG23 THR 101 2HG2 THR 101 -2.472 -21.635 -2.236 813 H LYS 102 H LYS 102 -1.728 -16.529 -2.586 814 HA LYS 102 HA LYS 102 1.064 -15.866 -3.044 815 HB2 LYS 102 2HB LYS 102 -1.347 -14.188 -3.863 816 HB3 LYS 102 3HB LYS 102 0.252 -14.229 -4.613 817 HG2 LYS 102 2HG LYS 102 -1.860 -16.413 -4.678 818 HG3 LYS 102 3HG LYS 102 -1.368 -15.379 -6.026 819 HD2 LYS 102 2HD LYS 102 0.774 -16.463 -6.198 820 HD3 LYS 102 3HD LYS 102 0.584 -17.259 -4.633 821 HE2 LYS 102 2HE LYS 102 -1.251 -18.625 -5.545 822 HE3 LYS 102 3HE LYS 102 -1.057 -17.837 -7.105 823 HZ1 LYS 102 3HZ LYS 102 1.221 -18.712 -7.186 824 HZ2 LYS 102 1HZ LYS 102 0.071 -19.952 -7.085 825 HZ3 LYS 102 2HZ LYS 102 0.959 -19.512 -5.717 826 H ALA 103 H ALA 103 -1.617 -14.715 -1.114 827 HA ALA 103 HA ALA 103 -0.631 -12.211 -0.309 828 HB1 ALA 103 3HB ALA 103 -2.351 -12.300 1.446 829 HB2 ALA 103 1HB ALA 103 -2.595 -14.024 1.137 830 HB3 ALA 103 2HB ALA 103 -3.009 -12.835 -0.103 831 H MET 104 H MET 104 -0.626 -15.378 1.360 832 HA MET 104 HA MET 104 0.731 -14.616 3.684 833 HB2 MET 104 2HB MET 104 1.108 -16.999 4.092 834 HB3 MET 104 3HB MET 104 -0.517 -16.730 3.492 835 HG2 MET 104 2HG MET 104 0.150 -17.531 1.272 836 HG3 MET 104 3HG MET 104 1.805 -17.755 1.838 837 HE1 MET 104 3HE MET 104 -1.943 -18.775 2.544 838 HE2 MET 104 1HE MET 104 -1.286 -18.540 4.166 839 HE3 MET 104 2HE MET 104 -1.718 -20.158 3.613 840 H ASP 105 H ASP 105 1.949 -15.517 0.526 841 HA ASP 105 HA ASP 105 4.680 -15.889 1.144 842 HB2 ASP 105 2HB ASP 105 3.429 -16.500 -1.029 843 HB3 ASP 105 3HB ASP 105 3.550 -14.806 -1.481 844 H VAL 106 H VAL 106 2.698 -13.067 0.330 845 HA VAL 106 HA VAL 106 4.892 -11.189 0.113 846 HB VAL 106 HB VAL 106 1.868 -10.765 0.228 847 HG11 VAL 106 1HG1 VAL 106 4.020 -8.760 -0.526 848 HG12 VAL 106 2HG1 VAL 106 3.014 -8.707 0.922 849 HG13 VAL 106 3HG1 VAL 106 2.280 -8.497 -0.668 850 HG21 VAL 106 3HG2 VAL 106 1.997 -10.459 -2.210 851 HG22 VAL 106 1HG2 VAL 106 2.615 -12.048 -1.751 852 HG23 VAL 106 2HG2 VAL 106 3.738 -10.752 -2.169 853 H TYR 107 H TYR 107 2.539 -12.149 2.588 854 HA TYR 107 HA TYR 107 3.109 -10.187 4.540 855 HB2 TYR 107 2HB TYR 107 2.008 -13.011 4.802 856 HB3 TYR 107 3HB TYR 107 2.210 -11.946 6.188 857 HD1 TYR 107 HD1 TYR 107 1.178 -9.396 5.503 858 HD2 TYR 107 HD2 TYR 107 -0.251 -13.185 4.187 859 HE1 TYR 107 HE1 TYR 107 -1.062 -8.432 5.203 860 HE2 TYR 107 HE2 TYR 107 -2.469 -12.236 3.864 861 HH TYR 107 HH TYR 107 -3.841 -10.400 4.601 862 H GLN 108 H GLN 108 4.481 -13.406 3.877 863 HA GLN 108 HA GLN 108 6.243 -13.610 6.066 864 HB2 GLN 108 2HB GLN 108 5.527 -15.434 4.354 865 HB3 GLN 108 3HB GLN 108 6.779 -14.792 3.308 866 HG2 GLN 108 2HG GLN 108 7.387 -15.796 6.100 867 HG3 GLN 108 3HG GLN 108 7.312 -16.883 4.723 868 HE21 GLN 108 1HE2 GLN 108 9.064 -14.245 6.193 869 HE22 GLN 108 2HE2 GLN 108 10.528 -14.439 5.301 870 H LYS 109 H LYS 109 6.702 -12.394 2.747 871 HA LYS 109 HA LYS 109 9.406 -11.654 2.939 872 HB2 LYS 109 2HB LYS 109 7.226 -10.524 1.136 873 HB3 LYS 109 3HB LYS 109 8.947 -10.200 0.934 874 HG2 LYS 109 2HG LYS 109 7.647 -12.938 0.768 875 HG3 LYS 109 3HG LYS 109 8.096 -11.943 -0.618 876 HD2 LYS 109 2HD LYS 109 10.042 -13.053 1.456 877 HD3 LYS 109 3HD LYS 109 9.733 -13.766 -0.127 878 HE2 LYS 109 2HE LYS 109 10.554 -11.658 -1.194 879 HE3 LYS 109 3HE LYS 109 10.955 -11.034 0.408 880 HZ1 LYS 109 3HZ LYS 109 12.461 -12.895 0.706 881 HZ2 LYS 109 1HZ LYS 109 12.876 -11.995 -0.663 882 HZ3 LYS 109 2HZ LYS 109 12.085 -13.482 -0.836 883 H ALA 110 H ALA 110 6.436 -9.811 3.607 884 HA ALA 110 HA ALA 110 7.564 -7.285 4.111 885 HB1 ALA 110 3HB ALA 110 5.154 -7.683 3.712 886 HB2 ALA 110 1HB ALA 110 5.428 -6.761 5.194 887 HB3 ALA 110 2HB ALA 110 5.027 -8.478 5.281 888 H LEU 111 H LEU 111 6.735 -9.932 6.352 889 HA LEU 111 HA LEU 111 7.713 -8.863 8.766 890 HB2 LEU 111 2HB LEU 111 7.444 -11.738 7.797 891 HB3 LEU 111 3HB LEU 111 7.861 -11.324 9.453 892 HG LEU 111 HG LEU 111 5.262 -10.459 8.123 893 HD11 LEU 111 1HD1 LEU 111 5.697 -12.831 9.961 894 HD12 LEU 111 2HD1 LEU 111 5.345 -12.909 8.232 895 HD13 LEU 111 3HD1 LEU 111 4.143 -12.251 9.344 896 HD21 LEU 111 3HD2 LEU 111 5.955 -9.049 10.007 897 HD22 LEU 111 1HD2 LEU 111 6.110 -10.474 11.039 898 HD23 LEU 111 2HD2 LEU 111 4.528 -9.993 10.420 899 H ASP 112 H ASP 112 9.283 -10.613 6.157 900 HA ASP 112 HA ASP 112 11.751 -11.219 7.437 901 HB2 ASP 112 2HB ASP 112 10.806 -12.466 5.480 902 HB3 ASP 112 3HB ASP 112 11.078 -11.055 4.465 903 H LEU 113 H LEU 113 10.527 -8.443 5.660 904 HA LEU 113 HA LEU 113 12.956 -7.081 5.104 905 HB2 LEU 113 2HB LEU 113 10.198 -5.915 5.672 906 HB3 LEU 113 3HB LEU 113 11.535 -5.046 4.931 907 HG LEU 113 HG LEU 113 10.096 -7.422 3.716 908 HD11 LEU 113 1HD1 LEU 113 9.912 -4.504 2.991 909 HD12 LEU 113 2HD1 LEU 113 8.651 -5.500 3.720 910 HD13 LEU 113 3HD1 LEU 113 9.199 -5.840 2.082 911 HD21 LEU 113 3HD2 LEU 113 11.383 -6.925 1.671 912 HD22 LEU 113 1HD2 LEU 113 12.415 -7.411 3.012 913 HD23 LEU 113 2HD2 LEU 113 12.305 -5.709 2.558 914 H ASP 114 H ASP 114 10.643 -6.843 7.804 915 HA ASP 114 HA ASP 114 12.659 -6.206 9.737 916 HB2 ASP 114 2HB ASP 114 12.359 -3.987 8.564 917 HB3 ASP 114 3HB ASP 114 10.663 -3.998 9.042 918 H SER 115 H SER 115 11.923 -6.586 11.791 919 HA SER 115 HA SER 115 9.768 -8.339 12.103 920 HB2 SER 115 2HB SER 115 11.297 -6.810 14.255 921 HB3 SER 115 3HB SER 115 10.314 -8.250 14.522 922 HG SER 115 HG SER 115 11.809 -9.469 13.588 923 H SER 116 H SER 116 9.963 -4.831 12.701 924 HA SER 116 HA SER 116 7.569 -4.496 14.168 925 HB2 SER 116 2HB SER 116 9.335 -2.778 14.103 926 HB3 SER 116 3HB SER 116 9.051 -2.521 12.390 927 HG SER 116 HG SER 116 6.764 -2.256 13.855 928 H CYS 117 H CYS 117 7.925 -5.438 10.934 929 HA CYS 117 HA CYS 117 5.393 -4.463 9.971 930 HB2 CYS 117 2HB CYS 117 7.280 -5.066 8.454 931 HB3 CYS 117 3HB CYS 117 7.083 -6.756 8.918 932 HG CYS 117 HG CYS 117 4.153 -5.713 7.972 933 H LYS 118 H LYS 118 5.840 -6.424 12.540 934 HA LYS 118 HA LYS 118 4.255 -8.644 12.393 935 HB2 LYS 118 2HB LYS 118 4.203 -6.546 14.587 936 HB3 LYS 118 3HB LYS 118 3.417 -8.111 14.742 937 HG2 LYS 118 2HG LYS 118 6.387 -7.588 14.455 938 HG3 LYS 118 3HG LYS 118 5.547 -8.126 15.902 939 HD2 LYS 118 2HD LYS 118 5.878 -9.707 13.322 940 HD3 LYS 118 3HD LYS 118 6.746 -9.980 14.834 941 HE2 LYS 118 2HE LYS 118 3.755 -10.318 14.414 942 HE3 LYS 118 3HE LYS 118 4.939 -11.615 14.559 943 HZ1 LYS 118 3HZ LYS 118 4.317 -9.641 16.692 944 HZ2 LYS 118 1HZ LYS 118 5.394 -10.943 16.817 945 HZ3 LYS 118 2HZ LYS 118 3.735 -11.225 16.625 946 H GLU 119 H GLU 119 3.045 -5.356 12.129 947 HA GLU 119 HA GLU 119 0.319 -5.519 12.292 948 HB2 GLU 119 2HB GLU 119 0.293 -3.746 10.506 949 HB3 GLU 119 3HB GLU 119 1.482 -3.436 11.769 950 HG2 GLU 119 2HG GLU 119 3.248 -4.396 10.278 951 HG3 GLU 119 3HG GLU 119 2.045 -4.560 9.002 952 H ALA 120 H ALA 120 2.333 -6.681 9.655 953 HA ALA 120 HA ALA 120 0.208 -7.556 7.929 954 HB1 ALA 120 3HB ALA 120 2.315 -6.691 7.009 955 HB2 ALA 120 1HB ALA 120 2.072 -8.366 6.512 956 HB3 ALA 120 2HB ALA 120 3.213 -7.988 7.798 957 H ALA 121 H ALA 121 2.095 -8.960 10.545 958 HA ALA 121 HA ALA 121 1.698 -11.718 9.912 959 HB1 ALA 121 3HB ALA 121 2.178 -10.466 12.638 960 HB2 ALA 121 1HB ALA 121 3.424 -11.026 11.520 961 HB3 ALA 121 2HB ALA 121 2.312 -12.184 12.248 962 H ASP 122 H ASP 122 -0.117 -9.349 11.852 963 HA ASP 122 HA ASP 122 -2.252 -10.954 12.697 964 HB2 ASP 122 2HB ASP 122 -2.235 -8.001 11.934 965 HB3 ASP 122 3HB ASP 122 -3.578 -8.796 12.756 966 H GLY 123 H GLY 123 -1.883 -9.050 9.699 967 HA2 GLY 123 2HA GLY 123 -4.297 -9.690 8.423 968 HA3 GLY 123 3HA GLY 123 -2.807 -9.218 7.621 969 H TYR 124 H TYR 124 -1.202 -11.411 8.521 970 HA TYR 124 HA TYR 124 -1.721 -13.426 6.631 971 HB2 TYR 124 2HB TYR 124 0.555 -13.107 7.359 972 HB3 TYR 124 3HB TYR 124 0.126 -13.323 9.045 973 HD1 TYR 124 HD1 TYR 124 -0.424 -15.390 5.924 974 HD2 TYR 124 HD2 TYR 124 1.111 -15.270 9.914 975 HE1 TYR 124 HE1 TYR 124 0.157 -17.777 5.780 976 HE2 TYR 124 HE2 TYR 124 1.688 -17.647 9.757 977 HH TYR 124 HH TYR 124 0.987 -19.629 8.503 978 H GLN 125 H GLN 125 -2.147 -13.434 10.193 979 HA GLN 125 HA GLN 125 -2.973 -15.990 10.703 980 HB2 GLN 125 2HB GLN 125 -4.262 -13.548 11.982 981 HB3 GLN 125 3HB GLN 125 -4.202 -15.162 12.670 982 HG2 GLN 125 2HG GLN 125 -1.975 -13.141 12.356 983 HG3 GLN 125 3HG GLN 125 -2.608 -13.851 13.842 984 HE21 GLN 125 1HE2 GLN 125 -0.618 -14.337 11.056 985 HE22 GLN 125 2HE2 GLN 125 0.194 -15.728 11.606 986 H ARG 126 H ARG 126 -4.972 -13.361 9.424 987 HA ARG 126 HA ARG 126 -7.431 -14.829 9.438 988 HB2 ARG 126 2HB ARG 126 -7.323 -12.338 9.576 989 HB3 ARG 126 3HB ARG 126 -6.713 -12.287 7.926 990 HG2 ARG 126 2HG ARG 126 -8.820 -13.185 7.067 991 HG3 ARG 126 3HG ARG 126 -9.426 -13.411 8.710 992 HD2 ARG 126 2HD ARG 126 -10.384 -11.403 7.647 993 HD3 ARG 126 3HD ARG 126 -9.428 -10.995 9.076 994 HE ARG 126 HE ARG 126 -8.234 -10.818 6.396 995 HH11 ARG 126 1HH1 ARG 126 -9.266 -9.152 9.295 996 HH12 ARG 126 2HH1 ARG 126 -8.460 -7.684 8.873 997 HH21 ARG 126 1HH2 ARG 126 -7.176 -8.937 5.852 998 HH22 ARG 126 2HH2 ARG 126 -7.258 -7.551 6.899 999 H CYS 127 H CYS 127 -4.871 -14.230 6.995 1000 HA CYS 127 HA CYS 127 -6.405 -15.061 4.717 1001 HB2 CYS 127 2HB CYS 127 -3.402 -14.787 5.101 1002 HB3 CYS 127 3HB CYS 127 -4.166 -15.139 3.554 1003 HG CYS 127 HG CYS 127 -5.120 -12.366 5.252 1004 H MET 128 H MET 128 -3.984 -16.700 6.747 1005 HA MET 128 HA MET 128 -3.951 -19.151 5.333 1006 HB2 MET 128 2HB MET 128 -2.875 -20.089 7.399 1007 HB3 MET 128 3HB MET 128 -2.089 -18.655 6.762 1008 HG2 MET 128 2HG MET 128 -3.017 -17.284 8.512 1009 HG3 MET 128 3HG MET 128 -4.019 -18.613 9.098 1010 HE1 MET 128 3HE MET 128 -3.127 -20.730 10.242 1011 HE2 MET 128 1HE MET 128 -1.436 -21.033 10.653 1012 HE3 MET 128 2HE MET 128 -1.958 -21.102 8.971 1013 H MET 129 H MET 129 -5.820 -18.100 8.247 1014 HA MET 129 HA MET 129 -7.150 -20.631 8.519 1015 HB2 MET 129 2HB MET 129 -8.451 -19.667 10.277 1016 HB3 MET 129 3HB MET 129 -6.837 -18.992 10.433 1017 HG2 MET 129 2HG MET 129 -7.553 -16.871 9.588 1018 HG3 MET 129 3HG MET 129 -9.105 -17.517 9.067 1019 HE1 MET 129 3HE MET 129 -10.071 -19.279 11.530 1020 HE2 MET 129 1HE MET 129 -11.113 -18.108 10.719 1021 HE3 MET 129 2HE MET 129 -10.959 -18.086 12.476 1022 H ALA 130 H ALA 130 -7.624 -17.951 6.411 1023 HA ALA 130 HA ALA 130 -10.464 -18.013 6.106 1024 HB1 ALA 130 3HB ALA 130 -10.081 -16.600 4.126 1025 HB2 ALA 130 1HB ALA 130 -8.350 -16.952 4.203 1026 HB3 ALA 130 2HB ALA 130 -9.126 -16.042 5.501 1027 H GLN 131 H GLN 131 -7.785 -19.548 4.330 1028 HA GLN 131 HA GLN 131 -9.591 -20.983 2.559 1029 HB2 GLN 131 2HB GLN 131 -7.497 -22.170 1.783 1030 HB3 GLN 131 3HB GLN 131 -7.473 -20.425 1.579 1031 HG2 GLN 131 2HG GLN 131 -6.015 -20.156 3.486 1032 HG3 GLN 131 3HG GLN 131 -6.139 -21.871 3.869 1033 HE21 GLN 131 1HE2 GLN 131 -3.722 -20.558 3.491 1034 HE22 GLN 131 2HE2 GLN 131 -2.954 -21.213 2.086 1035 H TYR 132 H TYR 132 -8.018 -21.555 5.640 1036 HA TYR 132 HA TYR 132 -8.861 -24.399 5.687 1037 HB2 TYR 132 2HB TYR 132 -7.223 -22.883 7.775 1038 HB3 TYR 132 3HB TYR 132 -7.426 -24.627 7.660 1039 HD1 TYR 132 HD1 TYR 132 -6.931 -24.550 4.469 1040 HD2 TYR 132 HD2 TYR 132 -4.779 -23.092 7.871 1041 HE1 TYR 132 HE1 TYR 132 -4.848 -24.626 3.184 1042 HE2 TYR 132 HE2 TYR 132 -2.687 -23.198 6.589 1043 HH TYR 132 HH TYR 132 -2.621 -23.655 3.198 1044 H ASN 133 H ASN 133 -10.920 -22.458 5.683 1045 HA ASN 133 HA ASN 133 -11.605 -21.787 8.437 1046 HB2 ASN 133 2HB ASN 133 -11.692 -20.199 6.337 1047 HB3 ASN 133 3HB ASN 133 -13.232 -20.984 5.996 1048 HD21 ASN 133 1HD2 ASN 133 -11.459 -18.980 8.231 1049 HD22 ASN 133 2HD2 ASN 133 -12.836 -18.347 9.057 Start of MODEL 16 1 H1 MET 1 1H MET 1 13.746 19.737 -18.662 2 H2 MET 1 2H MET 1 13.828 18.153 -19.234 3 H3 MET 1 3H MET 1 15.088 18.782 -18.296 4 HA MET 1 HA MET 1 12.313 18.294 -17.394 5 HB2 MET 1 2HB MET 1 14.922 16.872 -16.671 6 HB3 MET 1 3HB MET 1 13.362 16.545 -15.927 7 HG2 MET 1 2HG MET 1 12.496 15.757 -18.086 8 HG3 MET 1 3HG MET 1 14.059 16.101 -18.836 9 HE1 MET 1 3HE MET 1 14.004 12.174 -18.745 10 HE2 MET 1 1HE MET 1 14.282 13.586 -19.762 11 HE3 MET 1 2HE MET 1 12.673 13.274 -19.103 12 H GLY 2 H GLY 2 11.739 19.282 -15.500 13 HA2 GLY 2 2HA GLY 2 11.841 20.519 -13.570 14 HA3 GLY 2 3HA GLY 2 13.551 20.135 -13.467 15 H HIS 3 H HIS 3 11.442 22.027 -15.625 16 HA HIS 3 HA HIS 3 13.418 24.057 -16.130 17 HB2 HIS 3 2HB HIS 3 11.642 23.332 -17.777 18 HB3 HIS 3 3HB HIS 3 10.436 24.125 -16.771 19 HD1 HIS 3 HD1 HIS 3 13.295 24.844 -19.104 20 HD2 HIS 3 HD2 HIS 3 10.307 26.889 -17.075 21 HE1 HIS 3 HE1 HIS 3 13.299 27.163 -20.054 22 HE2 HIS 3 HE2 HIS 3 11.609 28.417 -18.689 23 H HIS 4 H HIS 4 13.255 26.326 -15.481 24 HA HIS 4 HA HIS 4 13.593 27.706 -13.713 25 HB2 HIS 4 2HB HIS 4 10.730 26.852 -13.098 26 HB3 HIS 4 3HB HIS 4 11.591 27.946 -12.025 27 HD1 HIS 4 HD1 HIS 4 11.578 30.375 -12.632 28 HD2 HIS 4 HD2 HIS 4 10.274 27.970 -15.748 29 HE1 HIS 4 HE1 HIS 4 10.717 31.951 -14.379 30 HE2 HIS 4 HE2 HIS 4 9.803 30.466 -16.188 31 H HIS 5 H HIS 5 15.167 25.897 -13.397 32 HA HIS 5 HA HIS 5 14.716 23.958 -11.322 33 HB2 HIS 5 2HB HIS 5 16.143 23.510 -13.344 34 HB3 HIS 5 3HB HIS 5 17.314 24.683 -12.748 35 HD1 HIS 5 HD1 HIS 5 16.117 21.196 -12.264 36 HD2 HIS 5 HD2 HIS 5 18.841 23.790 -10.523 37 HE1 HIS 5 HE1 HIS 5 17.513 19.781 -10.733 38 HE2 HIS 5 HE2 HIS 5 19.297 21.343 -9.907 39 H HIS 6 H HIS 6 14.276 25.149 -9.497 40 HA HIS 6 HA HIS 6 15.870 27.244 -8.448 41 HB2 HIS 6 2HB HIS 6 13.736 25.484 -7.194 42 HB3 HIS 6 3HB HIS 6 14.572 26.724 -6.265 43 HD1 HIS 6 HD1 HIS 6 13.995 29.179 -6.753 44 HD2 HIS 6 HD2 HIS 6 11.913 26.496 -9.149 45 HE1 HIS 6 HE1 HIS 6 12.203 30.528 -7.876 46 HE2 HIS 6 HE2 HIS 6 11.053 28.915 -9.422 47 H HIS 7 H HIS 7 17.982 26.823 -8.178 48 HA HIS 7 HA HIS 7 18.804 24.821 -6.179 49 HB2 HIS 7 2HB HIS 7 19.186 23.877 -8.486 50 HB3 HIS 7 3HB HIS 7 20.237 25.242 -8.842 51 HD1 HIS 7 HD1 HIS 7 22.352 23.835 -9.152 52 HD2 HIS 7 HD2 HIS 7 20.540 23.232 -5.464 53 HE1 HIS 7 HE1 HIS 7 23.970 22.459 -7.822 54 HE2 HIS 7 HE2 HIS 7 22.920 22.258 -5.550 55 H HIS 8 H HIS 8 18.764 26.713 -4.890 56 HA HIS 8 HA HIS 8 21.412 28.009 -4.790 57 HB2 HIS 8 2HB HIS 8 18.723 29.412 -4.294 58 HB3 HIS 8 3HB HIS 8 20.293 30.101 -3.891 59 HD1 HIS 8 HD1 HIS 8 17.874 29.782 -6.636 60 HD2 HIS 8 HD2 HIS 8 21.889 30.766 -6.228 61 HE1 HIS 8 HE1 HIS 8 18.506 30.963 -8.764 62 HE2 HIS 8 HE2 HIS 8 20.945 31.502 -8.508 63 H SER 9 H SER 9 20.956 29.266 -2.263 64 HA SER 9 HA SER 9 20.911 27.144 -0.385 65 HB2 SER 9 2HB SER 9 20.744 29.043 1.325 66 HB3 SER 9 3HB SER 9 22.104 29.165 0.209 67 HG SER 9 HG SER 9 19.672 30.430 -0.433 68 H HIS 10 H HIS 10 19.050 25.980 -0.848 69 HA HIS 10 HA HIS 10 16.439 27.143 -1.039 70 HB2 HIS 10 2HB HIS 10 15.631 24.794 -1.334 71 HB3 HIS 10 3HB HIS 10 16.935 25.218 -2.433 72 HD1 HIS 10 HD1 HIS 10 15.921 22.693 -0.012 73 HD2 HIS 10 HD2 HIS 10 19.514 24.006 -1.627 74 HE1 HIS 10 HE1 HIS 10 17.570 20.863 0.448 75 HE2 HIS 10 HE2 HIS 10 19.767 21.784 -0.348 76 H MET 11 H MET 11 15.757 28.064 0.774 77 HA MET 11 HA MET 11 16.021 27.208 3.432 78 HB2 MET 11 2HB MET 11 13.831 28.941 2.201 79 HB3 MET 11 3HB MET 11 14.174 28.820 3.922 80 HG2 MET 11 2HG MET 11 16.310 29.894 3.651 81 HG3 MET 11 3HG MET 11 16.189 29.809 1.892 82 HE1 MET 11 3HE MET 11 14.468 31.249 0.446 83 HE2 MET 11 1HE MET 11 13.306 32.372 1.152 84 HE3 MET 11 2HE MET 11 13.115 30.637 1.398 85 H ASN 12 H ASN 12 13.421 26.642 1.069 86 HA ASN 12 HA ASN 12 11.934 24.735 2.603 87 HB2 ASN 12 2HB ASN 12 12.175 25.119 -0.431 88 HB3 ASN 12 3HB ASN 12 11.012 24.040 0.338 89 HD21 ASN 12 1HD2 ASN 12 10.477 26.301 -1.385 90 HD22 ASN 12 2HD2 ASN 12 9.492 27.385 -0.467 91 HA PRO 13 HA PRO 13 15.476 21.797 2.487 92 HB2 PRO 13 2HB PRO 13 13.415 19.937 3.673 93 HB3 PRO 13 3HB PRO 13 15.043 20.340 4.263 94 HG2 PRO 13 2HG PRO 13 12.913 21.332 5.485 95 HG3 PRO 13 3HG PRO 13 14.347 22.359 5.231 96 HD2 PRO 13 2HD PRO 13 11.759 22.311 3.677 97 HD3 PRO 13 3HD PRO 13 12.713 23.707 4.237 98 H ASP 14 H ASP 14 12.178 20.834 1.591 99 HA ASP 14 HA ASP 14 12.962 19.926 -1.013 100 HB2 ASP 14 2HB ASP 14 13.574 17.877 0.145 101 HB3 ASP 14 3HB ASP 14 12.086 17.883 1.089 102 H LEU 15 H LEU 15 11.394 20.897 -2.125 103 HA LEU 15 HA LEU 15 8.929 21.780 -1.120 104 HB2 LEU 15 2HB LEU 15 9.790 21.342 -4.007 105 HB3 LEU 15 3HB LEU 15 8.326 22.185 -3.525 106 HG LEU 15 HG LEU 15 9.944 23.791 -2.214 107 HD11 LEU 15 1HD1 LEU 15 11.997 22.549 -2.378 108 HD12 LEU 15 2HD1 LEU 15 12.170 24.098 -3.195 109 HD13 LEU 15 3HD1 LEU 15 11.950 22.621 -4.140 110 HD21 LEU 15 3HD2 LEU 15 10.210 25.245 -4.173 111 HD22 LEU 15 1HD2 LEU 15 8.612 24.499 -4.138 112 HD23 LEU 15 2HD2 LEU 15 9.845 23.885 -5.240 113 H ALA 16 H ALA 16 9.863 18.788 -2.636 114 HA ALA 16 HA ALA 16 7.316 17.715 -3.220 115 HB1 ALA 16 3HB ALA 16 9.367 16.877 -4.247 116 HB2 ALA 16 1HB ALA 16 8.487 15.574 -3.452 117 HB3 ALA 16 2HB ALA 16 9.923 16.264 -2.688 118 H LEU 17 H LEU 17 8.984 18.046 -0.154 119 HA LEU 17 HA LEU 17 7.378 16.008 1.159 120 HB2 LEU 17 2HB LEU 17 8.722 16.270 3.009 121 HB3 LEU 17 3HB LEU 17 9.807 16.828 1.762 122 HG LEU 17 HG LEU 17 8.847 19.253 2.513 123 HD11 LEU 17 1HD1 LEU 17 7.255 18.416 4.175 124 HD12 LEU 17 2HD1 LEU 17 8.507 19.379 4.958 125 HD13 LEU 17 3HD1 LEU 17 8.557 17.616 5.058 126 HD21 LEU 17 3HD2 LEU 17 11.012 17.770 4.049 127 HD22 LEU 17 1HD2 LEU 17 10.804 19.524 3.984 128 HD23 LEU 17 2HD2 LEU 17 11.224 18.632 2.524 129 H MET 18 H MET 18 6.973 19.301 0.268 130 HA MET 18 HA MET 18 5.262 20.122 2.462 131 HB2 MET 18 2HB MET 18 5.432 21.410 -0.301 132 HB3 MET 18 3HB MET 18 4.905 22.166 1.198 133 HG2 MET 18 2HG MET 18 7.720 21.252 0.569 134 HG3 MET 18 3HG MET 18 7.150 22.918 0.555 135 HE1 MET 18 3HE MET 18 9.568 22.763 3.641 136 HE2 MET 18 1HE MET 18 9.247 23.521 2.080 137 HE3 MET 18 2HE MET 18 9.746 21.829 2.155 138 H VAL 19 H VAL 19 4.811 18.709 -0.697 139 HA VAL 19 HA VAL 19 1.966 19.141 -0.863 140 HB VAL 19 HB VAL 19 3.483 19.044 -2.852 141 HG11 VAL 19 1HG1 VAL 19 4.939 17.216 -2.192 142 HG12 VAL 19 2HG1 VAL 19 4.198 16.866 -3.753 143 HG13 VAL 19 3HG1 VAL 19 3.602 16.068 -2.297 144 HG21 VAL 19 3HG2 VAL 19 1.049 18.794 -3.153 145 HG22 VAL 19 1HG2 VAL 19 1.190 17.045 -2.960 146 HG23 VAL 19 2HG2 VAL 19 1.934 17.844 -4.348 147 H LYS 20 H LYS 20 4.025 16.528 0.358 148 HA LYS 20 HA LYS 20 1.868 14.603 0.518 149 HB2 LYS 20 2HB LYS 20 3.386 13.121 1.595 150 HB3 LYS 20 3HB LYS 20 4.340 13.986 0.401 151 HG2 LYS 20 2HG LYS 20 5.228 15.455 2.212 152 HG3 LYS 20 3HG LYS 20 4.301 14.526 3.389 153 HD2 LYS 20 2HD LYS 20 6.649 13.808 3.382 154 HD3 LYS 20 3HD LYS 20 5.610 12.496 2.827 155 HE2 LYS 20 2HE LYS 20 6.260 12.895 0.523 156 HE3 LYS 20 3HE LYS 20 7.152 14.341 0.981 157 HZ1 LYS 20 3HZ LYS 20 8.642 12.497 0.643 158 HZ2 LYS 20 1HZ LYS 20 7.818 11.564 1.787 159 HZ3 LYS 20 2HZ LYS 20 8.662 12.944 2.269 160 H ASN 21 H ASN 21 3.059 17.199 2.504 161 HA ASN 21 HA ASN 21 1.847 16.532 4.984 162 HB2 ASN 21 2HB ASN 21 2.520 19.292 3.866 163 HB3 ASN 21 3HB ASN 21 2.065 18.973 5.539 164 HD21 ASN 21 1HD2 ASN 21 4.505 20.145 4.534 165 HD22 ASN 21 2HD2 ASN 21 5.793 19.134 5.087 166 H LYS 22 H LYS 22 0.711 18.621 2.289 167 HA LYS 22 HA LYS 22 -1.883 19.064 3.430 168 HB2 LYS 22 2HB LYS 22 -2.485 20.017 1.204 169 HB3 LYS 22 3HB LYS 22 -1.014 20.701 1.874 170 HG2 LYS 22 2HG LYS 22 -0.457 20.451 -0.363 171 HG3 LYS 22 3HG LYS 22 0.226 18.999 0.350 172 HD2 LYS 22 2HD LYS 22 -0.811 18.361 -1.714 173 HD3 LYS 22 3HD LYS 22 -1.848 17.755 -0.426 174 HE2 LYS 22 2HE LYS 22 -3.248 18.701 -2.155 175 HE3 LYS 22 3HE LYS 22 -3.324 19.771 -0.755 176 HZ1 LYS 22 3HZ LYS 22 -1.677 21.207 -1.856 177 HZ2 LYS 22 1HZ LYS 22 -3.089 21.034 -2.776 178 HZ3 LYS 22 2HZ LYS 22 -1.690 20.190 -3.208 179 H GLY 23 H GLY 23 -0.454 16.553 1.498 180 HA2 GLY 23 2HA GLY 23 -2.735 15.255 0.476 181 HA3 GLY 23 3HA GLY 23 -1.186 14.500 0.823 182 H ASN 24 H ASN 24 -0.817 14.436 3.349 183 HA ASN 24 HA ASN 24 -2.526 12.525 4.469 184 HB2 ASN 24 2HB ASN 24 -0.572 14.345 5.948 185 HB3 ASN 24 3HB ASN 24 -1.222 12.822 6.554 186 HD21 ASN 24 1HD2 ASN 24 1.545 13.575 6.163 187 HD22 ASN 24 2HD2 ASN 24 2.218 12.427 5.060 188 H GLU 25 H GLU 25 -2.490 16.046 4.743 189 HA GLU 25 HA GLU 25 -4.258 16.298 6.936 190 HB2 GLU 25 2HB GLU 25 -3.009 18.219 6.711 191 HB3 GLU 25 3HB GLU 25 -2.975 18.156 4.954 192 HG2 GLU 25 2HG GLU 25 -5.237 19.022 4.871 193 HG3 GLU 25 3HG GLU 25 -5.359 19.004 6.628 194 H CYS 26 H CYS 26 -4.808 16.734 3.384 195 HA CYS 26 HA CYS 26 -7.513 17.449 3.620 196 HB2 CYS 26 2HB CYS 26 -6.030 16.205 1.307 197 HB3 CYS 26 3HB CYS 26 -7.679 16.791 1.179 198 HG CYS 26 HG CYS 26 -6.274 19.305 2.443 199 H PHE 27 H PHE 27 -6.063 14.238 3.068 200 HA PHE 27 HA PHE 27 -8.439 12.737 2.860 201 HB2 PHE 27 2HB PHE 27 -6.237 11.817 2.247 202 HB3 PHE 27 3HB PHE 27 -5.704 11.900 3.922 203 HD1 PHE 27 HD2 PHE 27 -8.611 10.446 1.995 204 HD2 PHE 27 HD1 PHE 27 -5.670 9.840 5.046 205 HE1 PHE 27 HE2 PHE 27 -9.443 8.160 2.351 206 HE2 PHE 27 HE1 PHE 27 -6.510 7.555 5.394 207 HZ PHE 27 HZ PHE 27 -8.397 6.712 4.050 208 H GLN 28 H GLN 28 -6.527 13.715 5.669 209 HA GLN 28 HA GLN 28 -7.998 12.446 7.735 210 HB2 GLN 28 2HB GLN 28 -5.679 13.280 8.019 211 HB3 GLN 28 3HB GLN 28 -6.224 14.931 7.774 212 HG2 GLN 28 2HG GLN 28 -5.799 14.545 10.122 213 HG3 GLN 28 3HG GLN 28 -7.524 14.813 9.869 214 HE21 GLN 28 1HE2 GLN 28 -5.819 11.748 9.221 215 HE22 GLN 28 2HE2 GLN 28 -6.618 10.859 10.465 216 H LYS 29 H LYS 29 -8.600 15.387 5.836 217 HA LYS 29 HA LYS 29 -10.511 16.524 7.741 218 HB2 LYS 29 2HB LYS 29 -10.376 17.275 4.790 219 HB3 LYS 29 3HB LYS 29 -10.919 18.251 6.142 220 HG2 LYS 29 2HG LYS 29 -8.074 17.496 5.490 221 HG3 LYS 29 3HG LYS 29 -8.807 19.073 5.251 222 HD2 LYS 29 2HD LYS 29 -8.328 17.749 7.948 223 HD3 LYS 29 3HD LYS 29 -7.270 18.968 7.216 224 HE2 LYS 29 2HE LYS 29 -9.282 20.527 7.202 225 HE3 LYS 29 3HE LYS 29 -10.140 19.314 8.158 226 HZ1 LYS 29 3HZ LYS 29 -9.193 20.965 9.604 227 HZ2 LYS 29 1HZ LYS 29 -7.652 20.738 8.937 228 HZ3 LYS 29 2HZ LYS 29 -8.370 19.506 9.836 229 H GLY 30 H GLY 30 -10.554 13.898 5.675 230 HA2 GLY 30 2HA GLY 30 -12.362 12.379 5.576 231 HA3 GLY 30 3HA GLY 30 -13.505 13.709 5.710 232 H ASP 31 H ASP 31 -10.749 13.847 3.531 233 HA ASP 31 HA ASP 31 -12.577 13.761 1.200 234 HB2 ASP 31 2HB ASP 31 -9.842 15.051 1.600 235 HB3 ASP 31 3HB ASP 31 -10.637 14.939 0.040 236 H TYR 32 H TYR 32 -12.671 11.526 0.933 237 HA TYR 32 HA TYR 32 -10.299 9.881 0.790 238 HB2 TYR 32 2HB TYR 32 -13.234 9.192 0.348 239 HB3 TYR 32 3HB TYR 32 -11.930 8.008 0.301 240 HD1 TYR 32 HD1 TYR 32 -12.955 10.793 2.642 241 HD2 TYR 32 HD2 TYR 32 -11.857 6.688 2.263 242 HE1 TYR 32 HE1 TYR 32 -13.181 10.511 5.055 243 HE2 TYR 32 HE2 TYR 32 -12.086 6.405 4.693 244 HH TYR 32 HH TYR 32 -13.558 8.770 6.687 245 HA PRO 33 HA PRO 33 -11.409 9.641 -3.971 246 HB2 PRO 33 2HB PRO 33 -13.002 11.618 -5.061 247 HB3 PRO 33 3HB PRO 33 -13.644 10.077 -4.461 248 HG2 PRO 33 2HG PRO 33 -13.580 12.741 -3.077 249 HG3 PRO 33 3HG PRO 33 -14.911 11.562 -3.186 250 HD2 PRO 33 2HD PRO 33 -13.351 11.733 -0.986 251 HD3 PRO 33 3HD PRO 33 -13.998 10.176 -1.548 252 H GLN 34 H GLN 34 -11.494 13.000 -2.704 253 HA GLN 34 HA GLN 34 -9.696 14.199 -4.500 254 HB2 GLN 34 2HB GLN 34 -10.302 14.888 -1.607 255 HB3 GLN 34 3HB GLN 34 -9.355 15.915 -2.665 256 HG2 GLN 34 2HG GLN 34 -12.251 15.151 -3.119 257 HG3 GLN 34 3HG GLN 34 -11.695 16.669 -2.419 258 HE21 GLN 34 1HE2 GLN 34 -11.956 14.799 -5.341 259 HE22 GLN 34 2HE2 GLN 34 -11.569 16.077 -6.438 260 H ALA 35 H ALA 35 -9.098 12.142 -1.714 261 HA ALA 35 HA ALA 35 -6.374 12.634 -1.384 262 HB1 ALA 35 3HB ALA 35 -6.232 10.441 -0.294 263 HB2 ALA 35 1HB ALA 35 -7.865 10.069 -0.868 264 HB3 ALA 35 2HB ALA 35 -7.607 11.395 0.275 265 H MET 36 H MET 36 -8.033 10.539 -3.695 266 HA MET 36 HA MET 36 -5.733 9.166 -4.664 267 HB2 MET 36 2HB MET 36 -8.068 8.401 -5.014 268 HB3 MET 36 3HB MET 36 -8.388 9.796 -6.029 269 HG2 MET 36 2HG MET 36 -6.724 8.937 -7.666 270 HG3 MET 36 3HG MET 36 -6.500 7.512 -6.650 271 HE1 MET 36 3HE MET 36 -9.958 9.402 -7.336 272 HE2 MET 36 1HE MET 36 -10.509 8.524 -8.763 273 HE3 MET 36 2HE MET 36 -9.079 9.551 -8.859 274 H LYS 37 H LYS 37 -7.150 12.296 -5.357 275 HA LYS 37 HA LYS 37 -5.633 12.805 -7.776 276 HB2 LYS 37 2HB LYS 37 -7.416 14.671 -6.156 277 HB3 LYS 37 3HB LYS 37 -6.756 15.005 -7.757 278 HG2 LYS 37 2HG LYS 37 -8.008 13.006 -8.628 279 HG3 LYS 37 3HG LYS 37 -8.763 12.858 -7.034 280 HD2 LYS 37 2HD LYS 37 -9.827 15.041 -7.277 281 HD3 LYS 37 3HD LYS 37 -8.946 15.352 -8.776 282 HE2 LYS 37 2HE LYS 37 -10.141 13.451 -9.841 283 HE3 LYS 37 3HE LYS 37 -11.063 13.218 -8.352 284 HZ1 LYS 37 3HZ LYS 37 -12.321 14.519 -9.929 285 HZ2 LYS 37 1HZ LYS 37 -11.082 15.659 -10.055 286 HZ3 LYS 37 2HZ LYS 37 -11.927 15.484 -8.605 287 H HIS 38 H HIS 38 -5.601 14.043 -4.414 288 HA HIS 38 HA HIS 38 -3.535 15.966 -4.962 289 HB2 HIS 38 2HB HIS 38 -3.505 16.521 -2.597 290 HB3 HIS 38 3HB HIS 38 -5.159 16.394 -3.160 291 HD1 HIS 38 HD1 HIS 38 -6.282 15.883 -0.994 292 HD2 HIS 38 HD2 HIS 38 -3.088 13.333 -1.699 293 HE1 HIS 38 HE1 HIS 38 -6.316 14.208 0.872 294 HE2 HIS 38 HE2 HIS 38 -4.262 12.820 0.533 295 H TYR 39 H TYR 39 -3.459 12.601 -4.158 296 HA TYR 39 HA TYR 39 -0.607 12.639 -3.575 297 HB2 TYR 39 2HB TYR 39 -2.549 10.331 -3.986 298 HB3 TYR 39 3HB TYR 39 -0.821 10.100 -3.708 299 HD1 TYR 39 HD2 TYR 39 -0.094 11.967 -1.624 300 HD2 TYR 39 HD1 TYR 39 -3.722 9.736 -1.981 301 HE1 TYR 39 HE2 TYR 39 -0.431 12.125 0.802 302 HE2 TYR 39 HE1 TYR 39 -4.060 9.913 0.455 303 HH TYR 39 HH TYR 39 -2.577 10.267 2.520 304 H THR 40 H THR 40 -2.613 12.382 -6.451 305 HA THR 40 HA THR 40 -0.630 11.361 -8.225 306 HB THR 40 HB THR 40 -2.990 13.188 -8.887 307 HG1 THR 40 HG1 THR 40 -3.118 10.799 -7.948 308 HG21 THR 40 3HG2 THR 40 -1.343 13.152 -10.738 309 HG22 THR 40 1HG2 THR 40 -2.801 12.264 -11.187 310 HG23 THR 40 2HG2 THR 40 -1.343 11.386 -10.715 311 H GLU 41 H GLU 41 -1.569 14.754 -7.407 312 HA GLU 41 HA GLU 41 0.460 16.056 -8.926 313 HB2 GLU 41 2HB GLU 41 -0.017 18.054 -7.552 314 HB3 GLU 41 3HB GLU 41 -1.509 17.280 -8.073 315 HG2 GLU 41 2HG GLU 41 -1.769 16.245 -5.859 316 HG3 GLU 41 3HG GLU 41 -0.257 16.973 -5.334 317 H ALA 42 H ALA 42 0.448 14.549 -5.767 318 HA ALA 42 HA ALA 42 2.929 15.570 -4.813 319 HB1 ALA 42 3HB ALA 42 1.456 13.059 -3.972 320 HB2 ALA 42 1HB ALA 42 1.201 14.675 -3.315 321 HB3 ALA 42 2HB ALA 42 2.750 13.864 -3.078 322 H ILE 43 H ILE 43 2.021 12.680 -6.686 323 HA ILE 43 HA ILE 43 4.505 11.351 -6.779 324 HB ILE 43 HB ILE 43 1.946 11.259 -8.322 325 HG12 ILE 43 2HG1 ILE 43 2.283 8.783 -8.146 326 HG13 ILE 43 3HG1 ILE 43 3.870 9.069 -7.449 327 HG21 ILE 43 1HG2 ILE 43 2.775 9.926 -10.231 328 HG22 ILE 43 2HG2 ILE 43 4.434 10.279 -9.744 329 HG23 ILE 43 3HG2 ILE 43 3.376 11.590 -10.269 330 HD11 ILE 43 3HD1 ILE 43 2.281 8.477 -5.751 331 HD12 ILE 43 1HD1 ILE 43 1.218 9.796 -6.238 332 HD13 ILE 43 2HD1 ILE 43 2.790 10.150 -5.519 333 H LYS 44 H LYS 44 3.217 14.054 -8.640 334 HA LYS 44 HA LYS 44 5.241 14.252 -10.628 335 HB2 LYS 44 2HB LYS 44 3.402 16.404 -9.513 336 HB3 LYS 44 3HB LYS 44 4.323 16.543 -11.008 337 HG2 LYS 44 2HG LYS 44 2.120 14.533 -10.461 338 HG3 LYS 44 3HG LYS 44 1.955 16.005 -11.423 339 HD2 LYS 44 2HD LYS 44 3.620 15.117 -13.045 340 HD3 LYS 44 3HD LYS 44 3.767 13.645 -12.079 341 HE2 LYS 44 2HE LYS 44 1.395 13.127 -12.496 342 HE3 LYS 44 3HE LYS 44 1.233 14.611 -13.442 343 HZ1 LYS 44 3HZ LYS 44 2.800 13.760 -15.040 344 HZ2 LYS 44 1HZ LYS 44 1.562 12.628 -14.826 345 HZ3 LYS 44 2HZ LYS 44 3.075 12.374 -14.112 346 H ARG 45 H ARG 45 5.170 15.166 -7.312 347 HA ARG 45 HA ARG 45 7.420 17.042 -7.500 348 HB2 ARG 45 2HB ARG 45 5.794 16.130 -5.084 349 HB3 ARG 45 3HB ARG 45 6.993 17.419 -5.095 350 HG2 ARG 45 2HG ARG 45 4.421 17.438 -6.688 351 HG3 ARG 45 3HG ARG 45 4.653 18.246 -5.140 352 HD2 ARG 45 2HD ARG 45 6.307 19.744 -6.108 353 HD3 ARG 45 3HD ARG 45 6.274 18.855 -7.636 354 HE ARG 45 HE ARG 45 3.765 20.052 -6.704 355 HH11 ARG 45 1HH1 ARG 45 6.515 20.281 -8.910 356 HH12 ARG 45 2HH1 ARG 45 5.711 21.413 -9.964 357 HH21 ARG 45 1HH2 ARG 45 2.742 21.533 -8.094 358 HH22 ARG 45 2HH2 ARG 45 3.582 22.116 -9.501 359 H ASN 46 H ASN 46 6.597 13.946 -5.888 360 HA ASN 46 HA ASN 46 9.472 13.265 -5.753 361 HB2 ASN 46 2HB ASN 46 8.894 11.937 -3.611 362 HB3 ASN 46 3HB ASN 46 9.051 13.675 -3.487 363 HD21 ASN 46 1HD2 ASN 46 6.155 11.944 -4.662 364 HD22 ASN 46 2HD2 ASN 46 5.151 12.464 -3.370 365 HA PRO 47 HA PRO 47 7.341 9.945 -8.193 366 HB2 PRO 47 2HB PRO 47 9.124 9.810 -10.246 367 HB3 PRO 47 3HB PRO 47 7.917 11.112 -10.152 368 HG2 PRO 47 2HG PRO 47 10.808 11.177 -9.336 369 HG3 PRO 47 3HG PRO 47 9.895 12.346 -10.316 370 HD2 PRO 47 2HD PRO 47 10.358 12.719 -7.654 371 HD3 PRO 47 3HD PRO 47 8.892 13.322 -8.462 372 H LYS 48 H LYS 48 10.077 10.118 -6.300 373 HA LYS 48 HA LYS 48 10.933 7.338 -6.760 374 HB2 LYS 48 2HB LYS 48 12.186 9.443 -4.935 375 HB3 LYS 48 3HB LYS 48 12.836 7.845 -5.274 376 HG2 LYS 48 2HG LYS 48 14.153 9.130 -6.667 377 HG3 LYS 48 3HG LYS 48 12.853 8.709 -7.785 378 HD2 LYS 48 2HD LYS 48 11.776 10.888 -7.386 379 HD3 LYS 48 3HD LYS 48 13.018 11.301 -6.202 380 HE2 LYS 48 2HE LYS 48 14.730 11.136 -8.025 381 HE3 LYS 48 3HE LYS 48 13.423 10.870 -9.179 382 HZ1 LYS 48 3HZ LYS 48 14.095 13.182 -9.159 383 HZ2 LYS 48 1HZ LYS 48 13.801 13.299 -7.500 384 HZ3 LYS 48 2HZ LYS 48 12.519 13.051 -8.570 385 H ASP 49 H ASP 49 8.885 9.193 -4.741 386 HA ASP 49 HA ASP 49 9.493 7.803 -2.269 387 HB2 ASP 49 2HB ASP 49 8.658 10.370 -2.746 388 HB3 ASP 49 3HB ASP 49 7.117 9.633 -2.341 389 H ALA 50 H ALA 50 8.836 5.781 -2.228 390 HA ALA 50 HA ALA 50 6.877 4.536 -3.730 391 HB1 ALA 50 3HB ALA 50 8.798 3.385 -2.726 392 HB2 ALA 50 1HB ALA 50 7.287 2.572 -2.320 393 HB3 ALA 50 2HB ALA 50 8.097 3.583 -1.119 394 H LYS 51 H LYS 51 6.611 5.681 -0.321 395 HA LYS 51 HA LYS 51 4.106 4.411 0.135 396 HB2 LYS 51 2HB LYS 51 3.989 5.388 2.243 397 HB3 LYS 51 3HB LYS 51 5.712 5.262 1.962 398 HG2 LYS 51 2HG LYS 51 4.203 7.839 1.485 399 HG3 LYS 51 3HG LYS 51 4.808 7.395 3.077 400 HD2 LYS 51 2HD LYS 51 6.538 7.691 0.596 401 HD3 LYS 51 3HD LYS 51 6.309 8.939 1.820 402 HE2 LYS 51 2HE LYS 51 7.270 7.348 3.524 403 HE3 LYS 51 3HE LYS 51 7.632 6.237 2.197 404 HZ1 LYS 51 3HZ LYS 51 9.543 7.632 2.813 405 HZ2 LYS 51 1HZ LYS 51 8.668 9.018 2.395 406 HZ3 LYS 51 2HZ LYS 51 9.068 7.888 1.213 407 H LEU 52 H LEU 52 4.934 7.449 -1.328 408 HA LEU 52 HA LEU 52 2.390 8.708 -1.169 409 HB2 LEU 52 2HB LEU 52 4.971 9.216 -2.567 410 HB3 LEU 52 3HB LEU 52 3.577 9.857 -3.408 411 HG LEU 52 HG LEU 52 4.617 11.554 -1.944 412 HD11 LEU 52 1HD1 LEU 52 1.854 10.777 -0.953 413 HD12 LEU 52 2HD1 LEU 52 2.213 11.725 -2.397 414 HD13 LEU 52 3HD1 LEU 52 2.617 12.366 -0.809 415 HD21 LEU 52 3HD2 LEU 52 3.869 9.784 0.409 416 HD22 LEU 52 1HD2 LEU 52 4.544 11.415 0.496 417 HD23 LEU 52 2HD2 LEU 52 5.505 10.100 -0.171 418 H TYR 53 H TYR 53 3.864 6.542 -3.525 419 HA TYR 53 HA TYR 53 1.668 6.393 -5.343 420 HB2 TYR 53 2HB TYR 53 3.924 4.433 -4.701 421 HB3 TYR 53 3HB TYR 53 2.723 4.135 -5.958 422 HD1 TYR 53 HD2 TYR 53 5.364 6.610 -4.924 423 HD2 TYR 53 HD1 TYR 53 3.052 5.006 -8.131 424 HE1 TYR 53 HE2 TYR 53 6.685 7.935 -6.531 425 HE2 TYR 53 HE1 TYR 53 4.352 6.323 -9.729 426 HH TYR 53 HH TYR 53 7.262 7.685 -9.071 427 H SER 54 H SER 54 2.687 4.402 -2.586 428 HA SER 54 HA SER 54 0.656 2.483 -2.573 429 HB2 SER 54 2HB SER 54 2.767 2.207 -1.379 430 HB3 SER 54 3HB SER 54 2.386 3.561 -0.315 431 HG SER 54 HG SER 54 0.585 1.432 -0.452 432 H ASN 55 H ASN 55 0.614 5.772 -1.444 433 HA ASN 55 HA ASN 55 -1.652 5.662 0.278 434 HB2 ASN 55 2HB ASN 55 -0.411 7.939 -1.311 435 HB3 ASN 55 3HB ASN 55 -1.801 8.168 -0.257 436 HD21 ASN 55 1HD2 ASN 55 0.810 9.370 -0.083 437 HD22 ASN 55 2HD2 ASN 55 1.437 8.952 1.472 438 H ARG 56 H ARG 56 -1.245 6.110 -3.199 439 HA ARG 56 HA ARG 56 -3.967 6.613 -3.869 440 HB2 ARG 56 2HB ARG 56 -1.890 5.285 -5.675 441 HB3 ARG 56 3HB ARG 56 -3.329 6.166 -6.180 442 HG2 ARG 56 2HG ARG 56 -2.348 8.277 -5.367 443 HG3 ARG 56 3HG ARG 56 -0.933 7.398 -4.781 444 HD2 ARG 56 2HD ARG 56 -1.794 7.777 -7.670 445 HD3 ARG 56 3HD ARG 56 -0.345 8.415 -6.888 446 HE ARG 56 HE ARG 56 -0.259 5.631 -6.670 447 HH11 ARG 56 1HH1 ARG 56 -0.085 8.004 -9.296 448 HH12 ARG 56 2HH1 ARG 56 0.851 6.952 -10.312 449 HH21 ARG 56 1HH2 ARG 56 0.822 4.263 -8.068 450 HH22 ARG 56 2HH2 ARG 56 1.366 4.834 -9.618 451 H ALA 57 H ALA 57 -1.995 3.619 -3.640 452 HA ALA 57 HA ALA 57 -3.991 1.722 -4.301 453 HB1 ALA 57 3HB ALA 57 -1.637 1.389 -2.400 454 HB2 ALA 57 1HB ALA 57 -1.612 1.121 -4.142 455 HB3 ALA 57 2HB ALA 57 -2.585 0.075 -3.107 456 H ALA 58 H ALA 58 -3.143 3.233 -1.213 457 HA ALA 58 HA ALA 58 -4.920 1.798 0.471 458 HB1 ALA 58 3HB ALA 58 -4.480 3.581 2.112 459 HB2 ALA 58 1HB ALA 58 -3.751 4.581 0.844 460 HB3 ALA 58 2HB ALA 58 -2.987 3.068 1.328 461 H CYS 59 H CYS 59 -5.304 4.665 -1.549 462 HA CYS 59 HA CYS 59 -7.971 5.296 -0.748 463 HB2 CYS 59 2HB CYS 59 -6.519 5.877 -3.366 464 HB3 CYS 59 3HB CYS 59 -8.052 6.594 -2.881 465 HG CYS 59 HG CYS 59 -5.521 7.001 -0.703 466 H TYR 60 H TYR 60 -6.585 3.390 -3.455 467 HA TYR 60 HA TYR 60 -8.949 2.765 -4.814 468 HB2 TYR 60 2HB TYR 60 -6.308 1.256 -4.721 469 HB3 TYR 60 3HB TYR 60 -7.613 0.856 -5.832 470 HD1 TYR 60 HD1 TYR 60 -8.462 3.767 -6.510 471 HD2 TYR 60 HD2 TYR 60 -4.648 1.840 -6.339 472 HE1 TYR 60 HE1 TYR 60 -7.593 5.321 -8.206 473 HE2 TYR 60 HE2 TYR 60 -3.788 3.397 -8.029 474 HH TYR 60 HH TYR 60 -4.592 4.867 -9.796 475 H THR 61 H THR 61 -7.324 0.968 -2.203 476 HA THR 61 HA THR 61 -9.009 -1.284 -2.117 477 HB THR 61 HB THR 61 -8.303 -1.406 0.351 478 HG1 THR 61 HG1 THR 61 -7.858 0.631 0.969 479 HG21 THR 61 3HG2 THR 61 -5.945 -1.918 -0.116 480 HG22 THR 61 1HG2 THR 61 -6.042 -1.050 -1.648 481 HG23 THR 61 2HG2 THR 61 -6.973 -2.532 -1.415 482 H LYS 62 H LYS 62 -9.255 1.940 -0.592 483 HA LYS 62 HA LYS 62 -11.560 1.391 1.012 484 HB2 LYS 62 2HB LYS 62 -9.785 3.159 1.465 485 HB3 LYS 62 3HB LYS 62 -10.435 4.087 0.116 486 HG2 LYS 62 2HG LYS 62 -11.280 4.967 2.223 487 HG3 LYS 62 3HG LYS 62 -12.611 4.255 1.301 488 HD2 LYS 62 2HD LYS 62 -12.383 2.170 2.681 489 HD3 LYS 62 3HD LYS 62 -11.142 2.975 3.642 490 HE2 LYS 62 2HE LYS 62 -12.823 4.703 4.295 491 HE3 LYS 62 3HE LYS 62 -14.052 3.810 3.390 492 HZ1 LYS 62 3HZ LYS 62 -14.140 3.252 5.721 493 HZ2 LYS 62 1HZ LYS 62 -12.517 2.793 5.724 494 HZ3 LYS 62 2HZ LYS 62 -13.648 1.897 4.844 495 H LEU 63 H LEU 63 -11.011 2.385 -2.241 496 HA LEU 63 HA LEU 63 -13.758 3.258 -2.735 497 HB2 LEU 63 2HB LEU 63 -11.372 3.043 -4.633 498 HB3 LEU 63 3HB LEU 63 -12.918 3.793 -4.999 499 HG LEU 63 HG LEU 63 -10.892 4.803 -2.970 500 HD11 LEU 63 1HD1 LEU 63 -10.605 6.714 -4.485 501 HD12 LEU 63 2HD1 LEU 63 -11.682 5.954 -5.661 502 HD13 LEU 63 3HD1 LEU 63 -10.145 5.192 -5.245 503 HD21 LEU 63 3HD2 LEU 63 -13.110 5.292 -2.151 504 HD22 LEU 63 1HD2 LEU 63 -13.584 5.978 -3.711 505 HD23 LEU 63 2HD2 LEU 63 -12.354 6.776 -2.725 506 H LEU 64 H LEU 64 -12.206 0.316 -2.481 507 HA LEU 64 HA LEU 64 -12.728 -1.809 -2.969 508 HB2 LEU 64 2HB LEU 64 -15.241 -0.599 -4.143 509 HB3 LEU 64 3HB LEU 64 -14.936 -2.319 -4.252 510 HG LEU 64 HG LEU 64 -16.473 -1.889 -2.420 511 HD11 LEU 64 1HD1 LEU 64 -15.368 -3.032 -0.590 512 HD12 LEU 64 2HD1 LEU 64 -13.782 -2.655 -1.260 513 HD13 LEU 64 3HD1 LEU 64 -14.873 -3.733 -2.130 514 HD21 LEU 64 3HD2 LEU 64 -15.929 -0.552 -0.434 515 HD22 LEU 64 1HD2 LEU 64 -15.904 0.442 -1.892 516 HD23 LEU 64 2HD2 LEU 64 -14.388 -0.077 -1.156 517 H GLU 65 H GLU 65 -11.575 0.279 -5.036 518 HA GLU 65 HA GLU 65 -11.497 -1.335 -7.457 519 HB2 GLU 65 2HB GLU 65 -10.481 1.407 -6.671 520 HB3 GLU 65 3HB GLU 65 -9.742 0.597 -8.045 521 HG2 GLU 65 2HG GLU 65 -11.418 2.086 -8.884 522 HG3 GLU 65 3HG GLU 65 -11.979 0.441 -9.128 523 H PHE 66 H PHE 66 -10.621 -2.986 -5.644 524 HA PHE 66 HA PHE 66 -7.959 -2.887 -4.764 525 HB2 PHE 66 2HB PHE 66 -9.863 -5.204 -5.203 526 HB3 PHE 66 3HB PHE 66 -8.230 -5.466 -4.612 527 HD1 PHE 66 HD2 PHE 66 -11.514 -3.909 -3.783 528 HD2 PHE 66 HD1 PHE 66 -7.667 -5.064 -2.324 529 HE1 PHE 66 HE2 PHE 66 -12.278 -3.585 -1.468 530 HE2 PHE 66 HE1 PHE 66 -8.444 -4.734 -0.012 531 HZ PHE 66 HZ PHE 66 -10.754 -3.992 0.417 532 H GLN 67 H GLN 67 -9.273 -3.889 -7.885 533 HA GLN 67 HA GLN 67 -7.069 -5.271 -8.977 534 HB2 GLN 67 2HB GLN 67 -9.056 -3.415 -10.354 535 HB3 GLN 67 3HB GLN 67 -7.953 -4.483 -11.211 536 HG2 GLN 67 2HG GLN 67 -10.080 -5.449 -9.284 537 HG3 GLN 67 3HG GLN 67 -10.316 -5.293 -11.023 538 HE21 GLN 67 1HE2 GLN 67 -8.566 -7.037 -8.525 539 HE22 GLN 67 2HE2 GLN 67 -8.167 -8.408 -9.491 540 H LEU 68 H LEU 68 -7.771 -1.813 -8.633 541 HA LEU 68 HA LEU 68 -5.469 -0.932 -10.150 542 HB2 LEU 68 2HB LEU 68 -7.261 0.676 -8.290 543 HB3 LEU 68 3HB LEU 68 -6.091 1.335 -9.422 544 HG LEU 68 HG LEU 68 -8.751 0.016 -10.042 545 HD11 LEU 68 1HD1 LEU 68 -8.863 2.367 -9.459 546 HD12 LEU 68 2HD1 LEU 68 -9.210 2.168 -11.176 547 HD13 LEU 68 3HD1 LEU 68 -7.629 2.768 -10.659 548 HD21 LEU 68 3HD2 LEU 68 -7.208 -0.926 -11.666 549 HD22 LEU 68 1HD2 LEU 68 -6.577 0.682 -12.059 550 HD23 LEU 68 2HD2 LEU 68 -8.247 0.260 -12.451 551 H ALA 69 H ALA 69 -6.330 -1.464 -6.780 552 HA ALA 69 HA ALA 69 -4.047 -0.323 -5.537 553 HB1 ALA 69 3HB ALA 69 -4.712 -1.614 -3.554 554 HB2 ALA 69 1HB ALA 69 -5.827 -2.580 -4.533 555 HB3 ALA 69 2HB ALA 69 -6.118 -0.856 -4.298 556 H LEU 70 H LEU 70 -4.661 -3.526 -6.942 557 HA LEU 70 HA LEU 70 -2.303 -4.853 -6.136 558 HB2 LEU 70 2HB LEU 70 -3.933 -5.182 -8.693 559 HB3 LEU 70 3HB LEU 70 -2.652 -6.277 -8.205 560 HG LEU 70 HG LEU 70 -5.235 -5.835 -6.659 561 HD11 LEU 70 1HD1 LEU 70 -4.445 -8.154 -8.446 562 HD12 LEU 70 2HD1 LEU 70 -5.673 -6.933 -8.795 563 HD13 LEU 70 3HD1 LEU 70 -5.906 -8.055 -7.457 564 HD21 LEU 70 3HD2 LEU 70 -3.055 -7.899 -6.214 565 HD22 LEU 70 1HD2 LEU 70 -4.582 -7.784 -5.335 566 HD23 LEU 70 2HD2 LEU 70 -3.386 -6.499 -5.189 567 H LYS 71 H LYS 71 -3.001 -3.251 -9.280 568 HA LYS 71 HA LYS 71 -0.372 -3.507 -10.293 569 HB2 LYS 71 2HB LYS 71 -1.090 -2.024 -12.126 570 HB3 LYS 71 3HB LYS 71 -2.291 -3.263 -11.787 571 HG2 LYS 71 2HG LYS 71 -3.584 -1.533 -10.462 572 HG3 LYS 71 3HG LYS 71 -2.425 -0.331 -11.034 573 HD2 LYS 71 2HD LYS 71 -4.420 -0.246 -12.428 574 HD3 LYS 71 3HD LYS 71 -3.070 -0.851 -13.389 575 HE2 LYS 71 2HE LYS 71 -3.929 -3.175 -13.038 576 HE3 LYS 71 3HE LYS 71 -5.309 -2.504 -12.167 577 HZ1 LYS 71 3HZ LYS 71 -5.999 -1.354 -14.159 578 HZ2 LYS 71 1HZ LYS 71 -5.817 -2.997 -14.500 579 HZ3 LYS 71 2HZ LYS 71 -4.641 -1.895 -15.008 580 H ASP 72 H ASP 72 -1.891 -0.930 -8.439 581 HA ASP 72 HA ASP 72 0.078 1.094 -8.734 582 HB2 ASP 72 2HB ASP 72 -2.224 1.472 -7.799 583 HB3 ASP 72 3HB ASP 72 -1.787 0.559 -6.362 584 H CYS 73 H CYS 73 -0.361 -1.492 -6.310 585 HA CYS 73 HA CYS 73 2.024 -0.910 -4.838 586 HB2 CYS 73 2HB CYS 73 0.140 -2.151 -3.838 587 HB3 CYS 73 3HB CYS 73 0.404 -3.488 -4.956 588 HG CYS 73 HG CYS 73 3.260 -3.350 -3.732 589 H GLU 74 H GLU 74 1.306 -2.805 -7.704 590 HA GLU 74 HA GLU 74 3.706 -4.366 -7.751 591 HB2 GLU 74 2HB GLU 74 1.655 -3.738 -9.912 592 HB3 GLU 74 3HB GLU 74 3.051 -4.775 -10.197 593 HG2 GLU 74 2HG GLU 74 2.285 -6.316 -8.424 594 HG3 GLU 74 3HG GLU 74 0.892 -5.282 -8.124 595 H GLU 75 H GLU 75 2.896 -1.131 -8.978 596 HA GLU 75 HA GLU 75 5.500 -0.915 -10.286 597 HB2 GLU 75 2HB GLU 75 4.906 1.404 -10.791 598 HB3 GLU 75 3HB GLU 75 3.632 0.297 -11.285 599 HG2 GLU 75 2HG GLU 75 2.299 0.931 -9.318 600 HG3 GLU 75 3HG GLU 75 3.587 2.006 -8.783 601 H CYS 76 H CYS 76 3.968 0.150 -7.276 602 HA CYS 76 HA CYS 76 5.946 1.820 -6.218 603 HB2 CYS 76 2HB CYS 76 3.712 1.669 -5.227 604 HB3 CYS 76 3HB CYS 76 3.999 -0.002 -4.748 605 HG CYS 76 HG CYS 76 6.387 1.255 -3.241 606 H ILE 77 H ILE 77 5.713 -1.696 -6.167 607 HA ILE 77 HA ILE 77 7.959 -2.091 -4.390 608 HB ILE 77 HB ILE 77 5.938 -3.626 -4.588 609 HG12 ILE 77 2HG1 ILE 77 8.279 -4.289 -3.558 610 HG13 ILE 77 3HG1 ILE 77 7.056 -5.521 -3.811 611 HG21 ILE 77 1HG2 ILE 77 5.748 -3.757 -7.002 612 HG22 ILE 77 2HG2 ILE 77 5.923 -5.372 -6.320 613 HG23 ILE 77 3HG2 ILE 77 7.291 -4.599 -7.113 614 HD11 ILE 77 3HD1 ILE 77 9.264 -6.314 -4.394 615 HD12 ILE 77 1HD1 ILE 77 9.452 -5.026 -5.581 616 HD13 ILE 77 2HD1 ILE 77 8.232 -6.279 -5.821 617 H GLN 78 H GLN 78 7.552 -1.619 -7.847 618 HA GLN 78 HA GLN 78 10.175 -2.731 -8.526 619 HB2 GLN 78 2HB GLN 78 8.211 -1.087 -10.195 620 HB3 GLN 78 3HB GLN 78 9.727 -1.743 -10.806 621 HG2 GLN 78 2HG GLN 78 7.338 -3.322 -9.826 622 HG3 GLN 78 3HG GLN 78 7.888 -3.167 -11.489 623 HE21 GLN 78 1HE2 GLN 78 8.476 -4.688 -8.417 624 HE22 GLN 78 2HE2 GLN 78 9.589 -5.870 -8.987 625 H LEU 79 H LEU 79 8.799 0.332 -7.590 626 HA LEU 79 HA LEU 79 11.081 1.988 -8.144 627 HB2 LEU 79 2HB LEU 79 8.824 2.352 -6.118 628 HB3 LEU 79 3HB LEU 79 9.970 3.600 -6.592 629 HG LEU 79 HG LEU 79 7.963 2.314 -8.482 630 HD11 LEU 79 1HD1 LEU 79 6.712 4.413 -8.305 631 HD12 LEU 79 2HD1 LEU 79 7.854 5.011 -7.097 632 HD13 LEU 79 3HD1 LEU 79 6.836 3.613 -6.739 633 HD21 LEU 79 3HD2 LEU 79 9.792 4.709 -8.864 634 HD22 LEU 79 1HD2 LEU 79 8.568 4.149 -10.008 635 HD23 LEU 79 2HD2 LEU 79 9.959 3.133 -9.641 636 H GLU 80 H GLU 80 9.730 0.495 -5.235 637 HA GLU 80 HA GLU 80 12.375 0.377 -3.951 638 HB2 GLU 80 2HB GLU 80 11.185 2.439 -3.147 639 HB3 GLU 80 3HB GLU 80 9.853 1.430 -2.591 640 HG2 GLU 80 2HG GLU 80 11.234 2.012 -0.706 641 HG3 GLU 80 3HG GLU 80 11.410 0.287 -1.019 642 HA PRO 81 HA PRO 81 10.329 -3.755 -3.531 643 HB2 PRO 81 2HB PRO 81 12.643 -5.231 -3.552 644 HB3 PRO 81 3HB PRO 81 11.874 -4.630 -5.034 645 HG2 PRO 81 2HG PRO 81 14.190 -3.465 -3.524 646 HG3 PRO 81 3HG PRO 81 14.001 -3.718 -5.274 647 HD2 PRO 81 2HD PRO 81 13.591 -1.293 -4.111 648 HD3 PRO 81 3HD PRO 81 12.674 -1.820 -5.545 649 H THR 82 H THR 82 12.621 -2.046 -1.542 650 HA THR 82 HA THR 82 12.165 -3.890 0.723 651 HB THR 82 HB THR 82 13.847 -2.530 1.930 652 HG1 THR 82 HG1 THR 82 14.552 -1.137 -0.405 653 HG21 THR 82 3HG2 THR 82 14.839 -3.419 -0.812 654 HG22 THR 82 1HG2 THR 82 14.635 -4.464 0.600 655 HG23 THR 82 2HG2 THR 82 15.838 -3.177 0.621 656 H PHE 83 H PHE 83 10.288 -1.682 -0.633 657 HA PHE 83 HA PHE 83 9.525 -0.131 1.668 658 HB2 PHE 83 2HB PHE 83 9.039 0.720 -0.619 659 HB3 PHE 83 3HB PHE 83 7.919 -0.619 -0.877 660 HD1 PHE 83 HD2 PHE 83 8.529 1.834 1.920 661 HD2 PHE 83 HD1 PHE 83 5.669 0.104 -0.745 662 HE1 PHE 83 HE2 PHE 83 6.733 3.099 3.022 663 HE2 PHE 83 HE1 PHE 83 3.883 1.372 0.369 664 HZ PHE 83 HZ PHE 83 4.406 2.862 2.251 665 H ILE 84 H ILE 84 9.019 -1.292 3.331 666 HA ILE 84 HA ILE 84 8.204 -3.965 3.410 667 HB ILE 84 HB ILE 84 8.282 -1.770 5.520 668 HG12 ILE 84 2HG1 ILE 84 10.218 -4.035 4.868 669 HG13 ILE 84 3HG1 ILE 84 10.464 -2.329 4.512 670 HG21 ILE 84 1HG2 ILE 84 8.211 -3.523 7.254 671 HG22 ILE 84 2HG2 ILE 84 7.889 -4.732 6.011 672 HG23 ILE 84 3HG2 ILE 84 6.714 -3.452 6.321 673 HD11 ILE 84 3HD1 ILE 84 11.756 -3.023 6.422 674 HD12 ILE 84 1HD1 ILE 84 10.298 -3.579 7.247 675 HD13 ILE 84 2HD1 ILE 84 10.528 -1.856 6.914 676 H LYS 85 H LYS 85 6.316 -1.008 4.124 677 HA LYS 85 HA LYS 85 3.949 -2.582 4.753 678 HB2 LYS 85 2HB LYS 85 4.432 0.424 4.817 679 HB3 LYS 85 3HB LYS 85 2.973 -0.383 5.405 680 HG2 LYS 85 2HG LYS 85 4.272 -1.614 7.078 681 HG3 LYS 85 3HG LYS 85 5.775 -0.930 6.452 682 HD2 LYS 85 2HD LYS 85 5.006 1.333 7.134 683 HD3 LYS 85 3HD LYS 85 3.535 0.619 7.808 684 HE2 LYS 85 2HE LYS 85 6.372 0.018 8.717 685 HE3 LYS 85 3HE LYS 85 5.219 1.048 9.551 686 HZ1 LYS 85 3HZ LYS 85 3.772 -0.905 9.804 687 HZ2 LYS 85 1HZ LYS 85 5.262 -1.093 10.576 688 HZ3 LYS 85 2HZ LYS 85 4.966 -1.872 9.106 689 H GLY 86 H GLY 86 5.260 -1.507 1.878 690 HA2 GLY 86 2HA GLY 86 2.818 -1.249 0.361 691 HA3 GLY 86 3HA GLY 86 4.410 -1.666 -0.275 692 H TYR 87 H TYR 87 4.896 -3.878 1.423 693 HA TYR 87 HA TYR 87 3.562 -6.051 0.205 694 HB2 TYR 87 2HB TYR 87 5.216 -5.872 2.761 695 HB3 TYR 87 3HB TYR 87 4.572 -7.393 2.160 696 HD1 TYR 87 HD2 TYR 87 6.471 -4.479 0.659 697 HD2 TYR 87 HD1 TYR 87 6.155 -8.704 1.098 698 HE1 TYR 87 HE2 TYR 87 8.456 -4.771 -0.766 699 HE2 TYR 87 HE1 TYR 87 8.124 -9.007 -0.329 700 HH TYR 87 HH TYR 87 10.237 -6.534 -1.126 701 H THR 88 H THR 88 2.947 -4.259 3.198 702 HA THR 88 HA THR 88 0.912 -5.917 4.256 703 HB THR 88 HB THR 88 1.253 -2.907 4.690 704 HG1 THR 88 HG1 THR 88 2.442 -3.792 6.612 705 HG21 THR 88 3HG2 THR 88 0.235 -3.363 6.913 706 HG22 THR 88 1HG2 THR 88 -0.012 -5.049 6.452 707 HG23 THR 88 2HG2 THR 88 -0.884 -3.766 5.609 708 H ARG 89 H ARG 89 0.818 -3.139 1.988 709 HA ARG 89 HA ARG 89 -2.014 -2.953 1.676 710 HB2 ARG 89 2HB ARG 89 -0.009 -2.368 -0.546 711 HB3 ARG 89 3HB ARG 89 -1.604 -1.664 -0.337 712 HG2 ARG 89 2HG ARG 89 0.819 -1.146 1.391 713 HG3 ARG 89 3HG ARG 89 0.196 -0.080 0.137 714 HD2 ARG 89 2HD ARG 89 -1.896 0.204 1.458 715 HD3 ARG 89 3HD ARG 89 -1.202 -0.814 2.730 716 HE ARG 89 HE ARG 89 0.101 1.695 1.846 717 HH11 ARG 89 1HH1 ARG 89 -1.171 -0.287 4.468 718 HH12 ARG 89 2HH1 ARG 89 -0.582 0.765 5.713 719 HH21 ARG 89 1HH2 ARG 89 0.844 3.077 3.456 720 HH22 ARG 89 2HH2 ARG 89 0.569 2.687 5.128 721 H LYS 90 H LYS 90 0.511 -4.741 0.008 722 HA LYS 90 HA LYS 90 -0.954 -5.657 -2.206 723 HB2 LYS 90 2HB LYS 90 1.593 -5.476 -1.975 724 HB3 LYS 90 3HB LYS 90 1.537 -6.956 -1.025 725 HG2 LYS 90 2HG LYS 90 2.180 -7.382 -3.371 726 HG3 LYS 90 3HG LYS 90 0.668 -8.198 -2.954 727 HD2 LYS 90 2HD LYS 90 -0.643 -6.552 -4.140 728 HD3 LYS 90 3HD LYS 90 0.760 -5.502 -4.368 729 HE2 LYS 90 2HE LYS 90 0.146 -6.719 -6.431 730 HE3 LYS 90 3HE LYS 90 1.769 -7.136 -5.884 731 HZ1 LYS 90 3HZ LYS 90 0.569 -9.080 -6.583 732 HZ2 LYS 90 1HZ LYS 90 -0.683 -8.763 -5.495 733 HZ3 LYS 90 2HZ LYS 90 0.853 -9.167 -4.921 734 H ALA 91 H ALA 91 0.042 -7.332 0.785 735 HA ALA 91 HA ALA 91 -1.151 -9.829 0.261 736 HB1 ALA 91 3HB ALA 91 -0.816 -10.281 2.653 737 HB2 ALA 91 1HB ALA 91 -0.519 -8.559 2.956 738 HB3 ALA 91 2HB ALA 91 0.598 -9.494 1.962 739 H ALA 92 H ALA 92 -2.413 -6.918 1.849 740 HA ALA 92 HA ALA 92 -4.864 -7.941 2.823 741 HB1 ALA 92 3HB ALA 92 -3.908 -5.801 3.569 742 HB2 ALA 92 1HB ALA 92 -5.558 -5.585 2.986 743 HB3 ALA 92 2HB ALA 92 -4.191 -5.104 1.973 744 H ALA 93 H ALA 93 -4.017 -6.366 -0.254 745 HA ALA 93 HA ALA 93 -6.606 -6.448 -1.424 746 HB1 ALA 93 3HB ALA 93 -5.446 -5.948 -3.533 747 HB2 ALA 93 1HB ALA 93 -3.888 -6.312 -2.773 748 HB3 ALA 93 2HB ALA 93 -4.842 -4.935 -2.221 749 H LEU 94 H LEU 94 -3.807 -8.639 -1.585 750 HA LEU 94 HA LEU 94 -4.756 -10.510 -3.449 751 HB2 LEU 94 2HB LEU 94 -2.783 -10.838 -1.156 752 HB3 LEU 94 3HB LEU 94 -3.065 -12.079 -2.368 753 HG LEU 94 HG LEU 94 -1.979 -9.296 -2.949 754 HD11 LEU 94 1HD1 LEU 94 -0.503 -11.941 -2.855 755 HD12 LEU 94 2HD1 LEU 94 -0.358 -10.613 -1.701 756 HD13 LEU 94 3HD1 LEU 94 0.172 -10.389 -3.366 757 HD21 LEU 94 3HD2 LEU 94 -3.239 -10.172 -4.849 758 HD22 LEU 94 1HD2 LEU 94 -2.292 -11.664 -4.818 759 HD23 LEU 94 2HD2 LEU 94 -1.517 -10.127 -5.205 760 H GLU 95 H GLU 95 -5.178 -10.303 0.064 761 HA GLU 95 HA GLU 95 -6.512 -12.759 0.520 762 HB2 GLU 95 2HB GLU 95 -5.572 -11.386 2.325 763 HB3 GLU 95 3HB GLU 95 -6.710 -10.088 1.981 764 HG2 GLU 95 2HG GLU 95 -8.574 -11.642 2.655 765 HG3 GLU 95 3HG GLU 95 -7.356 -12.835 3.104 766 H ALA 96 H ALA 96 -7.615 -9.660 -0.751 767 HA ALA 96 HA ALA 96 -10.456 -10.400 -0.733 768 HB1 ALA 96 3HB ALA 96 -9.071 -7.945 -1.894 769 HB2 ALA 96 1HB ALA 96 -9.821 -8.048 -0.300 770 HB3 ALA 96 2HB ALA 96 -10.815 -8.184 -1.752 771 H MET 97 H MET 97 -7.807 -11.190 -2.632 772 HA MET 97 HA MET 97 -9.407 -11.486 -5.130 773 HB2 MET 97 2HB MET 97 -6.412 -11.000 -4.730 774 HB3 MET 97 3HB MET 97 -7.115 -11.487 -6.270 775 HG2 MET 97 2HG MET 97 -7.752 -8.960 -4.748 776 HG3 MET 97 3HG MET 97 -6.802 -9.085 -6.236 777 HE1 MET 97 3HE MET 97 -10.599 -7.509 -6.793 778 HE2 MET 97 1HE MET 97 -8.913 -7.007 -6.661 779 HE3 MET 97 2HE MET 97 -9.777 -7.578 -5.231 780 H LYS 98 H LYS 98 -8.571 -13.232 -2.566 781 HA LYS 98 HA LYS 98 -8.537 -15.439 -2.068 782 HB2 LYS 98 2HB LYS 98 -8.934 -15.954 -5.040 783 HB3 LYS 98 3HB LYS 98 -9.140 -17.142 -3.764 784 HG2 LYS 98 2HG LYS 98 -10.841 -14.648 -4.113 785 HG3 LYS 98 3HG LYS 98 -11.298 -16.267 -4.639 786 HD2 LYS 98 2HD LYS 98 -10.800 -15.401 -1.766 787 HD3 LYS 98 3HD LYS 98 -12.379 -15.671 -2.503 788 HE2 LYS 98 2HE LYS 98 -10.235 -17.769 -2.018 789 HE3 LYS 98 3HE LYS 98 -11.752 -17.596 -1.139 790 HZ1 LYS 98 3HZ LYS 98 -12.941 -18.091 -3.199 791 HZ2 LYS 98 1HZ LYS 98 -11.903 -19.347 -2.762 792 HZ3 LYS 98 2HZ LYS 98 -11.472 -18.303 -4.009 793 H ASP 99 H ASP 99 -6.137 -13.898 -3.368 794 HA ASP 99 HA ASP 99 -4.349 -16.032 -4.212 795 HB2 ASP 99 2HB ASP 99 -4.091 -13.000 -4.037 796 HB3 ASP 99 3HB ASP 99 -2.698 -14.012 -4.374 797 H TYR 100 H TYR 100 -5.236 -16.279 -1.520 798 HA TYR 100 HA TYR 100 -3.601 -15.372 0.517 799 HB2 TYR 100 2HB TYR 100 -4.649 -18.231 0.388 800 HB3 TYR 100 3HB TYR 100 -4.401 -17.235 1.819 801 HD1 TYR 100 HD1 TYR 100 -5.805 -14.838 1.576 802 HD2 TYR 100 HD2 TYR 100 -6.887 -18.600 -0.129 803 HE1 TYR 100 HE1 TYR 100 -8.149 -14.143 1.485 804 HE2 TYR 100 HE2 TYR 100 -9.230 -17.899 -0.204 805 HH TYR 100 HH TYR 100 -10.207 -14.660 0.372 806 H THR 101 H THR 101 -3.021 -17.916 -1.794 807 HA THR 101 HA THR 101 -0.758 -19.200 -0.755 808 HB THR 101 HB THR 101 -0.346 -19.829 -3.183 809 HG1 THR 101 HG1 THR 101 -1.958 -19.086 -4.693 810 HG21 THR 101 3HG2 THR 101 -3.217 -20.126 -2.217 811 HG22 THR 101 1HG2 THR 101 -1.871 -21.191 -1.811 812 HG23 THR 101 2HG2 THR 101 -2.452 -21.104 -3.475 813 H LYS 102 H LYS 102 -1.104 -16.286 -2.826 814 HA LYS 102 HA LYS 102 1.747 -15.800 -3.059 815 HB2 LYS 102 2HB LYS 102 -0.375 -13.649 -3.486 816 HB3 LYS 102 3HB LYS 102 1.186 -13.822 -4.287 817 HG2 LYS 102 2HG LYS 102 -1.220 -15.597 -4.664 818 HG3 LYS 102 3HG LYS 102 -0.696 -14.342 -5.782 819 HD2 LYS 102 2HD LYS 102 1.192 -15.603 -6.488 820 HD3 LYS 102 3HD LYS 102 1.131 -16.668 -5.076 821 HE2 LYS 102 2HE LYS 102 0.342 -17.764 -7.161 822 HE3 LYS 102 3HE LYS 102 -0.884 -17.742 -5.912 823 HZ1 LYS 102 3HZ LYS 102 -1.926 -15.868 -7.023 824 HZ2 LYS 102 1HZ LYS 102 -1.811 -17.193 -8.063 825 HZ3 LYS 102 2HZ LYS 102 -0.745 -15.890 -8.233 826 H ALA 103 H ALA 103 -0.934 -14.591 -1.126 827 HA ALA 103 HA ALA 103 0.246 -12.347 0.034 828 HB1 ALA 103 3HB ALA 103 -2.002 -14.044 1.169 829 HB2 ALA 103 1HB ALA 103 -2.185 -12.749 -0.016 830 HB3 ALA 103 2HB ALA 103 -1.615 -12.378 1.613 831 H MET 104 H MET 104 0.142 -15.717 1.184 832 HA MET 104 HA MET 104 1.274 -15.259 3.745 833 HB2 MET 104 2HB MET 104 1.630 -17.665 3.871 834 HB3 MET 104 3HB MET 104 0.048 -17.323 3.196 835 HG2 MET 104 2HG MET 104 0.853 -17.880 0.960 836 HG3 MET 104 3HG MET 104 2.478 -18.142 1.596 837 HE1 MET 104 3HE MET 104 -0.827 -19.220 3.538 838 HE2 MET 104 1HE MET 104 -1.090 -20.824 2.858 839 HE3 MET 104 2HE MET 104 -1.297 -19.395 1.846 840 H ASP 105 H ASP 105 2.741 -15.661 0.590 841 HA ASP 105 HA ASP 105 5.454 -15.819 1.611 842 HB2 ASP 105 2HB ASP 105 4.341 -15.448 -1.199 843 HB3 ASP 105 3HB ASP 105 6.068 -15.468 -0.849 844 H VAL 106 H VAL 106 3.175 -13.303 0.833 845 HA VAL 106 HA VAL 106 5.175 -11.204 0.416 846 HB VAL 106 HB VAL 106 2.112 -11.080 0.666 847 HG11 VAL 106 1HG1 VAL 106 2.274 -8.767 -0.198 848 HG12 VAL 106 2HG1 VAL 106 4.035 -8.856 -0.118 849 HG13 VAL 106 3HG1 VAL 106 3.081 -8.926 1.365 850 HG21 VAL 106 3HG2 VAL 106 2.934 -12.246 -1.364 851 HG22 VAL 106 1HG2 VAL 106 3.906 -10.836 -1.784 852 HG23 VAL 106 2HG2 VAL 106 2.144 -10.725 -1.777 853 H TYR 107 H TYR 107 3.044 -12.377 2.949 854 HA TYR 107 HA TYR 107 3.617 -10.475 4.983 855 HB2 TYR 107 2HB TYR 107 1.816 -11.621 5.852 856 HB3 TYR 107 3HB TYR 107 2.007 -12.924 4.693 857 HD1 TYR 107 HD2 TYR 107 2.773 -11.818 8.148 858 HD2 TYR 107 HD1 TYR 107 3.158 -15.005 5.342 859 HE1 TYR 107 HE2 TYR 107 3.487 -13.333 9.935 860 HE2 TYR 107 HE1 TYR 107 3.873 -16.514 7.136 861 HH TYR 107 HH TYR 107 3.621 -15.655 10.441 862 H GLN 108 H GLN 108 4.976 -13.596 4.044 863 HA GLN 108 HA GLN 108 6.829 -13.997 6.120 864 HB2 GLN 108 2HB GLN 108 5.983 -15.660 4.322 865 HB3 GLN 108 3HB GLN 108 7.168 -14.950 3.242 866 HG2 GLN 108 2HG GLN 108 7.935 -16.198 5.887 867 HG3 GLN 108 3HG GLN 108 7.786 -17.144 4.411 868 HE21 GLN 108 1HE2 GLN 108 9.629 -14.693 6.065 869 HE22 GLN 108 2HE2 GLN 108 11.024 -14.764 5.042 870 H LYS 109 H LYS 109 7.212 -12.637 2.834 871 HA LYS 109 HA LYS 109 9.830 -11.716 3.074 872 HB2 LYS 109 2HB LYS 109 7.519 -10.851 1.307 873 HB3 LYS 109 3HB LYS 109 9.102 -10.089 1.184 874 HG2 LYS 109 2HG LYS 109 8.496 -13.025 0.760 875 HG3 LYS 109 3HG LYS 109 8.825 -11.837 -0.502 876 HD2 LYS 109 2HD LYS 109 10.780 -12.744 1.647 877 HD3 LYS 109 3HD LYS 109 10.788 -13.232 -0.043 878 HE2 LYS 109 2HE LYS 109 11.212 -10.881 -0.724 879 HE3 LYS 109 3HE LYS 109 11.208 -10.401 0.977 880 HZ1 LYS 109 3HZ LYS 109 13.111 -11.888 1.325 881 HZ2 LYS 109 1HZ LYS 109 13.450 -10.665 0.211 882 HZ3 LYS 109 2HZ LYS 109 13.144 -12.240 -0.327 883 H ALA 110 H ALA 110 6.778 -10.117 4.022 884 HA ALA 110 HA ALA 110 7.841 -7.573 4.636 885 HB1 ALA 110 3HB ALA 110 5.414 -8.027 4.562 886 HB2 ALA 110 1HB ALA 110 5.882 -7.265 6.084 887 HB3 ALA 110 2HB ALA 110 5.546 -8.999 6.029 888 H LEU 111 H LEU 111 7.450 -10.475 6.724 889 HA LEU 111 HA LEU 111 8.807 -9.471 9.012 890 HB2 LEU 111 2HB LEU 111 8.387 -12.325 8.065 891 HB3 LEU 111 3HB LEU 111 9.087 -11.921 9.624 892 HG LEU 111 HG LEU 111 6.253 -11.224 8.751 893 HD11 LEU 111 1HD1 LEU 111 6.568 -13.632 9.094 894 HD12 LEU 111 2HD1 LEU 111 5.547 -12.933 10.350 895 HD13 LEU 111 3HD1 LEU 111 7.233 -13.333 10.705 896 HD21 LEU 111 3HD2 LEU 111 7.122 -9.566 10.337 897 HD22 LEU 111 1HD2 LEU 111 7.599 -10.853 11.451 898 HD23 LEU 111 2HD2 LEU 111 5.892 -10.572 11.096 899 H ASP 112 H ASP 112 9.922 -11.010 6.107 900 HA ASP 112 HA ASP 112 12.559 -11.767 6.903 901 HB2 ASP 112 2HB ASP 112 11.291 -12.826 5.034 902 HB3 ASP 112 3HB ASP 112 11.344 -11.322 4.128 903 H LEU 113 H LEU 113 11.092 -8.858 5.619 904 HA LEU 113 HA LEU 113 13.589 -7.418 5.315 905 HB2 LEU 113 2HB LEU 113 10.710 -6.390 5.347 906 HB3 LEU 113 3HB LEU 113 12.124 -5.439 4.927 907 HG LEU 113 HG LEU 113 10.986 -7.768 3.342 908 HD11 LEU 113 1HD1 LEU 113 10.509 -6.112 1.597 909 HD12 LEU 113 2HD1 LEU 113 11.108 -4.822 2.644 910 HD13 LEU 113 3HD1 LEU 113 9.667 -5.734 3.099 911 HD21 LEU 113 3HD2 LEU 113 13.399 -7.850 3.161 912 HD22 LEU 113 1HD2 LEU 113 13.466 -6.136 2.738 913 HD23 LEU 113 2HD2 LEU 113 12.708 -7.293 1.640 914 H ASP 114 H ASP 114 10.913 -7.625 7.671 915 HA ASP 114 HA ASP 114 12.523 -6.587 9.845 916 HB2 ASP 114 2HB ASP 114 11.963 -4.448 8.989 917 HB3 ASP 114 3HB ASP 114 10.325 -4.927 8.575 918 H SER 115 H SER 115 11.935 -7.532 11.673 919 HA SER 115 HA SER 115 9.913 -9.488 11.860 920 HB2 SER 115 2HB SER 115 10.589 -9.584 14.273 921 HB3 SER 115 3HB SER 115 11.971 -9.607 13.176 922 HG SER 115 HG SER 115 11.277 -7.780 15.080 923 H SER 116 H SER 116 9.968 -6.084 12.819 924 HA SER 116 HA SER 116 7.585 -6.075 14.391 925 HB2 SER 116 2HB SER 116 9.372 -4.375 14.621 926 HB3 SER 116 3HB SER 116 9.000 -3.761 13.007 927 HG SER 116 HG SER 116 6.869 -3.302 13.819 928 H CYS 117 H CYS 117 7.871 -6.641 11.111 929 HA CYS 117 HA CYS 117 5.339 -5.550 10.262 930 HB2 CYS 117 2HB CYS 117 6.885 -7.925 9.150 931 HB3 CYS 117 3HB CYS 117 5.617 -7.010 8.329 932 HG CYS 117 HG CYS 117 8.056 -5.074 9.423 933 H LYS 118 H LYS 118 5.831 -7.667 12.732 934 HA LYS 118 HA LYS 118 4.037 -9.652 12.780 935 HB2 LYS 118 2HB LYS 118 4.155 -7.373 14.790 936 HB3 LYS 118 3HB LYS 118 3.326 -8.891 15.095 937 HG2 LYS 118 2HG LYS 118 6.293 -8.627 14.532 938 HG3 LYS 118 3HG LYS 118 5.581 -8.740 16.139 939 HD2 LYS 118 2HD LYS 118 5.333 -10.893 14.000 940 HD3 LYS 118 3HD LYS 118 6.527 -10.900 15.299 941 HE2 LYS 118 2HE LYS 118 4.723 -10.983 16.979 942 HE3 LYS 118 3HE LYS 118 3.513 -10.956 15.693 943 HZ1 LYS 118 3HZ LYS 118 3.963 -13.212 16.547 944 HZ2 LYS 118 1HZ LYS 118 5.565 -13.082 16.026 945 HZ3 LYS 118 2HZ LYS 118 4.310 -13.068 14.901 946 H GLU 119 H GLU 119 3.020 -6.324 12.260 947 HA GLU 119 HA GLU 119 0.292 -6.325 12.503 948 HB2 GLU 119 2HB GLU 119 0.255 -4.631 10.676 949 HB3 GLU 119 3HB GLU 119 1.590 -4.348 11.788 950 HG2 GLU 119 2HG GLU 119 3.137 -5.453 10.175 951 HG3 GLU 119 3HG GLU 119 1.795 -5.648 9.052 952 H ALA 120 H ALA 120 2.174 -7.697 9.821 953 HA ALA 120 HA ALA 120 -0.115 -8.653 8.324 954 HB1 ALA 120 3HB ALA 120 2.867 -9.159 7.949 955 HB2 ALA 120 1HB ALA 120 1.934 -7.873 7.181 956 HB3 ALA 120 2HB ALA 120 1.596 -9.561 6.789 957 H ALA 121 H ALA 121 1.905 -9.841 10.917 958 HA ALA 121 HA ALA 121 1.648 -12.658 10.407 959 HB1 ALA 121 3HB ALA 121 3.464 -11.751 11.815 960 HB2 ALA 121 1HB ALA 121 2.513 -12.962 12.673 961 HB3 ALA 121 2HB ALA 121 2.277 -11.247 13.021 962 H ASP 122 H ASP 122 -0.100 -10.314 12.400 963 HA ASP 122 HA ASP 122 -2.016 -12.019 13.553 964 HB2 ASP 122 2HB ASP 122 -1.654 -9.638 14.241 965 HB3 ASP 122 3HB ASP 122 -2.334 -9.088 12.715 966 H GLY 123 H GLY 123 -2.123 -10.078 10.552 967 HA2 GLY 123 2HA GLY 123 -4.654 -10.899 9.601 968 HA3 GLY 123 3HA GLY 123 -3.370 -10.192 8.633 969 H TYR 124 H TYR 124 -1.471 -12.375 9.310 970 HA TYR 124 HA TYR 124 -1.820 -14.056 7.119 971 HB2 TYR 124 2HB TYR 124 0.363 -13.793 8.090 972 HB3 TYR 124 3HB TYR 124 -0.174 -14.434 9.639 973 HD1 TYR 124 HD1 TYR 124 -0.376 -15.642 6.062 974 HD2 TYR 124 HD2 TYR 124 0.810 -16.539 10.071 975 HE1 TYR 124 HE1 TYR 124 0.367 -17.868 5.350 976 HE2 TYR 124 HE2 TYR 124 1.557 -18.766 9.345 977 HH TYR 124 HH TYR 124 1.913 -19.627 6.069 978 H GLN 125 H GLN 125 -2.490 -14.766 10.558 979 HA GLN 125 HA GLN 125 -3.219 -17.413 10.425 980 HB2 GLN 125 2HB GLN 125 -4.009 -15.138 12.231 981 HB3 GLN 125 3HB GLN 125 -4.958 -16.613 12.350 982 HG2 GLN 125 2HG GLN 125 -3.109 -16.460 14.013 983 HG3 GLN 125 3HG GLN 125 -3.039 -17.895 12.999 984 HE21 GLN 125 1HE2 GLN 125 -1.556 -14.802 13.648 985 HE22 GLN 125 2HE2 GLN 125 -0.067 -15.132 12.851 986 H ARG 126 H ARG 126 -5.255 -14.621 9.530 987 HA ARG 126 HA ARG 126 -7.597 -16.232 8.971 988 HB2 ARG 126 2HB ARG 126 -7.777 -13.856 9.696 989 HB3 ARG 126 3HB ARG 126 -6.988 -13.350 8.208 990 HG2 ARG 126 2HG ARG 126 -8.888 -14.247 6.899 991 HG3 ARG 126 3HG ARG 126 -9.682 -14.745 8.396 992 HD2 ARG 126 2HD ARG 126 -10.588 -12.606 7.525 993 HD3 ARG 126 3HD ARG 126 -9.852 -12.410 9.121 994 HE ARG 126 HE ARG 126 -8.232 -11.817 6.753 995 HH11 ARG 126 1HH1 ARG 126 -10.049 -10.518 9.487 996 HH12 ARG 126 2HH1 ARG 126 -9.324 -8.945 9.359 997 HH21 ARG 126 1HH2 ARG 126 -7.286 -9.785 6.608 998 HH22 ARG 126 2HH2 ARG 126 -7.751 -8.530 7.721 999 H CYS 127 H CYS 127 -4.833 -14.955 7.135 1000 HA CYS 127 HA CYS 127 -5.968 -15.145 4.513 1001 HB2 CYS 127 2HB CYS 127 -3.037 -15.175 5.371 1002 HB3 CYS 127 3HB CYS 127 -3.609 -14.936 3.722 1003 HG CYS 127 HG CYS 127 -4.980 -12.760 5.826 1004 H MET 128 H MET 128 -3.673 -17.259 6.278 1005 HA MET 128 HA MET 128 -3.584 -19.336 4.380 1006 HB2 MET 128 2HB MET 128 -2.661 -20.744 6.252 1007 HB3 MET 128 3HB MET 128 -1.833 -19.213 6.022 1008 HG2 MET 128 2HG MET 128 -2.889 -18.269 7.970 1009 HG3 MET 128 3HG MET 128 -3.925 -19.683 8.156 1010 HE1 MET 128 3HE MET 128 -1.951 -22.127 7.658 1011 HE2 MET 128 1HE MET 128 -3.098 -22.024 8.996 1012 HE3 MET 128 2HE MET 128 -1.410 -22.429 9.309 1013 H MET 129 H MET 129 -5.619 -19.008 7.338 1014 HA MET 129 HA MET 129 -6.798 -21.575 7.129 1015 HB2 MET 129 2HB MET 129 -8.176 -21.019 8.946 1016 HB3 MET 129 3HB MET 129 -6.763 -20.013 9.213 1017 HG2 MET 129 2HG MET 129 -7.941 -18.050 8.446 1018 HG3 MET 129 3HG MET 129 -9.307 -19.019 7.902 1019 HE1 MET 129 3HE MET 129 -10.114 -16.616 9.500 1020 HE2 MET 129 1HE MET 129 -11.128 -17.283 10.778 1021 HE3 MET 129 2HE MET 129 -11.252 -17.923 9.136 1022 H ALA 130 H ALA 130 -7.549 -18.545 5.588 1023 HA ALA 130 HA ALA 130 -10.271 -18.747 5.075 1024 HB1 ALA 130 3HB ALA 130 -8.149 -17.459 3.327 1025 HB2 ALA 130 1HB ALA 130 -8.972 -16.701 4.690 1026 HB3 ALA 130 2HB ALA 130 -9.888 -17.142 3.248 1027 H GLN 131 H GLN 131 -7.585 -19.746 2.933 1028 HA GLN 131 HA GLN 131 -9.274 -21.154 1.097 1029 HB2 GLN 131 2HB GLN 131 -7.063 -22.145 0.250 1030 HB3 GLN 131 3HB GLN 131 -7.233 -20.399 0.152 1031 HG2 GLN 131 2HG GLN 131 -5.819 -20.085 2.085 1032 HG3 GLN 131 3HG GLN 131 -5.740 -21.826 2.362 1033 HE21 GLN 131 1HE2 GLN 131 -3.514 -20.037 1.942 1034 HE22 GLN 131 2HE2 GLN 131 -2.682 -20.645 0.552 1035 H TYR 132 H TYR 132 -7.717 -22.043 4.121 1036 HA TYR 132 HA TYR 132 -8.171 -24.929 3.632 1037 HB2 TYR 132 2HB TYR 132 -6.861 -23.597 6.055 1038 HB3 TYR 132 3HB TYR 132 -6.814 -25.305 5.638 1039 HD1 TYR 132 HD1 TYR 132 -6.233 -24.777 2.578 1040 HD2 TYR 132 HD2 TYR 132 -4.460 -23.335 6.195 1041 HE1 TYR 132 HE1 TYR 132 -4.130 -24.365 1.391 1042 HE2 TYR 132 HE2 TYR 132 -2.351 -22.950 5.004 1043 HH TYR 132 HH TYR 132 -1.204 -23.817 2.957 1044 H ASN 133 H ASN 133 -10.457 -23.133 3.985 1045 HA ASN 133 HA ASN 133 -11.632 -24.046 6.533 1046 HB2 ASN 133 2HB ASN 133 -12.090 -21.685 4.768 1047 HB3 ASN 133 3HB ASN 133 -13.576 -22.448 5.286 1048 HD21 ASN 133 1HD2 ASN 133 -10.920 -20.495 6.281 1049 HD22 ASN 133 2HD2 ASN 133 -11.467 -20.214 7.896 Start of MODEL 17 1 H1 MET 1 1H MET 1 13.602 4.533 -2.829 2 H2 MET 1 2H MET 1 13.816 2.876 -2.596 3 H3 MET 1 3H MET 1 13.421 3.469 -4.132 4 HA MET 1 HA MET 1 15.920 3.979 -2.640 5 HB2 MET 1 2HB MET 1 15.456 2.360 -5.188 6 HB3 MET 1 3HB MET 1 17.018 2.652 -4.430 7 HG2 MET 1 2HG MET 1 14.748 1.102 -3.153 8 HG3 MET 1 3HG MET 1 16.131 0.385 -3.986 9 HE1 MET 1 3HE MET 1 17.021 -0.444 -0.258 10 HE2 MET 1 1HE MET 1 16.857 -1.091 -1.888 11 HE3 MET 1 2HE MET 1 15.432 -0.515 -1.020 12 H GLY 2 H GLY 2 16.535 6.004 -3.038 13 HA2 GLY 2 2HA GLY 2 16.568 7.013 -5.826 14 HA3 GLY 2 3HA GLY 2 16.002 8.040 -4.511 15 H HIS 3 H HIS 3 17.711 9.552 -4.899 16 HA HIS 3 HA HIS 3 20.476 8.592 -4.462 17 HB2 HIS 3 2HB HIS 3 19.424 11.206 -5.617 18 HB3 HIS 3 3HB HIS 3 21.133 10.860 -5.355 19 HD1 HIS 3 HD1 HIS 3 22.250 9.131 -6.944 20 HD2 HIS 3 HD2 HIS 3 18.267 9.902 -7.828 21 HE1 HIS 3 HE1 HIS 3 21.859 8.147 -9.219 22 HE2 HIS 3 HE2 HIS 3 19.414 8.505 -9.671 23 H HIS 4 H HIS 4 21.736 9.295 -2.802 24 HA HIS 4 HA HIS 4 20.499 10.674 -0.549 25 HB2 HIS 4 2HB HIS 4 21.917 8.701 -0.108 26 HB3 HIS 4 3HB HIS 4 23.292 9.468 -0.898 27 HD1 HIS 4 HD1 HIS 4 24.918 10.342 0.756 28 HD2 HIS 4 HD2 HIS 4 21.038 10.518 2.232 29 HE1 HIS 4 HE1 HIS 4 25.114 11.311 3.063 30 HE2 HIS 4 HE2 HIS 4 22.741 11.588 3.844 31 H HIS 5 H HIS 5 22.418 11.501 -3.272 32 HA HIS 5 HA HIS 5 23.845 13.754 -2.314 33 HB2 HIS 5 2HB HIS 5 22.938 12.976 -5.118 34 HB3 HIS 5 3HB HIS 5 23.888 14.424 -4.804 35 HD1 HIS 5 HD1 HIS 5 26.217 13.939 -5.560 36 HD2 HIS 5 HD2 HIS 5 24.554 10.675 -3.600 37 HE1 HIS 5 HE1 HIS 5 28.025 12.194 -5.503 38 HE2 HIS 5 HE2 HIS 5 27.034 10.294 -4.182 39 H HIS 6 H HIS 6 22.433 14.891 -0.985 40 HA HIS 6 HA HIS 6 20.602 16.791 -2.308 41 HB2 HIS 6 2HB HIS 6 19.922 15.088 0.141 42 HB3 HIS 6 3HB HIS 6 19.036 16.548 -0.276 43 HD1 HIS 6 HD1 HIS 6 17.908 16.448 -2.787 44 HD2 HIS 6 HD2 HIS 6 18.870 12.836 -0.973 45 HE1 HIS 6 HE1 HIS 6 16.621 14.701 -4.050 46 HE2 HIS 6 HE2 HIS 6 17.370 12.517 -3.045 47 H HIS 7 H HIS 7 23.371 16.906 -1.304 48 HA HIS 7 HA HIS 7 23.275 18.562 1.106 49 HB2 HIS 7 2HB HIS 7 25.639 17.777 -0.657 50 HB3 HIS 7 3HB HIS 7 25.755 18.621 0.885 51 HD1 HIS 7 HD1 HIS 7 26.513 15.487 -0.253 52 HD2 HIS 7 HD2 HIS 7 24.040 16.744 2.848 53 HE1 HIS 7 HE1 HIS 7 26.308 13.513 1.293 54 HE2 HIS 7 HE2 HIS 7 24.964 14.366 3.242 55 H HIS 8 H HIS 8 21.757 19.614 -0.874 56 HA HIS 8 HA HIS 8 22.863 22.292 -1.096 57 HB2 HIS 8 2HB HIS 8 21.873 20.632 -3.453 58 HB3 HIS 8 3HB HIS 8 21.655 22.375 -3.468 59 HD1 HIS 8 HD1 HIS 8 23.682 20.265 -5.115 60 HD2 HIS 8 HD2 HIS 8 24.571 23.381 -2.532 61 HE1 HIS 8 HE1 HIS 8 26.019 20.979 -5.702 62 HE2 HIS 8 HE2 HIS 8 26.417 23.010 -4.284 63 H SER 9 H SER 9 21.084 20.959 0.688 64 HA SER 9 HA SER 9 18.345 21.401 0.141 65 HB2 SER 9 2HB SER 9 19.829 21.196 2.801 66 HB3 SER 9 3HB SER 9 18.072 21.124 2.621 67 HG SER 9 HG SER 9 20.035 19.275 1.802 68 H HIS 10 H HIS 10 17.627 23.356 -0.393 69 HA HIS 10 HA HIS 10 18.670 25.865 0.571 70 HB2 HIS 10 2HB HIS 10 16.320 25.112 -1.213 71 HB3 HIS 10 3HB HIS 10 16.642 26.783 -0.767 72 HD1 HIS 10 HD1 HIS 10 18.450 28.006 -2.044 73 HD2 HIS 10 HD2 HIS 10 18.343 23.947 -2.922 74 HE1 HIS 10 HE1 HIS 10 19.987 27.696 -4.007 75 HE2 HIS 10 HE2 HIS 10 19.754 25.270 -4.619 76 H MET 11 H MET 11 16.508 27.476 1.009 77 HA MET 11 HA MET 11 15.769 27.283 3.662 78 HB2 MET 11 2HB MET 11 14.047 28.532 1.473 79 HB3 MET 11 3HB MET 11 14.011 28.935 3.188 80 HG2 MET 11 2HG MET 11 16.295 29.458 1.268 81 HG3 MET 11 3HG MET 11 15.192 30.659 1.942 82 HE1 MET 11 3HE MET 11 18.399 30.927 2.047 83 HE2 MET 11 1HE MET 11 18.652 31.453 3.708 84 HE3 MET 11 2HE MET 11 17.333 32.141 2.760 85 H ASN 12 H ASN 12 13.691 26.344 0.896 86 HA ASN 12 HA ASN 12 12.399 24.253 2.504 87 HB2 ASN 12 2HB ASN 12 12.009 25.122 -0.407 88 HB3 ASN 12 3HB ASN 12 11.183 23.739 0.314 89 HD21 ASN 12 1HD2 ASN 12 10.047 26.208 -0.778 90 HD22 ASN 12 2HD2 ASN 12 9.134 26.911 0.511 91 HA PRO 13 HA PRO 13 16.016 21.705 1.225 92 HB2 PRO 13 2HB PRO 13 15.177 19.376 2.513 93 HB3 PRO 13 3HB PRO 13 16.067 20.688 3.310 94 HG2 PRO 13 2HG PRO 13 13.124 20.140 3.300 95 HG3 PRO 13 3HG PRO 13 14.164 20.645 4.649 96 HD2 PRO 13 2HD PRO 13 12.567 22.405 3.365 97 HD3 PRO 13 3HD PRO 13 14.165 22.888 3.975 98 H ASP 14 H ASP 14 12.603 20.792 0.935 99 HA ASP 14 HA ASP 14 12.894 20.259 -1.857 100 HB2 ASP 14 2HB ASP 14 13.656 18.061 -1.114 101 HB3 ASP 14 3HB ASP 14 12.277 17.895 -0.030 102 H LEU 15 H LEU 15 11.146 21.196 -2.668 103 HA LEU 15 HA LEU 15 8.847 21.998 -1.274 104 HB2 LEU 15 2HB LEU 15 9.237 21.667 -4.280 105 HB3 LEU 15 3HB LEU 15 7.890 22.507 -3.532 106 HG LEU 15 HG LEU 15 9.715 24.072 -2.485 107 HD11 LEU 15 1HD1 LEU 15 11.711 22.819 -2.997 108 HD12 LEU 15 2HD1 LEU 15 11.762 24.372 -3.819 109 HD13 LEU 15 3HD1 LEU 15 11.376 22.908 -4.728 110 HD21 LEU 15 3HD2 LEU 15 8.109 24.838 -4.162 111 HD22 LEU 15 1HD2 LEU 15 9.136 24.220 -5.460 112 HD23 LEU 15 2HD2 LEU 15 9.692 25.555 -4.446 113 H ALA 16 H ALA 16 9.556 19.117 -3.152 114 HA ALA 16 HA ALA 16 6.926 18.075 -3.374 115 HB1 ALA 16 3HB ALA 16 8.741 17.386 -4.863 116 HB2 ALA 16 1HB ALA 16 8.013 15.987 -4.072 117 HB3 ALA 16 2HB ALA 16 9.574 16.607 -3.521 118 H LEU 17 H LEU 17 9.164 18.113 -0.659 119 HA LEU 17 HA LEU 17 7.754 15.954 0.702 120 HB2 LEU 17 2HB LEU 17 9.359 16.021 2.345 121 HB3 LEU 17 3HB LEU 17 10.264 16.672 0.999 122 HG LEU 17 HG LEU 17 9.573 19.034 2.074 123 HD11 LEU 17 1HD1 LEU 17 9.478 18.991 4.535 124 HD12 LEU 17 2HD1 LEU 17 9.438 17.227 4.512 125 HD13 LEU 17 3HD1 LEU 17 8.100 18.147 3.829 126 HD21 LEU 17 3HD2 LEU 17 11.674 19.047 3.359 127 HD22 LEU 17 1HD2 LEU 17 11.885 18.276 1.787 128 HD23 LEU 17 2HD2 LEU 17 11.766 17.289 3.245 129 H MET 18 H MET 18 7.324 19.338 0.240 130 HA MET 18 HA MET 18 5.886 19.866 2.706 131 HB2 MET 18 2HB MET 18 5.970 21.529 0.138 132 HB3 MET 18 3HB MET 18 5.420 22.077 1.719 133 HG2 MET 18 2HG MET 18 8.254 21.268 1.011 134 HG3 MET 18 3HG MET 18 7.668 22.918 1.234 135 HE1 MET 18 3HE MET 18 9.622 23.416 2.997 136 HE2 MET 18 1HE MET 18 10.258 21.779 2.810 137 HE3 MET 18 2HE MET 18 9.934 22.423 4.420 138 H VAL 19 H VAL 19 5.079 19.040 -0.618 139 HA VAL 19 HA VAL 19 2.258 19.500 -0.460 140 HB VAL 19 HB VAL 19 3.588 19.514 -2.600 141 HG11 VAL 19 1HG1 VAL 19 5.025 17.589 -2.256 142 HG12 VAL 19 2HG1 VAL 19 4.082 17.349 -3.724 143 HG13 VAL 19 3HG1 VAL 19 3.638 16.497 -2.248 144 HG21 VAL 19 3HG2 VAL 19 1.865 18.469 -4.022 145 HG22 VAL 19 1HG2 VAL 19 1.125 19.353 -2.683 146 HG23 VAL 19 2HG2 VAL 19 1.227 17.591 -2.629 147 H LYS 20 H LYS 20 4.307 16.700 0.272 148 HA LYS 20 HA LYS 20 2.223 14.753 0.055 149 HB2 LYS 20 2HB LYS 20 3.763 13.140 0.975 150 HB3 LYS 20 3HB LYS 20 4.629 14.156 -0.167 151 HG2 LYS 20 2HG LYS 20 5.641 15.410 1.693 152 HG3 LYS 20 3HG LYS 20 4.750 14.429 2.853 153 HD2 LYS 20 2HD LYS 20 7.081 13.674 2.668 154 HD3 LYS 20 3HD LYS 20 5.979 12.412 2.113 155 HE2 LYS 20 2HE LYS 20 6.479 12.975 -0.218 156 HE3 LYS 20 3HE LYS 20 7.493 14.322 0.299 157 HZ1 LYS 20 3HZ LYS 20 8.820 12.420 -0.280 158 HZ2 LYS 20 1HZ LYS 20 8.001 11.454 0.836 159 HZ3 LYS 20 2HZ LYS 20 8.965 12.731 1.374 160 H ASN 21 H ASN 21 3.435 16.765 2.701 161 HA ASN 21 HA ASN 21 2.255 15.468 4.903 162 HB2 ASN 21 2HB ASN 21 2.942 18.407 4.481 163 HB3 ASN 21 3HB ASN 21 2.302 17.801 6.002 164 HD21 ASN 21 1HD2 ASN 21 5.092 18.057 4.010 165 HD22 ASN 21 2HD2 ASN 21 6.204 17.312 5.101 166 H LYS 22 H LYS 22 0.979 18.047 2.774 167 HA LYS 22 HA LYS 22 -1.558 18.125 4.135 168 HB2 LYS 22 2HB LYS 22 -2.243 19.712 2.341 169 HB3 LYS 22 3HB LYS 22 -0.773 20.178 3.170 170 HG2 LYS 22 2HG LYS 22 -0.255 20.699 0.973 171 HG3 LYS 22 3HG LYS 22 0.460 19.096 1.135 172 HD2 LYS 22 2HD LYS 22 -0.695 19.290 -1.003 173 HD3 LYS 22 3HD LYS 22 -1.533 18.112 0.006 174 HE2 LYS 22 2HE LYS 22 -3.183 19.895 0.627 175 HE3 LYS 22 3HE LYS 22 -2.375 20.989 -0.498 176 HZ1 LYS 22 3HZ LYS 22 -4.351 19.921 -1.426 177 HZ2 LYS 22 1HZ LYS 22 -3.619 18.408 -1.262 178 HZ3 LYS 22 2HZ LYS 22 -2.958 19.556 -2.309 179 H GLY 23 H GLY 23 -0.245 16.438 1.325 180 HA2 GLY 23 2HA GLY 23 -2.625 15.376 0.220 181 HA3 GLY 23 3HA GLY 23 -1.024 14.663 0.094 182 H ASN 24 H ASN 24 -0.578 14.302 2.891 183 HA ASN 24 HA ASN 24 -1.984 11.875 3.451 184 HB2 ASN 24 2HB ASN 24 0.003 13.517 5.074 185 HB3 ASN 24 3HB ASN 24 -0.783 12.098 5.757 186 HD21 ASN 24 1HD2 ASN 24 1.826 13.175 3.841 187 HD22 ASN 24 2HD2 ASN 24 2.405 11.623 3.363 188 H GLU 25 H GLU 25 -2.073 15.207 4.752 189 HA GLU 25 HA GLU 25 -3.792 14.669 6.930 190 HB2 GLU 25 2HB GLU 25 -3.696 16.918 7.434 191 HB3 GLU 25 3HB GLU 25 -2.319 16.850 6.346 192 HG2 GLU 25 2HG GLU 25 -3.744 17.708 4.512 193 HG3 GLU 25 3HG GLU 25 -5.119 17.776 5.607 194 H CYS 26 H CYS 26 -4.415 15.409 3.555 195 HA CYS 26 HA CYS 26 -7.075 16.135 3.550 196 HB2 CYS 26 2HB CYS 26 -5.512 14.504 1.550 197 HB3 CYS 26 3HB CYS 26 -7.127 15.144 1.235 198 HG CYS 26 HG CYS 26 -5.043 17.476 2.367 199 H PHE 27 H PHE 27 -5.771 12.806 3.549 200 HA PHE 27 HA PHE 27 -8.182 11.381 3.500 201 HB2 PHE 27 2HB PHE 27 -5.948 10.338 3.208 202 HB3 PHE 27 3HB PHE 27 -5.568 10.651 4.897 203 HD1 PHE 27 HD1 PHE 27 -8.377 9.042 2.972 204 HD2 PHE 27 HD2 PHE 27 -5.661 8.744 6.246 205 HE1 PHE 27 HE1 PHE 27 -9.309 6.831 3.538 206 HE2 PHE 27 HE2 PHE 27 -6.595 6.535 6.821 207 HZ PHE 27 HZ PHE 27 -8.418 5.577 5.466 208 H GLN 28 H GLN 28 -6.339 12.673 6.219 209 HA GLN 28 HA GLN 28 -8.081 11.938 8.352 210 HB2 GLN 28 2HB GLN 28 -5.686 12.439 8.699 211 HB3 GLN 28 3HB GLN 28 -5.929 14.090 8.153 212 HG2 GLN 28 2HG GLN 28 -5.695 14.009 10.575 213 HG3 GLN 28 3HG GLN 28 -7.308 14.574 10.125 214 HE21 GLN 28 1HE2 GLN 28 -6.262 11.161 10.132 215 HE22 GLN 28 2HE2 GLN 28 -7.296 10.673 11.426 216 H LYS 29 H LYS 29 -8.309 14.494 5.953 217 HA LYS 29 HA LYS 29 -10.140 16.130 7.554 218 HB2 LYS 29 2HB LYS 29 -9.664 16.361 4.550 219 HB3 LYS 29 3HB LYS 29 -10.347 17.570 5.626 220 HG2 LYS 29 2HG LYS 29 -7.477 16.647 5.520 221 HG3 LYS 29 3HG LYS 29 -8.096 18.195 4.959 222 HD2 LYS 29 2HD LYS 29 -8.053 17.247 7.852 223 HD3 LYS 29 3HD LYS 29 -6.890 18.361 7.127 224 HE2 LYS 29 2HE LYS 29 -8.754 19.954 6.679 225 HE3 LYS 29 3HE LYS 29 -9.860 18.841 7.494 226 HZ1 LYS 29 3HZ LYS 29 -8.621 19.113 9.525 227 HZ2 LYS 29 1HZ LYS 29 -9.096 20.628 8.946 228 HZ3 LYS 29 2HZ LYS 29 -7.498 20.117 8.761 229 H GLY 30 H GLY 30 -10.389 13.181 6.051 230 HA2 GLY 30 2HA GLY 30 -12.425 11.933 6.247 231 HA3 GLY 30 3HA GLY 30 -13.352 13.383 5.883 232 H ASP 31 H ASP 31 -10.684 13.250 3.837 233 HA ASP 31 HA ASP 31 -12.285 12.581 1.534 234 HB2 ASP 31 2HB ASP 31 -9.283 13.089 1.761 235 HB3 ASP 31 3HB ASP 31 -10.179 12.953 0.252 236 H TYR 32 H TYR 32 -12.560 10.548 0.750 237 HA TYR 32 HA TYR 32 -10.391 8.564 1.094 238 HB2 TYR 32 2HB TYR 32 -13.392 8.183 0.745 239 HB3 TYR 32 3HB TYR 32 -12.269 6.879 0.376 240 HD1 TYR 32 HD1 TYR 32 -13.070 9.289 3.177 241 HD2 TYR 32 HD2 TYR 32 -11.724 5.383 2.107 242 HE1 TYR 32 HE1 TYR 32 -13.024 8.648 5.545 243 HE2 TYR 32 HE2 TYR 32 -11.683 4.742 4.470 244 HH TYR 32 HH TYR 32 -13.163 6.525 6.888 245 HA PRO 33 HA PRO 33 -11.042 8.735 -3.671 246 HB2 PRO 33 2HB PRO 33 -13.147 10.662 -4.427 247 HB3 PRO 33 3HB PRO 33 -13.039 8.930 -4.793 248 HG2 PRO 33 2HG PRO 33 -14.918 9.954 -3.112 249 HG3 PRO 33 3HG PRO 33 -14.271 8.305 -2.949 250 HD2 PRO 33 2HD PRO 33 -13.487 10.793 -1.419 251 HD3 PRO 33 3HD PRO 33 -13.803 9.147 -0.819 252 H GLN 34 H GLN 34 -11.899 11.857 -2.145 253 HA GLN 34 HA GLN 34 -10.426 13.479 -3.964 254 HB2 GLN 34 2HB GLN 34 -12.384 14.252 -2.616 255 HB3 GLN 34 3HB GLN 34 -11.413 14.132 -1.158 256 HG2 GLN 34 2HG GLN 34 -11.365 16.403 -1.633 257 HG3 GLN 34 3HG GLN 34 -9.838 15.849 -2.299 258 HE21 GLN 34 1HE2 GLN 34 -11.317 14.752 -4.762 259 HE22 GLN 34 2HE2 GLN 34 -11.677 16.161 -5.682 260 H ALA 35 H ALA 35 -9.542 11.748 -1.030 261 HA ALA 35 HA ALA 35 -7.026 12.924 -0.510 262 HB1 ALA 35 3HB ALA 35 -8.101 11.380 1.092 263 HB2 ALA 35 1HB ALA 35 -6.475 10.830 0.686 264 HB3 ALA 35 2HB ALA 35 -7.883 10.040 -0.033 265 H MET 36 H MET 36 -8.134 10.565 -2.888 266 HA MET 36 HA MET 36 -5.592 9.622 -3.734 267 HB2 MET 36 2HB MET 36 -7.339 8.185 -4.333 268 HB3 MET 36 3HB MET 36 -8.386 9.485 -4.851 269 HG2 MET 36 2HG MET 36 -5.940 8.830 -6.467 270 HG3 MET 36 3HG MET 36 -7.392 7.845 -6.614 271 HE1 MET 36 3HE MET 36 -9.748 9.998 -6.242 272 HE2 MET 36 1HE MET 36 -9.730 8.748 -7.491 273 HE3 MET 36 2HE MET 36 -10.025 10.429 -7.927 274 H LYS 37 H LYS 37 -7.659 12.274 -4.850 275 HA LYS 37 HA LYS 37 -5.970 13.143 -6.989 276 HB2 LYS 37 2HB LYS 37 -8.147 14.641 -5.451 277 HB3 LYS 37 3HB LYS 37 -7.424 15.183 -6.971 278 HG2 LYS 37 2HG LYS 37 -8.246 13.096 -8.069 279 HG3 LYS 37 3HG LYS 37 -9.030 12.647 -6.548 280 HD2 LYS 37 2HD LYS 37 -10.486 14.632 -6.696 281 HD3 LYS 37 3HD LYS 37 -9.665 15.146 -8.173 282 HE2 LYS 37 2HE LYS 37 -10.471 13.130 -9.341 283 HE3 LYS 37 3HE LYS 37 -11.249 12.567 -7.859 284 HZ1 LYS 37 3HZ LYS 37 -11.949 15.016 -9.393 285 HZ2 LYS 37 1HZ LYS 37 -12.655 14.560 -7.927 286 HZ3 LYS 37 2HZ LYS 37 -12.855 13.594 -9.292 287 H HIS 38 H HIS 38 -6.313 14.055 -3.600 288 HA HIS 38 HA HIS 38 -4.431 16.217 -3.621 289 HB2 HIS 38 2HB HIS 38 -5.712 14.623 -1.385 290 HB3 HIS 38 3HB HIS 38 -4.519 15.876 -1.054 291 HD1 HIS 38 HD1 HIS 38 -7.787 15.781 -0.472 292 HD2 HIS 38 HD2 HIS 38 -5.664 18.167 -3.137 293 HE1 HIS 38 HE1 HIS 38 -9.172 17.843 -0.787 294 HE2 HIS 38 HE2 HIS 38 -7.959 19.172 -2.544 295 H TYR 39 H TYR 39 -4.013 12.748 -3.301 296 HA TYR 39 HA TYR 39 -1.168 13.012 -2.717 297 HB2 TYR 39 2HB TYR 39 -2.956 10.652 -3.350 298 HB3 TYR 39 3HB TYR 39 -1.211 10.480 -3.407 299 HD1 TYR 39 HD2 TYR 39 0.039 11.426 -1.159 300 HD2 TYR 39 HD1 TYR 39 -3.985 9.998 -1.339 301 HE1 TYR 39 HE2 TYR 39 0.126 10.830 1.231 302 HE2 TYR 39 HE1 TYR 39 -3.890 9.404 1.033 303 HH TYR 39 HH TYR 39 -1.434 10.407 3.104 304 H THR 40 H THR 40 -3.217 12.816 -5.609 305 HA THR 40 HA THR 40 -1.333 11.807 -7.452 306 HB THR 40 HB THR 40 -3.683 13.679 -8.006 307 HG1 THR 40 HG1 THR 40 -3.689 11.196 -7.176 308 HG21 THR 40 3HG2 THR 40 -3.608 12.809 -10.321 309 HG22 THR 40 1HG2 THR 40 -2.158 11.879 -9.937 310 HG23 THR 40 2HG2 THR 40 -2.108 13.644 -9.922 311 H GLU 41 H GLU 41 -2.099 15.158 -6.512 312 HA GLU 41 HA GLU 41 -0.292 16.563 -8.127 313 HB2 GLU 41 2HB GLU 41 -0.488 18.371 -6.409 314 HB3 GLU 41 3HB GLU 41 -2.044 17.700 -6.887 315 HG2 GLU 41 2HG GLU 41 -2.101 16.338 -4.831 316 HG3 GLU 41 3HG GLU 41 -0.540 16.999 -4.348 317 H ALA 42 H ALA 42 0.210 14.885 -5.064 318 HA ALA 42 HA ALA 42 2.901 15.762 -4.625 319 HB1 ALA 42 3HB ALA 42 2.919 14.079 -2.826 320 HB2 ALA 42 1HB ALA 42 1.386 13.423 -3.420 321 HB3 ALA 42 2HB ALA 42 1.456 15.063 -2.774 322 H ILE 43 H ILE 43 1.428 12.980 -6.291 323 HA ILE 43 HA ILE 43 3.839 11.515 -6.764 324 HB ILE 43 HB ILE 43 1.012 11.374 -7.824 325 HG12 ILE 43 2HG1 ILE 43 1.261 8.937 -7.237 326 HG13 ILE 43 3HG1 ILE 43 2.931 9.237 -6.775 327 HG21 ILE 43 1HG2 ILE 43 3.258 9.969 -9.304 328 HG22 ILE 43 2HG2 ILE 43 2.221 11.243 -9.947 329 HG23 ILE 43 3HG2 ILE 43 1.532 9.672 -9.535 330 HD11 ILE 43 3HD1 ILE 43 1.456 9.044 -4.861 331 HD12 ILE 43 1HD1 ILE 43 0.494 10.401 -5.446 332 HD13 ILE 43 2HD1 ILE 43 2.170 10.655 -4.948 333 H LYS 44 H LYS 44 2.244 14.199 -8.421 334 HA LYS 44 HA LYS 44 3.861 14.241 -10.785 335 HB2 LYS 44 2HB LYS 44 2.392 16.578 -9.476 336 HB3 LYS 44 3HB LYS 44 2.980 16.524 -11.137 337 HG2 LYS 44 2HG LYS 44 0.766 14.837 -9.942 338 HG3 LYS 44 3HG LYS 44 0.573 16.164 -11.085 339 HD2 LYS 44 2HD LYS 44 1.734 14.855 -12.827 340 HD3 LYS 44 3HD LYS 44 2.024 13.545 -11.676 341 HE2 LYS 44 2HE LYS 44 0.136 13.003 -13.134 342 HE3 LYS 44 3HE LYS 44 -0.414 13.184 -11.471 343 HZ1 LYS 44 3HZ LYS 44 -0.667 15.229 -13.614 344 HZ2 LYS 44 1HZ LYS 44 -1.190 15.409 -12.019 345 HZ3 LYS 44 2HZ LYS 44 -1.915 14.258 -13.021 346 H ARG 45 H ARG 45 4.265 15.458 -7.553 347 HA ARG 45 HA ARG 45 6.565 17.138 -8.052 348 HB2 ARG 45 2HB ARG 45 5.227 16.115 -5.520 349 HB3 ARG 45 3HB ARG 45 6.637 17.159 -5.492 350 HG2 ARG 45 2HG ARG 45 3.977 17.909 -6.729 351 HG3 ARG 45 3HG ARG 45 4.494 18.348 -5.105 352 HD2 ARG 45 2HD ARG 45 5.013 20.270 -6.300 353 HD3 ARG 45 3HD ARG 45 6.558 19.428 -6.322 354 HE ARG 45 HE ARG 45 6.273 18.963 -8.597 355 HH11 ARG 45 1HH1 ARG 45 3.520 20.753 -7.349 356 HH12 ARG 45 2HH1 ARG 45 2.935 21.187 -8.928 357 HH21 ARG 45 1HH2 ARG 45 5.517 19.552 -10.654 358 HH22 ARG 45 2HH2 ARG 45 4.068 20.506 -10.792 359 H ASN 46 H ASN 46 6.011 13.973 -6.486 360 HA ASN 46 HA ASN 46 8.815 13.219 -6.905 361 HB2 ASN 46 2HB ASN 46 8.829 12.131 -4.574 362 HB3 ASN 46 3HB ASN 46 9.007 13.869 -4.657 363 HD21 ASN 46 1HD2 ASN 46 5.910 12.038 -4.743 364 HD22 ASN 46 2HD2 ASN 46 5.328 12.703 -3.270 365 HA PRO 47 HA PRO 47 6.156 9.686 -8.305 366 HB2 PRO 47 2HB PRO 47 7.240 9.361 -10.766 367 HB3 PRO 47 3HB PRO 47 6.081 10.672 -10.448 368 HG2 PRO 47 2HG PRO 47 9.081 10.813 -10.576 369 HG3 PRO 47 3HG PRO 47 7.874 11.892 -11.312 370 HD2 PRO 47 2HD PRO 47 9.150 12.461 -8.940 371 HD3 PRO 47 3HD PRO 47 7.531 13.069 -9.351 372 H LYS 48 H LYS 48 9.299 10.254 -7.442 373 HA LYS 48 HA LYS 48 10.407 7.585 -7.817 374 HB2 LYS 48 2HB LYS 48 11.560 9.948 -6.255 375 HB3 LYS 48 3HB LYS 48 12.429 8.532 -6.834 376 HG2 LYS 48 2HG LYS 48 11.202 10.684 -8.573 377 HG3 LYS 48 3HG LYS 48 12.915 10.534 -8.166 378 HD2 LYS 48 2HD LYS 48 13.009 8.360 -9.347 379 HD3 LYS 48 3HD LYS 48 11.287 8.489 -9.729 380 HE2 LYS 48 2HE LYS 48 12.607 9.151 -11.658 381 HE3 LYS 48 3HE LYS 48 11.756 10.558 -11.021 382 HZ1 LYS 48 3HZ LYS 48 14.604 9.898 -10.510 383 HZ2 LYS 48 1HZ LYS 48 13.784 11.258 -9.939 384 HZ3 LYS 48 2HZ LYS 48 14.044 11.067 -11.595 385 H ASP 49 H ASP 49 8.602 9.394 -5.478 386 HA ASP 49 HA ASP 49 9.680 8.166 -3.106 387 HB2 ASP 49 2HB ASP 49 8.633 10.540 -3.286 388 HB3 ASP 49 3HB ASP 49 7.070 9.742 -3.264 389 H ALA 50 H ALA 50 9.224 6.115 -2.622 390 HA ALA 50 HA ALA 50 7.072 4.677 -3.875 391 HB1 ALA 50 3HB ALA 50 8.050 2.703 -2.818 392 HB2 ALA 50 1HB ALA 50 9.118 3.734 -1.858 393 HB3 ALA 50 2HB ALA 50 9.280 3.683 -3.613 394 H LYS 51 H LYS 51 7.555 6.071 -0.657 395 HA LYS 51 HA LYS 51 5.478 4.446 0.539 396 HB2 LYS 51 2HB LYS 51 5.792 5.662 2.581 397 HB3 LYS 51 3HB LYS 51 7.358 5.267 1.915 398 HG2 LYS 51 2HG LYS 51 7.633 7.402 2.811 399 HG3 LYS 51 3HG LYS 51 7.454 7.687 1.085 400 HD2 LYS 51 2HD LYS 51 6.255 9.386 2.381 401 HD3 LYS 51 3HD LYS 51 5.121 8.432 1.435 402 HE2 LYS 51 2HE LYS 51 5.655 7.944 4.388 403 HE3 LYS 51 3HE LYS 51 4.387 9.012 3.795 404 HZ1 LYS 51 3HZ LYS 51 3.475 7.040 2.583 405 HZ2 LYS 51 1HZ LYS 51 3.415 6.929 4.268 406 HZ3 LYS 51 2HZ LYS 51 4.590 6.079 3.414 407 H LEU 52 H LEU 52 5.643 7.446 -1.165 408 HA LEU 52 HA LEU 52 3.039 8.420 -0.705 409 HB2 LEU 52 2HB LEU 52 5.212 8.873 -2.653 410 HB3 LEU 52 3HB LEU 52 3.653 8.996 -3.431 411 HG LEU 52 HG LEU 52 4.523 11.197 -2.658 412 HD11 LEU 52 1HD1 LEU 52 2.485 12.027 -1.573 413 HD12 LEU 52 2HD1 LEU 52 1.969 10.374 -1.227 414 HD13 LEU 52 3HD1 LEU 52 2.103 10.930 -2.897 415 HD21 LEU 52 3HD2 LEU 52 5.730 10.436 -0.632 416 HD22 LEU 52 1HD2 LEU 52 4.192 10.140 0.178 417 HD23 LEU 52 2HD2 LEU 52 4.648 11.779 -0.289 418 H TYR 53 H TYR 53 4.312 5.985 -2.935 419 HA TYR 53 HA TYR 53 1.798 5.270 -4.086 420 HB2 TYR 53 2HB TYR 53 4.462 3.798 -4.052 421 HB3 TYR 53 3HB TYR 53 3.046 3.253 -4.952 422 HD1 TYR 53 HD1 TYR 53 2.031 4.921 -6.688 423 HD2 TYR 53 HD2 TYR 53 5.970 5.334 -5.117 424 HE1 TYR 53 HE1 TYR 53 2.634 6.352 -8.589 425 HE2 TYR 53 HE2 TYR 53 6.579 6.769 -7.014 426 HH TYR 53 HH TYR 53 5.861 7.171 -9.325 427 H SER 54 H SER 54 3.633 3.962 -1.251 428 HA SER 54 HA SER 54 1.989 1.679 -0.880 429 HB2 SER 54 2HB SER 54 2.891 1.520 1.399 430 HB3 SER 54 3HB SER 54 4.186 1.925 0.275 431 HG SER 54 HG SER 54 2.882 4.062 1.505 432 H ASN 55 H ASN 55 1.535 5.038 -0.124 433 HA ASN 55 HA ASN 55 -0.862 4.717 1.484 434 HB2 ASN 55 2HB ASN 55 0.461 7.162 0.231 435 HB3 ASN 55 3HB ASN 55 -1.021 7.243 1.183 436 HD21 ASN 55 1HD2 ASN 55 -0.007 8.590 2.682 437 HD22 ASN 55 2HD2 ASN 55 1.136 7.996 3.832 438 H ARG 56 H ARG 56 -0.066 5.185 -1.924 439 HA ARG 56 HA ARG 56 -2.653 5.883 -2.861 440 HB2 ARG 56 2HB ARG 56 -0.332 4.561 -4.315 441 HB3 ARG 56 3HB ARG 56 -1.821 5.020 -5.120 442 HG2 ARG 56 2HG ARG 56 -0.004 6.993 -3.708 443 HG3 ARG 56 3HG ARG 56 0.124 6.599 -5.420 444 HD2 ARG 56 2HD ARG 56 -1.110 8.663 -5.162 445 HD3 ARG 56 3HD ARG 56 -2.214 7.413 -5.746 446 HE ARG 56 HE ARG 56 -2.065 8.346 -2.935 447 HH11 ARG 56 1HH1 ARG 56 -3.955 7.183 -5.646 448 HH12 ARG 56 2HH1 ARG 56 -5.454 7.265 -4.778 449 HH21 ARG 56 1HH2 ARG 56 -4.019 8.375 -1.797 450 HH22 ARG 56 2HH2 ARG 56 -5.489 7.942 -2.595 451 H ALA 57 H ALA 57 -0.943 2.735 -3.025 452 HA ALA 57 HA ALA 57 -3.031 1.056 -3.688 453 HB1 ALA 57 3HB ALA 57 -0.667 0.357 -3.612 454 HB2 ALA 57 1HB ALA 57 -1.688 -0.763 -2.706 455 HB3 ALA 57 2HB ALA 57 -0.697 0.421 -1.847 456 H ALA 58 H ALA 58 -2.128 2.267 -0.488 457 HA ALA 58 HA ALA 58 -3.968 0.769 1.073 458 HB1 ALA 58 3HB ALA 58 -3.421 2.350 2.872 459 HB2 ALA 58 1HB ALA 58 -2.663 3.440 1.697 460 HB3 ALA 58 2HB ALA 58 -1.965 1.852 2.012 461 H CYS 59 H CYS 59 -4.323 3.757 -0.745 462 HA CYS 59 HA CYS 59 -6.846 4.542 0.461 463 HB2 CYS 59 2HB CYS 59 -5.326 6.252 -0.374 464 HB3 CYS 59 3HB CYS 59 -5.321 5.538 -1.981 465 HG CYS 59 HG CYS 59 -8.320 6.589 -0.790 466 H TYR 60 H TYR 60 -5.774 3.031 -2.585 467 HA TYR 60 HA TYR 60 -8.199 3.159 -4.009 468 HB2 TYR 60 2HB TYR 60 -5.810 1.299 -4.323 469 HB3 TYR 60 3HB TYR 60 -7.155 1.336 -5.463 470 HD1 TYR 60 HD1 TYR 60 -7.667 4.317 -5.590 471 HD2 TYR 60 HD2 TYR 60 -4.007 2.099 -5.674 472 HE1 TYR 60 HE1 TYR 60 -6.592 6.124 -6.861 473 HE2 TYR 60 HE2 TYR 60 -2.947 3.911 -6.948 474 HH TYR 60 HH TYR 60 -3.473 5.807 -8.307 475 H THR 61 H THR 61 -7.018 0.790 -1.715 476 HA THR 61 HA THR 61 -8.844 -1.299 -2.154 477 HB THR 61 HB THR 61 -8.370 -1.880 0.285 478 HG1 THR 61 HG1 THR 61 -6.393 -0.403 0.913 479 HG21 THR 61 3HG2 THR 61 -5.936 -1.283 -1.443 480 HG22 THR 61 1HG2 THR 61 -6.924 -2.744 -1.524 481 HG23 THR 61 2HG2 THR 61 -5.981 -2.395 -0.073 482 H LYS 62 H LYS 62 -9.141 1.718 -0.258 483 HA LYS 62 HA LYS 62 -11.672 1.082 0.986 484 HB2 LYS 62 2HB LYS 62 -10.144 3.693 0.653 485 HB3 LYS 62 3HB LYS 62 -11.757 3.665 1.353 486 HG2 LYS 62 2HG LYS 62 -10.098 3.735 3.117 487 HG3 LYS 62 3HG LYS 62 -10.955 2.191 3.168 488 HD2 LYS 62 2HD LYS 62 -9.052 1.106 2.025 489 HD3 LYS 62 3HD LYS 62 -8.202 2.651 1.965 490 HE2 LYS 62 2HE LYS 62 -8.075 2.698 4.407 491 HE3 LYS 62 3HE LYS 62 -9.007 1.199 4.506 492 HZ1 LYS 62 3HZ LYS 62 -6.635 0.804 4.728 493 HZ2 LYS 62 1HZ LYS 62 -6.353 1.492 3.210 494 HZ3 LYS 62 2HZ LYS 62 -7.238 0.059 3.336 495 H LEU 63 H LEU 63 -10.658 2.529 -2.006 496 HA LEU 63 HA LEU 63 -13.323 3.355 -2.826 497 HB2 LEU 63 2HB LEU 63 -10.725 3.218 -4.434 498 HB3 LEU 63 3HB LEU 63 -12.205 4.032 -4.923 499 HG LEU 63 HG LEU 63 -10.390 4.837 -2.614 500 HD11 LEU 63 1HD1 LEU 63 -9.449 5.442 -4.781 501 HD12 LEU 63 2HD1 LEU 63 -9.980 6.883 -3.917 502 HD13 LEU 63 3HD1 LEU 63 -10.954 6.247 -5.246 503 HD21 LEU 63 3HD2 LEU 63 -13.023 6.080 -3.484 504 HD22 LEU 63 1HD2 LEU 63 -11.893 6.793 -2.330 505 HD23 LEU 63 2HD2 LEU 63 -12.684 5.266 -1.952 506 H LEU 64 H LEU 64 -11.883 0.397 -2.507 507 HA LEU 64 HA LEU 64 -12.202 -1.679 -3.244 508 HB2 LEU 64 2HB LEU 64 -14.720 -0.434 -4.388 509 HB3 LEU 64 3HB LEU 64 -14.353 -2.122 -4.677 510 HG LEU 64 HG LEU 64 -15.955 -1.913 -2.836 511 HD11 LEU 64 1HD1 LEU 64 -14.358 -3.785 -2.729 512 HD12 LEU 64 2HD1 LEU 64 -14.878 -3.262 -1.130 513 HD13 LEU 64 3HD1 LEU 64 -13.280 -2.807 -1.727 514 HD21 LEU 64 3HD2 LEU 64 -13.877 -0.311 -1.311 515 HD22 LEU 64 1HD2 LEU 64 -15.455 -0.827 -0.703 516 HD23 LEU 64 2HD2 LEU 64 -15.353 0.338 -2.021 517 H GLU 65 H GLU 65 -10.908 0.507 -4.956 518 HA GLU 65 HA GLU 65 -10.730 -0.636 -7.622 519 HB2 GLU 65 2HB GLU 65 -9.364 1.726 -6.247 520 HB3 GLU 65 3HB GLU 65 -9.126 1.304 -7.938 521 HG2 GLU 65 2HG GLU 65 -11.775 2.122 -6.703 522 HG3 GLU 65 3HG GLU 65 -10.700 3.192 -7.604 523 H PHE 66 H PHE 66 -9.971 -2.604 -5.974 524 HA PHE 66 HA PHE 66 -7.336 -2.736 -5.048 525 HB2 PHE 66 2HB PHE 66 -9.249 -4.922 -5.944 526 HB3 PHE 66 3HB PHE 66 -7.642 -5.291 -5.328 527 HD1 PHE 66 HD2 PHE 66 -10.874 -3.640 -4.389 528 HD2 PHE 66 HD1 PHE 66 -7.250 -5.417 -2.977 529 HE1 PHE 66 HE2 PHE 66 -11.739 -3.611 -2.087 530 HE2 PHE 66 HE1 PHE 66 -8.129 -5.380 -0.679 531 HZ PHE 66 HZ PHE 66 -10.378 -4.478 -0.231 532 H GLN 67 H GLN 67 -8.592 -3.141 -8.324 533 HA GLN 67 HA GLN 67 -6.385 -4.320 -9.614 534 HB2 GLN 67 2HB GLN 67 -8.250 -2.188 -10.742 535 HB3 GLN 67 3HB GLN 67 -7.209 -3.239 -11.692 536 HG2 GLN 67 2HG GLN 67 -9.627 -4.044 -10.069 537 HG3 GLN 67 3HG GLN 67 -9.485 -4.007 -11.823 538 HE21 GLN 67 1HE2 GLN 67 -8.676 -5.751 -8.914 539 HE22 GLN 67 2HE2 GLN 67 -8.129 -7.193 -9.689 540 H LEU 68 H LEU 68 -7.065 -0.953 -8.722 541 HA LEU 68 HA LEU 68 -4.742 0.150 -10.015 542 HB2 LEU 68 2HB LEU 68 -6.484 1.398 -7.852 543 HB3 LEU 68 3HB LEU 68 -5.292 2.243 -8.828 544 HG LEU 68 HG LEU 68 -8.005 1.180 -9.674 545 HD11 LEU 68 1HD1 LEU 68 -6.750 3.938 -9.796 546 HD12 LEU 68 2HD1 LEU 68 -8.005 3.389 -8.679 547 HD13 LEU 68 3HD1 LEU 68 -8.359 3.516 -10.401 548 HD21 LEU 68 3HD2 LEU 68 -6.548 0.472 -11.477 549 HD22 LEU 68 1HD2 LEU 68 -5.796 2.074 -11.561 550 HD23 LEU 68 2HD2 LEU 68 -7.490 1.862 -12.011 551 H ALA 69 H ALA 69 -5.628 -0.895 -6.754 552 HA ALA 69 HA ALA 69 -3.301 -0.132 -5.356 553 HB1 ALA 69 3HB ALA 69 -5.397 -0.779 -4.221 554 HB2 ALA 69 1HB ALA 69 -4.034 -1.733 -3.632 555 HB3 ALA 69 2HB ALA 69 -5.187 -2.447 -4.763 556 H LEU 70 H LEU 70 -4.012 -2.957 -7.360 557 HA LEU 70 HA LEU 70 -1.676 -4.482 -6.751 558 HB2 LEU 70 2HB LEU 70 -3.439 -4.506 -9.239 559 HB3 LEU 70 3HB LEU 70 -2.178 -5.683 -8.917 560 HG LEU 70 HG LEU 70 -4.738 -5.319 -7.312 561 HD11 LEU 70 1HD1 LEU 70 -3.903 -7.583 -9.135 562 HD12 LEU 70 2HD1 LEU 70 -5.137 -6.366 -9.476 563 HD13 LEU 70 3HD1 LEU 70 -5.376 -7.516 -8.163 564 HD21 LEU 70 3HD2 LEU 70 -2.931 -5.996 -5.815 565 HD22 LEU 70 1HD2 LEU 70 -2.530 -7.347 -6.880 566 HD23 LEU 70 2HD2 LEU 70 -4.083 -7.309 -6.039 567 H LYS 71 H LYS 71 -2.470 -2.576 -9.712 568 HA LYS 71 HA LYS 71 0.049 -2.760 -10.916 569 HB2 LYS 71 2HB LYS 71 -0.656 -0.965 -12.430 570 HB3 LYS 71 3HB LYS 71 -1.977 -2.095 -12.164 571 HG2 LYS 71 2HG LYS 71 -3.025 -0.516 -10.586 572 HG3 LYS 71 3HG LYS 71 -1.690 0.609 -10.814 573 HD2 LYS 71 2HD LYS 71 -3.612 1.357 -12.090 574 HD3 LYS 71 3HD LYS 71 -2.339 0.874 -13.207 575 HE2 LYS 71 2HE LYS 71 -4.618 -0.989 -12.467 576 HE3 LYS 71 3HE LYS 71 -4.761 0.194 -13.764 577 HZ1 LYS 71 3HZ LYS 71 -2.786 -2.018 -13.635 578 HZ2 LYS 71 1HZ LYS 71 -2.861 -0.854 -14.859 579 HZ3 LYS 71 2HZ LYS 71 -4.138 -1.935 -14.638 580 H ASP 72 H ASP 72 -1.141 -0.467 -8.567 581 HA ASP 72 HA ASP 72 0.835 1.538 -8.719 582 HB2 ASP 72 2HB ASP 72 -1.309 1.894 -7.595 583 HB3 ASP 72 3HB ASP 72 -0.956 0.631 -6.418 584 H CYS 73 H CYS 73 0.592 -1.358 -6.604 585 HA CYS 73 HA CYS 73 3.165 -0.908 -5.403 586 HB2 CYS 73 2HB CYS 73 2.850 -3.110 -4.341 587 HB3 CYS 73 3HB CYS 73 1.428 -2.094 -4.156 588 HG CYS 73 HG CYS 73 1.452 -4.264 -6.733 589 H GLU 74 H GLU 74 2.051 -2.564 -8.296 590 HA GLU 74 HA GLU 74 4.400 -4.139 -8.770 591 HB2 GLU 74 2HB GLU 74 2.388 -3.114 -10.819 592 HB3 GLU 74 3HB GLU 74 3.582 -4.378 -11.093 593 HG2 GLU 74 2HG GLU 74 1.115 -4.476 -9.367 594 HG3 GLU 74 3HG GLU 74 1.502 -5.470 -10.761 595 H GLU 75 H GLU 75 3.603 -0.773 -9.495 596 HA GLU 75 HA GLU 75 6.118 -0.399 -10.947 597 HB2 GLU 75 2HB GLU 75 5.407 1.942 -11.225 598 HB3 GLU 75 3HB GLU 75 4.176 0.811 -11.772 599 HG2 GLU 75 2HG GLU 75 2.942 1.182 -9.631 600 HG3 GLU 75 3HG GLU 75 4.137 2.399 -9.187 601 H CYS 76 H CYS 76 4.748 0.251 -7.757 602 HA CYS 76 HA CYS 76 6.748 1.909 -6.674 603 HB2 CYS 76 2HB CYS 76 4.571 1.588 -5.583 604 HB3 CYS 76 3HB CYS 76 4.963 -0.092 -5.229 605 HG CYS 76 HG CYS 76 5.319 2.379 -3.291 606 H ILE 77 H ILE 77 6.596 -1.608 -6.988 607 HA ILE 77 HA ILE 77 8.817 -2.255 -5.338 608 HB ILE 77 HB ILE 77 6.979 -3.845 -6.079 609 HG12 ILE 77 2HG1 ILE 77 9.291 -4.580 -5.074 610 HG13 ILE 77 3HG1 ILE 77 8.247 -5.800 -5.775 611 HG21 ILE 77 1HG2 ILE 77 8.533 -3.998 -8.678 612 HG22 ILE 77 2HG2 ILE 77 6.909 -3.352 -8.451 613 HG23 ILE 77 3HG2 ILE 77 7.209 -5.072 -8.204 614 HD11 ILE 77 3HD1 ILE 77 10.578 -6.181 -6.321 615 HD12 ILE 77 1HD1 ILE 77 10.688 -4.601 -7.094 616 HD13 ILE 77 2HD1 ILE 77 9.652 -5.853 -7.783 617 H GLN 78 H GLN 78 8.568 -1.004 -8.605 618 HA GLN 78 HA GLN 78 11.157 -1.906 -9.530 619 HB2 GLN 78 2HB GLN 78 9.517 0.441 -10.600 620 HB3 GLN 78 3HB GLN 78 10.803 -0.421 -11.441 621 HG2 GLN 78 2HG GLN 78 8.076 -1.516 -10.700 622 HG3 GLN 78 3HG GLN 78 8.628 -1.075 -12.314 623 HE21 GLN 78 1HE2 GLN 78 7.594 -3.625 -11.314 624 HE22 GLN 78 2HE2 GLN 78 8.813 -4.801 -11.648 625 H LEU 79 H LEU 79 9.853 0.965 -7.985 626 HA LEU 79 HA LEU 79 12.297 2.511 -7.997 627 HB2 LEU 79 2HB LEU 79 9.774 2.909 -6.333 628 HB3 LEU 79 3HB LEU 79 11.029 4.105 -6.637 629 HG LEU 79 HG LEU 79 9.142 2.966 -8.735 630 HD11 LEU 79 1HD1 LEU 79 7.982 4.396 -7.133 631 HD12 LEU 79 2HD1 LEU 79 8.096 5.179 -8.705 632 HD13 LEU 79 3HD1 LEU 79 9.163 5.684 -7.392 633 HD21 LEU 79 3HD2 LEU 79 10.048 4.721 -10.223 634 HD22 LEU 79 1HD2 LEU 79 11.291 3.566 -9.738 635 HD23 LEU 79 2HD2 LEU 79 11.230 5.162 -8.987 636 H GLU 80 H GLU 80 10.608 0.353 -5.819 637 HA GLU 80 HA GLU 80 12.731 0.425 -3.797 638 HB2 GLU 80 2HB GLU 80 11.085 2.230 -3.214 639 HB3 GLU 80 3HB GLU 80 9.798 1.037 -3.205 640 HG2 GLU 80 2HG GLU 80 10.331 1.482 -0.940 641 HG3 GLU 80 3HG GLU 80 10.999 -0.112 -1.298 642 HA PRO 81 HA PRO 81 11.082 -3.862 -4.547 643 HB2 PRO 81 2HB PRO 81 13.423 -5.191 -4.018 644 HB3 PRO 81 3HB PRO 81 13.107 -4.399 -5.579 645 HG2 PRO 81 2HG PRO 81 14.690 -3.369 -3.235 646 HG3 PRO 81 3HG PRO 81 15.113 -3.359 -4.964 647 HD2 PRO 81 2HD PRO 81 14.109 -1.161 -3.726 648 HD3 PRO 81 3HD PRO 81 13.745 -1.524 -5.430 649 H THR 82 H THR 82 12.422 -2.306 -1.791 650 HA THR 82 HA THR 82 11.676 -4.492 0.052 651 HB THR 82 HB THR 82 13.179 -3.179 1.691 652 HG1 THR 82 HG1 THR 82 13.231 -1.268 0.284 653 HG21 THR 82 3HG2 THR 82 13.935 -5.295 0.658 654 HG22 THR 82 1HG2 THR 82 15.270 -4.154 0.821 655 HG23 THR 82 2HG2 THR 82 14.514 -4.404 -0.754 656 H PHE 83 H PHE 83 9.891 -2.211 -1.147 657 HA PHE 83 HA PHE 83 9.092 -0.584 1.028 658 HB2 PHE 83 2HB PHE 83 7.137 0.005 -0.242 659 HB3 PHE 83 3HB PHE 83 8.474 -0.141 -1.367 660 HD1 PHE 83 HD1 PHE 83 8.659 -2.702 -2.409 661 HD2 PHE 83 HD2 PHE 83 5.098 -0.825 -0.986 662 HE1 PHE 83 HE1 PHE 83 7.305 -4.182 -3.829 663 HE2 PHE 83 HE2 PHE 83 3.750 -2.311 -2.414 664 HZ PHE 83 HZ PHE 83 4.854 -3.987 -3.839 665 H ILE 84 H ILE 84 8.046 -1.088 2.865 666 HA ILE 84 HA ILE 84 7.464 -3.912 3.374 667 HB ILE 84 HB ILE 84 7.613 -1.598 5.367 668 HG12 ILE 84 2HG1 ILE 84 9.767 -3.627 4.595 669 HG13 ILE 84 3HG1 ILE 84 9.782 -1.915 4.192 670 HG21 ILE 84 1HG2 ILE 84 7.849 -3.356 7.078 671 HG22 ILE 84 2HG2 ILE 84 7.694 -4.605 5.842 672 HG23 ILE 84 3HG2 ILE 84 6.328 -3.541 6.197 673 HD11 ILE 84 3HD1 ILE 84 11.274 -2.370 6.024 674 HD12 ILE 84 1HD1 ILE 84 9.968 -3.100 6.957 675 HD13 ILE 84 2HD1 ILE 84 9.932 -1.374 6.585 676 H LYS 85 H LYS 85 5.835 -0.743 3.775 677 HA LYS 85 HA LYS 85 3.511 -1.816 5.045 678 HB2 LYS 85 2HB LYS 85 3.893 0.912 3.725 679 HB3 LYS 85 3HB LYS 85 2.519 0.462 4.734 680 HG2 LYS 85 2HG LYS 85 5.400 0.874 5.568 681 HG3 LYS 85 3HG LYS 85 3.956 1.719 6.137 682 HD2 LYS 85 2HD LYS 85 3.195 -0.531 7.130 683 HD3 LYS 85 3HD LYS 85 4.813 -1.134 6.758 684 HE2 LYS 85 2HE LYS 85 4.802 -0.474 9.058 685 HE3 LYS 85 3HE LYS 85 5.740 0.742 8.191 686 HZ1 LYS 85 3HZ LYS 85 2.914 0.987 9.081 687 HZ2 LYS 85 1HZ LYS 85 3.734 2.141 8.156 688 HZ3 LYS 85 2HZ LYS 85 4.250 1.792 9.720 689 H GLY 86 H GLY 86 4.343 -1.015 1.730 690 HA2 GLY 86 2HA GLY 86 1.807 -1.346 0.518 691 HA3 GLY 86 3HA GLY 86 3.363 -1.512 -0.277 692 H TYR 87 H TYR 87 4.119 -3.701 1.720 693 HA TYR 87 HA TYR 87 3.137 -5.983 0.313 694 HB2 TYR 87 2HB TYR 87 4.810 -5.678 2.827 695 HB3 TYR 87 3HB TYR 87 4.254 -7.262 2.299 696 HD1 TYR 87 HD2 TYR 87 4.792 -5.644 -0.743 697 HD2 TYR 87 HD1 TYR 87 6.980 -7.189 2.587 698 HE1 TYR 87 HE2 TYR 87 6.781 -5.917 -2.161 699 HE2 TYR 87 HE1 TYR 87 8.952 -7.462 1.166 700 HH TYR 87 HH TYR 87 9.253 -6.040 -1.862 701 H THR 88 H THR 88 2.237 -4.455 3.391 702 HA THR 88 HA THR 88 0.471 -6.460 4.313 703 HB THR 88 HB THR 88 0.249 -3.449 4.772 704 HG1 THR 88 HG1 THR 88 1.658 -3.787 6.453 705 HG21 THR 88 3HG2 THR 88 -0.803 -5.776 6.448 706 HG22 THR 88 1HG2 THR 88 -1.799 -4.667 5.498 707 HG23 THR 88 2HG2 THR 88 -0.888 -4.070 6.886 708 H ARG 89 H ARG 89 -0.008 -3.704 2.123 709 HA ARG 89 HA ARG 89 -2.846 -4.176 1.728 710 HB2 ARG 89 2HB ARG 89 -0.920 -2.241 0.360 711 HB3 ARG 89 3HB ARG 89 -2.631 -2.350 -0.036 712 HG2 ARG 89 2HG ARG 89 -2.441 -0.496 1.429 713 HG3 ARG 89 3HG ARG 89 -3.132 -1.793 2.400 714 HD2 ARG 89 2HD ARG 89 -0.836 -2.243 3.313 715 HD3 ARG 89 3HD ARG 89 -0.248 -0.840 2.423 716 HE ARG 89 HE ARG 89 -2.256 0.178 3.924 717 HH11 ARG 89 1HH1 ARG 89 0.597 -1.726 4.749 718 HH12 ARG 89 2HH1 ARG 89 0.732 -1.051 6.342 719 HH21 ARG 89 1HH2 ARG 89 -2.070 1.015 6.023 720 HH22 ARG 89 2HH2 ARG 89 -0.776 0.499 7.050 721 H LYS 90 H LYS 90 0.133 -5.076 0.116 722 HA LYS 90 HA LYS 90 -0.873 -6.079 -2.318 723 HB2 LYS 90 2HB LYS 90 1.552 -5.691 -1.807 724 HB3 LYS 90 3HB LYS 90 1.509 -7.010 -0.653 725 HG2 LYS 90 2HG LYS 90 2.568 -7.906 -2.535 726 HG3 LYS 90 3HG LYS 90 0.929 -8.543 -2.638 727 HD2 LYS 90 2HD LYS 90 1.617 -5.993 -4.104 728 HD3 LYS 90 3HD LYS 90 2.157 -7.532 -4.775 729 HE2 LYS 90 2HE LYS 90 -0.192 -8.316 -4.852 730 HE3 LYS 90 3HE LYS 90 -0.726 -6.766 -4.191 731 HZ1 LYS 90 3HZ LYS 90 0.032 -5.648 -6.131 732 HZ2 LYS 90 1HZ LYS 90 -0.881 -6.966 -6.655 733 HZ3 LYS 90 2HZ LYS 90 0.805 -7.026 -6.724 734 H ALA 91 H ALA 91 -0.186 -7.642 0.802 735 HA ALA 91 HA ALA 91 -1.181 -10.219 0.173 736 HB1 ALA 91 3HB ALA 91 -0.773 -8.921 2.898 737 HB2 ALA 91 1HB ALA 91 0.445 -9.808 1.980 738 HB3 ALA 91 2HB ALA 91 -0.980 -10.649 2.590 739 H ALA 92 H ALA 92 -2.649 -7.328 1.586 740 HA ALA 92 HA ALA 92 -5.157 -8.431 2.349 741 HB1 ALA 92 3HB ALA 92 -4.313 -6.300 3.245 742 HB2 ALA 92 1HB ALA 92 -5.898 -6.086 2.503 743 HB3 ALA 92 2HB ALA 92 -4.444 -5.560 1.649 744 H ALA 93 H ALA 93 -3.954 -6.960 -0.638 745 HA ALA 93 HA ALA 93 -6.440 -6.900 -2.040 746 HB1 ALA 93 3HB ALA 93 -5.076 -6.492 -4.044 747 HB2 ALA 93 1HB ALA 93 -3.608 -6.908 -3.146 748 HB3 ALA 93 2HB ALA 93 -4.545 -5.481 -2.701 749 H LEU 94 H LEU 94 -3.655 -9.128 -2.110 750 HA LEU 94 HA LEU 94 -4.615 -11.033 -3.910 751 HB2 LEU 94 2HB LEU 94 -2.697 -11.346 -1.568 752 HB3 LEU 94 3HB LEU 94 -2.976 -12.607 -2.763 753 HG LEU 94 HG LEU 94 -1.872 -9.843 -3.410 754 HD11 LEU 94 1HD1 LEU 94 -0.364 -12.460 -3.189 755 HD12 LEU 94 2HD1 LEU 94 -0.259 -11.095 -2.074 756 HD13 LEU 94 3HD1 LEU 94 0.296 -10.915 -3.736 757 HD21 LEU 94 3HD2 LEU 94 -1.347 -10.787 -5.621 758 HD22 LEU 94 1HD2 LEU 94 -3.081 -10.814 -5.301 759 HD23 LEU 94 2HD2 LEU 94 -2.138 -12.301 -5.174 760 H GLU 95 H GLU 95 -5.036 -10.793 -0.390 761 HA GLU 95 HA GLU 95 -6.463 -13.129 0.170 762 HB2 GLU 95 2HB GLU 95 -5.520 -11.504 1.833 763 HB3 GLU 95 3HB GLU 95 -6.785 -10.361 1.437 764 HG2 GLU 95 2HG GLU 95 -7.269 -13.093 2.663 765 HG3 GLU 95 3HG GLU 95 -7.070 -11.621 3.607 766 H ALA 96 H ALA 96 -7.561 -10.007 -1.164 767 HA ALA 96 HA ALA 96 -10.382 -10.670 -1.139 768 HB1 ALA 96 3HB ALA 96 -9.608 -8.323 -1.018 769 HB2 ALA 96 1HB ALA 96 -10.660 -8.576 -2.409 770 HB3 ALA 96 2HB ALA 96 -8.912 -8.460 -2.633 771 H MET 97 H MET 97 -7.676 -11.335 -3.219 772 HA MET 97 HA MET 97 -9.337 -11.959 -5.583 773 HB2 MET 97 2HB MET 97 -6.293 -12.091 -5.214 774 HB3 MET 97 3HB MET 97 -7.161 -12.303 -6.731 775 HG2 MET 97 2HG MET 97 -7.020 -9.763 -5.108 776 HG3 MET 97 3HG MET 97 -6.149 -10.095 -6.605 777 HE1 MET 97 3HE MET 97 -8.883 -7.336 -7.458 778 HE2 MET 97 1HE MET 97 -7.156 -7.652 -7.320 779 HE3 MET 97 2HE MET 97 -8.153 -7.552 -5.866 780 H LYS 98 H LYS 98 -8.682 -13.418 -2.762 781 HA LYS 98 HA LYS 98 -8.912 -15.480 -1.901 782 HB2 LYS 98 2HB LYS 98 -9.404 -16.444 -4.747 783 HB3 LYS 98 3HB LYS 98 -9.706 -17.382 -3.289 784 HG2 LYS 98 2HG LYS 98 -11.126 -14.785 -3.998 785 HG3 LYS 98 3HG LYS 98 -11.775 -16.399 -4.291 786 HD2 LYS 98 2HD LYS 98 -11.096 -15.245 -1.555 787 HD3 LYS 98 3HD LYS 98 -12.719 -15.343 -2.241 788 HE2 LYS 98 2HE LYS 98 -10.923 -17.698 -1.550 789 HE3 LYS 98 3HE LYS 98 -12.339 -17.169 -0.643 790 HZ1 LYS 98 3HZ LYS 98 -12.861 -19.039 -2.039 791 HZ2 LYS 98 1HZ LYS 98 -12.341 -18.214 -3.419 792 HZ3 LYS 98 2HZ LYS 98 -13.706 -17.677 -2.579 793 H ASP 99 H ASP 99 -6.361 -14.453 -3.360 794 HA ASP 99 HA ASP 99 -4.810 -16.903 -3.710 795 HB2 ASP 99 2HB ASP 99 -4.154 -13.966 -4.205 796 HB3 ASP 99 3HB ASP 99 -2.980 -15.263 -4.412 797 H TYR 100 H TYR 100 -5.541 -16.867 -1.211 798 HA TYR 100 HA TYR 100 -3.963 -15.680 0.755 799 HB2 TYR 100 2HB TYR 100 -4.977 -18.563 0.843 800 HB3 TYR 100 3HB TYR 100 -4.713 -17.480 2.214 801 HD1 TYR 100 HD1 TYR 100 -6.022 -15.051 1.687 802 HD2 TYR 100 HD2 TYR 100 -7.278 -18.948 0.473 803 HE1 TYR 100 HE1 TYR 100 -8.315 -14.263 1.482 804 HE2 TYR 100 HE2 TYR 100 -9.588 -18.135 0.273 805 HH TYR 100 HH TYR 100 -10.352 -14.781 0.422 806 H THR 101 H THR 101 -3.414 -18.423 -1.294 807 HA THR 101 HA THR 101 -1.103 -19.593 -0.320 808 HB THR 101 HB THR 101 -0.786 -20.308 -2.746 809 HG1 THR 101 HG1 THR 101 -2.116 -19.485 -4.279 810 HG21 THR 101 3HG2 THR 101 -2.879 -21.620 -2.889 811 HG22 THR 101 1HG2 THR 101 -3.611 -20.607 -1.640 812 HG23 THR 101 2HG2 THR 101 -2.236 -21.642 -1.248 813 H LYS 102 H LYS 102 -1.529 -16.655 -2.263 814 HA LYS 102 HA LYS 102 1.362 -16.331 -2.703 815 HB2 LYS 102 2HB LYS 102 -0.949 -14.543 -3.581 816 HB3 LYS 102 3HB LYS 102 0.729 -14.373 -4.076 817 HG2 LYS 102 2HG LYS 102 -1.089 -16.706 -4.770 818 HG3 LYS 102 3HG LYS 102 -0.707 -15.356 -5.831 819 HD2 LYS 102 2HD LYS 102 0.738 -16.990 -6.642 820 HD3 LYS 102 3HD LYS 102 1.799 -16.155 -5.513 821 HE2 LYS 102 2HE LYS 102 1.346 -17.933 -3.831 822 HE3 LYS 102 3HE LYS 102 0.315 -18.759 -4.998 823 HZ1 LYS 102 3HZ LYS 102 2.212 -19.093 -6.416 824 HZ2 LYS 102 1HZ LYS 102 2.556 -19.689 -4.873 825 HZ3 LYS 102 2HZ LYS 102 3.212 -18.214 -5.375 826 H ALA 103 H ALA 103 -1.320 -14.892 -0.940 827 HA ALA 103 HA ALA 103 -0.149 -12.545 0.024 828 HB1 ALA 103 3HB ALA 103 -2.572 -12.984 0.070 829 HB2 ALA 103 1HB ALA 103 -1.976 -12.520 1.666 830 HB3 ALA 103 2HB ALA 103 -2.335 -14.215 1.313 831 H MET 104 H MET 104 -0.178 -15.819 1.349 832 HA MET 104 HA MET 104 0.943 -15.275 3.882 833 HB2 MET 104 2HB MET 104 1.225 -17.661 4.125 834 HB3 MET 104 3HB MET 104 -0.292 -17.368 3.294 835 HG2 MET 104 2HG MET 104 0.766 -17.951 1.145 836 HG3 MET 104 3HG MET 104 2.290 -18.246 1.984 837 HE1 MET 104 3HE MET 104 -1.505 -20.791 2.639 838 HE2 MET 104 1HE MET 104 -1.457 -19.350 1.632 839 HE3 MET 104 2HE MET 104 -1.321 -19.206 3.386 840 H ASP 105 H ASP 105 2.448 -15.711 0.728 841 HA ASP 105 HA ASP 105 5.144 -15.894 1.740 842 HB2 ASP 105 2HB ASP 105 4.111 -15.072 -1.018 843 HB3 ASP 105 3HB ASP 105 5.818 -15.295 -0.624 844 H VAL 106 H VAL 106 2.898 -13.286 0.920 845 HA VAL 106 HA VAL 106 4.948 -11.276 0.544 846 HB VAL 106 HB VAL 106 1.914 -10.952 0.813 847 HG11 VAL 106 1HG1 VAL 106 2.250 -8.747 -0.242 848 HG12 VAL 106 2HG1 VAL 106 3.996 -8.992 -0.229 849 HG13 VAL 106 3HG1 VAL 106 3.114 -8.849 1.292 850 HG21 VAL 106 3HG2 VAL 106 1.916 -10.804 -1.665 851 HG22 VAL 106 1HG2 VAL 106 2.534 -12.364 -1.116 852 HG23 VAL 106 2HG2 VAL 106 3.652 -11.125 -1.687 853 H TYR 107 H TYR 107 2.602 -12.084 3.111 854 HA TYR 107 HA TYR 107 3.219 -10.031 4.945 855 HB2 TYR 107 2HB TYR 107 1.648 -11.060 6.278 856 HB3 TYR 107 3HB TYR 107 1.395 -12.163 4.939 857 HD1 TYR 107 HD1 TYR 107 2.405 -14.463 5.027 858 HD2 TYR 107 HD2 TYR 107 2.749 -11.810 8.338 859 HE1 TYR 107 HE1 TYR 107 3.126 -16.337 6.445 860 HE2 TYR 107 HE2 TYR 107 3.456 -13.677 9.754 861 HH TYR 107 HH TYR 107 4.351 -16.714 8.519 862 H GLN 108 H GLN 108 4.672 -13.157 4.294 863 HA GLN 108 HA GLN 108 6.368 -13.395 6.558 864 HB2 GLN 108 2HB GLN 108 5.536 -15.225 4.914 865 HB3 GLN 108 3HB GLN 108 6.801 -14.685 3.827 866 HG2 GLN 108 2HG GLN 108 7.367 -15.675 6.625 867 HG3 GLN 108 3HG GLN 108 7.271 -16.753 5.236 868 HE21 GLN 108 1HE2 GLN 108 9.114 -14.233 6.777 869 HE22 GLN 108 2HE2 GLN 108 10.552 -14.441 5.843 870 H LYS 109 H LYS 109 6.784 -12.255 3.237 871 HA LYS 109 HA LYS 109 9.548 -11.589 3.471 872 HB2 LYS 109 2HB LYS 109 7.506 -10.804 1.352 873 HB3 LYS 109 3HB LYS 109 9.240 -10.515 1.230 874 HG2 LYS 109 2HG LYS 109 7.882 -13.223 1.365 875 HG3 LYS 109 3HG LYS 109 8.577 -12.488 -0.076 876 HD2 LYS 109 2HD LYS 109 10.189 -13.232 2.405 877 HD3 LYS 109 3HD LYS 109 9.996 -14.283 1.002 878 HE2 LYS 109 2HE LYS 109 11.138 -12.671 -0.425 879 HE3 LYS 109 3HE LYS 109 11.217 -11.508 0.900 880 HZ1 LYS 109 3HZ LYS 109 12.664 -13.002 2.106 881 HZ2 LYS 109 1HZ LYS 109 13.314 -12.671 0.583 882 HZ3 LYS 109 2HZ LYS 109 12.565 -14.158 0.876 883 H ALA 110 H ALA 110 6.553 -9.865 4.104 884 HA ALA 110 HA ALA 110 7.655 -7.255 4.418 885 HB1 ALA 110 3HB ALA 110 5.622 -6.748 5.709 886 HB2 ALA 110 1HB ALA 110 5.231 -8.472 5.810 887 HB3 ALA 110 2HB ALA 110 5.217 -7.651 4.249 888 H LEU 111 H LEU 111 7.030 -9.915 6.739 889 HA LEU 111 HA LEU 111 8.225 -8.707 9.020 890 HB2 LEU 111 2HB LEU 111 7.815 -11.656 8.373 891 HB3 LEU 111 3HB LEU 111 8.311 -11.050 9.946 892 HG LEU 111 HG LEU 111 5.619 -10.531 8.612 893 HD11 LEU 111 1HD1 LEU 111 5.884 -12.837 9.410 894 HD12 LEU 111 2HD1 LEU 111 4.700 -11.957 10.372 895 HD13 LEU 111 3HD1 LEU 111 6.319 -12.247 11.020 896 HD21 LEU 111 3HD2 LEU 111 6.563 -9.674 11.374 897 HD22 LEU 111 1HD2 LEU 111 4.936 -9.475 10.717 898 HD23 LEU 111 2HD2 LEU 111 6.287 -8.605 9.999 899 H ASP 112 H ASP 112 9.516 -10.449 6.312 900 HA ASP 112 HA ASP 112 12.054 -11.237 7.346 901 HB2 ASP 112 2HB ASP 112 11.008 -12.392 5.457 902 HB3 ASP 112 3HB ASP 112 10.971 -10.912 4.510 903 H LEU 113 H LEU 113 10.771 -8.311 5.971 904 HA LEU 113 HA LEU 113 13.345 -6.951 5.733 905 HB2 LEU 113 2HB LEU 113 10.496 -5.881 5.520 906 HB3 LEU 113 3HB LEU 113 11.955 -4.977 5.131 907 HG LEU 113 HG LEU 113 10.965 -7.448 3.663 908 HD11 LEU 113 1HD1 LEU 113 10.961 -4.553 2.785 909 HD12 LEU 113 2HD1 LEU 113 9.550 -5.529 3.207 910 HD13 LEU 113 3HD1 LEU 113 10.511 -5.941 1.789 911 HD21 LEU 113 3HD2 LEU 113 13.385 -5.710 3.098 912 HD22 LEU 113 1HD2 LEU 113 12.755 -6.964 2.023 913 HD23 LEU 113 2HD2 LEU 113 13.381 -7.403 3.609 914 H ASP 114 H ASP 114 10.340 -6.353 7.596 915 HA ASP 114 HA ASP 114 11.826 -5.954 10.074 916 HB2 ASP 114 2HB ASP 114 10.286 -3.728 8.705 917 HB3 ASP 114 3HB ASP 114 10.273 -3.807 10.462 918 H SER 115 H SER 115 10.850 -7.143 11.520 919 HA SER 115 HA SER 115 8.370 -8.380 11.401 920 HB2 SER 115 2HB SER 115 8.677 -8.783 13.864 921 HB3 SER 115 3HB SER 115 10.141 -9.115 12.936 922 HG SER 115 HG SER 115 10.695 -6.833 13.510 923 H SER 116 H SER 116 9.165 -5.141 12.414 924 HA SER 116 HA SER 116 7.047 -4.281 13.934 925 HB2 SER 116 2HB SER 116 9.067 -2.952 13.392 926 HB3 SER 116 3HB SER 116 8.481 -2.719 11.748 927 HG SER 116 HG SER 116 7.733 -1.500 14.114 928 H CYS 117 H CYS 117 6.960 -5.142 10.562 929 HA CYS 117 HA CYS 117 4.443 -3.915 9.914 930 HB2 CYS 117 2HB CYS 117 4.589 -5.117 7.843 931 HB3 CYS 117 3HB CYS 117 6.225 -4.604 8.258 932 HG CYS 117 HG CYS 117 7.293 -6.927 8.389 933 H LYS 118 H LYS 118 4.691 -6.036 12.296 934 HA LYS 118 HA LYS 118 3.307 -8.319 12.062 935 HB2 LYS 118 2HB LYS 118 2.759 -6.254 14.222 936 HB3 LYS 118 3HB LYS 118 2.260 -7.935 14.320 937 HG2 LYS 118 2HG LYS 118 5.106 -6.890 14.286 938 HG3 LYS 118 3HG LYS 118 4.243 -7.573 15.664 939 HD2 LYS 118 2HD LYS 118 5.017 -9.082 13.133 940 HD3 LYS 118 3HD LYS 118 5.852 -9.182 14.681 941 HE2 LYS 118 2HE LYS 118 2.971 -10.022 14.199 942 HE3 LYS 118 3HE LYS 118 4.351 -11.114 14.276 943 HZ1 LYS 118 3HZ LYS 118 4.701 -10.535 16.541 944 HZ2 LYS 118 1HZ LYS 118 3.082 -10.975 16.354 945 HZ3 LYS 118 2HZ LYS 118 3.506 -9.346 16.495 946 H GLU 119 H GLU 119 1.659 -5.218 11.537 947 HA GLU 119 HA GLU 119 -1.003 -5.897 11.558 948 HB2 GLU 119 2HB GLU 119 -1.279 -4.245 9.644 949 HB3 GLU 119 3HB GLU 119 -0.393 -3.633 11.038 950 HG2 GLU 119 2HG GLU 119 1.734 -3.923 9.891 951 HG3 GLU 119 3HG GLU 119 0.936 -4.687 8.516 952 H ALA 120 H ALA 120 1.300 -6.591 8.926 953 HA ALA 120 HA ALA 120 -0.430 -8.047 7.215 954 HB1 ALA 120 3HB ALA 120 1.711 -7.076 6.459 955 HB2 ALA 120 1HB ALA 120 1.654 -8.804 6.122 956 HB3 ALA 120 2HB ALA 120 2.604 -8.203 7.486 957 H ALA 121 H ALA 121 1.346 -8.976 10.142 958 HA ALA 121 HA ALA 121 1.286 -11.828 9.664 959 HB1 ALA 121 3HB ALA 121 1.752 -10.330 12.266 960 HB2 ALA 121 1HB ALA 121 3.000 -10.845 11.130 961 HB3 ALA 121 2HB ALA 121 2.042 -12.051 11.993 962 H ASP 122 H ASP 122 -0.664 -9.492 11.457 963 HA ASP 122 HA ASP 122 -2.674 -11.149 12.503 964 HB2 ASP 122 2HB ASP 122 -2.409 -8.755 13.111 965 HB3 ASP 122 3HB ASP 122 -2.832 -8.269 11.476 966 H GLY 123 H GLY 123 -2.313 -9.539 9.357 967 HA2 GLY 123 2HA GLY 123 -4.673 -10.353 8.070 968 HA3 GLY 123 3HA GLY 123 -3.162 -9.936 7.273 969 H TYR 124 H TYR 124 -1.529 -12.020 8.428 970 HA TYR 124 HA TYR 124 -2.038 -14.204 6.726 971 HB2 TYR 124 2HB TYR 124 0.203 -13.850 7.564 972 HB3 TYR 124 3HB TYR 124 -0.323 -14.076 9.231 973 HD1 TYR 124 HD1 TYR 124 -0.629 -15.999 5.989 974 HD2 TYR 124 HD2 TYR 124 0.367 -16.150 10.146 975 HE1 TYR 124 HE1 TYR 124 -0.118 -18.395 5.775 976 HE2 TYR 124 HE2 TYR 124 0.870 -18.547 9.935 977 HH TYR 124 HH TYR 124 1.260 -20.106 6.985 978 H GLN 125 H GLN 125 -2.626 -13.928 10.263 979 HA GLN 125 HA GLN 125 -3.658 -16.460 10.729 980 HB2 GLN 125 2HB GLN 125 -4.025 -13.797 12.069 981 HB3 GLN 125 3HB GLN 125 -5.130 -15.083 12.529 982 HG2 GLN 125 2HG GLN 125 -3.160 -14.891 14.033 983 HG3 GLN 125 3HG GLN 125 -3.336 -16.479 13.296 984 HE21 GLN 125 1HE2 GLN 125 -1.473 -13.542 13.289 985 HE22 GLN 125 2HE2 GLN 125 -0.086 -14.178 12.490 986 H ARG 126 H ARG 126 -5.272 -13.795 9.091 987 HA ARG 126 HA ARG 126 -7.782 -15.231 8.869 988 HB2 ARG 126 2HB ARG 126 -7.891 -12.807 8.762 989 HB3 ARG 126 3HB ARG 126 -6.709 -12.752 7.460 990 HG2 ARG 126 2HG ARG 126 -8.269 -13.700 5.887 991 HG3 ARG 126 3HG ARG 126 -9.434 -14.055 7.159 992 HD2 ARG 126 2HD ARG 126 -9.904 -11.707 7.480 993 HD3 ARG 126 3HD ARG 126 -8.569 -11.245 6.411 994 HE ARG 126 HE ARG 126 -9.942 -12.627 4.688 995 HH11 ARG 126 1HH1 ARG 126 -11.373 -10.459 7.078 996 HH12 ARG 126 2HH1 ARG 126 -12.733 -10.089 6.064 997 HH21 ARG 126 1HH2 ARG 126 -11.634 -12.059 3.373 998 HH22 ARG 126 2HH2 ARG 126 -12.883 -10.998 3.957 999 H CYS 127 H CYS 127 -4.851 -14.784 6.822 1000 HA CYS 127 HA CYS 127 -5.993 -15.752 4.394 1001 HB2 CYS 127 2HB CYS 127 -3.081 -15.547 5.264 1002 HB3 CYS 127 3HB CYS 127 -3.605 -15.907 3.617 1003 HG CYS 127 HG CYS 127 -4.875 -13.093 4.966 1004 H MET 128 H MET 128 -4.025 -17.376 6.895 1005 HA MET 128 HA MET 128 -3.769 -19.881 5.649 1006 HB2 MET 128 2HB MET 128 -3.291 -20.770 7.962 1007 HB3 MET 128 3HB MET 128 -2.302 -19.409 7.480 1008 HG2 MET 128 2HG MET 128 -3.472 -17.921 8.928 1009 HG3 MET 128 3HG MET 128 -4.757 -19.094 9.215 1010 HE1 MET 128 3HE MET 128 -2.989 -21.759 11.449 1011 HE2 MET 128 1HE MET 128 -3.206 -21.803 9.699 1012 HE3 MET 128 2HE MET 128 -4.514 -21.233 10.738 1013 H MET 129 H MET 129 -6.261 -18.672 7.943 1014 HA MET 129 HA MET 129 -7.601 -21.223 8.071 1015 HB2 MET 129 2HB MET 129 -9.216 -20.160 9.517 1016 HB3 MET 129 3HB MET 129 -7.617 -19.602 9.983 1017 HG2 MET 129 2HG MET 129 -7.986 -17.454 8.999 1018 HG3 MET 129 3HG MET 129 -9.486 -17.987 8.241 1019 HE1 MET 129 3HE MET 129 -11.002 -19.590 10.478 1020 HE2 MET 129 1HE MET 129 -11.768 -18.323 9.518 1021 HE3 MET 129 2HE MET 129 -11.916 -18.311 11.275 1022 H ALA 130 H ALA 130 -7.800 -18.398 6.077 1023 HA ALA 130 HA ALA 130 -10.507 -18.478 5.261 1024 HB1 ALA 130 3HB ALA 130 -8.115 -17.271 3.826 1025 HB2 ALA 130 1HB ALA 130 -9.092 -16.474 5.062 1026 HB3 ALA 130 2HB ALA 130 -9.814 -16.899 3.509 1027 H GLN 131 H GLN 131 -7.546 -19.768 3.739 1028 HA GLN 131 HA GLN 131 -8.840 -21.006 1.512 1029 HB2 GLN 131 2HB GLN 131 -6.674 -22.311 1.285 1030 HB3 GLN 131 3HB GLN 131 -6.465 -20.565 1.316 1031 HG2 GLN 131 2HG GLN 131 -5.698 -20.613 3.580 1032 HG3 GLN 131 3HG GLN 131 -6.125 -22.311 3.750 1033 HE21 GLN 131 1HE2 GLN 131 -3.637 -21.388 4.396 1034 HE22 GLN 131 2HE2 GLN 131 -2.485 -22.059 3.303 1035 H TYR 132 H TYR 132 -8.457 -21.942 4.847 1036 HA TYR 132 HA TYR 132 -9.296 -24.737 4.321 1037 HB2 TYR 132 2HB TYR 132 -8.324 -23.466 6.933 1038 HB3 TYR 132 3HB TYR 132 -8.602 -25.182 6.659 1039 HD1 TYR 132 HD1 TYR 132 -7.239 -25.043 3.761 1040 HD2 TYR 132 HD2 TYR 132 -6.009 -23.857 7.679 1041 HE1 TYR 132 HE1 TYR 132 -4.901 -25.255 3.084 1042 HE2 TYR 132 HE2 TYR 132 -3.655 -24.087 7.006 1043 HH TYR 132 HH TYR 132 -2.710 -24.453 3.748 1044 H ASN 133 H ASN 133 -11.096 -22.493 3.978 1045 HA ASN 133 HA ASN 133 -13.195 -23.158 5.964 1046 HB2 ASN 133 2HB ASN 133 -12.520 -20.547 4.598 1047 HB3 ASN 133 3HB ASN 133 -14.218 -20.891 4.873 1048 HD21 ASN 133 1HD2 ASN 133 -11.577 -21.797 7.063 1049 HD22 ASN 133 2HD2 ASN 133 -12.061 -20.739 8.337 Start of MODEL 18 1 H1 MET 1 1H MET 1 24.479 23.287 -25.231 2 H2 MET 1 2H MET 1 24.470 24.706 -24.316 3 H3 MET 1 3H MET 1 23.024 23.882 -24.609 4 HA MET 1 HA MET 1 23.787 22.004 -23.350 5 HB2 MET 1 2HB MET 1 26.231 23.752 -22.843 6 HB3 MET 1 3HB MET 1 25.874 22.284 -21.939 7 HG2 MET 1 2HG MET 1 26.006 20.990 -24.063 8 HG3 MET 1 3HG MET 1 26.455 22.471 -24.905 9 HE1 MET 1 3HE MET 1 29.078 20.353 -21.746 10 HE2 MET 1 1HE MET 1 27.539 19.732 -22.326 11 HE3 MET 1 2HE MET 1 27.574 21.166 -21.299 12 H GLY 2 H GLY 2 22.375 22.048 -21.722 13 HA2 GLY 2 2HA GLY 2 22.377 24.201 -19.722 14 HA3 GLY 2 3HA GLY 2 20.916 24.001 -20.683 15 H HIS 3 H HIS 3 22.794 21.177 -19.922 16 HA HIS 3 HA HIS 3 20.680 20.068 -18.255 17 HB2 HIS 3 2HB HIS 3 23.291 18.933 -19.321 18 HB3 HIS 3 3HB HIS 3 22.297 18.046 -18.174 19 HD1 HIS 3 HD1 HIS 3 22.960 17.789 -21.518 20 HD2 HIS 3 HD2 HIS 3 19.381 18.258 -19.461 21 HE1 HIS 3 HE1 HIS 3 21.173 16.908 -23.047 22 HE2 HIS 3 HE2 HIS 3 19.023 17.217 -21.776 23 H HIS 4 H HIS 4 21.276 22.085 -16.851 24 HA HIS 4 HA HIS 4 22.709 21.103 -14.486 25 HB2 HIS 4 2HB HIS 4 23.091 23.877 -15.730 26 HB3 HIS 4 3HB HIS 4 23.604 23.463 -14.101 27 HD1 HIS 4 HD1 HIS 4 25.838 22.309 -13.839 28 HD2 HIS 4 HD2 HIS 4 24.659 22.619 -17.807 29 HE1 HIS 4 HE1 HIS 4 27.837 21.635 -15.191 30 HE2 HIS 4 HE2 HIS 4 27.038 21.666 -17.573 31 H HIS 5 H HIS 5 21.667 21.632 -12.624 32 HA HIS 5 HA HIS 5 19.131 23.090 -12.710 33 HB2 HIS 5 2HB HIS 5 20.601 21.593 -10.493 34 HB3 HIS 5 3HB HIS 5 19.112 22.492 -10.208 35 HD1 HIS 5 HD1 HIS 5 17.020 21.192 -10.469 36 HD2 HIS 5 HD2 HIS 5 20.177 19.448 -12.533 37 HE1 HIS 5 HE1 HIS 5 16.105 19.075 -11.450 38 HE2 HIS 5 HE2 HIS 5 17.977 18.149 -12.844 39 H HIS 6 H HIS 6 18.742 24.870 -11.264 40 HA HIS 6 HA HIS 6 20.816 26.869 -11.138 41 HB2 HIS 6 2HB HIS 6 18.034 26.821 -9.849 42 HB3 HIS 6 3HB HIS 6 19.057 28.243 -10.000 43 HD1 HIS 6 HD1 HIS 6 18.812 29.596 -12.098 44 HD2 HIS 6 HD2 HIS 6 17.080 25.833 -12.447 45 HE1 HIS 6 HE1 HIS 6 17.562 29.615 -14.277 46 HE2 HIS 6 HE2 HIS 6 16.487 27.350 -14.437 47 H HIS 7 H HIS 7 20.357 28.019 -8.544 48 HA HIS 7 HA HIS 7 21.986 26.679 -6.733 49 HB2 HIS 7 2HB HIS 7 21.069 28.162 -5.012 50 HB3 HIS 7 3HB HIS 7 21.184 29.065 -6.518 51 HD1 HIS 7 HD1 HIS 7 18.843 28.122 -3.896 52 HD2 HIS 7 HD2 HIS 7 18.548 29.341 -7.853 53 HE1 HIS 7 HE1 HIS 7 16.450 28.762 -4.226 54 HE2 HIS 7 HE2 HIS 7 16.259 29.285 -6.673 55 H HIS 8 H HIS 8 21.539 25.395 -4.848 56 HA HIS 8 HA HIS 8 19.701 23.307 -4.896 57 HB2 HIS 8 2HB HIS 8 20.288 22.890 -2.569 58 HB3 HIS 8 3HB HIS 8 21.735 23.455 -3.397 59 HD1 HIS 8 HD1 HIS 8 19.864 24.000 -0.388 60 HD2 HIS 8 HD2 HIS 8 22.093 26.432 -2.917 61 HE1 HIS 8 HE1 HIS 8 20.344 26.077 0.924 62 HE2 HIS 8 HE2 HIS 8 21.535 27.597 -0.687 63 H SER 9 H SER 9 17.788 22.909 -3.518 64 HA SER 9 HA SER 9 15.752 24.800 -3.801 65 HB2 SER 9 2HB SER 9 15.343 22.354 -3.569 66 HB3 SER 9 3HB SER 9 15.837 22.425 -1.880 67 HG SER 9 HG SER 9 13.583 22.485 -2.077 68 H HIS 10 H HIS 10 14.445 25.868 -2.122 69 HA HIS 10 HA HIS 10 15.785 27.584 -0.391 70 HB2 HIS 10 2HB HIS 10 12.886 26.647 -0.425 71 HB3 HIS 10 3HB HIS 10 13.454 27.847 0.732 72 HD1 HIS 10 HD1 HIS 10 12.335 27.475 -2.774 73 HD2 HIS 10 HD2 HIS 10 14.289 30.337 -0.472 74 HE1 HIS 10 HE1 HIS 10 12.222 29.606 -4.096 75 HE2 HIS 10 HE2 HIS 10 13.537 31.278 -2.751 76 H MET 11 H MET 11 15.772 27.691 1.974 77 HA MET 11 HA MET 11 17.200 25.465 2.955 78 HB2 MET 11 2HB MET 11 16.215 27.955 4.386 79 HB3 MET 11 3HB MET 11 17.368 26.812 5.067 80 HG2 MET 11 2HG MET 11 18.935 27.299 3.214 81 HG3 MET 11 3HG MET 11 17.784 28.463 2.555 82 HE1 MET 11 3HE MET 11 20.561 30.854 3.880 83 HE2 MET 11 1HE MET 11 19.558 30.395 2.504 84 HE3 MET 11 2HE MET 11 20.801 29.290 3.101 85 H ASN 12 H ASN 12 13.836 26.181 3.198 86 HA ASN 12 HA ASN 12 12.996 24.451 5.257 87 HB2 ASN 12 2HB ASN 12 11.737 25.027 2.536 88 HB3 ASN 12 3HB ASN 12 10.910 24.140 3.819 89 HD21 ASN 12 1HD2 ASN 12 10.082 26.619 2.568 90 HD22 ASN 12 2HD2 ASN 12 10.004 27.806 3.822 91 HA PRO 13 HA PRO 13 14.719 20.519 4.373 92 HB2 PRO 13 2HB PRO 13 12.502 18.762 4.700 93 HB3 PRO 13 3HB PRO 13 13.581 19.342 5.979 94 HG2 PRO 13 2HG PRO 13 10.908 20.388 5.161 95 HG3 PRO 13 3HG PRO 13 11.598 20.218 6.791 96 HD2 PRO 13 2HD PRO 13 11.485 22.620 5.639 97 HD3 PRO 13 3HD PRO 13 12.929 22.162 6.573 98 H ASP 14 H ASP 14 11.425 20.368 2.847 99 HA ASP 14 HA ASP 14 12.384 21.009 0.292 100 HB2 ASP 14 2HB ASP 14 13.211 18.514 0.560 101 HB3 ASP 14 3HB ASP 14 11.521 18.079 0.318 102 H LEU 15 H LEU 15 10.675 21.831 -0.821 103 HA LEU 15 HA LEU 15 8.095 21.976 0.276 104 HB2 LEU 15 2HB LEU 15 9.049 22.613 -2.539 105 HB3 LEU 15 3HB LEU 15 7.444 22.997 -1.938 106 HG LEU 15 HG LEU 15 8.720 24.340 -0.073 107 HD11 LEU 15 1HD1 LEU 15 10.866 25.308 -0.695 108 HD12 LEU 15 2HD1 LEU 15 10.928 24.282 -2.131 109 HD13 LEU 15 3HD1 LEU 15 10.978 23.558 -0.523 110 HD21 LEU 15 3HD2 LEU 15 8.622 25.389 -2.913 111 HD22 LEU 15 1HD2 LEU 15 8.727 26.377 -1.451 112 HD23 LEU 15 2HD2 LEU 15 7.293 25.396 -1.752 113 H ALA 16 H ALA 16 9.465 19.706 -2.047 114 HA ALA 16 HA ALA 16 7.022 18.619 -3.023 115 HB1 ALA 16 3HB ALA 16 9.757 17.313 -2.939 116 HB2 ALA 16 1HB ALA 16 9.101 18.294 -4.251 117 HB3 ALA 16 2HB ALA 16 8.365 16.734 -3.867 118 H LEU 17 H LEU 17 8.721 18.119 0.022 119 HA LEU 17 HA LEU 17 7.139 15.715 0.591 120 HB2 LEU 17 2HB LEU 17 8.387 15.377 2.537 121 HB3 LEU 17 3HB LEU 17 9.541 16.001 1.383 122 HG LEU 17 HG LEU 17 8.947 18.332 2.655 123 HD11 LEU 17 1HD1 LEU 17 8.555 16.267 4.834 124 HD12 LEU 17 2HD1 LEU 17 7.320 17.352 4.193 125 HD13 LEU 17 3HD1 LEU 17 8.703 18.014 5.064 126 HD21 LEU 17 3HD2 LEU 17 10.972 18.066 3.976 127 HD22 LEU 17 1HD2 LEU 17 11.199 17.394 2.362 128 HD23 LEU 17 2HD2 LEU 17 10.935 16.313 3.734 129 H MET 18 H MET 18 6.730 19.085 0.756 130 HA MET 18 HA MET 18 4.946 19.133 3.063 131 HB2 MET 18 2HB MET 18 5.597 21.284 0.993 132 HB3 MET 18 3HB MET 18 4.650 21.537 2.462 133 HG2 MET 18 2HG MET 18 7.566 20.717 2.344 134 HG3 MET 18 3HG MET 18 6.943 22.312 2.774 135 HE1 MET 18 3HE MET 18 8.376 22.261 5.045 136 HE2 MET 18 1HE MET 18 9.005 20.672 4.596 137 HE3 MET 18 2HE MET 18 8.309 20.929 6.196 138 H VAL 19 H VAL 19 4.647 18.839 -0.437 139 HA VAL 19 HA VAL 19 1.868 19.421 -0.647 140 HB VAL 19 HB VAL 19 3.344 19.451 -2.628 141 HG11 VAL 19 1HG1 VAL 19 4.782 17.536 -2.136 142 HG12 VAL 19 2HG1 VAL 19 4.075 17.379 -3.742 143 HG13 VAL 19 3HG1 VAL 19 3.435 16.427 -2.401 144 HG21 VAL 19 3HG2 VAL 19 1.828 18.373 -4.258 145 HG22 VAL 19 1HG2 VAL 19 0.921 19.228 -3.006 146 HG23 VAL 19 2HG2 VAL 19 1.058 17.470 -2.950 147 H LYS 20 H LYS 20 3.643 16.466 0.152 148 HA LYS 20 HA LYS 20 1.299 14.766 0.071 149 HB2 LYS 20 2HB LYS 20 2.707 12.966 0.706 150 HB3 LYS 20 3HB LYS 20 3.672 13.968 -0.369 151 HG2 LYS 20 2HG LYS 20 4.772 14.970 1.664 152 HG3 LYS 20 3HG LYS 20 3.893 13.810 2.656 153 HD2 LYS 20 2HD LYS 20 6.162 12.998 2.272 154 HD3 LYS 20 3HD LYS 20 5.024 11.945 1.426 155 HE2 LYS 20 2HE LYS 20 5.558 13.026 -0.701 156 HE3 LYS 20 3HE LYS 20 6.580 14.201 0.121 157 HZ1 LYS 20 3HZ LYS 20 8.053 12.404 0.769 158 HZ2 LYS 20 1HZ LYS 20 7.880 12.475 -0.913 159 HZ3 LYS 20 2HZ LYS 20 7.069 11.285 -0.027 160 H ASN 21 H ASN 21 2.851 16.817 2.426 161 HA ASN 21 HA ASN 21 1.712 15.680 4.799 162 HB2 ASN 21 2HB ASN 21 2.842 18.454 4.220 163 HB3 ASN 21 3HB ASN 21 2.267 17.973 5.815 164 HD21 ASN 21 1HD2 ASN 21 4.948 18.777 4.968 165 HD22 ASN 21 2HD2 ASN 21 5.982 17.466 5.405 166 H LYS 22 H LYS 22 0.811 18.466 2.726 167 HA LYS 22 HA LYS 22 -1.687 18.920 4.088 168 HB2 LYS 22 2HB LYS 22 -2.125 20.537 2.246 169 HB3 LYS 22 3HB LYS 22 -0.597 20.801 3.063 170 HG2 LYS 22 2HG LYS 22 0.196 21.042 0.942 171 HG3 LYS 22 3HG LYS 22 0.293 19.285 1.000 172 HD2 LYS 22 2HD LYS 22 -0.725 19.880 -1.082 173 HD3 LYS 22 3HD LYS 22 -2.003 19.202 -0.072 174 HE2 LYS 22 2HE LYS 22 -2.750 21.517 0.491 175 HE3 LYS 22 3HE LYS 22 -1.483 22.162 -0.553 176 HZ1 LYS 22 3HZ LYS 22 -3.777 20.496 -1.415 177 HZ2 LYS 22 1HZ LYS 22 -2.535 21.030 -2.427 178 HZ3 LYS 22 2HZ LYS 22 -3.570 22.145 -1.696 179 H GLY 23 H GLY 23 -0.557 16.939 1.476 180 HA2 GLY 23 2HA GLY 23 -2.949 16.016 0.354 181 HA3 GLY 23 3HA GLY 23 -1.461 15.092 0.509 182 H ASN 24 H ASN 24 -1.094 14.757 3.106 183 HA ASN 24 HA ASN 24 -2.853 12.786 3.997 184 HB2 ASN 24 2HB ASN 24 -0.807 14.432 5.548 185 HB3 ASN 24 3HB ASN 24 -1.658 13.056 6.238 186 HD21 ASN 24 1HD2 ASN 24 1.202 13.509 5.778 187 HD22 ASN 24 2HD2 ASN 24 1.748 12.170 4.840 188 H GLU 25 H GLU 25 -2.760 16.298 4.737 189 HA GLU 25 HA GLU 25 -4.609 16.088 6.919 190 HB2 GLU 25 2HB GLU 25 -4.366 18.364 7.274 191 HB3 GLU 25 3HB GLU 25 -2.864 18.019 6.430 192 HG2 GLU 25 2HG GLU 25 -3.826 18.919 4.345 193 HG3 GLU 25 3HG GLU 25 -5.356 19.213 5.173 194 H CYS 26 H CYS 26 -4.963 16.837 3.434 195 HA CYS 26 HA CYS 26 -7.756 17.454 3.525 196 HB2 CYS 26 2HB CYS 26 -6.053 16.404 1.254 197 HB3 CYS 26 3HB CYS 26 -7.692 17.021 1.065 198 HG CYS 26 HG CYS 26 -5.296 18.996 2.452 199 H PHE 27 H PHE 27 -5.962 14.456 2.893 200 HA PHE 27 HA PHE 27 -8.087 12.662 2.458 201 HB2 PHE 27 2HB PHE 27 -5.714 12.175 1.964 202 HB3 PHE 27 3HB PHE 27 -5.320 12.225 3.675 203 HD1 PHE 27 HD2 PHE 27 -7.862 10.416 1.543 204 HD2 PHE 27 HD1 PHE 27 -4.830 10.110 4.540 205 HE1 PHE 27 HE2 PHE 27 -8.188 7.990 1.633 206 HE2 PHE 27 HE1 PHE 27 -5.166 7.676 4.624 207 HZ PHE 27 HZ PHE 27 -6.845 6.611 3.170 208 H GLN 28 H GLN 28 -6.632 13.949 5.380 209 HA GLN 28 HA GLN 28 -7.929 12.307 7.321 210 HB2 GLN 28 2HB GLN 28 -5.793 13.486 7.763 211 HB3 GLN 28 3HB GLN 28 -6.594 15.039 7.580 212 HG2 GLN 28 2HG GLN 28 -6.230 14.571 9.927 213 HG3 GLN 28 3HG GLN 28 -7.959 14.578 9.581 214 HE21 GLN 28 1HE2 GLN 28 -5.738 11.876 8.888 215 HE22 GLN 28 2HE2 GLN 28 -6.438 10.795 10.037 216 H LYS 29 H LYS 29 -8.955 15.108 5.464 217 HA LYS 29 HA LYS 29 -11.175 15.783 7.242 218 HB2 LYS 29 2HB LYS 29 -10.952 16.621 4.322 219 HB3 LYS 29 3HB LYS 29 -11.841 17.414 5.616 220 HG2 LYS 29 2HG LYS 29 -8.841 17.328 5.240 221 HG3 LYS 29 3HG LYS 29 -9.898 18.719 5.015 222 HD2 LYS 29 2HD LYS 29 -10.188 17.707 7.743 223 HD3 LYS 29 3HD LYS 29 -8.475 17.931 7.375 224 HE2 LYS 29 2HE LYS 29 -9.473 19.926 8.415 225 HE3 LYS 29 3HE LYS 29 -8.867 20.261 6.795 226 HZ1 LYS 29 3HZ LYS 29 -11.089 20.209 5.946 227 HZ2 LYS 29 1HZ LYS 29 -11.043 21.268 7.262 228 HZ3 LYS 29 2HZ LYS 29 -11.717 19.727 7.439 229 H GLY 30 H GLY 30 -10.491 13.302 5.058 230 HA2 GLY 30 2HA GLY 30 -11.883 11.404 4.900 231 HA3 GLY 30 3HA GLY 30 -13.315 12.418 5.014 232 H ASP 31 H ASP 31 -11.154 13.901 2.923 233 HA ASP 31 HA ASP 31 -12.740 13.244 0.601 234 HB2 ASP 31 2HB ASP 31 -10.136 14.841 0.775 235 HB3 ASP 31 3HB ASP 31 -11.236 14.800 -0.599 236 H TYR 32 H TYR 32 -12.432 11.004 0.273 237 HA TYR 32 HA TYR 32 -9.830 9.845 -0.144 238 HB2 TYR 32 2HB TYR 32 -12.656 8.814 -0.310 239 HB3 TYR 32 3HB TYR 32 -11.355 7.861 -1.012 240 HD1 TYR 32 HD1 TYR 32 -12.274 9.584 2.208 241 HD2 TYR 32 HD2 TYR 32 -10.195 6.348 0.347 242 HE1 TYR 32 HE1 TYR 32 -11.759 8.646 4.414 243 HE2 TYR 32 HE2 TYR 32 -9.685 5.419 2.552 244 HH TYR 32 HH TYR 32 -11.121 6.605 5.451 245 HA PRO 33 HA PRO 33 -11.128 10.016 -4.929 246 HB2 PRO 33 2HB PRO 33 -12.672 12.280 -5.544 247 HB3 PRO 33 3HB PRO 33 -13.321 10.635 -5.394 248 HG2 PRO 33 2HG PRO 33 -13.298 12.834 -3.355 249 HG3 PRO 33 3HG PRO 33 -14.610 11.709 -3.778 250 HD2 PRO 33 2HD PRO 33 -13.145 11.299 -1.584 251 HD3 PRO 33 3HD PRO 33 -13.644 9.921 -2.590 252 H GLN 34 H GLN 34 -11.297 13.196 -3.282 253 HA GLN 34 HA GLN 34 -9.494 14.558 -4.956 254 HB2 GLN 34 2HB GLN 34 -11.218 15.619 -3.491 255 HB3 GLN 34 3HB GLN 34 -10.277 15.172 -2.076 256 HG2 GLN 34 2HG GLN 34 -9.954 17.526 -2.607 257 HG3 GLN 34 3HG GLN 34 -8.443 16.641 -2.818 258 HE21 GLN 34 1HE2 GLN 34 -11.176 16.784 -5.131 259 HE22 GLN 34 2HE2 GLN 34 -10.286 17.608 -6.365 260 H ALA 35 H ALA 35 -8.963 12.599 -2.044 261 HA ALA 35 HA ALA 35 -6.255 13.107 -1.585 262 HB1 ALA 35 3HB ALA 35 -7.555 11.766 -0.036 263 HB2 ALA 35 1HB ALA 35 -6.127 10.877 -0.563 264 HB3 ALA 35 2HB ALA 35 -7.714 10.485 -1.240 265 H MET 36 H MET 36 -7.824 10.874 -3.814 266 HA MET 36 HA MET 36 -5.393 9.558 -4.596 267 HB2 MET 36 2HB MET 36 -7.512 8.373 -4.577 268 HB3 MET 36 3HB MET 36 -8.244 9.535 -5.671 269 HG2 MET 36 2HG MET 36 -5.899 7.843 -6.530 270 HG3 MET 36 3HG MET 36 -7.553 7.238 -6.604 271 HE1 MET 36 3HE MET 36 -9.446 8.253 -8.178 272 HE2 MET 36 1HE MET 36 -9.219 9.708 -9.147 273 HE3 MET 36 2HE MET 36 -9.228 9.816 -7.387 274 H LYS 37 H LYS 37 -7.231 12.323 -5.704 275 HA LYS 37 HA LYS 37 -5.888 12.797 -8.171 276 HB2 LYS 37 2HB LYS 37 -7.256 14.795 -6.321 277 HB3 LYS 37 3HB LYS 37 -6.758 15.120 -7.981 278 HG2 LYS 37 2HG LYS 37 -8.362 13.373 -8.765 279 HG3 LYS 37 3HG LYS 37 -8.892 13.162 -7.087 280 HD2 LYS 37 2HD LYS 37 -9.601 15.546 -7.021 281 HD3 LYS 37 3HD LYS 37 -9.072 15.750 -8.692 282 HE2 LYS 37 2HE LYS 37 -11.305 13.928 -7.739 283 HE3 LYS 37 3HE LYS 37 -11.510 15.480 -8.552 284 HZ1 LYS 37 3HZ LYS 37 -10.405 14.549 -10.497 285 HZ2 LYS 37 1HZ LYS 37 -11.785 13.665 -10.092 286 HZ3 LYS 37 2HZ LYS 37 -10.254 13.055 -9.722 287 H HIS 38 H HIS 38 -5.463 14.343 -4.923 288 HA HIS 38 HA HIS 38 -3.283 15.941 -5.889 289 HB2 HIS 38 2HB HIS 38 -3.053 16.827 -3.613 290 HB3 HIS 38 3HB HIS 38 -4.716 16.861 -4.165 291 HD1 HIS 38 HD1 HIS 38 -6.116 16.567 -2.197 292 HD2 HIS 38 HD2 HIS 38 -2.848 14.018 -2.074 293 HE1 HIS 38 HE1 HIS 38 -6.373 15.237 -0.102 294 HE2 HIS 38 HE2 HIS 38 -4.351 13.751 -0.004 295 H TYR 39 H TYR 39 -3.316 12.749 -4.491 296 HA TYR 39 HA TYR 39 -0.516 12.752 -3.822 297 HB2 TYR 39 2HB TYR 39 -2.484 10.468 -4.248 298 HB3 TYR 39 3HB TYR 39 -0.785 10.196 -3.864 299 HD1 TYR 39 HD2 TYR 39 -0.303 12.415 -1.872 300 HD2 TYR 39 HD1 TYR 39 -3.599 9.703 -2.222 301 HE1 TYR 39 HE2 TYR 39 -0.775 12.679 0.523 302 HE2 TYR 39 HE1 TYR 39 -4.062 9.984 0.185 303 HH TYR 39 HH TYR 39 -2.801 10.645 2.257 304 H THR 40 H THR 40 -2.344 12.291 -6.776 305 HA THR 40 HA THR 40 -0.304 11.246 -8.453 306 HB THR 40 HB THR 40 -2.669 13.035 -9.168 307 HG1 THR 40 HG1 THR 40 -3.124 10.960 -8.142 308 HG21 THR 40 3HG2 THR 40 -1.010 11.259 -10.999 309 HG22 THR 40 1HG2 THR 40 -1.043 13.024 -11.028 310 HG23 THR 40 2HG2 THR 40 -2.488 12.105 -11.460 311 H GLU 41 H GLU 41 -1.174 14.617 -7.564 312 HA GLU 41 HA GLU 41 0.807 15.789 -9.313 313 HB2 GLU 41 2HB GLU 41 0.178 17.934 -8.435 314 HB3 GLU 41 3HB GLU 41 -1.287 17.004 -8.701 315 HG2 GLU 41 2HG GLU 41 -1.475 16.553 -6.312 316 HG3 GLU 41 3HG GLU 41 0.040 17.391 -6.003 317 H ALA 42 H ALA 42 0.733 14.616 -6.050 318 HA ALA 42 HA ALA 42 3.217 15.775 -5.206 319 HB1 ALA 42 3HB ALA 42 1.696 13.386 -4.118 320 HB2 ALA 42 1HB ALA 42 1.546 15.058 -3.576 321 HB3 ALA 42 2HB ALA 42 3.060 14.186 -3.326 322 H ILE 43 H ILE 43 2.283 12.835 -6.961 323 HA ILE 43 HA ILE 43 4.831 11.606 -7.131 324 HB ILE 43 HB ILE 43 2.244 11.382 -8.621 325 HG12 ILE 43 2HG1 ILE 43 2.759 8.904 -8.479 326 HG13 ILE 43 3HG1 ILE 43 4.282 9.315 -7.708 327 HG21 ILE 43 1HG2 ILE 43 4.759 10.521 -10.069 328 HG22 ILE 43 2HG2 ILE 43 3.633 11.776 -10.586 329 HG23 ILE 43 3HG2 ILE 43 3.112 10.089 -10.542 330 HD11 ILE 43 3HD1 ILE 43 2.641 8.576 -6.115 331 HD12 ILE 43 1HD1 ILE 43 1.532 9.849 -6.621 332 HD13 ILE 43 2HD1 ILE 43 3.052 10.268 -5.825 333 H LYS 44 H LYS 44 3.360 14.296 -8.918 334 HA LYS 44 HA LYS 44 5.403 14.608 -10.899 335 HB2 LYS 44 2HB LYS 44 3.507 16.759 -9.858 336 HB3 LYS 44 3HB LYS 44 4.373 16.778 -11.393 337 HG2 LYS 44 2HG LYS 44 2.159 14.857 -10.608 338 HG3 LYS 44 3HG LYS 44 2.008 16.226 -11.712 339 HD2 LYS 44 2HD LYS 44 3.573 15.137 -13.290 340 HD3 LYS 44 3HD LYS 44 3.775 13.784 -12.171 341 HE2 LYS 44 2HE LYS 44 1.393 13.214 -12.419 342 HE3 LYS 44 3HE LYS 44 1.166 14.586 -13.507 343 HZ1 LYS 44 3HZ LYS 44 1.451 12.444 -14.655 344 HZ2 LYS 44 1HZ LYS 44 3.014 12.328 -14.029 345 HZ3 LYS 44 2HZ LYS 44 2.622 13.581 -15.091 346 H ARG 45 H ARG 45 5.280 15.359 -7.572 347 HA ARG 45 HA ARG 45 7.453 17.334 -7.658 348 HB2 ARG 45 2HB ARG 45 5.709 16.356 -5.365 349 HB3 ARG 45 3HB ARG 45 6.977 17.561 -5.210 350 HG2 ARG 45 2HG ARG 45 4.486 17.871 -6.911 351 HG3 ARG 45 3HG ARG 45 4.719 18.549 -5.303 352 HD2 ARG 45 2HD ARG 45 5.155 20.348 -6.756 353 HD3 ARG 45 3HD ARG 45 6.756 19.784 -6.305 354 HE ARG 45 HE ARG 45 6.734 18.558 -8.513 355 HH11 ARG 45 1HH1 ARG 45 4.893 21.545 -8.151 356 HH12 ARG 45 2HH1 ARG 45 4.955 21.904 -9.850 357 HH21 ARG 45 1HH2 ARG 45 6.778 19.043 -10.694 358 HH22 ARG 45 2HH2 ARG 45 6.019 20.495 -11.273 359 H ASN 46 H ASN 46 6.729 14.063 -6.534 360 HA ASN 46 HA ASN 46 9.584 13.452 -6.456 361 HB2 ASN 46 2HB ASN 46 9.194 12.106 -4.238 362 HB3 ASN 46 3HB ASN 46 9.503 13.825 -4.160 363 HD21 ASN 46 1HD2 ASN 46 6.465 11.974 -4.701 364 HD22 ASN 46 2HD2 ASN 46 5.635 12.722 -3.396 365 HA PRO 47 HA PRO 47 7.298 10.055 -8.595 366 HB2 PRO 47 2HB PRO 47 8.990 9.806 -10.722 367 HB3 PRO 47 3HB PRO 47 7.770 11.094 -10.642 368 HG2 PRO 47 2HG PRO 47 10.711 11.262 -10.035 369 HG3 PRO 47 3HG PRO 47 9.685 12.379 -10.966 370 HD2 PRO 47 2HD PRO 47 10.359 12.820 -8.340 371 HD3 PRO 47 3HD PRO 47 8.855 13.421 -9.069 372 H LYS 48 H LYS 48 10.537 10.399 -7.389 373 HA LYS 48 HA LYS 48 11.287 7.626 -7.493 374 HB2 LYS 48 2HB LYS 48 12.437 9.951 -5.882 375 HB3 LYS 48 3HB LYS 48 13.186 8.362 -6.031 376 HG2 LYS 48 2HG LYS 48 12.700 10.318 -8.300 377 HG3 LYS 48 3HG LYS 48 14.252 9.977 -7.521 378 HD2 LYS 48 2HD LYS 48 14.213 7.674 -8.334 379 HD3 LYS 48 3HD LYS 48 12.590 7.896 -9.001 380 HE2 LYS 48 2HE LYS 48 15.097 9.325 -9.908 381 HE3 LYS 48 3HE LYS 48 14.283 8.016 -10.757 382 HZ1 LYS 48 3HZ LYS 48 13.708 10.134 -11.713 383 HZ2 LYS 48 1HZ LYS 48 13.163 10.706 -10.219 384 HZ3 LYS 48 2HZ LYS 48 12.339 9.451 -10.996 385 H ASP 49 H ASP 49 9.230 9.451 -5.446 386 HA ASP 49 HA ASP 49 9.691 7.923 -3.007 387 HB2 ASP 49 2HB ASP 49 9.076 10.428 -3.092 388 HB3 ASP 49 3HB ASP 49 7.459 9.930 -3.552 389 H ALA 50 H ALA 50 9.120 5.825 -3.441 390 HA ALA 50 HA ALA 50 6.889 4.985 -4.981 391 HB1 ALA 50 3HB ALA 50 7.507 2.720 -4.335 392 HB2 ALA 50 1HB ALA 50 8.535 3.341 -3.039 393 HB3 ALA 50 2HB ALA 50 8.953 3.654 -4.721 394 H LYS 51 H LYS 51 7.208 5.762 -1.585 395 HA LYS 51 HA LYS 51 5.005 4.224 -0.650 396 HB2 LYS 51 2HB LYS 51 5.253 5.339 1.436 397 HB3 LYS 51 3HB LYS 51 6.863 5.115 0.800 398 HG2 LYS 51 2HG LYS 51 7.021 7.246 1.694 399 HG3 LYS 51 3HG LYS 51 6.635 7.617 0.013 400 HD2 LYS 51 2HD LYS 51 5.347 9.019 1.619 401 HD3 LYS 51 3HD LYS 51 4.297 8.038 0.598 402 HE2 LYS 51 2HE LYS 51 4.110 6.390 2.503 403 HE3 LYS 51 3HE LYS 51 5.026 7.517 3.504 404 HZ1 LYS 51 3HZ LYS 51 3.287 9.151 3.204 405 HZ2 LYS 51 1HZ LYS 51 2.652 7.723 3.850 406 HZ3 LYS 51 2HZ LYS 51 2.416 8.088 2.217 407 H LEU 52 H LEU 52 5.346 7.285 -2.223 408 HA LEU 52 HA LEU 52 2.788 8.367 -1.607 409 HB2 LEU 52 2HB LEU 52 5.179 9.331 -2.721 410 HB3 LEU 52 3HB LEU 52 4.067 9.422 -4.064 411 HG LEU 52 HG LEU 52 4.203 11.538 -2.752 412 HD11 LEU 52 1HD1 LEU 52 2.145 11.071 -4.003 413 HD12 LEU 52 2HD1 LEU 52 1.798 11.950 -2.517 414 HD13 LEU 52 3HD1 LEU 52 1.467 10.219 -2.611 415 HD21 LEU 52 3HD2 LEU 52 2.982 9.909 -0.490 416 HD22 LEU 52 1HD2 LEU 52 3.259 11.650 -0.495 417 HD23 LEU 52 2HD2 LEU 52 4.631 10.546 -0.537 418 H TYR 53 H TYR 53 4.060 6.326 -4.148 419 HA TYR 53 HA TYR 53 1.749 6.231 -5.785 420 HB2 TYR 53 2HB TYR 53 3.957 4.187 -5.310 421 HB3 TYR 53 3HB TYR 53 2.669 3.956 -6.491 422 HD1 TYR 53 HD2 TYR 53 5.383 6.387 -5.559 423 HD2 TYR 53 HD1 TYR 53 2.959 4.806 -8.699 424 HE1 TYR 53 HE2 TYR 53 6.651 7.703 -7.187 425 HE2 TYR 53 HE1 TYR 53 4.221 6.133 -10.331 426 HH TYR 53 HH TYR 53 7.172 7.621 -9.619 427 H SER 54 H SER 54 2.869 4.184 -3.054 428 HA SER 54 HA SER 54 0.654 2.444 -2.943 429 HB2 SER 54 2HB SER 54 2.862 1.967 -1.942 430 HB3 SER 54 3HB SER 54 2.595 3.226 -0.738 431 HG SER 54 HG SER 54 0.531 1.465 -0.782 432 H ASN 55 H ASN 55 1.004 5.703 -1.701 433 HA ASN 55 HA ASN 55 -1.085 5.876 0.174 434 HB2 ASN 55 2HB ASN 55 0.072 7.900 -1.772 435 HB3 ASN 55 3HB ASN 55 -1.281 8.327 -0.735 436 HD21 ASN 55 1HD2 ASN 55 0.113 9.954 0.059 437 HD22 ASN 55 2HD2 ASN 55 1.279 9.600 1.274 438 H ARG 56 H ARG 56 -1.139 5.833 -3.333 439 HA ARG 56 HA ARG 56 -3.845 6.560 -3.766 440 HB2 ARG 56 2HB ARG 56 -2.059 4.825 -5.541 441 HB3 ARG 56 3HB ARG 56 -3.533 5.655 -6.043 442 HG2 ARG 56 2HG ARG 56 -2.447 7.838 -5.618 443 HG3 ARG 56 3HG ARG 56 -0.975 7.009 -5.110 444 HD2 ARG 56 2HD ARG 56 -2.213 6.946 -7.884 445 HD3 ARG 56 3HD ARG 56 -0.765 7.835 -7.409 446 HE ARG 56 HE ARG 56 -0.373 5.094 -6.846 447 HH11 ARG 56 1HH1 ARG 56 -0.656 7.197 -9.653 448 HH12 ARG 56 2HH1 ARG 56 0.298 6.182 -10.666 449 HH21 ARG 56 1HH2 ARG 56 0.879 3.774 -8.235 450 HH22 ARG 56 2HH2 ARG 56 1.167 4.248 -9.873 451 H ALA 57 H ALA 57 -2.221 3.354 -3.408 452 HA ALA 57 HA ALA 57 -4.520 1.714 -3.636 453 HB1 ALA 57 3HB ALA 57 -3.188 -0.040 -2.529 454 HB2 ALA 57 1HB ALA 57 -1.983 1.165 -2.052 455 HB3 ALA 57 2HB ALA 57 -2.241 0.797 -3.758 456 H ALA 58 H ALA 58 -3.089 3.390 -0.896 457 HA ALA 58 HA ALA 58 -4.631 2.271 1.186 458 HB1 ALA 58 3HB ALA 58 -3.855 4.189 2.521 459 HB2 ALA 58 1HB ALA 58 -3.303 4.999 1.048 460 HB3 ALA 58 2HB ALA 58 -2.535 3.500 1.573 461 H CYS 59 H CYS 59 -5.301 4.875 -1.106 462 HA CYS 59 HA CYS 59 -7.858 5.566 0.077 463 HB2 CYS 59 2HB CYS 59 -6.747 6.199 -2.691 464 HB3 CYS 59 3HB CYS 59 -8.154 6.949 -1.936 465 HG CYS 59 HG CYS 59 -5.188 7.164 -0.309 466 H TYR 60 H TYR 60 -6.683 3.604 -2.664 467 HA TYR 60 HA TYR 60 -9.042 3.204 -4.083 468 HB2 TYR 60 2HB TYR 60 -6.511 1.528 -3.952 469 HB3 TYR 60 3HB TYR 60 -7.839 1.116 -5.027 470 HD1 TYR 60 HD1 TYR 60 -8.488 4.110 -5.784 471 HD2 TYR 60 HD2 TYR 60 -4.884 1.807 -5.707 472 HE1 TYR 60 HE1 TYR 60 -7.554 5.487 -7.587 473 HE2 TYR 60 HE2 TYR 60 -3.954 3.191 -7.499 474 HH TYR 60 HH TYR 60 -4.750 4.635 -9.320 475 H THR 61 H THR 61 -7.735 1.347 -1.383 476 HA THR 61 HA THR 61 -9.386 -0.904 -1.514 477 HB THR 61 HB THR 61 -8.976 -1.004 1.030 478 HG1 THR 61 HG1 THR 61 -7.081 0.621 1.413 479 HG21 THR 61 3HG2 THR 61 -6.572 -1.509 0.787 480 HG22 THR 61 1HG2 THR 61 -6.537 -0.669 -0.766 481 HG23 THR 61 2HG2 THR 61 -7.478 -2.152 -0.583 482 H LYS 62 H LYS 62 -9.934 2.240 0.169 483 HA LYS 62 HA LYS 62 -12.600 1.433 1.055 484 HB2 LYS 62 2HB LYS 62 -10.928 3.907 1.465 485 HB3 LYS 62 3HB LYS 62 -12.658 3.982 1.758 486 HG2 LYS 62 2HG LYS 62 -11.582 3.599 3.859 487 HG3 LYS 62 3HG LYS 62 -12.433 2.124 3.410 488 HD2 LYS 62 2HD LYS 62 -10.294 1.532 4.366 489 HD3 LYS 62 3HD LYS 62 -10.252 1.155 2.641 490 HE2 LYS 62 2HE LYS 62 -8.152 2.183 3.333 491 HE3 LYS 62 3HE LYS 62 -9.006 3.264 2.236 492 HZ1 LYS 62 3HZ LYS 62 -8.851 3.503 5.196 493 HZ2 LYS 62 1HZ LYS 62 -9.774 4.513 4.207 494 HZ3 LYS 62 2HZ LYS 62 -8.093 4.496 4.062 495 H LEU 63 H LEU 63 -11.244 2.912 -1.701 496 HA LEU 63 HA LEU 63 -13.772 4.005 -2.665 497 HB2 LEU 63 2HB LEU 63 -11.044 3.692 -3.998 498 HB3 LEU 63 3HB LEU 63 -12.437 4.436 -4.772 499 HG LEU 63 HG LEU 63 -10.941 5.488 -2.338 500 HD11 LEU 63 1HD1 LEU 63 -10.415 7.418 -3.763 501 HD12 LEU 63 2HD1 LEU 63 -11.229 6.648 -5.129 502 HD13 LEU 63 3HD1 LEU 63 -9.776 5.918 -4.439 503 HD21 LEU 63 3HD2 LEU 63 -13.503 6.523 -3.599 504 HD22 LEU 63 1HD2 LEU 63 -12.512 7.421 -2.445 505 HD23 LEU 63 2HD2 LEU 63 -13.274 5.911 -1.953 506 H LEU 64 H LEU 64 -12.578 0.906 -2.299 507 HA LEU 64 HA LEU 64 -13.090 -1.122 -3.104 508 HB2 LEU 64 2HB LEU 64 -15.428 0.357 -4.347 509 HB3 LEU 64 3HB LEU 64 -15.218 -1.366 -4.574 510 HG LEU 64 HG LEU 64 -16.860 -1.036 -2.849 511 HD11 LEU 64 1HD1 LEU 64 -15.920 -2.265 -0.965 512 HD12 LEU 64 2HD1 LEU 64 -14.283 -1.917 -1.526 513 HD13 LEU 64 3HD1 LEU 64 -15.358 -2.925 -2.500 514 HD21 LEU 64 3HD2 LEU 64 -16.320 1.249 -2.159 515 HD22 LEU 64 1HD2 LEU 64 -14.871 0.679 -1.328 516 HD23 LEU 64 2HD2 LEU 64 -16.471 0.193 -0.756 517 H GLU 65 H GLU 65 -11.507 0.935 -4.733 518 HA GLU 65 HA GLU 65 -11.457 -0.218 -7.414 519 HB2 GLU 65 2HB GLU 65 -9.856 2.029 -6.109 520 HB3 GLU 65 3HB GLU 65 -9.739 1.575 -7.806 521 HG2 GLU 65 2HG GLU 65 -12.201 2.670 -6.416 522 HG3 GLU 65 3HG GLU 65 -11.131 3.567 -7.497 523 H PHE 66 H PHE 66 -10.866 -2.106 -5.531 524 HA PHE 66 HA PHE 66 -8.235 -2.425 -4.679 525 HB2 PHE 66 2HB PHE 66 -10.426 -4.436 -5.267 526 HB3 PHE 66 3HB PHE 66 -8.853 -4.940 -4.671 527 HD1 PHE 66 HD2 PHE 66 -11.989 -3.182 -3.790 528 HD2 PHE 66 HD1 PHE 66 -8.190 -4.552 -2.362 529 HE1 PHE 66 HE2 PHE 66 -12.736 -2.875 -1.466 530 HE2 PHE 66 HE1 PHE 66 -8.954 -4.247 -0.044 531 HZ PHE 66 HZ PHE 66 -11.229 -3.409 0.405 532 H GLN 67 H GLN 67 -9.641 -3.089 -7.865 533 HA GLN 67 HA GLN 67 -7.597 -4.672 -9.004 534 HB2 GLN 67 2HB GLN 67 -9.287 -2.548 -10.398 535 HB3 GLN 67 3HB GLN 67 -8.366 -3.810 -11.205 536 HG2 GLN 67 2HG GLN 67 -10.779 -4.205 -9.422 537 HG3 GLN 67 3HG GLN 67 -10.731 -4.342 -11.180 538 HE21 GLN 67 1HE2 GLN 67 -9.915 -5.860 -8.170 539 HE22 GLN 67 2HE2 GLN 67 -9.510 -7.407 -8.819 540 H LEU 68 H LEU 68 -7.937 -1.172 -8.618 541 HA LEU 68 HA LEU 68 -5.560 -0.488 -10.099 542 HB2 LEU 68 2HB LEU 68 -7.146 1.240 -8.154 543 HB3 LEU 68 3HB LEU 68 -5.994 1.803 -9.354 544 HG LEU 68 HG LEU 68 -8.751 0.624 -9.876 545 HD11 LEU 68 1HD1 LEU 68 -7.655 3.406 -10.391 546 HD12 LEU 68 2HD1 LEU 68 -8.791 2.943 -9.121 547 HD13 LEU 68 3HD1 LEU 68 -9.274 2.831 -10.811 548 HD21 LEU 68 3HD2 LEU 68 -6.641 1.414 -11.914 549 HD22 LEU 68 1HD2 LEU 68 -8.331 1.050 -12.283 550 HD23 LEU 68 2HD2 LEU 68 -7.290 -0.205 -11.620 551 H ALA 69 H ALA 69 -6.475 -1.032 -6.740 552 HA ALA 69 HA ALA 69 -4.139 -0.150 -5.425 553 HB1 ALA 69 3HB ALA 69 -4.941 -1.454 -3.510 554 HB2 ALA 69 1HB ALA 69 -6.084 -2.316 -4.547 555 HB3 ALA 69 2HB ALA 69 -6.280 -0.587 -4.260 556 H LEU 70 H LEU 70 -4.969 -3.254 -6.954 557 HA LEU 70 HA LEU 70 -2.729 -4.765 -6.145 558 HB2 LEU 70 2HB LEU 70 -4.305 -4.937 -8.740 559 HB3 LEU 70 3HB LEU 70 -3.141 -6.138 -8.209 560 HG LEU 70 HG LEU 70 -5.786 -5.485 -6.855 561 HD11 LEU 70 1HD1 LEU 70 -6.470 -7.726 -7.550 562 HD12 LEU 70 2HD1 LEU 70 -4.921 -7.965 -8.362 563 HD13 LEU 70 3HD1 LEU 70 -6.046 -6.733 -8.946 564 HD21 LEU 70 3HD2 LEU 70 -5.310 -7.387 -5.346 565 HD22 LEU 70 1HD2 LEU 70 -4.137 -6.086 -5.149 566 HD23 LEU 70 2HD2 LEU 70 -3.697 -7.540 -6.047 567 H LYS 71 H LYS 71 -3.217 -3.057 -9.287 568 HA LYS 71 HA LYS 71 -0.600 -3.537 -10.252 569 HB2 LYS 71 2HB LYS 71 -1.102 -1.881 -12.024 570 HB3 LYS 71 3HB LYS 71 -2.382 -3.068 -11.826 571 HG2 LYS 71 2HG LYS 71 -3.897 -1.516 -10.963 572 HG3 LYS 71 3HG LYS 71 -2.638 -0.417 -10.408 573 HD2 LYS 71 2HD LYS 71 -3.131 -0.885 -13.368 574 HD3 LYS 71 3HD LYS 71 -4.076 0.289 -12.449 575 HE2 LYS 71 2HE LYS 71 -2.265 1.467 -13.536 576 HE3 LYS 71 3HE LYS 71 -1.941 1.441 -11.808 577 HZ1 LYS 71 3HZ LYS 71 -0.338 -0.321 -12.169 578 HZ2 LYS 71 1HZ LYS 71 0.037 1.022 -13.121 579 HZ3 LYS 71 2HZ LYS 71 -0.681 -0.338 -13.824 580 H ASP 72 H ASP 72 -1.924 -0.888 -8.388 581 HA ASP 72 HA ASP 72 0.221 0.946 -8.636 582 HB2 ASP 72 2HB ASP 72 -1.927 1.726 -7.846 583 HB3 ASP 72 3HB ASP 72 -1.939 0.564 -6.522 584 H CYS 73 H CYS 73 -0.509 -1.571 -6.214 585 HA CYS 73 HA CYS 73 1.829 -1.122 -4.633 586 HB2 CYS 73 2HB CYS 73 -0.252 -2.180 -3.761 587 HB3 CYS 73 3HB CYS 73 0.085 -3.604 -4.746 588 HG CYS 73 HG CYS 73 2.321 -2.473 -2.437 589 H GLU 74 H GLU 74 1.125 -3.070 -7.471 590 HA GLU 74 HA GLU 74 3.458 -4.717 -7.432 591 HB2 GLU 74 2HB GLU 74 1.594 -3.924 -9.705 592 HB3 GLU 74 3HB GLU 74 2.939 -5.043 -9.918 593 HG2 GLU 74 2HG GLU 74 1.959 -6.588 -8.306 594 HG3 GLU 74 3HG GLU 74 0.656 -5.459 -7.969 595 H GLU 75 H GLU 75 2.758 -1.547 -8.964 596 HA GLU 75 HA GLU 75 5.361 -1.417 -10.210 597 HB2 GLU 75 2HB GLU 75 4.747 0.869 -10.868 598 HB3 GLU 75 3HB GLU 75 3.493 -0.294 -11.270 599 HG2 GLU 75 2HG GLU 75 2.182 0.460 -9.310 600 HG3 GLU 75 3HG GLU 75 3.434 1.643 -8.937 601 H CYS 76 H CYS 76 4.004 -0.385 -7.151 602 HA CYS 76 HA CYS 76 5.959 1.431 -6.263 603 HB2 CYS 76 2HB CYS 76 3.820 1.168 -5.121 604 HB3 CYS 76 3HB CYS 76 4.210 -0.490 -4.678 605 HG CYS 76 HG CYS 76 6.636 0.882 -3.327 606 H ILE 77 H ILE 77 6.036 -2.088 -6.458 607 HA ILE 77 HA ILE 77 8.282 -2.507 -4.742 608 HB ILE 77 HB ILE 77 6.488 -4.257 -5.714 609 HG12 ILE 77 2HG1 ILE 77 8.427 -4.668 -4.020 610 HG13 ILE 77 3HG1 ILE 77 7.761 -6.056 -4.862 611 HG21 ILE 77 1HG2 ILE 77 7.140 -4.066 -8.093 612 HG22 ILE 77 2HG2 ILE 77 7.363 -5.710 -7.504 613 HG23 ILE 77 3HG2 ILE 77 8.755 -4.650 -7.707 614 HD11 ILE 77 3HD1 ILE 77 9.685 -6.161 -6.316 615 HD12 ILE 77 1HD1 ILE 77 10.204 -6.113 -4.634 616 HD13 ILE 77 2HD1 ILE 77 10.329 -4.666 -5.630 617 H GLN 78 H GLN 78 7.911 -1.500 -8.084 618 HA GLN 78 HA GLN 78 10.521 -2.305 -9.013 619 HB2 GLN 78 2HB GLN 78 8.568 -0.297 -10.232 620 HB3 GLN 78 3HB GLN 78 9.966 -0.995 -11.046 621 HG2 GLN 78 2HG GLN 78 7.525 -2.524 -10.092 622 HG3 GLN 78 3HG GLN 78 7.864 -2.062 -11.759 623 HE21 GLN 78 1HE2 GLN 78 7.446 -4.723 -10.605 624 HE22 GLN 78 2HE2 GLN 78 8.868 -5.638 -10.977 625 H LEU 79 H LEU 79 9.181 0.515 -7.472 626 HA LEU 79 HA LEU 79 11.582 2.143 -7.912 627 HB2 LEU 79 2HB LEU 79 8.968 2.783 -6.504 628 HB3 LEU 79 3HB LEU 79 10.265 3.932 -6.809 629 HG LEU 79 HG LEU 79 8.630 2.529 -8.966 630 HD11 LEU 79 1HD1 LEU 79 8.497 5.402 -8.014 631 HD12 LEU 79 2HD1 LEU 79 7.286 4.149 -7.730 632 HD13 LEU 79 3HD1 LEU 79 7.602 4.707 -9.370 633 HD21 LEU 79 3HD2 LEU 79 10.896 3.009 -9.744 634 HD22 LEU 79 1HD2 LEU 79 10.755 4.689 -9.215 635 HD23 LEU 79 2HD2 LEU 79 9.744 4.082 -10.528 636 H GLU 80 H GLU 80 9.865 0.438 -5.286 637 HA GLU 80 HA GLU 80 12.329 0.564 -3.672 638 HB2 GLU 80 2HB GLU 80 10.936 2.427 -2.838 639 HB3 GLU 80 3HB GLU 80 9.599 1.321 -2.555 640 HG2 GLU 80 2HG GLU 80 10.759 1.875 -0.460 641 HG3 GLU 80 3HG GLU 80 10.885 0.155 -0.824 642 HA PRO 81 HA PRO 81 10.839 -3.764 -3.701 643 HB2 PRO 81 2HB PRO 81 13.262 -4.953 -3.260 644 HB3 PRO 81 3HB PRO 81 12.809 -4.282 -4.842 645 HG2 PRO 81 2HG PRO 81 14.495 -3.026 -2.691 646 HG3 PRO 81 3HG PRO 81 14.808 -3.140 -4.440 647 HD2 PRO 81 2HD PRO 81 13.777 -0.889 -3.313 648 HD3 PRO 81 3HD PRO 81 13.342 -1.402 -4.959 649 H THR 82 H THR 82 12.366 -1.987 -1.094 650 HA THR 82 HA THR 82 11.681 -4.148 0.825 651 HB THR 82 HB THR 82 13.219 -3.075 2.434 652 HG1 THR 82 HG1 THR 82 13.132 -1.018 0.693 653 HG21 THR 82 3HG2 THR 82 14.546 -3.628 -0.251 654 HG22 THR 82 1HG2 THR 82 14.111 -4.844 0.962 655 HG23 THR 82 2HG2 THR 82 15.346 -3.639 1.321 656 H PHE 83 H PHE 83 9.937 -1.831 -0.377 657 HA PHE 83 HA PHE 83 9.188 -0.295 1.934 658 HB2 PHE 83 2HB PHE 83 8.751 0.506 -0.413 659 HB3 PHE 83 3HB PHE 83 7.520 -0.744 -0.582 660 HD1 PHE 83 HD2 PHE 83 8.371 1.668 2.182 661 HD2 PHE 83 HD1 PHE 83 5.366 0.267 -0.526 662 HE1 PHE 83 HE2 PHE 83 6.719 3.137 3.249 663 HE2 PHE 83 HE1 PHE 83 3.725 1.744 0.559 664 HZ PHE 83 HZ PHE 83 4.394 3.174 2.440 665 H ILE 84 H ILE 84 8.681 -1.524 3.620 666 HA ILE 84 HA ILE 84 7.569 -4.104 3.602 667 HB ILE 84 HB ILE 84 7.641 -2.172 5.967 668 HG12 ILE 84 2HG1 ILE 84 9.855 -4.058 5.020 669 HG13 ILE 84 3HG1 ILE 84 9.876 -2.307 4.860 670 HG21 ILE 84 1HG2 ILE 84 7.782 -4.200 7.362 671 HG22 ILE 84 2HG2 ILE 84 7.695 -5.212 5.919 672 HG23 ILE 84 3HG2 ILE 84 6.315 -4.212 6.378 673 HD11 ILE 84 3HD1 ILE 84 11.263 -3.028 6.694 674 HD12 ILE 84 1HD1 ILE 84 9.898 -3.849 7.450 675 HD13 ILE 84 2HD1 ILE 84 9.898 -2.089 7.298 676 H LYS 85 H LYS 85 6.106 -0.914 4.085 677 HA LYS 85 HA LYS 85 3.534 -1.841 4.929 678 HB2 LYS 85 2HB LYS 85 4.241 0.848 3.709 679 HB3 LYS 85 3HB LYS 85 2.793 0.477 4.633 680 HG2 LYS 85 2HG LYS 85 5.625 0.463 5.740 681 HG3 LYS 85 3HG LYS 85 4.478 1.785 5.906 682 HD2 LYS 85 2HD LYS 85 4.287 0.714 7.974 683 HD3 LYS 85 3HD LYS 85 2.942 0.009 7.081 684 HE2 LYS 85 2HE LYS 85 4.374 -2.002 6.624 685 HE3 LYS 85 3HE LYS 85 5.651 -1.277 7.596 686 HZ1 LYS 85 3HZ LYS 85 4.357 -2.883 8.839 687 HZ2 LYS 85 1HZ LYS 85 2.945 -1.998 8.572 688 HZ3 LYS 85 2HZ LYS 85 4.192 -1.340 9.503 689 H GLY 86 H GLY 86 5.043 -1.345 1.833 690 HA2 GLY 86 2HA GLY 86 2.762 -1.489 0.148 691 HA3 GLY 86 3HA GLY 86 4.413 -1.911 -0.291 692 H TYR 87 H TYR 87 4.887 -3.931 1.613 693 HA TYR 87 HA TYR 87 3.573 -6.202 0.460 694 HB2 TYR 87 2HB TYR 87 5.527 -5.924 2.785 695 HB3 TYR 87 3HB TYR 87 4.893 -7.483 2.253 696 HD1 TYR 87 HD1 TYR 87 7.039 -4.613 1.239 697 HD2 TYR 87 HD2 TYR 87 5.719 -8.541 0.225 698 HE1 TYR 87 HE1 TYR 87 8.770 -4.744 -0.502 699 HE2 TYR 87 HE2 TYR 87 7.444 -8.683 -1.506 700 HH TYR 87 HH TYR 87 8.756 -7.144 -2.906 701 H THR 88 H THR 88 3.087 -4.317 3.394 702 HA THR 88 HA THR 88 1.326 -6.137 4.731 703 HB THR 88 HB THR 88 1.465 -3.109 5.148 704 HG1 THR 88 HG1 THR 88 3.440 -4.882 5.451 705 HG21 THR 88 3HG2 THR 88 0.856 -3.656 7.490 706 HG22 THR 88 1HG2 THR 88 0.776 -5.369 7.074 707 HG23 THR 88 2HG2 THR 88 -0.382 -4.235 6.371 708 H ARG 89 H ARG 89 0.920 -3.565 2.340 709 HA ARG 89 HA ARG 89 -1.983 -3.654 2.347 710 HB2 ARG 89 2HB ARG 89 -0.020 -2.183 0.551 711 HB3 ARG 89 3HB ARG 89 -1.765 -2.074 0.372 712 HG2 ARG 89 2HG ARG 89 -0.195 -1.193 2.819 713 HG3 ARG 89 3HG ARG 89 -0.806 -0.127 1.555 714 HD2 ARG 89 2HD ARG 89 -2.326 0.039 3.390 715 HD3 ARG 89 3HD ARG 89 -3.143 -0.914 2.155 716 HE ARG 89 HE ARG 89 -2.880 -2.854 3.489 717 HH11 ARG 89 1HH1 ARG 89 -1.800 0.042 5.190 718 HH12 ARG 89 2HH1 ARG 89 -1.848 -0.725 6.748 719 HH21 ARG 89 1HH2 ARG 89 -2.854 -3.850 5.520 720 HH22 ARG 89 2HH2 ARG 89 -2.444 -2.924 6.928 721 H LYS 90 H LYS 90 0.645 -4.993 0.413 722 HA LYS 90 HA LYS 90 -0.810 -5.662 -1.915 723 HB2 LYS 90 2HB LYS 90 1.674 -5.527 -1.861 724 HB3 LYS 90 3HB LYS 90 1.740 -6.932 -0.810 725 HG2 LYS 90 2HG LYS 90 2.308 -7.533 -3.117 726 HG3 LYS 90 3HG LYS 90 0.822 -8.343 -2.608 727 HD2 LYS 90 2HD LYS 90 -0.516 -6.643 -3.830 728 HD3 LYS 90 3HD LYS 90 0.972 -5.847 -4.353 729 HE2 LYS 90 2HE LYS 90 1.615 -7.808 -5.642 730 HE3 LYS 90 3HE LYS 90 0.235 -8.716 -5.017 731 HZ1 LYS 90 3HZ LYS 90 -1.250 -7.275 -6.166 732 HZ2 LYS 90 1HZ LYS 90 -0.100 -7.834 -7.264 733 HZ3 LYS 90 2HZ LYS 90 0.007 -6.257 -6.657 734 H ALA 91 H ALA 91 0.218 -7.624 0.868 735 HA ALA 91 HA ALA 91 -0.966 -10.053 0.013 736 HB1 ALA 91 3HB ALA 91 0.947 -9.927 1.538 737 HB2 ALA 91 1HB ALA 91 -0.377 -10.841 2.255 738 HB3 ALA 91 2HB ALA 91 -0.069 -9.181 2.772 739 H ALA 92 H ALA 92 -2.099 -7.401 2.063 740 HA ALA 92 HA ALA 92 -4.499 -8.546 3.027 741 HB1 ALA 92 3HB ALA 92 -3.860 -5.627 2.457 742 HB2 ALA 92 1HB ALA 92 -3.526 -6.488 3.962 743 HB3 ALA 92 2HB ALA 92 -5.194 -6.216 3.457 744 H ALA 93 H ALA 93 -3.708 -6.793 0.055 745 HA ALA 93 HA ALA 93 -6.361 -6.697 -1.011 746 HB1 ALA 93 3HB ALA 93 -4.624 -5.102 -1.706 747 HB2 ALA 93 1HB ALA 93 -5.261 -5.981 -3.095 748 HB3 ALA 93 2HB ALA 93 -3.685 -6.412 -2.424 749 H LEU 94 H LEU 94 -3.574 -8.876 -1.453 750 HA LEU 94 HA LEU 94 -4.609 -10.544 -3.474 751 HB2 LEU 94 2HB LEU 94 -2.545 -11.111 -1.310 752 HB3 LEU 94 3HB LEU 94 -2.908 -12.240 -2.607 753 HG LEU 94 HG LEU 94 -1.793 -9.433 -3.017 754 HD11 LEU 94 1HD1 LEU 94 -0.341 -12.088 -3.195 755 HD12 LEU 94 2HD1 LEU 94 -0.138 -10.870 -1.933 756 HD13 LEU 94 3HD1 LEU 94 0.326 -10.500 -3.592 757 HD21 LEU 94 3HD2 LEU 94 -1.416 -10.134 -5.347 758 HD22 LEU 94 1HD2 LEU 94 -3.128 -10.158 -4.931 759 HD23 LEU 94 2HD2 LEU 94 -2.224 -11.672 -5.025 760 H GLU 95 H GLU 95 -4.838 -10.711 0.066 761 HA GLU 95 HA GLU 95 -6.291 -13.074 0.402 762 HB2 GLU 95 2HB GLU 95 -5.358 -11.743 2.264 763 HB3 GLU 95 3HB GLU 95 -6.510 -10.452 1.936 764 HG2 GLU 95 2HG GLU 95 -8.374 -12.041 2.491 765 HG3 GLU 95 3HG GLU 95 -7.167 -13.249 2.933 766 H ALA 96 H ALA 96 -7.367 -9.821 -0.573 767 HA ALA 96 HA ALA 96 -10.209 -10.485 -0.523 768 HB1 ALA 96 3HB ALA 96 -8.762 -8.004 -1.545 769 HB2 ALA 96 1HB ALA 96 -9.470 -8.207 0.059 770 HB3 ALA 96 2HB ALA 96 -10.511 -8.170 -1.365 771 H MET 97 H MET 97 -7.712 -11.270 -2.589 772 HA MET 97 HA MET 97 -9.455 -11.405 -5.000 773 HB2 MET 97 2HB MET 97 -6.408 -11.283 -4.828 774 HB3 MET 97 3HB MET 97 -7.335 -11.456 -6.317 775 HG2 MET 97 2HG MET 97 -7.321 -9.086 -4.451 776 HG3 MET 97 3HG MET 97 -6.671 -9.166 -6.095 777 HE1 MET 97 3HE MET 97 -8.784 -6.997 -4.885 778 HE2 MET 97 1HE MET 97 -9.847 -6.803 -6.275 779 HE3 MET 97 2HE MET 97 -8.101 -6.890 -6.509 780 H LYS 98 H LYS 98 -8.887 -13.275 -2.569 781 HA LYS 98 HA LYS 98 -8.933 -15.482 -2.117 782 HB2 LYS 98 2HB LYS 98 -9.293 -15.839 -5.120 783 HB3 LYS 98 3HB LYS 98 -9.466 -17.142 -3.950 784 HG2 LYS 98 2HG LYS 98 -11.201 -14.647 -4.064 785 HG3 LYS 98 3HG LYS 98 -11.643 -16.225 -4.719 786 HD2 LYS 98 2HD LYS 98 -11.130 -15.583 -1.788 787 HD3 LYS 98 3HD LYS 98 -12.706 -15.825 -2.539 788 HE2 LYS 98 2HE LYS 98 -10.525 -17.919 -2.242 789 HE3 LYS 98 3HE LYS 98 -12.017 -17.828 -1.311 790 HZ1 LYS 98 3HZ LYS 98 -12.122 -19.473 -3.091 791 HZ2 LYS 98 1HZ LYS 98 -11.865 -18.267 -4.245 792 HZ3 LYS 98 2HZ LYS 98 -13.274 -18.257 -3.314 793 H ASP 99 H ASP 99 -6.357 -14.074 -3.350 794 HA ASP 99 HA ASP 99 -4.755 -16.406 -4.102 795 HB2 ASP 99 2HB ASP 99 -4.089 -13.430 -4.011 796 HB3 ASP 99 3HB ASP 99 -2.950 -14.677 -4.514 797 H TYR 100 H TYR 100 -5.609 -16.665 -1.536 798 HA TYR 100 HA TYR 100 -4.179 -15.703 0.598 799 HB2 TYR 100 2HB TYR 100 -5.105 -18.592 0.281 800 HB3 TYR 100 3HB TYR 100 -4.856 -17.724 1.799 801 HD1 TYR 100 HD1 TYR 100 -6.168 -15.188 1.500 802 HD2 TYR 100 HD2 TYR 100 -7.426 -18.985 -0.014 803 HE1 TYR 100 HE1 TYR 100 -8.481 -14.406 1.416 804 HE2 TYR 100 HE2 TYR 100 -9.744 -18.191 -0.075 805 HH TYR 100 HH TYR 100 -11.139 -16.459 0.996 806 H THR 101 H THR 101 -3.234 -18.355 -1.585 807 HA THR 101 HA THR 101 -0.913 -19.242 -0.326 808 HB THR 101 HB THR 101 -0.144 -19.926 -2.646 809 HG1 THR 101 HG1 THR 101 -2.447 -19.372 -3.940 810 HG21 THR 101 3HG2 THR 101 -3.040 -20.612 -2.016 811 HG22 THR 101 1HG2 THR 101 -1.626 -21.437 -1.355 812 HG23 THR 101 2HG2 THR 101 -1.973 -21.523 -3.085 813 H LYS 102 H LYS 102 -1.411 -16.544 -2.607 814 HA LYS 102 HA LYS 102 1.412 -15.903 -2.810 815 HB2 LYS 102 2HB LYS 102 -1.038 -14.422 -3.859 816 HB3 LYS 102 3HB LYS 102 0.625 -13.990 -4.233 817 HG2 LYS 102 2HG LYS 102 -0.837 -16.516 -5.063 818 HG3 LYS 102 3HG LYS 102 -0.344 -15.182 -6.101 819 HD2 LYS 102 2HD LYS 102 1.424 -16.568 -6.586 820 HD3 LYS 102 3HD LYS 102 2.109 -15.891 -5.111 821 HE2 LYS 102 2HE LYS 102 1.011 -17.894 -3.897 822 HE3 LYS 102 3HE LYS 102 0.748 -18.574 -5.502 823 HZ1 LYS 102 3HZ LYS 102 3.154 -18.432 -5.873 824 HZ2 LYS 102 1HZ LYS 102 2.760 -19.430 -4.564 825 HZ3 LYS 102 2HZ LYS 102 3.360 -17.875 -4.286 826 H ALA 103 H ALA 103 -1.347 -14.851 -0.988 827 HA ALA 103 HA ALA 103 -0.395 -12.361 -0.056 828 HB1 ALA 103 3HB ALA 103 -2.173 -12.535 1.626 829 HB2 ALA 103 1HB ALA 103 -2.411 -14.242 1.222 830 HB3 ALA 103 2HB ALA 103 -2.779 -12.990 0.033 831 H MET 104 H MET 104 -0.448 -15.627 1.375 832 HA MET 104 HA MET 104 0.862 -15.102 3.778 833 HB2 MET 104 2HB MET 104 0.749 -17.651 2.132 834 HB3 MET 104 3HB MET 104 1.426 -17.582 3.752 835 HG2 MET 104 2HG MET 104 -0.761 -16.833 4.614 836 HG3 MET 104 3HG MET 104 -1.436 -17.005 2.989 837 HE1 MET 104 3HE MET 104 -1.093 -20.849 2.376 838 HE2 MET 104 1HE MET 104 -0.013 -19.560 1.846 839 HE3 MET 104 2HE MET 104 -1.764 -19.340 1.759 840 H ASP 105 H ASP 105 2.226 -15.730 0.571 841 HA ASP 105 HA ASP 105 4.956 -15.970 1.291 842 HB2 ASP 105 2HB ASP 105 3.772 -14.821 -1.281 843 HB3 ASP 105 3HB ASP 105 5.466 -15.250 -1.059 844 H VAL 106 H VAL 106 2.868 -13.182 0.650 845 HA VAL 106 HA VAL 106 5.063 -11.281 0.518 846 HB VAL 106 HB VAL 106 2.035 -10.985 0.273 847 HG11 VAL 106 1HG1 VAL 106 2.985 -8.860 1.131 848 HG12 VAL 106 2HG1 VAL 106 2.368 -8.695 -0.511 849 HG13 VAL 106 3HG1 VAL 106 4.104 -8.823 -0.233 850 HG21 VAL 106 3HG2 VAL 106 3.148 -12.205 -1.571 851 HG22 VAL 106 1HG2 VAL 106 4.233 -10.836 -1.827 852 HG23 VAL 106 2HG2 VAL 106 2.501 -10.661 -2.128 853 H TYR 107 H TYR 107 2.633 -12.259 2.916 854 HA TYR 107 HA TYR 107 3.152 -10.263 4.875 855 HB2 TYR 107 2HB TYR 107 2.297 -13.162 5.270 856 HB3 TYR 107 3HB TYR 107 2.348 -11.964 6.553 857 HD1 TYR 107 HD1 TYR 107 0.917 -9.691 5.913 858 HD2 TYR 107 HD2 TYR 107 0.193 -13.605 4.398 859 HE1 TYR 107 HE1 TYR 107 -1.442 -9.103 5.507 860 HE2 TYR 107 HE2 TYR 107 -2.122 -13.026 3.977 861 HH TYR 107 HH TYR 107 -3.813 -11.468 4.675 862 H GLN 108 H GLN 108 4.532 -13.477 4.222 863 HA GLN 108 HA GLN 108 6.438 -13.625 6.284 864 HB2 GLN 108 2HB GLN 108 5.611 -15.502 4.760 865 HB3 GLN 108 3HB GLN 108 6.667 -14.876 3.511 866 HG2 GLN 108 2HG GLN 108 7.793 -15.716 6.179 867 HG3 GLN 108 3HG GLN 108 7.418 -16.918 4.957 868 HE21 GLN 108 1HE2 GLN 108 9.519 -14.306 5.844 869 HE22 GLN 108 2HE2 GLN 108 10.732 -14.597 4.650 870 H LYS 109 H LYS 109 6.646 -12.318 2.974 871 HA LYS 109 HA LYS 109 9.344 -11.528 3.003 872 HB2 LYS 109 2HB LYS 109 6.975 -10.400 1.460 873 HB3 LYS 109 3HB LYS 109 8.639 -9.891 1.181 874 HG2 LYS 109 2HG LYS 109 7.566 -12.708 0.825 875 HG3 LYS 109 3HG LYS 109 7.893 -11.560 -0.471 876 HD2 LYS 109 2HD LYS 109 9.992 -12.706 1.425 877 HD3 LYS 109 3HD LYS 109 9.685 -13.271 -0.215 878 HE2 LYS 109 2HE LYS 109 10.313 -11.028 -1.091 879 HE3 LYS 109 3HE LYS 109 10.659 -10.496 0.556 880 HZ1 LYS 109 3HZ LYS 109 12.376 -12.194 0.692 881 HZ2 LYS 109 1HZ LYS 109 12.667 -11.139 -0.593 882 HZ3 LYS 109 2HZ LYS 109 12.053 -12.685 -0.892 883 H ALA 110 H ALA 110 6.389 -9.748 4.009 884 HA ALA 110 HA ALA 110 7.635 -7.325 4.767 885 HB1 ALA 110 3HB ALA 110 5.151 -8.599 5.969 886 HB2 ALA 110 1HB ALA 110 5.188 -7.582 4.528 887 HB3 ALA 110 2HB ALA 110 5.614 -6.899 6.099 888 H LEU 111 H LEU 111 7.160 -10.364 6.535 889 HA LEU 111 HA LEU 111 8.241 -9.525 9.053 890 HB2 LEU 111 2HB LEU 111 7.979 -12.327 7.890 891 HB3 LEU 111 3HB LEU 111 8.299 -11.957 9.577 892 HG LEU 111 HG LEU 111 5.732 -11.221 8.116 893 HD11 LEU 111 1HD1 LEU 111 5.955 -13.655 8.297 894 HD12 LEU 111 2HD1 LEU 111 4.660 -13.050 9.329 895 HD13 LEU 111 3HD1 LEU 111 6.208 -13.515 10.041 896 HD21 LEU 111 3HD2 LEU 111 6.203 -9.706 9.973 897 HD22 LEU 111 1HD2 LEU 111 6.428 -11.074 11.067 898 HD23 LEU 111 2HD2 LEU 111 4.841 -10.752 10.362 899 H ASP 112 H ASP 112 9.619 -10.773 6.072 900 HA ASP 112 HA ASP 112 12.138 -11.659 7.161 901 HB2 ASP 112 2HB ASP 112 11.042 -12.608 5.064 902 HB3 ASP 112 3HB ASP 112 11.436 -11.106 4.236 903 H LEU 113 H LEU 113 10.894 -8.814 5.506 904 HA LEU 113 HA LEU 113 13.301 -7.336 5.280 905 HB2 LEU 113 2HB LEU 113 10.407 -6.392 5.465 906 HB3 LEU 113 3HB LEU 113 11.760 -5.360 5.030 907 HG LEU 113 HG LEU 113 10.751 -7.733 3.416 908 HD11 LEU 113 1HD1 LEU 113 10.042 -6.082 1.753 909 HD12 LEU 113 2HD1 LEU 113 10.539 -4.772 2.828 910 HD13 LEU 113 3HD1 LEU 113 9.218 -5.847 3.295 911 HD21 LEU 113 3HD2 LEU 113 12.349 -7.002 1.672 912 HD22 LEU 113 1HD2 LEU 113 13.147 -7.552 3.144 913 HD23 LEU 113 2HD2 LEU 113 13.025 -5.823 2.801 914 H ASP 114 H ASP 114 10.720 -7.413 7.754 915 HA ASP 114 HA ASP 114 12.611 -6.861 9.867 916 HB2 ASP 114 2HB ASP 114 12.221 -4.544 9.309 917 HB3 ASP 114 3HB ASP 114 10.483 -4.797 9.172 918 H SER 115 H SER 115 12.077 -8.144 11.461 919 HA SER 115 HA SER 115 9.888 -9.819 11.646 920 HB2 SER 115 2HB SER 115 10.651 -10.219 14.010 921 HB3 SER 115 3HB SER 115 11.968 -10.285 12.838 922 HG SER 115 HG SER 115 11.576 -8.586 14.942 923 H SER 116 H SER 116 10.390 -6.649 13.190 924 HA SER 116 HA SER 116 8.167 -6.691 14.940 925 HB2 SER 116 2HB SER 116 10.098 -5.215 15.303 926 HB3 SER 116 3HB SER 116 9.736 -4.324 13.828 927 HG SER 116 HG SER 116 7.673 -4.482 15.676 928 H CYS 117 H CYS 117 8.156 -6.421 11.546 929 HA CYS 117 HA CYS 117 5.601 -5.093 11.300 930 HB2 CYS 117 2HB CYS 117 7.259 -5.216 9.429 931 HB3 CYS 117 3HB CYS 117 6.973 -6.950 9.311 932 HG CYS 117 HG CYS 117 4.504 -6.825 8.262 933 H LYS 118 H LYS 118 6.101 -7.713 13.056 934 HA LYS 118 HA LYS 118 4.640 -9.874 12.508 935 HB2 LYS 118 2HB LYS 118 4.428 -8.253 15.060 936 HB3 LYS 118 3HB LYS 118 3.845 -9.903 14.916 937 HG2 LYS 118 2HG LYS 118 6.731 -9.001 14.657 938 HG3 LYS 118 3HG LYS 118 6.008 -9.792 16.056 939 HD2 LYS 118 2HD LYS 118 6.432 -11.012 13.301 940 HD3 LYS 118 3HD LYS 118 7.323 -11.396 14.773 941 HE2 LYS 118 2HE LYS 118 4.400 -11.988 14.207 942 HE3 LYS 118 3HE LYS 118 5.709 -13.157 14.354 943 HZ1 LYS 118 3HZ LYS 118 4.329 -13.051 16.335 944 HZ2 LYS 118 1HZ LYS 118 4.713 -11.423 16.554 945 HZ3 LYS 118 2HZ LYS 118 5.917 -12.601 16.681 946 H GLU 119 H GLU 119 3.014 -6.736 12.606 947 HA GLU 119 HA GLU 119 0.348 -7.505 12.977 948 HB2 GLU 119 2HB GLU 119 -0.263 -5.469 11.743 949 HB3 GLU 119 3HB GLU 119 1.069 -5.149 12.853 950 HG2 GLU 119 2HG GLU 119 2.666 -5.354 10.924 951 HG3 GLU 119 3HG GLU 119 1.281 -5.525 9.845 952 H ALA 120 H ALA 120 2.408 -7.740 10.150 953 HA ALA 120 HA ALA 120 0.524 -8.743 8.276 954 HB1 ALA 120 3HB ALA 120 2.514 -9.311 6.936 955 HB2 ALA 120 1HB ALA 120 3.554 -9.019 8.336 956 HB3 ALA 120 2HB ALA 120 2.657 -7.686 7.607 957 H ALA 121 H ALA 121 2.432 -10.240 10.856 958 HA ALA 121 HA ALA 121 2.222 -12.954 9.911 959 HB1 ALA 121 3HB ALA 121 3.991 -12.303 11.479 960 HB2 ALA 121 1HB ALA 121 3.001 -13.593 12.157 961 HB3 ALA 121 2HB ALA 121 2.789 -11.931 12.715 962 H ASP 122 H ASP 122 0.288 -10.844 11.963 963 HA ASP 122 HA ASP 122 -1.596 -12.780 12.877 964 HB2 ASP 122 2HB ASP 122 -1.209 -10.509 13.923 965 HB3 ASP 122 3HB ASP 122 -1.992 -9.770 12.533 966 H GLY 123 H GLY 123 -1.455 -10.583 10.085 967 HA2 GLY 123 2HA GLY 123 -3.938 -11.298 8.878 968 HA3 GLY 123 3HA GLY 123 -2.589 -10.498 8.092 969 H TYR 124 H TYR 124 -0.717 -12.664 8.750 970 HA TYR 124 HA TYR 124 -0.918 -14.388 6.546 971 HB2 TYR 124 2HB TYR 124 1.249 -14.026 7.454 972 HB3 TYR 124 3HB TYR 124 0.729 -14.372 9.088 973 HD1 TYR 124 HD1 TYR 124 0.437 -16.447 5.959 974 HD2 TYR 124 HD2 TYR 124 2.119 -16.108 9.866 975 HE1 TYR 124 HE1 TYR 124 1.345 -18.713 5.759 976 HE2 TYR 124 HE2 TYR 124 3.032 -18.379 9.665 977 HH TYR 124 HH TYR 124 2.665 -20.426 8.428 978 H GLN 125 H GLN 125 -1.457 -15.131 10.019 979 HA GLN 125 HA GLN 125 -2.515 -17.684 9.797 980 HB2 GLN 125 2HB GLN 125 -2.746 -15.482 11.819 981 HB3 GLN 125 3HB GLN 125 -3.911 -16.790 11.958 982 HG2 GLN 125 2HG GLN 125 -1.895 -17.058 13.400 983 HG3 GLN 125 3HG GLN 125 -2.185 -18.410 12.309 984 HE21 GLN 125 1HE2 GLN 125 -0.172 -15.617 12.919 985 HE22 GLN 125 2HE2 GLN 125 1.162 -16.114 11.942 986 H ARG 126 H ARG 126 -4.113 -14.608 9.217 987 HA ARG 126 HA ARG 126 -6.778 -15.641 9.118 988 HB2 ARG 126 2HB ARG 126 -6.257 -13.275 9.676 989 HB3 ARG 126 3HB ARG 126 -5.673 -13.021 8.037 990 HG2 ARG 126 2HG ARG 126 -7.913 -12.105 8.262 991 HG3 ARG 126 3HG ARG 126 -7.944 -13.483 7.162 992 HD2 ARG 126 2HD ARG 126 -8.717 -14.896 9.153 993 HD3 ARG 126 3HD ARG 126 -8.925 -13.375 10.033 994 HE ARG 126 HE ARG 126 -10.417 -12.767 8.017 995 HH11 ARG 126 1HH1 ARG 126 -10.204 -16.013 9.385 996 HH12 ARG 126 2HH1 ARG 126 -11.810 -16.451 8.885 997 HH21 ARG 126 1HH2 ARG 126 -12.483 -13.374 7.333 998 HH22 ARG 126 2HH2 ARG 126 -13.102 -14.954 7.719 999 H CYS 127 H CYS 127 -4.183 -15.316 6.710 1000 HA CYS 127 HA CYS 127 -6.002 -15.715 4.452 1001 HB2 CYS 127 2HB CYS 127 -2.988 -15.437 4.613 1002 HB3 CYS 127 3HB CYS 127 -3.839 -15.804 3.108 1003 HG CYS 127 HG CYS 127 -4.737 -13.084 4.925 1004 H MET 128 H MET 128 -3.445 -17.621 6.119 1005 HA MET 128 HA MET 128 -3.668 -19.927 4.533 1006 HB2 MET 128 2HB MET 128 -2.641 -21.176 6.416 1007 HB3 MET 128 3HB MET 128 -1.779 -19.704 6.018 1008 HG2 MET 128 2HG MET 128 -2.603 -18.590 7.966 1009 HG3 MET 128 3HG MET 128 -3.718 -19.908 8.322 1010 HE1 MET 128 3HE MET 128 -1.844 -22.472 7.693 1011 HE2 MET 128 1HE MET 128 -2.976 -22.306 9.039 1012 HE3 MET 128 2HE MET 128 -1.303 -22.789 9.343 1013 H MET 129 H MET 129 -5.435 -19.016 7.530 1014 HA MET 129 HA MET 129 -6.932 -21.407 7.766 1015 HB2 MET 129 2HB MET 129 -8.234 -20.321 9.431 1016 HB3 MET 129 3HB MET 129 -6.640 -19.600 9.567 1017 HG2 MET 129 2HG MET 129 -7.448 -17.619 8.314 1018 HG3 MET 129 3HG MET 129 -9.053 -18.340 8.229 1019 HE1 MET 129 3HE MET 129 -10.050 -18.400 12.048 1020 HE2 MET 129 1HE MET 129 -9.108 -19.681 11.282 1021 HE3 MET 129 2HE MET 129 -10.466 -18.952 10.423 1022 H ALA 130 H ALA 130 -7.392 -18.518 5.828 1023 HA ALA 130 HA ALA 130 -10.175 -18.669 5.372 1024 HB1 ALA 130 3HB ALA 130 -9.756 -17.041 3.571 1025 HB2 ALA 130 1HB ALA 130 -8.019 -17.367 3.682 1026 HB3 ALA 130 2HB ALA 130 -8.871 -16.625 5.041 1027 H GLN 131 H GLN 131 -7.406 -19.908 3.490 1028 HA GLN 131 HA GLN 131 -9.062 -21.204 1.515 1029 HB2 GLN 131 2HB GLN 131 -6.882 -22.390 0.865 1030 HB3 GLN 131 3HB GLN 131 -6.921 -20.648 0.683 1031 HG2 GLN 131 2HG GLN 131 -5.639 -20.397 2.769 1032 HG3 GLN 131 3HG GLN 131 -5.594 -22.149 2.949 1033 HE21 GLN 131 1HE2 GLN 131 -3.347 -22.281 2.822 1034 HE22 GLN 131 2HE2 GLN 131 -2.469 -21.979 1.369 1035 H TYR 132 H TYR 132 -7.799 -22.083 4.658 1036 HA TYR 132 HA TYR 132 -8.551 -24.924 4.305 1037 HB2 TYR 132 2HB TYR 132 -7.203 -23.586 6.701 1038 HB3 TYR 132 3HB TYR 132 -7.387 -25.313 6.436 1039 HD1 TYR 132 HD1 TYR 132 -6.578 -24.902 3.304 1040 HD2 TYR 132 HD2 TYR 132 -4.770 -23.938 7.061 1041 HE1 TYR 132 HE1 TYR 132 -4.376 -24.927 2.247 1042 HE2 TYR 132 HE2 TYR 132 -2.557 -23.982 6.004 1043 HH TYR 132 HH TYR 132 -1.472 -24.984 4.021 1044 H ASN 133 H ASN 133 -10.614 -22.917 4.333 1045 HA ASN 133 HA ASN 133 -12.144 -23.660 6.764 1046 HB2 ASN 133 2HB ASN 133 -12.040 -21.114 5.171 1047 HB3 ASN 133 3HB ASN 133 -13.638 -21.625 5.669 1048 HD21 ASN 133 1HD2 ASN 133 -10.723 -22.144 7.603 1049 HD22 ASN 133 2HD2 ASN 133 -11.164 -21.041 8.852 Start of MODEL 19 1 H1 MET 1 1H MET 1 12.336 7.914 14.365 2 H2 MET 1 2H MET 1 10.743 7.618 13.897 3 H3 MET 1 3H MET 1 11.175 9.136 14.495 4 HA MET 1 HA MET 1 12.204 7.931 11.999 5 HB2 MET 1 2HB MET 1 10.034 10.016 12.472 6 HB3 MET 1 3HB MET 1 10.793 9.786 10.901 7 HG2 MET 1 2HG MET 1 8.637 8.631 11.025 8 HG3 MET 1 3HG MET 1 9.959 7.482 10.808 9 HE1 MET 1 3HE MET 1 8.471 5.395 11.550 10 HE2 MET 1 1HE MET 1 7.077 6.471 11.691 11 HE3 MET 1 2HE MET 1 7.483 5.380 13.013 12 H GLY 2 H GLY 2 13.531 9.295 14.381 13 HA2 GLY 2 2HA GLY 2 15.497 10.447 14.572 14 HA3 GLY 2 3HA GLY 2 15.498 10.675 12.831 15 H HIS 3 H HIS 3 12.877 11.739 14.919 16 HA HIS 3 HA HIS 3 11.857 13.736 15.224 17 HB2 HIS 3 2HB HIS 3 13.763 14.009 16.787 18 HB3 HIS 3 3HB HIS 3 14.726 14.727 15.505 19 HD1 HIS 3 HD1 HIS 3 11.914 15.475 17.869 20 HD2 HIS 3 HD2 HIS 3 14.195 17.449 15.014 21 HE1 HIS 3 HE1 HIS 3 11.453 17.915 18.203 22 HE2 HIS 3 HE2 HIS 3 13.027 19.077 16.629 23 H HIS 4 H HIS 4 11.147 13.536 12.999 24 HA HIS 4 HA HIS 4 12.491 14.880 10.846 25 HB2 HIS 4 2HB HIS 4 11.002 12.871 10.542 26 HB3 HIS 4 3HB HIS 4 9.611 13.865 10.963 27 HD1 HIS 4 HD1 HIS 4 12.074 13.221 8.211 28 HD2 HIS 4 HD2 HIS 4 8.728 15.596 8.893 29 HE1 HIS 4 HE1 HIS 4 11.456 14.184 5.975 30 HE2 HIS 4 HE2 HIS 4 9.284 15.382 6.388 31 H HIS 5 H HIS 5 9.720 15.602 12.947 32 HA HIS 5 HA HIS 5 9.302 18.248 11.804 33 HB2 HIS 5 2HB HIS 5 7.345 17.010 12.601 34 HB3 HIS 5 3HB HIS 5 8.038 16.886 14.214 35 HD1 HIS 5 HD1 HIS 5 7.854 18.930 15.751 36 HD2 HIS 5 HD2 HIS 5 6.295 19.587 11.954 37 HE1 HIS 5 HE1 HIS 5 6.634 21.123 15.891 38 HE2 HIS 5 HE2 HIS 5 5.841 21.569 13.545 39 H HIS 6 H HIS 6 11.206 19.329 12.159 40 HA HIS 6 HA HIS 6 12.172 19.923 14.853 41 HB2 HIS 6 2HB HIS 6 13.730 19.786 12.885 42 HB3 HIS 6 3HB HIS 6 12.922 21.163 12.151 43 HD1 HIS 6 HD1 HIS 6 15.430 20.230 14.738 44 HD2 HIS 6 HD2 HIS 6 13.566 23.677 13.351 45 HE1 HIS 6 HE1 HIS 6 16.773 22.140 15.647 46 HE2 HIS 6 HE2 HIS 6 15.680 24.212 14.718 47 H HIS 7 H HIS 7 12.029 22.100 15.790 48 HA HIS 7 HA HIS 7 9.552 23.410 15.538 49 HB2 HIS 7 2HB HIS 7 10.751 23.646 17.619 50 HB3 HIS 7 3HB HIS 7 12.156 24.331 16.810 51 HD1 HIS 7 HD1 HIS 7 12.300 26.806 16.841 52 HD2 HIS 7 HD2 HIS 7 8.393 25.507 17.421 53 HE1 HIS 7 HE1 HIS 7 10.941 28.888 17.212 54 HE2 HIS 7 HE2 HIS 7 8.602 28.064 17.675 55 H HIS 8 H HIS 8 9.106 24.022 13.488 56 HA HIS 8 HA HIS 8 8.843 25.346 11.715 57 HB2 HIS 8 2HB HIS 8 8.391 26.901 13.688 58 HB3 HIS 8 3HB HIS 8 10.008 27.556 13.449 59 HD1 HIS 8 HD1 HIS 8 6.698 27.215 11.655 60 HD2 HIS 8 HD2 HIS 8 10.148 29.530 11.503 61 HE1 HIS 8 HE1 HIS 8 6.230 29.020 9.977 62 HE2 HIS 8 HE2 HIS 8 8.258 30.502 10.034 63 H SER 9 H SER 9 10.802 23.897 11.061 64 HA SER 9 HA SER 9 13.294 25.210 10.534 65 HB2 SER 9 2HB SER 9 13.121 22.732 10.803 66 HB3 SER 9 3HB SER 9 12.166 22.640 9.324 67 HG SER 9 HG SER 9 14.882 23.364 9.626 68 H HIS 10 H HIS 10 12.819 27.111 9.443 69 HA HIS 10 HA HIS 10 11.364 27.052 6.895 70 HB2 HIS 10 2HB HIS 10 10.959 28.850 8.652 71 HB3 HIS 10 3HB HIS 10 12.577 29.459 8.329 72 HD1 HIS 10 HD1 HIS 10 12.928 30.765 6.114 73 HD2 HIS 10 HD2 HIS 10 9.038 29.427 6.657 74 HE1 HIS 10 HE1 HIS 10 11.559 31.941 4.374 75 HE2 HIS 10 HE2 HIS 10 9.274 30.919 4.572 76 H MET 11 H MET 11 13.775 25.646 7.012 77 HA MET 11 HA MET 11 15.574 27.043 5.158 78 HB2 MET 11 2HB MET 11 15.710 24.165 6.191 79 HB3 MET 11 3HB MET 11 16.966 25.011 5.294 80 HG2 MET 11 2HG MET 11 17.218 26.588 7.193 81 HG3 MET 11 3HG MET 11 16.025 25.661 8.101 82 HE1 MET 11 3HE MET 11 17.971 22.210 8.507 83 HE2 MET 11 1HE MET 11 16.893 22.620 7.174 84 HE3 MET 11 2HE MET 11 16.459 23.057 8.828 85 H ASN 12 H ASN 12 13.042 24.659 5.364 86 HA ASN 12 HA ASN 12 12.110 23.124 4.029 87 HB2 ASN 12 2HB ASN 12 12.340 25.488 2.169 88 HB3 ASN 12 3HB ASN 12 11.475 24.022 1.723 89 HD21 ASN 12 1HD2 ASN 12 11.508 26.782 3.902 90 HD22 ASN 12 2HD2 ASN 12 9.850 26.662 4.370 91 HA PRO 13 HA PRO 13 16.140 21.526 2.357 92 HB2 PRO 13 2HB PRO 13 15.663 18.903 3.148 93 HB3 PRO 13 3HB PRO 13 16.389 20.128 4.210 94 HG2 PRO 13 2HG PRO 13 13.526 19.210 4.078 95 HG3 PRO 13 3HG PRO 13 14.544 19.510 5.507 96 HD2 PRO 13 2HD PRO 13 12.730 21.339 4.673 97 HD3 PRO 13 3HD PRO 13 14.293 21.841 5.362 98 H ASP 14 H ASP 14 12.786 20.665 1.897 99 HA ASP 14 HA ASP 14 13.012 20.182 -0.881 100 HB2 ASP 14 2HB ASP 14 13.966 18.020 -0.247 101 HB3 ASP 14 3HB ASP 14 12.687 17.744 0.933 102 H LEU 15 H LEU 15 11.245 21.416 -1.298 103 HA LEU 15 HA LEU 15 8.985 21.695 0.356 104 HB2 LEU 15 2HB LEU 15 9.279 22.320 -2.605 105 HB3 LEU 15 3HB LEU 15 7.901 22.794 -1.628 106 HG LEU 15 HG LEU 15 9.736 23.993 -0.132 107 HD11 LEU 15 1HD1 LEU 15 11.208 23.903 -2.765 108 HD12 LEU 15 2HD1 LEU 15 11.710 23.147 -1.251 109 HD13 LEU 15 3HD1 LEU 15 11.629 24.902 -1.370 110 HD21 LEU 15 3HD2 LEU 15 9.436 26.085 -1.380 111 HD22 LEU 15 1HD2 LEU 15 7.926 25.180 -1.305 112 HD23 LEU 15 2HD2 LEU 15 8.878 25.182 -2.792 113 H ALA 16 H ALA 16 9.751 19.324 -2.064 114 HA ALA 16 HA ALA 16 7.203 18.301 -2.662 115 HB1 ALA 16 3HB ALA 16 8.399 16.274 -3.393 116 HB2 ALA 16 1HB ALA 16 9.866 16.847 -2.596 117 HB3 ALA 16 2HB ALA 16 9.201 17.738 -3.964 118 H LEU 17 H LEU 17 9.294 17.825 0.182 119 HA LEU 17 HA LEU 17 7.835 15.534 1.136 120 HB2 LEU 17 2HB LEU 17 9.278 15.422 2.945 121 HB3 LEU 17 3HB LEU 17 10.275 16.147 1.706 122 HG LEU 17 HG LEU 17 9.521 18.435 2.922 123 HD11 LEU 17 1HD1 LEU 17 8.009 17.362 4.535 124 HD12 LEU 17 2HD1 LEU 17 9.323 18.221 5.338 125 HD13 LEU 17 3HD1 LEU 17 9.367 16.458 5.211 126 HD21 LEU 17 3HD2 LEU 17 11.692 16.625 4.028 127 HD22 LEU 17 1HD2 LEU 17 11.588 18.376 4.245 128 HD23 LEU 17 2HD2 LEU 17 11.847 17.703 2.637 129 H MET 18 H MET 18 7.169 18.863 1.066 130 HA MET 18 HA MET 18 5.626 18.979 3.532 131 HB2 MET 18 2HB MET 18 5.759 20.993 1.250 132 HB3 MET 18 3HB MET 18 5.185 21.293 2.890 133 HG2 MET 18 2HG MET 18 8.042 20.600 2.126 134 HG3 MET 18 3HG MET 18 7.450 22.217 2.503 135 HE1 MET 18 3HE MET 18 9.733 21.257 5.597 136 HE2 MET 18 1HE MET 18 9.484 22.420 4.295 137 HE3 MET 18 2HE MET 18 9.993 20.770 3.924 138 H VAL 19 H VAL 19 5.021 18.677 0.045 139 HA VAL 19 HA VAL 19 2.184 19.066 0.179 140 HB VAL 19 HB VAL 19 3.493 19.634 -1.840 141 HG11 VAL 19 1HG1 VAL 19 3.847 16.639 -2.194 142 HG12 VAL 19 2HG1 VAL 19 5.115 17.829 -1.888 143 HG13 VAL 19 3HG1 VAL 19 4.233 17.853 -3.413 144 HG21 VAL 19 3HG2 VAL 19 1.063 19.254 -2.078 145 HG22 VAL 19 1HG2 VAL 19 1.356 17.549 -2.433 146 HG23 VAL 19 2HG2 VAL 19 1.928 18.796 -3.544 147 H LYS 20 H LYS 20 4.227 16.215 0.480 148 HA LYS 20 HA LYS 20 2.161 14.274 0.047 149 HB2 LYS 20 2HB LYS 20 3.692 12.621 0.951 150 HB3 LYS 20 3HB LYS 20 4.598 13.718 -0.082 151 HG2 LYS 20 2HG LYS 20 5.471 14.892 1.895 152 HG3 LYS 20 3HG LYS 20 4.548 13.836 2.955 153 HD2 LYS 20 2HD LYS 20 6.869 13.119 2.905 154 HD3 LYS 20 3HD LYS 20 5.866 11.885 2.137 155 HE2 LYS 20 2HE LYS 20 6.614 12.551 -0.060 156 HE3 LYS 20 3HE LYS 20 7.374 14.009 0.583 157 HZ1 LYS 20 3HZ LYS 20 8.953 12.617 1.759 158 HZ2 LYS 20 1HZ LYS 20 9.003 12.327 0.092 159 HZ3 LYS 20 2HZ LYS 20 8.237 11.228 1.121 160 H ASN 21 H ASN 21 3.213 16.181 2.803 161 HA ASN 21 HA ASN 21 2.087 14.662 4.924 162 HB2 ASN 21 2HB ASN 21 2.799 17.628 4.818 163 HB3 ASN 21 3HB ASN 21 2.435 16.737 6.296 164 HD21 ASN 21 1HD2 ASN 21 4.881 18.167 5.511 165 HD22 ASN 21 2HD2 ASN 21 6.149 17.004 5.596 166 H LYS 22 H LYS 22 0.926 17.526 3.165 167 HA LYS 22 HA LYS 22 -1.611 17.665 4.483 168 HB2 LYS 22 2HB LYS 22 -2.184 19.284 2.620 169 HB3 LYS 22 3HB LYS 22 -0.728 19.689 3.527 170 HG2 LYS 22 2HG LYS 22 0.665 18.717 1.725 171 HG3 LYS 22 3HG LYS 22 -0.792 18.349 0.801 172 HD2 LYS 22 2HD LYS 22 0.108 21.123 1.622 173 HD3 LYS 22 3HD LYS 22 0.382 20.400 0.041 174 HE2 LYS 22 2HE LYS 22 -2.343 21.001 1.259 175 HE3 LYS 22 3HE LYS 22 -1.548 21.943 -0.004 176 HZ1 LYS 22 3HZ LYS 22 -3.208 20.399 -0.886 177 HZ2 LYS 22 1HZ LYS 22 -2.345 19.090 -0.259 178 HZ3 LYS 22 2HZ LYS 22 -1.662 20.049 -1.473 179 H GLY 23 H GLY 23 -0.424 16.114 1.553 180 HA2 GLY 23 2HA GLY 23 -2.750 15.240 0.327 181 HA3 GLY 23 3HA GLY 23 -1.234 14.357 0.321 182 H ASN 24 H ASN 24 -0.841 13.265 2.643 183 HA ASN 24 HA ASN 24 -2.773 11.251 2.970 184 HB2 ASN 24 2HB ASN 24 -1.410 10.388 4.806 185 HB3 ASN 24 3HB ASN 24 -0.377 10.877 3.473 186 HD21 ASN 24 1HD2 ASN 24 -1.464 11.741 6.720 187 HD22 ASN 24 2HD2 ASN 24 -0.125 12.766 7.086 188 H GLU 25 H GLU 25 -2.363 14.323 4.647 189 HA GLU 25 HA GLU 25 -4.130 13.715 6.805 190 HB2 GLU 25 2HB GLU 25 -3.428 15.688 7.652 191 HB3 GLU 25 3HB GLU 25 -2.402 15.852 6.239 192 HG2 GLU 25 2HG GLU 25 -4.172 17.180 5.116 193 HG3 GLU 25 3HG GLU 25 -5.203 17.005 6.541 194 H CYS 26 H CYS 26 -4.611 15.099 3.560 195 HA CYS 26 HA CYS 26 -7.320 15.878 3.812 196 HB2 CYS 26 2HB CYS 26 -5.763 14.996 1.358 197 HB3 CYS 26 3HB CYS 26 -7.372 15.725 1.307 198 HG CYS 26 HG CYS 26 -5.138 17.513 3.035 199 H PHE 27 H PHE 27 -5.836 12.870 2.668 200 HA PHE 27 HA PHE 27 -8.003 11.219 2.170 201 HB2 PHE 27 2HB PHE 27 -5.552 10.732 1.811 202 HB3 PHE 27 3HB PHE 27 -5.365 10.497 3.541 203 HD1 PHE 27 HD2 PHE 27 -7.058 9.118 0.499 204 HD2 PHE 27 HD1 PHE 27 -5.778 8.365 4.494 205 HE1 PHE 27 HE2 PHE 27 -7.517 6.728 0.201 206 HE2 PHE 27 HE1 PHE 27 -6.231 5.968 4.191 207 HZ PHE 27 HZ PHE 27 -7.101 5.143 2.039 208 H GLN 28 H GLN 28 -6.320 11.824 5.230 209 HA GLN 28 HA GLN 28 -7.879 10.282 6.982 210 HB2 GLN 28 2HB GLN 28 -5.629 11.047 7.566 211 HB3 GLN 28 3HB GLN 28 -6.134 12.726 7.478 212 HG2 GLN 28 2HG GLN 28 -5.883 12.017 9.801 213 HG3 GLN 28 3HG GLN 28 -7.562 12.434 9.452 214 HE21 GLN 28 1HE2 GLN 28 -5.998 9.346 8.584 215 HE22 GLN 28 2HE2 GLN 28 -6.949 8.379 9.648 216 H LYS 29 H LYS 29 -8.477 13.512 5.598 217 HA LYS 29 HA LYS 29 -10.367 14.331 7.639 218 HB2 LYS 29 2HB LYS 29 -10.255 15.468 4.821 219 HB3 LYS 29 3HB LYS 29 -10.917 16.232 6.262 220 HG2 LYS 29 2HG LYS 29 -8.003 15.721 5.637 221 HG3 LYS 29 3HG LYS 29 -8.826 17.273 5.613 222 HD2 LYS 29 2HD LYS 29 -8.431 15.580 8.116 223 HD3 LYS 29 3HD LYS 29 -7.359 16.890 7.620 224 HE2 LYS 29 2HE LYS 29 -9.314 18.445 7.727 225 HE3 LYS 29 3HE LYS 29 -10.275 17.120 8.394 226 HZ1 LYS 29 3HZ LYS 29 -9.423 18.526 10.138 227 HZ2 LYS 29 1HZ LYS 29 -7.834 18.298 9.600 228 HZ3 LYS 29 2HZ LYS 29 -8.708 16.998 10.241 229 H GLY 30 H GLY 30 -10.493 12.136 5.024 230 HA2 GLY 30 2HA GLY 30 -12.475 10.759 4.729 231 HA3 GLY 30 3HA GLY 30 -13.481 12.182 4.965 232 H ASP 31 H ASP 31 -10.964 13.275 3.200 233 HA ASP 31 HA ASP 31 -12.362 13.120 0.647 234 HB2 ASP 31 2HB ASP 31 -9.696 14.455 1.322 235 HB3 ASP 31 3HB ASP 31 -10.630 14.686 -0.147 236 H TYR 32 H TYR 32 -12.034 10.657 0.789 237 HA TYR 32 HA TYR 32 -9.459 9.549 0.359 238 HB2 TYR 32 2HB TYR 32 -12.229 8.402 -0.055 239 HB3 TYR 32 3HB TYR 32 -10.779 7.480 -0.429 240 HD1 TYR 32 HD1 TYR 32 -12.106 9.549 2.441 241 HD2 TYR 32 HD2 TYR 32 -10.075 5.994 1.254 242 HE1 TYR 32 HE1 TYR 32 -11.981 8.837 4.777 243 HE2 TYR 32 HE2 TYR 32 -9.956 5.282 3.602 244 HH TYR 32 HH TYR 32 -11.771 6.686 6.048 245 HA PRO 33 HA PRO 33 -10.573 9.388 -4.430 246 HB2 PRO 33 2HB PRO 33 -12.465 11.207 -5.352 247 HB3 PRO 33 3HB PRO 33 -12.845 9.526 -4.930 248 HG2 PRO 33 2HG PRO 33 -13.195 12.009 -3.274 249 HG3 PRO 33 3HG PRO 33 -14.322 10.652 -3.518 250 HD2 PRO 33 2HD PRO 33 -12.830 10.814 -1.283 251 HD3 PRO 33 3HD PRO 33 -13.159 9.242 -2.044 252 H GLN 34 H GLN 34 -11.193 12.618 -3.009 253 HA GLN 34 HA GLN 34 -9.683 14.186 -4.778 254 HB2 GLN 34 2HB GLN 34 -10.424 14.629 -1.868 255 HB3 GLN 34 3HB GLN 34 -9.632 15.864 -2.840 256 HG2 GLN 34 2HG GLN 34 -12.298 14.619 -3.577 257 HG3 GLN 34 3HG GLN 34 -12.146 16.080 -2.600 258 HE21 GLN 34 1HE2 GLN 34 -11.692 14.723 -5.807 259 HE22 GLN 34 2HE2 GLN 34 -11.568 16.231 -6.635 260 H ALA 35 H ALA 35 -8.693 12.328 -1.933 261 HA ALA 35 HA ALA 35 -6.141 13.385 -1.486 262 HB1 ALA 35 3HB ALA 35 -7.184 11.818 0.100 263 HB2 ALA 35 1HB ALA 35 -5.581 11.249 -0.374 264 HB3 ALA 35 2HB ALA 35 -7.028 10.510 -1.067 265 H MET 36 H MET 36 -7.271 11.022 -3.913 266 HA MET 36 HA MET 36 -4.735 9.995 -4.694 267 HB2 MET 36 2HB MET 36 -7.229 10.364 -6.409 268 HB3 MET 36 3HB MET 36 -5.841 9.374 -6.846 269 HG2 MET 36 2HG MET 36 -6.314 7.894 -4.939 270 HG3 MET 36 3HG MET 36 -7.722 8.882 -4.531 271 HE1 MET 36 3HE MET 36 -9.943 8.341 -7.783 272 HE2 MET 36 1HE MET 36 -8.734 9.607 -7.577 273 HE3 MET 36 2HE MET 36 -9.823 9.201 -6.251 274 H LYS 37 H LYS 37 -6.658 12.721 -5.746 275 HA LYS 37 HA LYS 37 -4.954 13.581 -7.877 276 HB2 LYS 37 2HB LYS 37 -7.231 15.026 -6.450 277 HB3 LYS 37 3HB LYS 37 -6.539 15.473 -8.015 278 HG2 LYS 37 2HG LYS 37 -7.280 13.329 -8.973 279 HG3 LYS 37 3HG LYS 37 -7.930 12.845 -7.403 280 HD2 LYS 37 2HD LYS 37 -9.594 14.666 -7.522 281 HD3 LYS 37 3HD LYS 37 -8.919 15.202 -9.066 282 HE2 LYS 37 2HE LYS 37 -9.565 13.056 -10.099 283 HE3 LYS 37 3HE LYS 37 -10.198 12.487 -8.554 284 HZ1 LYS 37 3HZ LYS 37 -11.233 14.835 -10.051 285 HZ2 LYS 37 1HZ LYS 37 -11.877 14.187 -8.627 286 HZ3 LYS 37 2HZ LYS 37 -11.928 13.294 -10.065 287 H HIS 38 H HIS 38 -5.305 14.354 -4.459 288 HA HIS 38 HA HIS 38 -3.418 16.504 -4.356 289 HB2 HIS 38 2HB HIS 38 -4.341 14.571 -2.187 290 HB3 HIS 38 3HB HIS 38 -3.266 15.933 -1.878 291 HD1 HIS 38 HD1 HIS 38 -4.671 18.166 -3.428 292 HD2 HIS 38 HD2 HIS 38 -6.687 15.406 -1.063 293 HE1 HIS 38 HE1 HIS 38 -6.847 19.250 -2.825 294 HE2 HIS 38 HE2 HIS 38 -8.039 17.579 -1.368 295 H TYR 39 H TYR 39 -3.102 12.989 -4.302 296 HA TYR 39 HA TYR 39 -0.282 12.964 -3.690 297 HB2 TYR 39 2HB TYR 39 -2.047 10.739 -4.794 298 HB3 TYR 39 3HB TYR 39 -0.375 10.530 -4.273 299 HD1 TYR 39 HD2 TYR 39 -0.390 12.165 -1.755 300 HD2 TYR 39 HD1 TYR 39 -3.247 9.360 -3.254 301 HE1 TYR 39 HE2 TYR 39 -1.158 11.734 0.524 302 HE2 TYR 39 HE1 TYR 39 -4.008 8.943 -0.955 303 HH TYR 39 HH TYR 39 -3.425 10.876 1.558 304 H THR 40 H THR 40 -2.264 13.102 -6.621 305 HA THR 40 HA THR 40 -0.365 12.310 -8.547 306 HB THR 40 HB THR 40 -2.509 14.441 -8.959 307 HG1 THR 40 HG1 THR 40 -3.936 12.790 -9.277 308 HG21 THR 40 3HG2 THR 40 -2.543 13.620 -11.296 309 HG22 THR 40 1HG2 THR 40 -1.263 12.463 -10.919 310 HG23 THR 40 2HG2 THR 40 -0.931 14.195 -10.870 311 H GLU 41 H GLU 41 -1.133 15.496 -7.153 312 HA GLU 41 HA GLU 41 0.757 17.110 -8.397 313 HB2 GLU 41 2HB GLU 41 -1.071 18.048 -7.141 314 HB3 GLU 41 3HB GLU 41 -0.635 17.155 -5.692 315 HG2 GLU 41 2HG GLU 41 -0.083 19.419 -5.339 316 HG3 GLU 41 3HG GLU 41 1.423 18.535 -5.516 317 H ALA 42 H ALA 42 0.908 15.205 -5.389 318 HA ALA 42 HA ALA 42 3.563 15.916 -4.693 319 HB1 ALA 42 3HB ALA 42 1.929 15.166 -3.033 320 HB2 ALA 42 1HB ALA 42 3.367 14.139 -3.001 321 HB3 ALA 42 2HB ALA 42 1.886 13.565 -3.772 322 H ILE 43 H ILE 43 2.305 13.484 -6.885 323 HA ILE 43 HA ILE 43 4.655 11.833 -7.033 324 HB ILE 43 HB ILE 43 2.211 12.118 -8.837 325 HG12 ILE 43 2HG1 ILE 43 3.127 9.752 -7.133 326 HG13 ILE 43 3HG1 ILE 43 1.984 10.969 -6.587 327 HG21 ILE 43 1HG2 ILE 43 4.044 11.514 -10.344 328 HG22 ILE 43 2HG2 ILE 43 2.962 10.138 -10.137 329 HG23 ILE 43 3HG2 ILE 43 4.509 10.178 -9.287 330 HD11 ILE 43 3HD1 ILE 43 0.445 10.291 -8.410 331 HD12 ILE 43 1HD1 ILE 43 0.804 8.997 -7.264 332 HD13 ILE 43 2HD1 ILE 43 1.582 9.011 -8.846 333 H LYS 44 H LYS 44 3.435 14.687 -8.728 334 HA LYS 44 HA LYS 44 5.460 14.930 -10.719 335 HB2 LYS 44 2HB LYS 44 3.983 17.256 -9.402 336 HB3 LYS 44 3HB LYS 44 4.702 17.223 -11.011 337 HG2 LYS 44 2HG LYS 44 2.242 15.717 -10.085 338 HG3 LYS 44 3HG LYS 44 2.276 17.129 -11.143 339 HD2 LYS 44 2HD LYS 44 3.471 15.800 -12.863 340 HD3 LYS 44 3HD LYS 44 3.439 14.391 -11.797 341 HE2 LYS 44 2HE LYS 44 1.658 14.284 -13.512 342 HE3 LYS 44 3HE LYS 44 0.988 14.349 -11.881 343 HZ1 LYS 44 3HZ LYS 44 0.487 16.659 -12.171 344 HZ2 LYS 44 1HZ LYS 44 -0.159 15.805 -13.480 345 HZ3 LYS 44 2HZ LYS 44 1.261 16.703 -13.673 346 H ARG 45 H ARG 45 5.336 15.626 -7.330 347 HA ARG 45 HA ARG 45 7.682 17.372 -7.287 348 HB2 ARG 45 2HB ARG 45 5.925 16.332 -5.021 349 HB3 ARG 45 3HB ARG 45 7.145 17.594 -4.882 350 HG2 ARG 45 2HG ARG 45 4.625 17.780 -6.558 351 HG3 ARG 45 3HG ARG 45 4.842 18.488 -4.960 352 HD2 ARG 45 2HD ARG 45 6.538 19.994 -5.792 353 HD3 ARG 45 3HD ARG 45 6.549 19.190 -7.368 354 HE ARG 45 HE ARG 45 3.969 19.985 -7.038 355 HH11 ARG 45 1HH1 ARG 45 7.018 21.727 -6.989 356 HH12 ARG 45 2HH1 ARG 45 6.310 23.197 -7.577 357 HH21 ARG 45 1HH2 ARG 45 3.071 21.884 -7.836 358 HH22 ARG 45 2HH2 ARG 45 4.069 23.290 -8.059 359 H ASN 46 H ASN 46 6.764 14.070 -6.371 360 HA ASN 46 HA ASN 46 9.518 13.319 -5.891 361 HB2 ASN 46 2HB ASN 46 9.023 12.390 -3.581 362 HB3 ASN 46 3HB ASN 46 9.165 14.129 -3.707 363 HD21 ASN 46 1HD2 ASN 46 6.302 11.963 -4.178 364 HD22 ASN 46 2HD2 ASN 46 5.351 12.757 -2.998 365 HA PRO 47 HA PRO 47 7.029 9.880 -7.805 366 HB2 PRO 47 2HB PRO 47 8.732 9.317 -9.855 367 HB3 PRO 47 3HB PRO 47 7.604 10.688 -9.932 368 HG2 PRO 47 2HG PRO 47 10.527 10.716 -9.171 369 HG3 PRO 47 3HG PRO 47 9.661 11.757 -10.324 370 HD2 PRO 47 2HD PRO 47 10.159 12.583 -7.791 371 HD3 PRO 47 3HD PRO 47 8.669 13.048 -8.644 372 H LYS 48 H LYS 48 10.132 10.139 -6.357 373 HA LYS 48 HA LYS 48 10.960 7.382 -6.565 374 HB2 LYS 48 2HB LYS 48 11.948 9.497 -4.598 375 HB3 LYS 48 3HB LYS 48 12.722 7.960 -4.939 376 HG2 LYS 48 2HG LYS 48 14.051 9.471 -6.115 377 HG3 LYS 48 3HG LYS 48 12.973 8.863 -7.376 378 HD2 LYS 48 2HD LYS 48 11.652 10.868 -7.340 379 HD3 LYS 48 3HD LYS 48 12.396 11.423 -5.843 380 HE2 LYS 48 2HE LYS 48 13.257 12.717 -7.708 381 HE3 LYS 48 3HE LYS 48 14.548 11.717 -7.044 382 HZ1 LYS 48 3HZ LYS 48 12.964 11.066 -9.471 383 HZ2 LYS 48 1HZ LYS 48 14.257 10.169 -8.854 384 HZ3 LYS 48 2HZ LYS 48 14.520 11.722 -9.467 385 H ASP 49 H ASP 49 8.875 9.205 -4.534 386 HA ASP 49 HA ASP 49 9.136 7.626 -2.141 387 HB2 ASP 49 2HB ASP 49 7.485 10.028 -2.940 388 HB3 ASP 49 3HB ASP 49 7.118 9.162 -1.455 389 H ALA 50 H ALA 50 8.464 5.656 -2.294 390 HA ALA 50 HA ALA 50 6.395 4.494 -3.708 391 HB1 ALA 50 3HB ALA 50 6.786 2.547 -2.241 392 HB2 ALA 50 1HB ALA 50 7.701 3.566 -1.130 393 HB3 ALA 50 2HB ALA 50 8.307 3.275 -2.762 394 H LYS 51 H LYS 51 6.294 5.979 -0.465 395 HA LYS 51 HA LYS 51 3.877 4.817 0.408 396 HB2 LYS 51 2HB LYS 51 3.759 6.477 2.174 397 HB3 LYS 51 3HB LYS 51 5.397 5.878 2.024 398 HG2 LYS 51 2HG LYS 51 4.502 8.530 0.849 399 HG3 LYS 51 3HG LYS 51 5.111 8.370 2.497 400 HD2 LYS 51 2HD LYS 51 6.649 7.686 -0.040 401 HD3 LYS 51 3HD LYS 51 6.865 9.141 0.933 402 HE2 LYS 51 2HE LYS 51 7.644 7.788 2.824 403 HE3 LYS 51 3HE LYS 51 7.362 6.304 1.913 404 HZ1 LYS 51 3HZ LYS 51 9.679 6.924 1.886 405 HZ2 LYS 51 1HZ LYS 51 9.313 8.435 1.215 406 HZ3 LYS 51 2HZ LYS 51 9.043 7.026 0.323 407 H LEU 52 H LEU 52 4.438 7.524 -1.726 408 HA LEU 52 HA LEU 52 1.837 8.674 -1.592 409 HB2 LEU 52 2HB LEU 52 4.108 8.806 -3.581 410 HB3 LEU 52 3HB LEU 52 2.549 9.456 -4.038 411 HG LEU 52 HG LEU 52 3.996 11.253 -3.242 412 HD11 LEU 52 1HD1 LEU 52 1.781 10.699 -1.252 413 HD12 LEU 52 2HD1 LEU 52 1.617 11.492 -2.820 414 HD13 LEU 52 3HD1 LEU 52 2.558 12.259 -1.546 415 HD21 LEU 52 3HD2 LEU 52 4.153 9.826 -0.569 416 HD22 LEU 52 1HD2 LEU 52 4.839 11.404 -0.969 417 HD23 LEU 52 2HD2 LEU 52 5.459 9.952 -1.745 418 H TYR 53 H TYR 53 3.287 6.152 -3.621 419 HA TYR 53 HA TYR 53 0.953 5.667 -5.244 420 HB2 TYR 53 2HB TYR 53 3.465 3.985 -4.852 421 HB3 TYR 53 3HB TYR 53 2.274 3.760 -6.135 422 HD1 TYR 53 HD1 TYR 53 2.048 5.499 -7.941 423 HD2 TYR 53 HD2 TYR 53 5.171 5.715 -5.026 424 HE1 TYR 53 HE1 TYR 53 3.262 7.097 -9.355 425 HE2 TYR 53 HE2 TYR 53 6.381 7.312 -6.442 426 HH TYR 53 HH TYR 53 6.488 7.869 -8.888 427 H SER 54 H SER 54 2.267 4.340 -2.273 428 HA SER 54 HA SER 54 0.578 2.023 -2.142 429 HB2 SER 54 2HB SER 54 2.765 2.102 -0.991 430 HB3 SER 54 3HB SER 54 2.196 3.424 0.025 431 HG SER 54 HG SER 54 0.961 0.869 -0.060 432 H ASN 55 H ASN 55 0.339 5.381 -1.111 433 HA ASN 55 HA ASN 55 -2.104 5.045 0.411 434 HB2 ASN 55 2HB ASN 55 -0.594 7.487 -0.585 435 HB3 ASN 55 3HB ASN 55 -2.173 7.632 0.176 436 HD21 ASN 55 1HD2 ASN 55 -1.358 8.842 1.868 437 HD22 ASN 55 2HD2 ASN 55 -0.364 8.166 3.109 438 H ARG 56 H ARG 56 -1.234 5.855 -2.925 439 HA ARG 56 HA ARG 56 -3.792 6.456 -3.963 440 HB2 ARG 56 2HB ARG 56 -1.388 5.096 -5.249 441 HB3 ARG 56 3HB ARG 56 -2.833 5.517 -6.155 442 HG2 ARG 56 2HG ARG 56 -1.195 7.588 -4.667 443 HG3 ARG 56 3HG ARG 56 -0.839 7.103 -6.327 444 HD2 ARG 56 2HD ARG 56 -3.472 8.280 -5.370 445 HD3 ARG 56 3HD ARG 56 -2.194 9.170 -6.206 446 HE ARG 56 HE ARG 56 -3.385 6.818 -7.526 447 HH11 ARG 56 1HH1 ARG 56 -2.937 10.295 -7.466 448 HH12 ARG 56 2HH1 ARG 56 -3.547 10.522 -9.065 449 HH21 ARG 56 1HH2 ARG 56 -4.188 7.138 -9.628 450 HH22 ARG 56 2HH2 ARG 56 -4.253 8.741 -10.287 451 H ALA 57 H ALA 57 -2.034 3.376 -3.684 452 HA ALA 57 HA ALA 57 -4.012 1.604 -4.602 453 HB1 ALA 57 3HB ALA 57 -1.626 1.009 -4.365 454 HB2 ALA 57 1HB ALA 57 -2.662 -0.147 -3.523 455 HB3 ALA 57 2HB ALA 57 -1.777 1.081 -2.611 456 H ALA 58 H ALA 58 -3.238 2.761 -1.337 457 HA ALA 58 HA ALA 58 -5.177 1.210 0.070 458 HB1 ALA 58 3HB ALA 58 -3.160 2.106 1.169 459 HB2 ALA 58 1HB ALA 58 -4.628 2.640 1.995 460 HB3 ALA 58 2HB ALA 58 -3.754 3.750 0.935 461 H CYS 59 H CYS 59 -5.376 4.135 -1.760 462 HA CYS 59 HA CYS 59 -7.942 4.968 -0.724 463 HB2 CYS 59 2HB CYS 59 -6.427 6.629 -1.718 464 HB3 CYS 59 3HB CYS 59 -6.481 5.782 -3.264 465 HG CYS 59 HG CYS 59 -9.061 7.393 -1.734 466 H TYR 60 H TYR 60 -6.731 3.278 -3.633 467 HA TYR 60 HA TYR 60 -9.192 3.051 -4.981 468 HB2 TYR 60 2HB TYR 60 -6.613 1.465 -5.249 469 HB3 TYR 60 3HB TYR 60 -8.010 1.165 -6.281 470 HD1 TYR 60 HD1 TYR 60 -9.063 3.728 -6.988 471 HD2 TYR 60 HD2 TYR 60 -4.967 2.605 -6.504 472 HE1 TYR 60 HE1 TYR 60 -8.385 5.539 -8.496 473 HE2 TYR 60 HE2 TYR 60 -4.297 4.420 -8.004 474 HH TYR 60 HH TYR 60 -6.308 6.939 -8.854 475 H THR 61 H THR 61 -7.723 0.938 -2.541 476 HA THR 61 HA THR 61 -9.546 -1.197 -2.625 477 HB THR 61 HB THR 61 -9.048 -1.437 -0.143 478 HG1 THR 61 HG1 THR 61 -7.857 0.073 0.870 479 HG21 THR 61 3HG2 THR 61 -6.604 -1.009 -1.905 480 HG22 THR 61 1HG2 THR 61 -7.558 -2.494 -1.807 481 HG23 THR 61 2HG2 THR 61 -6.646 -1.936 -0.403 482 H LYS 62 H LYS 62 -9.740 1.984 -1.060 483 HA LYS 62 HA LYS 62 -12.195 1.470 0.370 484 HB2 LYS 62 2HB LYS 62 -10.751 4.100 -0.171 485 HB3 LYS 62 3HB LYS 62 -11.991 3.835 1.054 486 HG2 LYS 62 2HG LYS 62 -9.244 2.543 1.000 487 HG3 LYS 62 3HG LYS 62 -9.709 3.912 2.008 488 HD2 LYS 62 2HD LYS 62 -10.941 1.132 2.180 489 HD3 LYS 62 3HD LYS 62 -9.633 1.713 3.209 490 HE2 LYS 62 2HE LYS 62 -11.617 1.950 4.488 491 HE3 LYS 62 3HE LYS 62 -11.214 3.578 3.951 492 HZ1 LYS 62 3HZ LYS 62 -13.582 3.045 3.770 493 HZ2 LYS 62 1HZ LYS 62 -13.232 1.814 2.669 494 HZ3 LYS 62 2HZ LYS 62 -12.912 3.427 2.271 495 H LEU 63 H LEU 63 -11.333 2.624 -2.764 496 HA LEU 63 HA LEU 63 -14.018 3.672 -3.377 497 HB2 LEU 63 2HB LEU 63 -11.497 3.622 -5.088 498 HB3 LEU 63 3HB LEU 63 -12.990 4.471 -5.466 499 HG LEU 63 HG LEU 63 -11.067 5.138 -3.199 500 HD11 LEU 63 1HD1 LEU 63 -10.631 7.201 -4.448 501 HD12 LEU 63 2HD1 LEU 63 -11.671 6.634 -5.759 502 HD13 LEU 63 3HD1 LEU 63 -10.184 5.765 -5.366 503 HD21 LEU 63 3HD2 LEU 63 -13.655 6.530 -3.963 504 HD22 LEU 63 1HD2 LEU 63 -12.475 7.123 -2.789 505 HD23 LEU 63 2HD2 LEU 63 -13.344 5.624 -2.479 506 H LEU 64 H LEU 64 -12.853 0.681 -3.120 507 HA LEU 64 HA LEU 64 -13.453 -1.341 -3.859 508 HB2 LEU 64 2HB LEU 64 -15.594 0.180 -5.378 509 HB3 LEU 64 3HB LEU 64 -15.463 -1.562 -5.464 510 HG LEU 64 HG LEU 64 -17.207 -1.059 -3.903 511 HD11 LEU 64 1HD1 LEU 64 -14.772 -1.877 -2.308 512 HD12 LEU 64 2HD1 LEU 64 -15.813 -2.938 -3.261 513 HD13 LEU 64 3HD1 LEU 64 -16.460 -2.117 -1.844 514 HD21 LEU 64 3HD2 LEU 64 -16.962 0.341 -1.911 515 HD22 LEU 64 1HD2 LEU 64 -16.652 1.267 -3.379 516 HD23 LEU 64 2HD2 LEU 64 -15.303 0.737 -2.372 517 H GLU 65 H GLU 65 -11.788 0.687 -5.663 518 HA GLU 65 HA GLU 65 -11.557 -0.875 -8.126 519 HB2 GLU 65 2HB GLU 65 -10.189 1.688 -7.198 520 HB3 GLU 65 3HB GLU 65 -9.917 0.934 -8.770 521 HG2 GLU 65 2HG GLU 65 -12.564 2.031 -7.762 522 HG3 GLU 65 3HG GLU 65 -11.476 2.841 -8.891 523 H PHE 66 H PHE 66 -10.949 -2.492 -6.097 524 HA PHE 66 HA PHE 66 -8.353 -2.548 -5.042 525 HB2 PHE 66 2HB PHE 66 -10.288 -4.812 -5.640 526 HB3 PHE 66 3HB PHE 66 -8.756 -5.072 -4.821 527 HD1 PHE 66 HD2 PHE 66 -12.010 -3.263 -4.528 528 HD2 PHE 66 HD1 PHE 66 -8.580 -4.780 -2.477 529 HE1 PHE 66 HE2 PHE 66 -13.091 -2.806 -2.368 530 HE2 PHE 66 HE1 PHE 66 -9.676 -4.331 -0.327 531 HZ PHE 66 HZ PHE 66 -11.924 -3.344 -0.269 532 H GLN 67 H GLN 67 -9.502 -3.435 -8.231 533 HA GLN 67 HA GLN 67 -7.350 -4.962 -9.209 534 HB2 GLN 67 2HB GLN 67 -9.060 -2.946 -10.737 535 HB3 GLN 67 3HB GLN 67 -8.089 -4.224 -11.460 536 HG2 GLN 67 2HG GLN 67 -10.512 -4.632 -9.677 537 HG3 GLN 67 3HG GLN 67 -10.485 -4.757 -11.437 538 HE21 GLN 67 1HE2 GLN 67 -9.535 -6.272 -8.440 539 HE22 GLN 67 2HE2 GLN 67 -9.109 -7.808 -9.108 540 H LEU 68 H LEU 68 -7.887 -1.437 -9.044 541 HA LEU 68 HA LEU 68 -5.381 -0.765 -10.320 542 HB2 LEU 68 2HB LEU 68 -7.301 1.034 -8.798 543 HB3 LEU 68 3HB LEU 68 -5.956 1.575 -9.796 544 HG LEU 68 HG LEU 68 -8.560 0.305 -10.695 545 HD11 LEU 68 1HD1 LEU 68 -8.770 2.344 -12.056 546 HD12 LEU 68 2HD1 LEU 68 -7.263 2.958 -11.366 547 HD13 LEU 68 3HD1 LEU 68 -8.668 2.690 -10.330 548 HD21 LEU 68 3HD2 LEU 68 -6.817 -0.823 -11.980 549 HD22 LEU 68 1HD2 LEU 68 -6.094 0.732 -12.423 550 HD23 LEU 68 2HD2 LEU 68 -7.702 0.299 -13.012 551 H ALA 69 H ALA 69 -6.533 -1.215 -7.061 552 HA ALA 69 HA ALA 69 -4.346 -0.154 -5.619 553 HB1 ALA 69 3HB ALA 69 -6.500 -0.755 -4.566 554 HB2 ALA 69 1HB ALA 69 -5.140 -1.540 -3.758 555 HB3 ALA 69 2HB ALA 69 -6.167 -2.463 -4.860 556 H LEU 70 H LEU 70 -4.916 -3.356 -7.122 557 HA LEU 70 HA LEU 70 -2.467 -4.583 -6.403 558 HB2 LEU 70 2HB LEU 70 -4.024 -4.956 -8.995 559 HB3 LEU 70 3HB LEU 70 -2.776 -6.035 -8.391 560 HG LEU 70 HG LEU 70 -5.506 -5.572 -7.131 561 HD11 LEU 70 1HD1 LEU 70 -5.654 -6.857 -9.192 562 HD12 LEU 70 2HD1 LEU 70 -6.000 -7.873 -7.795 563 HD13 LEU 70 3HD1 LEU 70 -4.432 -7.990 -8.601 564 HD21 LEU 70 3HD2 LEU 70 -3.850 -6.038 -5.385 565 HD22 LEU 70 1HD2 LEU 70 -3.321 -7.487 -6.246 566 HD23 LEU 70 2HD2 LEU 70 -4.954 -7.395 -5.578 567 H LYS 71 H LYS 71 -3.367 -2.484 -9.151 568 HA LYS 71 HA LYS 71 -1.032 -2.719 -10.704 569 HB2 LYS 71 2HB LYS 71 -2.892 -0.311 -10.590 570 HB3 LYS 71 3HB LYS 71 -1.779 -0.693 -11.898 571 HG2 LYS 71 2HG LYS 71 -4.195 -2.340 -11.107 572 HG3 LYS 71 3HG LYS 71 -4.156 -1.178 -12.425 573 HD2 LYS 71 2HD LYS 71 -2.320 -3.596 -12.338 574 HD3 LYS 71 3HD LYS 71 -3.951 -3.668 -13.006 575 HE2 LYS 71 2HE LYS 71 -2.341 -3.367 -14.806 576 HE3 LYS 71 3HE LYS 71 -3.346 -1.930 -14.663 577 HZ1 LYS 71 3HZ LYS 71 -0.605 -2.179 -13.552 578 HZ2 LYS 71 1HZ LYS 71 -1.553 -0.783 -13.593 579 HZ3 LYS 71 2HZ LYS 71 -0.981 -1.454 -15.031 580 H ASP 72 H ASP 72 -1.933 -0.247 -8.296 581 HA ASP 72 HA ASP 72 0.350 1.400 -8.570 582 HB2 ASP 72 2HB ASP 72 -1.801 1.133 -6.462 583 HB3 ASP 72 3HB ASP 72 -0.407 2.164 -6.149 584 H CYS 73 H CYS 73 -0.313 -1.317 -6.356 585 HA CYS 73 HA CYS 73 2.123 -0.979 -4.870 586 HB2 CYS 73 2HB CYS 73 0.221 -3.337 -5.023 587 HB3 CYS 73 3HB CYS 73 1.569 -3.210 -3.895 588 HG CYS 73 HG CYS 73 -1.454 -1.794 -3.775 589 H GLU 74 H GLU 74 1.217 -2.905 -7.730 590 HA GLU 74 HA GLU 74 3.539 -4.616 -7.615 591 HB2 GLU 74 2HB GLU 74 2.765 -5.631 -9.653 592 HB3 GLU 74 3HB GLU 74 1.359 -5.340 -8.638 593 HG2 GLU 74 2HG GLU 74 0.847 -3.318 -9.982 594 HG3 GLU 74 3HG GLU 74 2.213 -3.681 -11.031 595 H GLU 75 H GLU 75 2.880 -1.492 -9.065 596 HA GLU 75 HA GLU 75 5.394 -1.503 -10.570 597 HB2 GLU 75 2HB GLU 75 4.802 0.749 -11.270 598 HB3 GLU 75 3HB GLU 75 3.397 -0.295 -11.454 599 HG2 GLU 75 2HG GLU 75 2.509 0.616 -9.293 600 HG3 GLU 75 3HG GLU 75 3.869 1.735 -9.251 601 H CYS 76 H CYS 76 4.095 -0.298 -7.512 602 HA CYS 76 HA CYS 76 6.125 1.497 -6.733 603 HB2 CYS 76 2HB CYS 76 3.926 1.449 -5.652 604 HB3 CYS 76 3HB CYS 76 4.220 -0.174 -5.047 605 HG CYS 76 HG CYS 76 6.670 1.280 -3.780 606 H ILE 77 H ILE 77 5.991 -1.994 -6.626 607 HA ILE 77 HA ILE 77 8.047 -2.515 -4.745 608 HB ILE 77 HB ILE 77 6.247 -4.120 -5.679 609 HG12 ILE 77 2HG1 ILE 77 8.299 -4.792 -4.207 610 HG13 ILE 77 3HG1 ILE 77 7.384 -6.056 -5.004 611 HG21 ILE 77 1HG2 ILE 77 6.816 -5.517 -7.627 612 HG22 ILE 77 2HG2 ILE 77 8.255 -4.535 -7.918 613 HG23 ILE 77 3HG2 ILE 77 6.653 -3.815 -8.071 614 HD11 ILE 77 3HD1 ILE 77 9.774 -6.465 -5.049 615 HD12 ILE 77 1HD1 ILE 77 10.038 -4.965 -5.930 616 HD13 ILE 77 2HD1 ILE 77 9.138 -6.286 -6.683 617 H GLN 78 H GLN 78 8.097 -1.554 -8.126 618 HA GLN 78 HA GLN 78 10.831 -2.301 -8.681 619 HB2 GLN 78 2HB GLN 78 8.930 -0.397 -10.113 620 HB3 GLN 78 3HB GLN 78 10.513 -0.865 -10.730 621 HG2 GLN 78 2HG GLN 78 8.233 -2.797 -10.197 622 HG3 GLN 78 3HG GLN 78 8.612 -2.098 -11.771 623 HE21 GLN 78 1HE2 GLN 78 8.597 -4.918 -10.871 624 HE22 GLN 78 2HE2 GLN 78 10.163 -5.538 -11.238 625 H LEU 79 H LEU 79 9.182 0.509 -7.388 626 HA LEU 79 HA LEU 79 11.454 2.307 -7.573 627 HB2 LEU 79 2HB LEU 79 8.848 2.636 -6.034 628 HB3 LEU 79 3HB LEU 79 10.001 3.911 -6.411 629 HG LEU 79 HG LEU 79 8.255 2.407 -8.407 630 HD11 LEU 79 1HD1 LEU 79 8.156 5.297 -7.504 631 HD12 LEU 79 2HD1 LEU 79 6.993 4.029 -7.109 632 HD13 LEU 79 3HD1 LEU 79 7.166 4.572 -8.776 633 HD21 LEU 79 3HD2 LEU 79 9.166 3.912 -10.127 634 HD22 LEU 79 1HD2 LEU 79 10.425 2.900 -9.425 635 HD23 LEU 79 2HD2 LEU 79 10.291 4.596 -8.951 636 H GLU 80 H GLU 80 9.822 0.386 -5.094 637 HA GLU 80 HA GLU 80 12.162 0.419 -3.378 638 HB2 GLU 80 2HB GLU 80 10.904 2.462 -2.693 639 HB3 GLU 80 3HB GLU 80 9.481 1.480 -2.381 640 HG2 GLU 80 2HG GLU 80 10.674 2.100 -0.309 641 HG3 GLU 80 3HG GLU 80 10.584 0.356 -0.535 642 HA PRO 81 HA PRO 81 10.106 -3.708 -3.440 643 HB2 PRO 81 2HB PRO 81 12.368 -5.223 -3.303 644 HB3 PRO 81 3HB PRO 81 11.881 -4.406 -4.805 645 HG2 PRO 81 2HG PRO 81 13.919 -3.536 -2.769 646 HG3 PRO 81 3HG PRO 81 14.036 -3.550 -4.544 647 HD2 PRO 81 2HD PRO 81 13.428 -1.286 -3.121 648 HD3 PRO 81 3HD PRO 81 12.854 -1.567 -4.778 649 H THR 82 H THR 82 12.031 -2.189 -0.989 650 HA THR 82 HA THR 82 11.253 -4.253 0.991 651 HB THR 82 HB THR 82 12.953 -3.151 2.511 652 HG1 THR 82 HG1 THR 82 12.977 -1.216 0.891 653 HG21 THR 82 3HG2 THR 82 13.507 -5.226 1.290 654 HG22 THR 82 1HG2 THR 82 14.923 -4.181 1.434 655 HG23 THR 82 2HG2 THR 82 14.046 -4.272 -0.093 656 H PHE 83 H PHE 83 9.650 -1.900 -0.211 657 HA PHE 83 HA PHE 83 9.000 -0.259 2.058 658 HB2 PHE 83 2HB PHE 83 8.645 0.395 -0.401 659 HB3 PHE 83 3HB PHE 83 7.234 -0.657 -0.396 660 HD1 PHE 83 HD1 PHE 83 8.750 2.247 1.437 661 HD2 PHE 83 HD2 PHE 83 5.154 0.217 0.354 662 HE1 PHE 83 HE1 PHE 83 7.417 4.033 2.478 663 HE2 PHE 83 HE2 PHE 83 3.839 2.001 1.397 664 HZ PHE 83 HZ PHE 83 4.963 3.904 2.460 665 H ILE 84 H ILE 84 8.237 -1.234 3.788 666 HA ILE 84 HA ILE 84 6.984 -3.706 4.029 667 HB ILE 84 HB ILE 84 7.229 -1.316 5.881 668 HG12 ILE 84 2HG1 ILE 84 8.497 -4.094 5.932 669 HG13 ILE 84 3HG1 ILE 84 9.272 -2.618 5.371 670 HG21 ILE 84 1HG2 ILE 84 5.882 -3.926 6.646 671 HG22 ILE 84 2HG2 ILE 84 5.140 -2.323 6.601 672 HG23 ILE 84 3HG2 ILE 84 6.397 -2.678 7.784 673 HD11 ILE 84 3HD1 ILE 84 9.159 -1.716 7.655 674 HD12 ILE 84 1HD1 ILE 84 10.068 -3.224 7.549 675 HD13 ILE 84 2HD1 ILE 84 8.430 -3.230 8.201 676 H LYS 85 H LYS 85 5.485 -0.460 4.122 677 HA LYS 85 HA LYS 85 2.892 -1.371 4.828 678 HB2 LYS 85 2HB LYS 85 3.744 1.273 3.587 679 HB3 LYS 85 3HB LYS 85 2.171 0.960 4.314 680 HG2 LYS 85 2HG LYS 85 4.853 0.964 5.750 681 HG3 LYS 85 3HG LYS 85 3.610 2.214 5.854 682 HD2 LYS 85 2HD LYS 85 3.343 -0.667 6.832 683 HD3 LYS 85 3HD LYS 85 3.589 0.755 7.848 684 HE2 LYS 85 2HE LYS 85 1.409 1.651 7.093 685 HE3 LYS 85 3HE LYS 85 1.155 0.211 6.109 686 HZ1 LYS 85 3HZ LYS 85 1.253 -1.104 8.147 687 HZ2 LYS 85 1HZ LYS 85 -0.001 0.026 8.177 688 HZ3 LYS 85 2HZ LYS 85 1.412 0.307 9.059 689 H GLY 86 H GLY 86 4.466 -0.858 1.738 690 HA2 GLY 86 2HA GLY 86 2.186 -0.956 0.040 691 HA3 GLY 86 3HA GLY 86 3.852 -1.279 -0.423 692 H TYR 87 H TYR 87 4.411 -3.400 1.320 693 HA TYR 87 HA TYR 87 3.348 -5.652 -0.032 694 HB2 TYR 87 2HB TYR 87 5.230 -5.220 2.292 695 HB3 TYR 87 3HB TYR 87 4.596 -6.841 2.022 696 HD1 TYR 87 HD2 TYR 87 5.967 -4.099 -0.217 697 HD2 TYR 87 HD1 TYR 87 6.113 -8.211 0.928 698 HE1 TYR 87 HE2 TYR 87 7.670 -4.518 -1.941 699 HE2 TYR 87 HE1 TYR 87 7.810 -8.636 -0.795 700 HH TYR 87 HH TYR 87 9.443 -6.151 -2.441 701 H THR 88 H THR 88 2.591 -4.178 3.136 702 HA THR 88 HA THR 88 0.976 -6.392 4.028 703 HB THR 88 HB THR 88 0.346 -4.928 5.933 704 HG1 THR 88 HG1 THR 88 1.195 -2.812 6.031 705 HG21 THR 88 3HG2 THR 88 3.317 -4.783 5.290 706 HG22 THR 88 1HG2 THR 88 2.496 -6.156 6.039 707 HG23 THR 88 2HG2 THR 88 2.597 -4.616 6.892 708 H ARG 89 H ARG 89 0.341 -3.335 2.355 709 HA ARG 89 HA ARG 89 -2.547 -3.565 2.485 710 HB2 ARG 89 2HB ARG 89 -0.814 -1.766 0.741 711 HB3 ARG 89 3HB ARG 89 -2.563 -1.645 0.885 712 HG2 ARG 89 2HG ARG 89 -0.500 -1.070 3.038 713 HG3 ARG 89 3HG ARG 89 -1.520 0.097 2.205 714 HD2 ARG 89 2HD ARG 89 -2.507 -0.159 4.334 715 HD3 ARG 89 3HD ARG 89 -3.515 -1.150 3.275 716 HE ARG 89 HE ARG 89 -1.390 -2.636 4.542 717 HH11 ARG 89 1HH1 ARG 89 -4.653 -1.421 5.069 718 HH12 ARG 89 2HH1 ARG 89 -5.023 -2.614 6.272 719 HH21 ARG 89 1HH2 ARG 89 -1.900 -4.192 6.117 720 HH22 ARG 89 2HH2 ARG 89 -3.461 -4.184 6.864 721 H LYS 90 H LYS 90 -0.004 -4.435 0.195 722 HA LYS 90 HA LYS 90 -1.647 -5.072 -2.031 723 HB2 LYS 90 2HB LYS 90 0.778 -4.685 -2.279 724 HB3 LYS 90 3HB LYS 90 1.128 -6.101 -1.298 725 HG2 LYS 90 2HG LYS 90 1.451 -6.525 -3.710 726 HG3 LYS 90 3HG LYS 90 0.219 -7.578 -3.008 727 HD2 LYS 90 2HD LYS 90 -1.565 -6.184 -3.959 728 HD3 LYS 90 3HD LYS 90 -0.373 -5.037 -4.579 729 HE2 LYS 90 2HE LYS 90 -0.656 -7.933 -5.436 730 HE3 LYS 90 3HE LYS 90 -1.207 -6.529 -6.352 731 HZ1 LYS 90 3HZ LYS 90 1.599 -7.241 -5.689 732 HZ2 LYS 90 1HZ LYS 90 1.140 -5.781 -6.409 733 HZ3 LYS 90 2HZ LYS 90 0.876 -7.241 -7.216 734 H ALA 91 H ALA 91 -0.175 -7.089 0.509 735 HA ALA 91 HA ALA 91 -1.243 -9.554 -0.329 736 HB1 ALA 91 3HB ALA 91 0.734 -9.326 1.117 737 HB2 ALA 91 1HB ALA 91 -0.483 -10.379 1.843 738 HB3 ALA 91 2HB ALA 91 -0.285 -8.722 2.422 739 H ALA 92 H ALA 92 -2.490 -7.012 1.778 740 HA ALA 92 HA ALA 92 -4.773 -8.321 2.797 741 HB1 ALA 92 3HB ALA 92 -3.972 -6.164 3.676 742 HB2 ALA 92 1HB ALA 92 -5.663 -6.047 3.180 743 HB3 ALA 92 2HB ALA 92 -4.391 -5.372 2.157 744 H ALA 93 H ALA 93 -4.241 -6.455 -0.195 745 HA ALA 93 HA ALA 93 -6.869 -6.643 -1.242 746 HB1 ALA 93 3HB ALA 93 -5.842 -5.959 -3.382 747 HB2 ALA 93 1HB ALA 93 -4.237 -6.261 -2.712 748 HB3 ALA 93 2HB ALA 93 -5.247 -4.977 -2.040 749 H LEU 94 H LEU 94 -3.953 -8.636 -1.706 750 HA LEU 94 HA LEU 94 -4.850 -10.472 -3.610 751 HB2 LEU 94 2HB LEU 94 -2.859 -10.845 -1.341 752 HB3 LEU 94 3HB LEU 94 -3.099 -12.027 -2.620 753 HG LEU 94 HG LEU 94 -2.078 -9.187 -3.030 754 HD11 LEU 94 1HD1 LEU 94 0.085 -10.205 -3.514 755 HD12 LEU 94 2HD1 LEU 94 -0.554 -11.804 -3.122 756 HD13 LEU 94 3HD1 LEU 94 -0.428 -10.565 -1.868 757 HD21 LEU 94 3HD2 LEU 94 -3.309 -9.978 -4.989 758 HD22 LEU 94 1HD2 LEU 94 -2.354 -11.466 -5.017 759 HD23 LEU 94 2HD2 LEU 94 -1.583 -9.907 -5.332 760 H GLU 95 H GLU 95 -5.028 -10.589 -0.067 761 HA GLU 95 HA GLU 95 -6.296 -13.023 0.355 762 HB2 GLU 95 2HB GLU 95 -5.410 -11.571 2.150 763 HB3 GLU 95 3HB GLU 95 -6.677 -10.392 1.836 764 HG2 GLU 95 2HG GLU 95 -8.354 -12.206 2.482 765 HG3 GLU 95 3HG GLU 95 -6.977 -13.167 3.022 766 H ALA 96 H ALA 96 -7.683 -9.908 -0.702 767 HA ALA 96 HA ALA 96 -10.451 -10.731 -0.441 768 HB1 ALA 96 3HB ALA 96 -9.792 -8.362 -0.225 769 HB2 ALA 96 1HB ALA 96 -10.957 -8.582 -1.535 770 HB3 ALA 96 2HB ALA 96 -9.245 -8.355 -1.902 771 H MET 97 H MET 97 -7.957 -11.128 -2.805 772 HA MET 97 HA MET 97 -9.780 -11.631 -5.060 773 HB2 MET 97 2HB MET 97 -6.746 -11.900 -4.956 774 HB3 MET 97 3HB MET 97 -7.749 -11.889 -6.405 775 HG2 MET 97 2HG MET 97 -7.297 -9.572 -4.518 776 HG3 MET 97 3HG MET 97 -6.595 -9.774 -6.126 777 HE1 MET 97 3HE MET 97 -9.152 -6.798 -6.510 778 HE2 MET 97 1HE MET 97 -7.464 -7.290 -6.663 779 HE3 MET 97 2HE MET 97 -8.213 -7.185 -5.069 780 H LYS 98 H LYS 98 -9.196 -13.349 -2.444 781 HA LYS 98 HA LYS 98 -9.186 -15.483 -1.759 782 HB2 LYS 98 2HB LYS 98 -9.665 -16.200 -4.685 783 HB3 LYS 98 3HB LYS 98 -9.741 -17.355 -3.359 784 HG2 LYS 98 2HG LYS 98 -11.551 -14.932 -3.658 785 HG3 LYS 98 3HG LYS 98 -11.978 -16.573 -4.153 786 HD2 LYS 98 2HD LYS 98 -11.358 -15.664 -1.307 787 HD3 LYS 98 3HD LYS 98 -12.962 -15.982 -1.968 788 HE2 LYS 98 2HE LYS 98 -10.743 -18.023 -1.570 789 HE3 LYS 98 3HE LYS 98 -12.216 -17.871 -0.612 790 HZ1 LYS 98 3HZ LYS 98 -13.510 -18.458 -2.563 791 HZ2 LYS 98 1HZ LYS 98 -12.360 -19.652 -2.232 792 HZ3 LYS 98 2HZ LYS 98 -12.103 -18.566 -3.498 793 H ASP 99 H ASP 99 -6.737 -14.089 -3.182 794 HA ASP 99 HA ASP 99 -4.997 -16.354 -3.829 795 HB2 ASP 99 2HB ASP 99 -4.574 -13.334 -3.841 796 HB3 ASP 99 3HB ASP 99 -3.263 -14.463 -4.153 797 H TYR 100 H TYR 100 -5.846 -16.585 -1.217 798 HA TYR 100 HA TYR 100 -4.396 -15.515 0.864 799 HB2 TYR 100 2HB TYR 100 -5.200 -18.444 0.639 800 HB3 TYR 100 3HB TYR 100 -4.950 -17.533 2.130 801 HD1 TYR 100 HD1 TYR 100 -6.432 -15.046 1.700 802 HD2 TYR 100 HD2 TYR 100 -7.491 -19.035 0.569 803 HE1 TYR 100 HE1 TYR 100 -8.796 -14.439 1.743 804 HE2 TYR 100 HE2 TYR 100 -9.865 -18.419 0.627 805 HH TYR 100 HH TYR 100 -11.302 -16.759 1.685 806 H THR 101 H THR 101 -3.489 -18.148 -1.292 807 HA THR 101 HA THR 101 -1.111 -19.005 -0.044 808 HB THR 101 HB THR 101 -0.639 -20.073 -2.287 809 HG1 THR 101 HG1 THR 101 -1.824 -19.559 -4.005 810 HG21 THR 101 3HG2 THR 101 -2.069 -21.277 -0.663 811 HG22 THR 101 1HG2 THR 101 -2.615 -21.566 -2.320 812 HG23 THR 101 2HG2 THR 101 -3.492 -20.438 -1.284 813 H LYS 102 H LYS 102 -1.788 -16.414 -2.349 814 HA LYS 102 HA LYS 102 1.052 -15.907 -2.914 815 HB2 LYS 102 2HB LYS 102 -1.424 -14.405 -3.851 816 HB3 LYS 102 3HB LYS 102 0.216 -14.134 -4.426 817 HG2 LYS 102 2HG LYS 102 -1.388 -16.692 -4.829 818 HG3 LYS 102 3HG LYS 102 -1.165 -15.424 -6.029 819 HD2 LYS 102 2HD LYS 102 0.464 -16.917 -6.732 820 HD3 LYS 102 3HD LYS 102 1.433 -15.936 -5.638 821 HE2 LYS 102 2HE LYS 102 1.059 -17.690 -3.856 822 HE3 LYS 102 3HE LYS 102 0.207 -18.658 -5.056 823 HZ1 LYS 102 3HZ LYS 102 2.220 -18.776 -6.356 824 HZ2 LYS 102 1HZ LYS 102 2.507 -19.334 -4.782 825 HZ3 LYS 102 2HZ LYS 102 3.035 -17.795 -5.245 826 H ALA 103 H ALA 103 -1.558 -14.696 -0.989 827 HA ALA 103 HA ALA 103 -0.552 -12.132 -0.332 828 HB1 ALA 103 3HB ALA 103 -2.950 -12.712 -0.125 829 HB2 ALA 103 1HB ALA 103 -2.298 -12.119 1.407 830 HB3 ALA 103 2HB ALA 103 -2.568 -13.850 1.166 831 H MET 104 H MET 104 -0.582 -15.282 1.334 832 HA MET 104 HA MET 104 0.699 -14.573 3.708 833 HB2 MET 104 2HB MET 104 1.070 -16.924 4.081 834 HB3 MET 104 3HB MET 104 -0.499 -16.718 3.328 835 HG2 MET 104 2HG MET 104 0.429 -17.458 1.176 836 HG3 MET 104 3HG MET 104 2.024 -17.624 1.917 837 HE1 MET 104 3HE MET 104 -1.584 -20.164 3.272 838 HE2 MET 104 1HE MET 104 -1.723 -18.863 2.091 839 HE3 MET 104 2HE MET 104 -1.331 -18.495 3.773 840 H ASP 105 H ASP 105 2.040 -15.337 0.551 841 HA ASP 105 HA ASP 105 4.764 -15.606 1.236 842 HB2 ASP 105 2HB ASP 105 3.539 -14.520 -1.341 843 HB3 ASP 105 3HB ASP 105 5.226 -14.995 -1.144 844 H VAL 106 H VAL 106 2.731 -12.824 0.445 845 HA VAL 106 HA VAL 106 4.932 -10.951 0.328 846 HB VAL 106 HB VAL 106 1.919 -10.472 0.194 847 HG11 VAL 106 1HG1 VAL 106 4.182 -8.637 -0.670 848 HG12 VAL 106 2HG1 VAL 106 3.135 -8.394 0.727 849 HG13 VAL 106 3HG1 VAL 106 2.457 -8.326 -0.901 850 HG21 VAL 106 3HG2 VAL 106 2.689 -11.991 -1.597 851 HG22 VAL 106 1HG2 VAL 106 3.919 -10.819 -2.078 852 HG23 VAL 106 2HG2 VAL 106 2.205 -10.434 -2.266 853 H TYR 107 H TYR 107 2.539 -11.977 2.711 854 HA TYR 107 HA TYR 107 3.036 -9.997 4.705 855 HB2 TYR 107 2HB TYR 107 2.034 -12.870 4.939 856 HB3 TYR 107 3HB TYR 107 2.165 -11.784 6.318 857 HD1 TYR 107 HD1 TYR 107 0.953 -9.377 5.849 858 HD2 TYR 107 HD2 TYR 107 -0.124 -13.069 4.041 859 HE1 TYR 107 HE1 TYR 107 -1.310 -8.500 5.409 860 HE2 TYR 107 HE2 TYR 107 -2.356 -12.213 3.593 861 HH TYR 107 HH TYR 107 -3.869 -10.577 4.204 862 H GLN 108 H GLN 108 4.366 -13.234 4.075 863 HA GLN 108 HA GLN 108 6.224 -13.436 6.177 864 HB2 GLN 108 2HB GLN 108 5.411 -15.283 4.617 865 HB3 GLN 108 3HB GLN 108 6.463 -14.630 3.379 866 HG2 GLN 108 2HG GLN 108 7.554 -15.609 6.023 867 HG3 GLN 108 3HG GLN 108 7.223 -16.715 4.697 868 HE21 GLN 108 1HE2 GLN 108 9.251 -14.124 5.815 869 HE22 GLN 108 2HE2 GLN 108 10.506 -14.320 4.648 870 H LYS 109 H LYS 109 6.555 -12.199 2.864 871 HA LYS 109 HA LYS 109 9.254 -11.454 2.922 872 HB2 LYS 109 2HB LYS 109 6.934 -10.391 1.270 873 HB3 LYS 109 3HB LYS 109 8.601 -9.886 1.007 874 HG2 LYS 109 2HG LYS 109 7.579 -12.738 0.772 875 HG3 LYS 109 3HG LYS 109 7.858 -11.639 -0.582 876 HD2 LYS 109 2HD LYS 109 10.027 -12.543 1.366 877 HD3 LYS 109 3HD LYS 109 9.709 -13.303 -0.192 878 HE2 LYS 109 2HE LYS 109 10.236 -11.196 -1.348 879 HE3 LYS 109 3HE LYS 109 10.511 -10.395 0.200 880 HZ1 LYS 109 3HZ LYS 109 12.352 -11.874 0.604 881 HZ2 LYS 109 1HZ LYS 109 12.561 -11.058 -0.860 882 HZ3 LYS 109 2HZ LYS 109 12.080 -12.679 -0.857 883 H ALA 110 H ALA 110 6.298 -9.576 3.690 884 HA ALA 110 HA ALA 110 7.495 -7.103 4.258 885 HB1 ALA 110 3HB ALA 110 5.072 -7.425 3.947 886 HB2 ALA 110 1HB ALA 110 5.421 -6.568 5.452 887 HB3 ALA 110 2HB ALA 110 4.983 -8.278 5.488 888 H LEU 111 H LEU 111 6.905 -9.899 6.380 889 HA LEU 111 HA LEU 111 7.977 -8.860 8.799 890 HB2 LEU 111 2HB LEU 111 7.794 -11.726 7.782 891 HB3 LEU 111 3HB LEU 111 8.210 -11.290 9.436 892 HG LEU 111 HG LEU 111 5.554 -10.609 8.118 893 HD11 LEU 111 1HD1 LEU 111 4.567 -12.413 9.433 894 HD12 LEU 111 2HD1 LEU 111 6.163 -12.873 10.034 895 HD13 LEU 111 3HD1 LEU 111 5.783 -13.035 8.317 896 HD21 LEU 111 3HD2 LEU 111 6.162 -9.070 9.927 897 HD22 LEU 111 1HD2 LEU 111 6.427 -10.430 11.023 898 HD23 LEU 111 2HD2 LEU 111 4.808 -10.089 10.402 899 H ASP 112 H ASP 112 9.428 -10.602 6.072 900 HA ASP 112 HA ASP 112 12.035 -10.970 7.133 901 HB2 ASP 112 2HB ASP 112 11.217 -12.356 5.280 902 HB3 ASP 112 3HB ASP 112 11.029 -10.938 4.254 903 H LEU 113 H LEU 113 10.477 -8.240 5.591 904 HA LEU 113 HA LEU 113 12.809 -6.745 4.907 905 HB2 LEU 113 2HB LEU 113 10.066 -5.649 5.668 906 HB3 LEU 113 3HB LEU 113 11.319 -4.794 4.776 907 HG LEU 113 HG LEU 113 9.730 -7.187 3.796 908 HD11 LEU 113 1HD1 LEU 113 8.384 -5.199 3.783 909 HD12 LEU 113 2HD1 LEU 113 8.779 -5.672 2.133 910 HD13 LEU 113 3HD1 LEU 113 9.624 -4.318 2.888 911 HD21 LEU 113 3HD2 LEU 113 10.859 -6.879 1.621 912 HD22 LEU 113 1HD2 LEU 113 11.971 -7.356 2.901 913 HD23 LEU 113 2HD2 LEU 113 11.922 -5.678 2.360 914 H ASP 114 H ASP 114 10.650 -6.711 7.768 915 HA ASP 114 HA ASP 114 12.776 -6.263 9.635 916 HB2 ASP 114 2HB ASP 114 12.528 -3.949 8.721 917 HB3 ASP 114 3HB ASP 114 10.829 -3.959 9.166 918 H SER 115 H SER 115 12.110 -6.806 11.750 919 HA SER 115 HA SER 115 9.829 -8.477 11.936 920 HB2 SER 115 2HB SER 115 11.621 -7.417 14.158 921 HB3 SER 115 3HB SER 115 10.453 -8.727 14.349 922 HG SER 115 HG SER 115 12.115 -9.128 12.232 923 H SER 116 H SER 116 10.303 -5.090 12.830 924 HA SER 116 HA SER 116 7.955 -4.789 14.437 925 HB2 SER 116 2HB SER 116 9.875 -3.215 14.559 926 HB3 SER 116 3HB SER 116 9.532 -2.663 12.920 927 HG SER 116 HG SER 116 7.755 -1.636 13.616 928 H CYS 117 H CYS 117 8.134 -5.559 11.213 929 HA CYS 117 HA CYS 117 5.610 -4.391 10.406 930 HB2 CYS 117 2HB CYS 117 7.353 -4.844 8.730 931 HB3 CYS 117 3HB CYS 117 7.304 -6.558 9.126 932 HG CYS 117 HG CYS 117 5.178 -7.196 7.782 933 H LYS 118 H LYS 118 6.029 -6.446 12.831 934 HA LYS 118 HA LYS 118 4.709 -8.783 12.701 935 HB2 LYS 118 2HB LYS 118 4.187 -6.601 14.737 936 HB3 LYS 118 3HB LYS 118 3.591 -8.243 14.937 937 HG2 LYS 118 2HG LYS 118 6.505 -7.419 14.775 938 HG3 LYS 118 3HG LYS 118 5.622 -7.849 16.239 939 HD2 LYS 118 2HD LYS 118 6.162 -9.727 13.894 940 HD3 LYS 118 3HD LYS 118 7.062 -9.706 15.412 941 HE2 LYS 118 2HE LYS 118 5.042 -10.344 16.645 942 HE3 LYS 118 3HE LYS 118 4.093 -10.295 15.160 943 HZ1 LYS 118 3HZ LYS 118 4.668 -12.530 15.693 944 HZ2 LYS 118 1HZ LYS 118 6.313 -12.148 15.778 945 HZ3 LYS 118 2HZ LYS 118 5.504 -12.077 14.296 946 H GLU 119 H GLU 119 2.974 -5.785 12.004 947 HA GLU 119 HA GLU 119 0.300 -6.525 12.212 948 HB2 GLU 119 2HB GLU 119 -0.130 -4.833 10.444 949 HB3 GLU 119 3HB GLU 119 0.992 -4.237 11.661 950 HG2 GLU 119 2HG GLU 119 2.887 -4.645 10.159 951 HG3 GLU 119 3HG GLU 119 1.813 -5.335 8.948 952 H ALA 120 H ALA 120 2.621 -7.293 9.695 953 HA ALA 120 HA ALA 120 0.866 -8.612 7.877 954 HB1 ALA 120 3HB ALA 120 3.891 -8.711 8.101 955 HB2 ALA 120 1HB ALA 120 2.968 -7.558 7.134 956 HB3 ALA 120 2HB ALA 120 2.939 -9.272 6.723 957 H ALA 121 H ALA 121 2.619 -9.608 10.767 958 HA ALA 121 HA ALA 121 2.664 -12.426 10.249 959 HB1 ALA 121 3HB ALA 121 4.140 -11.428 11.936 960 HB2 ALA 121 1HB ALA 121 3.117 -12.669 12.666 961 HB3 ALA 121 2HB ALA 121 2.748 -10.958 12.908 962 H ASP 122 H ASP 122 0.441 -10.238 11.958 963 HA ASP 122 HA ASP 122 -1.583 -12.045 12.656 964 HB2 ASP 122 2HB ASP 122 -1.575 -9.719 13.468 965 HB3 ASP 122 3HB ASP 122 -1.812 -9.115 11.834 966 H GLY 123 H GLY 123 -1.126 -10.116 9.698 967 HA2 GLY 123 2HA GLY 123 -3.392 -10.921 8.253 968 HA3 GLY 123 3HA GLY 123 -1.903 -10.293 7.570 969 H TYR 124 H TYR 124 -0.219 -12.455 8.576 970 HA TYR 124 HA TYR 124 -0.480 -14.377 6.516 971 HB2 TYR 124 2HB TYR 124 1.714 -13.842 7.417 972 HB3 TYR 124 3HB TYR 124 1.225 -14.339 9.035 973 HD1 TYR 124 HD1 TYR 124 0.526 -16.292 5.920 974 HD2 TYR 124 HD2 TYR 124 2.938 -16.001 9.424 975 HE1 TYR 124 HE1 TYR 124 1.390 -18.543 5.505 976 HE2 TYR 124 HE2 TYR 124 3.802 -18.261 9.011 977 HH TYR 124 HH TYR 124 3.174 -20.305 7.827 978 H GLN 125 H GLN 125 -0.787 -14.879 10.103 979 HA GLN 125 HA GLN 125 -1.951 -17.402 10.067 980 HB2 GLN 125 2HB GLN 125 -2.104 -15.117 12.038 981 HB3 GLN 125 3HB GLN 125 -3.106 -16.535 12.305 982 HG2 GLN 125 2HG GLN 125 -1.040 -16.684 13.593 983 HG3 GLN 125 3HG GLN 125 -1.137 -17.973 12.399 984 HE21 GLN 125 1HE2 GLN 125 0.390 -14.932 13.184 985 HE22 GLN 125 2HE2 GLN 125 1.774 -15.135 12.180 986 H ARG 126 H ARG 126 -3.458 -14.317 9.514 987 HA ARG 126 HA ARG 126 -6.186 -15.090 9.569 988 HB2 ARG 126 2HB ARG 126 -5.775 -12.796 9.872 989 HB3 ARG 126 3HB ARG 126 -4.599 -12.726 8.577 990 HG2 ARG 126 2HG ARG 126 -6.542 -11.444 7.993 991 HG3 ARG 126 3HG ARG 126 -6.392 -12.828 6.913 992 HD2 ARG 126 2HD ARG 126 -8.135 -14.006 8.308 993 HD3 ARG 126 3HD ARG 126 -8.352 -12.492 9.205 994 HE ARG 126 HE ARG 126 -8.591 -11.714 6.626 995 HH11 ARG 126 1HH1 ARG 126 -10.262 -14.227 8.442 996 HH12 ARG 126 2HH1 ARG 126 -11.699 -14.102 7.487 997 HH21 ARG 126 1HH2 ARG 126 -10.437 -11.568 5.408 998 HH22 ARG 126 2HH2 ARG 126 -11.805 -12.584 5.753 999 H CYS 127 H CYS 127 -3.735 -15.073 6.941 1000 HA CYS 127 HA CYS 127 -5.758 -15.572 4.892 1001 HB2 CYS 127 2HB CYS 127 -2.761 -15.220 4.770 1002 HB3 CYS 127 3HB CYS 127 -3.697 -15.723 3.361 1003 HG CYS 127 HG CYS 127 -4.807 -12.973 4.966 1004 H MET 128 H MET 128 -3.257 -17.451 6.586 1005 HA MET 128 HA MET 128 -3.523 -19.796 5.003 1006 HB2 MET 128 2HB MET 128 -2.317 -20.970 6.792 1007 HB3 MET 128 3HB MET 128 -1.532 -19.459 6.375 1008 HG2 MET 128 2HG MET 128 -2.232 -18.419 8.393 1009 HG3 MET 128 3HG MET 128 -3.387 -19.703 8.749 1010 HE1 MET 128 3HE MET 128 -1.149 -22.664 9.793 1011 HE2 MET 128 1HE MET 128 -1.705 -22.360 8.144 1012 HE3 MET 128 2HE MET 128 -2.786 -22.063 9.507 1013 H MET 129 H MET 129 -5.173 -18.745 8.031 1014 HA MET 129 HA MET 129 -6.718 -21.130 8.305 1015 HB2 MET 129 2HB MET 129 -8.043 -19.990 9.952 1016 HB3 MET 129 3HB MET 129 -6.383 -19.464 10.176 1017 HG2 MET 129 2HG MET 129 -6.831 -17.304 9.329 1018 HG3 MET 129 3HG MET 129 -8.352 -17.806 8.590 1019 HE1 MET 129 3HE MET 129 -10.555 -18.270 9.864 1020 HE2 MET 129 1HE MET 129 -10.749 -18.158 11.615 1021 HE3 MET 129 2HE MET 129 -9.806 -19.475 10.916 1022 H ALA 130 H ALA 130 -7.068 -18.231 6.383 1023 HA ALA 130 HA ALA 130 -9.863 -18.224 5.953 1024 HB1 ALA 130 3HB ALA 130 -7.663 -17.071 4.219 1025 HB2 ALA 130 1HB ALA 130 -8.426 -16.259 5.589 1026 HB3 ALA 130 2HB ALA 130 -9.373 -16.632 4.146 1027 H GLN 131 H GLN 131 -7.218 -19.847 4.245 1028 HA GLN 131 HA GLN 131 -9.008 -21.024 2.269 1029 HB2 GLN 131 2HB GLN 131 -6.955 -22.313 1.540 1030 HB3 GLN 131 3HB GLN 131 -6.792 -20.567 1.439 1031 HG2 GLN 131 2HG GLN 131 -5.429 -20.506 3.421 1032 HG3 GLN 131 3HG GLN 131 -5.725 -22.212 3.732 1033 HE21 GLN 131 1HE2 GLN 131 -3.174 -21.168 3.592 1034 HE22 GLN 131 2HE2 GLN 131 -2.371 -21.817 2.208 1035 H TYR 132 H TYR 132 -7.636 -21.881 5.394 1036 HA TYR 132 HA TYR 132 -8.468 -24.700 5.149 1037 HB2 TYR 132 2HB TYR 132 -6.886 -23.311 7.352 1038 HB3 TYR 132 3HB TYR 132 -7.214 -25.039 7.272 1039 HD1 TYR 132 HD1 TYR 132 -6.691 -24.874 4.031 1040 HD2 TYR 132 HD2 TYR 132 -4.452 -23.902 7.546 1041 HE1 TYR 132 HE1 TYR 132 -4.608 -25.133 2.770 1042 HE2 TYR 132 HE2 TYR 132 -2.360 -24.184 6.292 1043 HH TYR 132 HH TYR 132 -1.567 -25.410 4.252 1044 H ASN 133 H ASN 133 -10.593 -22.956 5.149 1045 HA ASN 133 HA ASN 133 -11.828 -22.598 7.698 1046 HB2 ASN 133 2HB ASN 133 -12.835 -22.491 4.835 1047 HB3 ASN 133 3HB ASN 133 -13.976 -22.426 6.172 1048 HD21 ASN 133 1HD2 ASN 133 -10.841 -20.933 6.544 1049 HD22 ASN 133 2HD2 ASN 133 -11.392 -19.307 6.444 Start of MODEL 20 1 H1 MET 1 1H MET 1 13.624 -0.167 18.374 2 H2 MET 1 2H MET 1 13.736 0.432 16.797 3 H3 MET 1 3H MET 1 13.875 -1.227 17.083 4 HA MET 1 HA MET 1 11.737 -0.610 16.156 5 HB2 MET 1 2HB MET 1 10.363 -1.900 17.743 6 HB3 MET 1 3HB MET 1 11.945 -2.639 17.563 7 HG2 MET 1 2HG MET 1 12.653 -1.743 19.717 8 HG3 MET 1 3HG MET 1 11.121 -0.882 19.889 9 HE1 MET 1 3HE MET 1 10.649 -3.604 22.626 10 HE2 MET 1 1HE MET 1 10.515 -1.892 22.231 11 HE3 MET 1 2HE MET 1 12.099 -2.669 22.256 12 H GLY 2 H GLY 2 9.904 0.665 16.233 13 HA2 GLY 2 2HA GLY 2 8.426 2.288 16.821 14 HA3 GLY 2 3HA GLY 2 9.007 2.170 18.469 15 H HIS 3 H HIS 3 10.746 3.573 19.144 16 HA HIS 3 HA HIS 3 10.397 6.153 17.849 17 HB2 HIS 3 2HB HIS 3 11.247 7.162 19.890 18 HB3 HIS 3 3HB HIS 3 10.033 5.957 20.281 19 HD1 HIS 3 HD1 HIS 3 10.702 4.150 21.908 20 HD2 HIS 3 HD2 HIS 3 13.949 6.406 20.624 21 HE1 HIS 3 HE1 HIS 3 12.602 3.526 23.426 22 HE2 HIS 3 HE2 HIS 3 14.576 4.828 22.577 23 H HIS 4 H HIS 4 11.771 7.113 16.600 24 HA HIS 4 HA HIS 4 14.629 7.208 17.156 25 HB2 HIS 4 2HB HIS 4 13.462 6.280 14.507 26 HB3 HIS 4 3HB HIS 4 14.944 7.224 14.503 27 HD1 HIS 4 HD1 HIS 4 13.872 3.838 14.450 28 HD2 HIS 4 HD2 HIS 4 16.989 5.861 16.295 29 HE1 HIS 4 HE1 HIS 4 15.625 2.104 14.899 30 HE2 HIS 4 HE2 HIS 4 17.388 3.309 16.215 31 H HIS 5 H HIS 5 15.271 9.350 16.995 32 HA HIS 5 HA HIS 5 13.264 11.351 16.630 33 HB2 HIS 5 2HB HIS 5 14.934 12.993 17.168 34 HB3 HIS 5 3HB HIS 5 15.225 11.607 18.204 35 HD1 HIS 5 HD1 HIS 5 16.733 13.580 15.404 36 HD2 HIS 5 HD2 HIS 5 17.713 10.334 17.806 37 HE1 HIS 5 HE1 HIS 5 19.179 13.176 15.024 38 HE2 HIS 5 HE2 HIS 5 19.672 11.057 16.278 39 H HIS 6 H HIS 6 13.120 12.980 15.044 40 HA HIS 6 HA HIS 6 13.549 12.145 12.357 41 HB2 HIS 6 2HB HIS 6 12.568 14.347 11.734 42 HB3 HIS 6 3HB HIS 6 11.602 13.510 12.937 43 HD1 HIS 6 HD1 HIS 6 13.785 16.534 12.509 44 HD2 HIS 6 HD2 HIS 6 11.355 14.807 15.409 45 HE1 HIS 6 HE1 HIS 6 13.489 18.287 14.278 46 HE2 HIS 6 HE2 HIS 6 12.189 17.162 16.104 47 H HIS 7 H HIS 7 14.588 13.608 10.694 48 HA HIS 7 HA HIS 7 17.346 13.892 11.130 49 HB2 HIS 7 2HB HIS 7 17.379 15.046 8.895 50 HB3 HIS 7 3HB HIS 7 16.509 13.521 8.889 51 HD1 HIS 7 HD1 HIS 7 14.501 13.664 7.457 52 HD2 HIS 7 HD2 HIS 7 15.263 17.305 9.313 53 HE1 HIS 7 HE1 HIS 7 12.747 15.242 6.604 54 HE2 HIS 7 HE2 HIS 7 13.146 17.390 7.831 55 H HIS 8 H HIS 8 18.678 15.837 11.055 56 HA HIS 8 HA HIS 8 17.844 17.821 12.921 57 HB2 HIS 8 2HB HIS 8 20.356 17.493 11.252 58 HB3 HIS 8 3HB HIS 8 20.100 18.932 12.237 59 HD1 HIS 8 HD1 HIS 8 20.437 18.715 14.737 60 HD2 HIS 8 HD2 HIS 8 20.653 15.061 12.775 61 HE1 HIS 8 HE1 HIS 8 21.272 17.089 16.443 62 HE2 HIS 8 HE2 HIS 8 21.537 14.919 15.202 63 H SER 9 H SER 9 17.909 20.125 12.573 64 HA SER 9 HA SER 9 15.690 20.725 10.985 65 HB2 SER 9 2HB SER 9 16.241 21.805 13.167 66 HB3 SER 9 3HB SER 9 17.568 22.669 12.397 67 HG SER 9 HG SER 9 15.958 23.610 10.992 68 H HIS 10 H HIS 10 15.421 21.592 9.015 69 HA HIS 10 HA HIS 10 17.472 23.251 7.745 70 HB2 HIS 10 2HB HIS 10 16.259 20.748 6.514 71 HB3 HIS 10 3HB HIS 10 16.860 22.052 5.495 72 HD1 HIS 10 HD1 HIS 10 17.998 19.243 7.664 73 HD2 HIS 10 HD2 HIS 10 19.685 22.362 5.506 74 HE1 HIS 10 HE1 HIS 10 20.437 18.699 7.488 75 HE2 HIS 10 HE2 HIS 10 21.407 20.520 6.062 76 H MET 11 H MET 11 16.638 24.674 6.203 77 HA MET 11 HA MET 11 14.223 25.943 6.826 78 HB2 MET 11 2HB MET 11 15.867 26.176 4.262 79 HB3 MET 11 3HB MET 11 14.652 27.329 4.800 80 HG2 MET 11 2HG MET 11 16.019 27.911 6.732 81 HG3 MET 11 3HG MET 11 17.216 26.698 6.277 82 HE1 MET 11 3HE MET 11 18.745 28.226 2.992 83 HE2 MET 11 1HE MET 11 17.454 27.029 3.104 84 HE3 MET 11 2HE MET 11 18.855 26.919 4.170 85 H ASN 12 H ASN 12 15.038 24.281 3.763 86 HA ASN 12 HA ASN 12 12.414 22.928 3.798 87 HB2 ASN 12 2HB ASN 12 13.752 23.879 1.214 88 HB3 ASN 12 3HB ASN 12 12.168 23.122 1.385 89 HD21 ASN 12 1HD2 ASN 12 10.485 24.382 2.441 90 HD22 ASN 12 2HD2 ASN 12 10.555 26.104 2.403 91 HA PRO 13 HA PRO 13 15.772 19.712 3.618 92 HB2 PRO 13 2HB PRO 13 13.537 17.951 4.570 93 HB3 PRO 13 3HB PRO 13 15.146 18.195 5.277 94 HG2 PRO 13 2HG PRO 13 12.933 19.171 6.449 95 HG3 PRO 13 3HG PRO 13 14.483 20.043 6.509 96 HD2 PRO 13 2HD PRO 13 12.087 20.563 4.756 97 HD3 PRO 13 3HD PRO 13 13.142 21.721 5.598 98 H ASP 14 H ASP 14 12.392 19.617 2.591 99 HA ASP 14 HA ASP 14 12.849 18.731 -0.058 100 HB2 ASP 14 2HB ASP 14 13.341 16.581 1.086 101 HB3 ASP 14 3HB ASP 14 11.791 16.645 1.914 102 H LEU 15 H LEU 15 11.265 19.939 -1.007 103 HA LEU 15 HA LEU 15 8.921 20.917 0.237 104 HB2 LEU 15 2HB LEU 15 9.485 20.613 -2.745 105 HB3 LEU 15 3HB LEU 15 8.170 21.548 -2.057 106 HG LEU 15 HG LEU 15 10.064 22.924 -0.877 107 HD11 LEU 15 1HD1 LEU 15 11.723 21.677 -3.076 108 HD12 LEU 15 2HD1 LEU 15 11.966 21.523 -1.335 109 HD13 LEU 15 3HD1 LEU 15 12.189 23.083 -2.113 110 HD21 LEU 15 3HD2 LEU 15 8.581 23.848 -2.596 111 HD22 LEU 15 1HD2 LEU 15 9.604 23.183 -3.874 112 HD23 LEU 15 2HD2 LEU 15 10.218 24.455 -2.813 113 H ALA 16 H ALA 16 9.589 18.073 -1.670 114 HA ALA 16 HA ALA 16 7.002 17.103 -2.151 115 HB1 ALA 16 3HB ALA 16 8.994 16.224 -3.267 116 HB2 ALA 16 1HB ALA 16 8.083 14.926 -2.499 117 HB3 ALA 16 2HB ALA 16 9.567 15.527 -1.754 118 H LEU 17 H LEU 17 8.972 17.055 0.782 119 HA LEU 17 HA LEU 17 7.341 15.096 2.129 120 HB2 LEU 17 2HB LEU 17 8.885 15.132 3.806 121 HB3 LEU 17 3HB LEU 17 9.861 15.912 2.590 122 HG LEU 17 HG LEU 17 8.994 18.161 3.703 123 HD11 LEU 17 1HD1 LEU 17 8.636 16.294 6.065 124 HD12 LEU 17 2HD1 LEU 17 7.344 17.147 5.221 125 HD13 LEU 17 3HD1 LEU 17 8.571 18.060 6.098 126 HD21 LEU 17 3HD2 LEU 17 10.923 18.196 5.223 127 HD22 LEU 17 1HD2 LEU 17 11.347 17.475 3.673 128 HD23 LEU 17 2HD2 LEU 17 11.088 16.444 5.082 129 H MET 18 H MET 18 7.178 18.531 1.582 130 HA MET 18 HA MET 18 5.466 19.153 3.826 131 HB2 MET 18 2HB MET 18 5.977 20.792 1.300 132 HB3 MET 18 3HB MET 18 5.241 21.385 2.787 133 HG2 MET 18 2HG MET 18 8.096 20.434 2.456 134 HG3 MET 18 3HG MET 18 7.562 22.107 2.640 135 HE1 MET 18 3HE MET 18 9.424 21.203 6.049 136 HE2 MET 18 1HE MET 18 9.456 22.258 4.637 137 HE3 MET 18 2HE MET 18 9.823 20.539 4.466 138 H VAL 19 H VAL 19 5.017 18.565 0.347 139 HA VAL 19 HA VAL 19 2.206 19.116 0.300 140 HB VAL 19 HB VAL 19 3.671 19.351 -1.721 141 HG11 VAL 19 1HG1 VAL 19 3.669 16.315 -1.833 142 HG12 VAL 19 2HG1 VAL 19 5.055 17.342 -1.463 143 HG13 VAL 19 3HG1 VAL 19 4.319 17.402 -3.063 144 HG21 VAL 19 3HG2 VAL 19 1.214 19.225 -1.998 145 HG22 VAL 19 1HG2 VAL 19 1.306 17.468 -2.159 146 HG23 VAL 19 2HG2 VAL 19 2.039 18.510 -3.381 147 H LYS 20 H LYS 20 4.078 16.208 0.929 148 HA LYS 20 HA LYS 20 2.031 14.309 0.260 149 HB2 LYS 20 2HB LYS 20 3.500 12.595 1.078 150 HB3 LYS 20 3HB LYS 20 4.508 13.784 0.262 151 HG2 LYS 20 2HG LYS 20 5.296 14.673 2.366 152 HG3 LYS 20 3HG LYS 20 4.128 13.726 3.275 153 HD2 LYS 20 2HD LYS 20 6.313 12.730 3.520 154 HD3 LYS 20 3HD LYS 20 5.297 11.647 2.573 155 HE2 LYS 20 2HE LYS 20 6.419 12.339 0.520 156 HE3 LYS 20 3HE LYS 20 7.366 13.535 1.410 157 HZ1 LYS 20 3HZ LYS 20 8.609 11.500 0.998 158 HZ2 LYS 20 1HZ LYS 20 7.468 10.607 1.867 159 HZ3 LYS 20 2HZ LYS 20 8.400 11.776 2.653 160 H ASN 21 H ASN 21 2.871 16.063 3.175 161 HA ASN 21 HA ASN 21 1.922 14.239 5.122 162 HB2 ASN 21 2HB ASN 21 2.446 17.239 5.292 163 HB3 ASN 21 3HB ASN 21 2.016 16.253 6.686 164 HD21 ASN 21 1HD2 ASN 21 4.450 17.805 6.150 165 HD22 ASN 21 2HD2 ASN 21 5.761 16.689 6.265 166 H LYS 22 H LYS 22 0.426 17.142 3.712 167 HA LYS 22 HA LYS 22 -2.101 16.729 5.024 168 HB2 LYS 22 2HB LYS 22 -2.978 18.528 3.576 169 HB3 LYS 22 3HB LYS 22 -1.505 18.995 4.401 170 HG2 LYS 22 2HG LYS 22 -1.239 17.926 1.612 171 HG3 LYS 22 3HG LYS 22 -1.942 19.526 1.801 172 HD2 LYS 22 2HD LYS 22 0.788 18.668 2.834 173 HD3 LYS 22 3HD LYS 22 0.494 19.606 1.367 174 HE2 LYS 22 2HE LYS 22 -0.085 20.471 4.217 175 HE3 LYS 22 3HE LYS 22 1.176 21.103 3.162 176 HZ1 LYS 22 3HZ LYS 22 -1.753 21.366 2.742 177 HZ2 LYS 22 1HZ LYS 22 -0.562 21.944 1.692 178 HZ3 LYS 22 2HZ LYS 22 -0.702 22.586 3.246 179 H GLY 23 H GLY 23 -0.619 15.585 2.093 180 HA2 GLY 23 2HA GLY 23 -2.841 14.958 0.490 181 HA3 GLY 23 3HA GLY 23 -1.282 14.152 0.436 182 H ASN 24 H ASN 24 -1.039 12.848 2.729 183 HA ASN 24 HA ASN 24 -2.860 10.671 2.525 184 HB2 ASN 24 2HB ASN 24 -1.582 9.601 4.329 185 HB3 ASN 24 3HB ASN 24 -0.508 10.282 3.114 186 HD21 ASN 24 1HD2 ASN 24 0.863 11.973 3.698 187 HD22 ASN 24 2HD2 ASN 24 1.066 12.498 5.327 188 H GLU 25 H GLU 25 -2.691 13.457 4.703 189 HA GLU 25 HA GLU 25 -4.450 12.287 6.655 190 HB2 GLU 25 2HB GLU 25 -4.187 14.170 7.949 191 HB3 GLU 25 3HB GLU 25 -2.716 14.245 6.991 192 HG2 GLU 25 2HG GLU 25 -3.743 15.941 5.528 193 HG3 GLU 25 3HG GLU 25 -5.246 15.827 6.433 194 H CYS 26 H CYS 26 -4.919 14.203 3.726 195 HA CYS 26 HA CYS 26 -7.490 15.160 4.039 196 HB2 CYS 26 2HB CYS 26 -6.106 14.139 1.548 197 HB3 CYS 26 3HB CYS 26 -7.700 14.900 1.498 198 HG CYS 26 HG CYS 26 -5.519 16.728 3.198 199 H PHE 27 H PHE 27 -6.549 11.952 2.924 200 HA PHE 27 HA PHE 27 -9.013 10.719 2.500 201 HB2 PHE 27 2HB PHE 27 -6.880 9.708 1.863 202 HB3 PHE 27 3HB PHE 27 -6.340 9.657 3.536 203 HD1 PHE 27 HD2 PHE 27 -8.913 8.244 1.205 204 HD2 PHE 27 HD1 PHE 27 -6.690 7.739 4.805 205 HE1 PHE 27 HE2 PHE 27 -9.778 5.955 1.420 206 HE2 PHE 27 HE1 PHE 27 -7.560 5.447 5.027 207 HZ PHE 27 HZ PHE 27 -9.104 4.558 3.334 208 H GLN 28 H GLN 28 -7.119 11.082 5.470 209 HA GLN 28 HA GLN 28 -8.932 9.746 7.243 210 HB2 GLN 28 2HB GLN 28 -6.526 9.885 7.719 211 HB3 GLN 28 3HB GLN 28 -6.599 11.639 7.775 212 HG2 GLN 28 2HG GLN 28 -6.429 10.694 10.018 213 HG3 GLN 28 3HG GLN 28 -7.957 11.548 9.805 214 HE21 GLN 28 1HE2 GLN 28 -7.296 8.244 8.639 215 HE22 GLN 28 2HE2 GLN 28 -8.422 7.470 9.688 216 H LYS 29 H LYS 29 -8.931 12.950 5.866 217 HA LYS 29 HA LYS 29 -10.667 14.095 7.942 218 HB2 LYS 29 2HB LYS 29 -10.188 15.340 5.203 219 HB3 LYS 29 3HB LYS 29 -10.641 16.148 6.696 220 HG2 LYS 29 2HG LYS 29 -7.933 14.990 6.005 221 HG3 LYS 29 3HG LYS 29 -8.348 16.695 6.071 222 HD2 LYS 29 2HD LYS 29 -8.342 14.807 8.455 223 HD3 LYS 29 3HD LYS 29 -7.025 15.903 8.030 224 HE2 LYS 29 2HE LYS 29 -8.615 17.820 8.277 225 HE3 LYS 29 3HE LYS 29 -9.837 16.678 8.848 226 HZ1 LYS 29 3HZ LYS 29 -7.206 17.185 10.127 227 HZ2 LYS 29 1HZ LYS 29 -8.371 16.089 10.676 228 HZ3 LYS 29 2HZ LYS 29 -8.699 17.748 10.682 229 H GLY 30 H GLY 30 -11.093 11.820 5.586 230 HA2 GLY 30 2HA GLY 30 -13.166 10.803 5.093 231 HA3 GLY 30 3HA GLY 30 -13.988 12.341 5.332 232 H ASP 31 H ASP 31 -11.360 13.194 3.600 233 HA ASP 31 HA ASP 31 -12.822 13.208 1.060 234 HB2 ASP 31 2HB ASP 31 -10.228 14.602 1.868 235 HB3 ASP 31 3HB ASP 31 -11.060 14.801 0.330 236 H TYR 32 H TYR 32 -12.533 10.880 0.833 237 HA TYR 32 HA TYR 32 -10.084 9.566 0.464 238 HB2 TYR 32 2HB TYR 32 -12.795 8.889 -0.764 239 HB3 TYR 32 3HB TYR 32 -11.401 7.819 -0.784 240 HD1 TYR 32 HD1 TYR 32 -11.502 9.474 2.409 241 HD2 TYR 32 HD2 TYR 32 -13.352 6.329 0.170 242 HE1 TYR 32 HE1 TYR 32 -12.263 8.422 4.496 243 HE2 TYR 32 HE2 TYR 32 -14.104 5.296 2.252 244 HH TYR 32 HH TYR 32 -13.945 6.895 5.279 245 HA PRO 33 HA PRO 33 -10.379 10.400 -4.310 246 HB2 PRO 33 2HB PRO 33 -11.988 12.381 -5.300 247 HB3 PRO 33 3HB PRO 33 -12.548 10.717 -5.049 248 HG2 PRO 33 2HG PRO 33 -12.947 13.113 -3.280 249 HG3 PRO 33 3HG PRO 33 -14.123 11.873 -3.779 250 HD2 PRO 33 2HD PRO 33 -12.885 11.801 -1.363 251 HD3 PRO 33 3HD PRO 33 -13.351 10.322 -2.233 252 H GLN 34 H GLN 34 -10.896 13.386 -2.380 253 HA GLN 34 HA GLN 34 -9.220 15.124 -3.839 254 HB2 GLN 34 2HB GLN 34 -9.946 15.204 -0.892 255 HB3 GLN 34 3HB GLN 34 -9.228 16.537 -1.780 256 HG2 GLN 34 2HG GLN 34 -11.894 15.328 -2.550 257 HG3 GLN 34 3HG GLN 34 -11.755 16.623 -1.368 258 HE21 GLN 34 1HE2 GLN 34 -11.339 15.784 -4.742 259 HE22 GLN 34 2HE2 GLN 34 -11.307 17.399 -5.349 260 H ALA 35 H ALA 35 -8.561 12.940 -1.126 261 HA ALA 35 HA ALA 35 -5.843 13.463 -0.666 262 HB1 ALA 35 3HB ALA 35 -5.723 11.171 0.248 263 HB2 ALA 35 1HB ALA 35 -7.266 10.775 -0.510 264 HB3 ALA 35 2HB ALA 35 -7.197 11.982 0.773 265 H MET 36 H MET 36 -7.460 11.488 -3.129 266 HA MET 36 HA MET 36 -5.103 10.125 -4.083 267 HB2 MET 36 2HB MET 36 -7.363 9.111 -4.154 268 HB3 MET 36 3HB MET 36 -7.908 10.371 -5.249 269 HG2 MET 36 2HG MET 36 -6.248 9.547 -6.925 270 HG3 MET 36 3HG MET 36 -5.874 8.214 -5.827 271 HE1 MET 36 3HE MET 36 -10.007 8.834 -7.807 272 HE2 MET 36 1HE MET 36 -8.617 9.879 -8.111 273 HE3 MET 36 2HE MET 36 -9.408 9.894 -6.534 274 H LYS 37 H LYS 37 -7.031 12.897 -5.062 275 HA LYS 37 HA LYS 37 -5.675 13.502 -7.505 276 HB2 LYS 37 2HB LYS 37 -7.399 15.277 -5.714 277 HB3 LYS 37 3HB LYS 37 -6.904 15.659 -7.362 278 HG2 LYS 37 2HG LYS 37 -8.177 13.725 -8.204 279 HG3 LYS 37 3HG LYS 37 -8.657 13.329 -6.551 280 HD2 LYS 37 2HD LYS 37 -9.979 15.363 -6.377 281 HD3 LYS 37 3HD LYS 37 -9.350 15.963 -7.916 282 HE2 LYS 37 2HE LYS 37 -11.615 15.112 -8.219 283 HE3 LYS 37 3HE LYS 37 -10.474 14.093 -9.094 284 HZ1 LYS 37 3HZ LYS 37 -11.720 13.485 -6.473 285 HZ2 LYS 37 1HZ LYS 37 -10.579 12.512 -7.263 286 HZ3 LYS 37 2HZ LYS 37 -12.099 12.765 -7.954 287 H HIS 38 H HIS 38 -5.308 14.382 -4.123 288 HA HIS 38 HA HIS 38 -3.253 16.345 -4.558 289 HB2 HIS 38 2HB HIS 38 -4.834 16.211 -2.523 290 HB3 HIS 38 3HB HIS 38 -3.798 14.919 -1.918 291 HD1 HIS 38 HD1 HIS 38 -4.075 18.578 -2.132 292 HD2 HIS 38 HD2 HIS 38 -1.085 15.807 -1.399 293 HE1 HIS 38 HE1 HIS 38 -2.182 19.884 -1.119 294 HE2 HIS 38 HE2 HIS 38 -0.403 18.178 -0.630 295 H TYR 39 H TYR 39 -3.343 12.854 -4.121 296 HA TYR 39 HA TYR 39 -0.553 12.513 -3.687 297 HB2 TYR 39 2HB TYR 39 -2.624 10.599 -4.818 298 HB3 TYR 39 3HB TYR 39 -0.926 10.155 -4.640 299 HD1 TYR 39 HD2 TYR 39 -0.190 11.336 -2.000 300 HD2 TYR 39 HD1 TYR 39 -3.771 9.314 -3.208 301 HE1 TYR 39 HE2 TYR 39 -0.616 10.641 0.320 302 HE2 TYR 39 HE1 TYR 39 -4.155 8.645 -0.883 303 HH TYR 39 HH TYR 39 -3.016 8.298 1.114 304 H THR 40 H THR 40 -2.529 12.824 -6.634 305 HA THR 40 HA THR 40 -0.603 12.101 -8.523 306 HB THR 40 HB THR 40 -2.723 14.257 -8.912 307 HG1 THR 40 HG1 THR 40 -2.903 11.450 -8.746 308 HG21 THR 40 3HG2 THR 40 -1.367 12.368 -10.876 309 HG22 THR 40 1HG2 THR 40 -1.122 14.113 -10.778 310 HG23 THR 40 2HG2 THR 40 -2.687 13.471 -11.280 311 H GLU 41 H GLU 41 -1.292 15.342 -7.134 312 HA GLU 41 HA GLU 41 0.839 16.702 -8.515 313 HB2 GLU 41 2HB GLU 41 0.316 18.617 -7.033 314 HB3 GLU 41 3HB GLU 41 -1.139 17.948 -7.761 315 HG2 GLU 41 2HG GLU 41 -1.635 16.754 -5.655 316 HG3 GLU 41 3HG GLU 41 -0.179 17.433 -4.935 317 H ALA 42 H ALA 42 0.604 14.953 -5.469 318 HA ALA 42 HA ALA 42 3.041 15.822 -4.272 319 HB1 ALA 42 3HB ALA 42 2.835 13.849 -2.812 320 HB2 ALA 42 1HB ALA 42 1.568 13.194 -3.853 321 HB3 ALA 42 2HB ALA 42 1.291 14.689 -2.959 322 H ILE 43 H ILE 43 2.218 13.126 -6.463 323 HA ILE 43 HA ILE 43 4.691 11.766 -6.482 324 HB ILE 43 HB ILE 43 2.202 11.719 -8.183 325 HG12 ILE 43 2HG1 ILE 43 2.428 9.211 -7.831 326 HG13 ILE 43 3HG1 ILE 43 3.883 9.505 -6.894 327 HG21 ILE 43 1HG2 ILE 43 4.758 10.476 -9.278 328 HG22 ILE 43 2HG2 ILE 43 3.842 11.801 -9.999 329 HG23 ILE 43 3HG2 ILE 43 3.129 10.195 -9.902 330 HD11 ILE 43 3HD1 ILE 43 2.526 10.714 -5.236 331 HD12 ILE 43 1HD1 ILE 43 1.996 9.047 -5.474 332 HD13 ILE 43 2HD1 ILE 43 1.082 10.375 -6.200 333 H LYS 44 H LYS 44 3.589 14.594 -8.242 334 HA LYS 44 HA LYS 44 5.589 14.752 -10.251 335 HB2 LYS 44 2HB LYS 44 4.258 17.134 -8.880 336 HB3 LYS 44 3HB LYS 44 4.952 17.091 -10.497 337 HG2 LYS 44 2HG LYS 44 2.427 15.682 -9.571 338 HG3 LYS 44 3HG LYS 44 2.519 17.109 -10.606 339 HD2 LYS 44 2HD LYS 44 3.608 15.769 -12.373 340 HD3 LYS 44 3HD LYS 44 3.571 14.342 -11.332 341 HE2 LYS 44 2HE LYS 44 1.753 14.246 -12.961 342 HE3 LYS 44 3HE LYS 44 1.088 14.420 -11.337 343 HZ1 LYS 44 3HZ LYS 44 0.779 16.776 -11.766 344 HZ2 LYS 44 1HZ LYS 44 -0.030 15.848 -12.921 345 HZ3 LYS 44 2HZ LYS 44 1.426 16.608 -13.316 346 H ARG 45 H ARG 45 5.463 15.733 -6.894 347 HA ARG 45 HA ARG 45 8.034 17.089 -6.825 348 HB2 ARG 45 2HB ARG 45 6.073 16.276 -4.633 349 HB3 ARG 45 3HB ARG 45 7.534 17.214 -4.344 350 HG2 ARG 45 2HG ARG 45 5.268 18.126 -6.142 351 HG3 ARG 45 3HG ARG 45 5.418 18.561 -4.437 352 HD2 ARG 45 2HD ARG 45 7.583 19.663 -4.913 353 HD3 ARG 45 3HD ARG 45 7.425 19.222 -6.614 354 HE ARG 45 HE ARG 45 5.140 20.593 -6.118 355 HH11 ARG 45 1HH1 ARG 45 8.550 21.407 -5.676 356 HH12 ARG 45 2HH1 ARG 45 8.285 23.103 -5.910 357 HH21 ARG 45 1HH2 ARG 45 4.825 22.807 -6.419 358 HH22 ARG 45 2HH2 ARG 45 6.169 23.898 -6.329 359 H ASN 46 H ASN 46 6.655 13.978 -5.829 360 HA ASN 46 HA ASN 46 9.321 12.918 -5.178 361 HB2 ASN 46 2HB ASN 46 8.127 11.501 -3.369 362 HB3 ASN 46 3HB ASN 46 8.446 13.184 -3.010 363 HD21 ASN 46 1HD2 ASN 46 5.899 10.936 -3.986 364 HD22 ASN 46 2HD2 ASN 46 4.594 11.880 -3.374 365 HA PRO 47 HA PRO 47 7.413 10.052 -8.284 366 HB2 PRO 47 2HB PRO 47 9.566 9.815 -9.921 367 HB3 PRO 47 3HB PRO 47 8.483 11.219 -10.008 368 HG2 PRO 47 2HG PRO 47 11.142 10.983 -8.635 369 HG3 PRO 47 3HG PRO 47 10.538 12.283 -9.687 370 HD2 PRO 47 2HD PRO 47 10.496 12.459 -6.964 371 HD3 PRO 47 3HD PRO 47 9.284 13.258 -7.990 372 H LYS 48 H LYS 48 10.157 9.941 -6.142 373 HA LYS 48 HA LYS 48 10.710 7.102 -6.609 374 HB2 LYS 48 2HB LYS 48 12.118 9.011 -4.698 375 HB3 LYS 48 3HB LYS 48 12.672 7.419 -5.206 376 HG2 LYS 48 2HG LYS 48 12.459 9.899 -6.932 377 HG3 LYS 48 3HG LYS 48 13.943 9.133 -6.359 378 HD2 LYS 48 2HD LYS 48 11.937 7.925 -8.302 379 HD3 LYS 48 3HD LYS 48 13.513 8.587 -8.730 380 HE2 LYS 48 2HE LYS 48 13.019 6.152 -6.979 381 HE3 LYS 48 3HE LYS 48 13.564 6.134 -8.649 382 HZ1 LYS 48 3HZ LYS 48 15.547 7.383 -7.920 383 HZ2 LYS 48 1HZ LYS 48 15.434 5.847 -7.217 384 HZ3 LYS 48 2HZ LYS 48 15.035 7.221 -6.317 385 H ASP 49 H ASP 49 8.943 9.073 -4.397 386 HA ASP 49 HA ASP 49 9.068 7.290 -2.132 387 HB2 ASP 49 2HB ASP 49 7.365 9.735 -2.755 388 HB3 ASP 49 3HB ASP 49 7.109 8.774 -1.302 389 H ALA 50 H ALA 50 8.530 5.336 -3.162 390 HA ALA 50 HA ALA 50 6.148 4.753 -4.541 391 HB1 ALA 50 3HB ALA 50 8.155 3.359 -4.706 392 HB2 ALA 50 1HB ALA 50 6.748 2.401 -4.243 393 HB3 ALA 50 2HB ALA 50 7.952 2.847 -3.030 394 H LYS 51 H LYS 51 6.740 5.127 -1.156 395 HA LYS 51 HA LYS 51 4.487 3.642 -0.205 396 HB2 LYS 51 2HB LYS 51 4.964 4.569 1.967 397 HB3 LYS 51 3HB LYS 51 6.485 4.185 1.191 398 HG2 LYS 51 2HG LYS 51 7.048 6.220 2.097 399 HG3 LYS 51 3HG LYS 51 6.443 6.769 0.536 400 HD2 LYS 51 2HD LYS 51 5.572 8.196 2.331 401 HD3 LYS 51 3HD LYS 51 4.248 7.305 1.577 402 HE2 LYS 51 2HE LYS 51 3.961 7.336 3.998 403 HE3 LYS 51 3HE LYS 51 4.299 5.687 3.467 404 HZ1 LYS 51 3HZ LYS 51 6.273 7.570 4.631 405 HZ2 LYS 51 1HZ LYS 51 6.594 5.983 4.144 406 HZ3 LYS 51 2HZ LYS 51 5.547 6.277 5.437 407 H LEU 52 H LEU 52 4.917 6.954 -1.401 408 HA LEU 52 HA LEU 52 2.375 8.025 -0.634 409 HB2 LEU 52 2HB LEU 52 4.519 8.825 -2.570 410 HB3 LEU 52 3HB LEU 52 2.917 9.401 -2.980 411 HG LEU 52 HG LEU 52 4.103 11.120 -1.749 412 HD11 LEU 52 1HD1 LEU 52 1.916 9.924 -0.019 413 HD12 LEU 52 2HD1 LEU 52 1.682 10.987 -1.407 414 HD13 LEU 52 3HD1 LEU 52 2.489 11.592 0.031 415 HD21 LEU 52 3HD2 LEU 52 5.691 9.715 -0.504 416 HD22 LEU 52 1HD2 LEU 52 4.388 9.151 0.544 417 HD23 LEU 52 2HD2 LEU 52 4.864 10.849 0.557 418 H TYR 53 H TYR 53 3.512 6.365 -3.506 419 HA TYR 53 HA TYR 53 1.134 6.169 -4.989 420 HB2 TYR 53 2HB TYR 53 3.484 4.243 -4.772 421 HB3 TYR 53 3HB TYR 53 2.218 4.124 -5.987 422 HD1 TYR 53 HD2 TYR 53 5.053 6.205 -4.824 423 HD2 TYR 53 HD1 TYR 53 2.331 5.472 -8.006 424 HE1 TYR 53 HE2 TYR 53 6.411 7.618 -6.287 425 HE2 TYR 53 HE1 TYR 53 3.672 6.890 -9.479 426 HH TYR 53 HH TYR 53 6.818 7.884 -8.705 427 H SER 54 H SER 54 2.563 4.048 -2.516 428 HA SER 54 HA SER 54 0.629 1.998 -2.469 429 HB2 SER 54 2HB SER 54 2.849 1.633 -1.525 430 HB3 SER 54 3HB SER 54 2.597 2.899 -0.326 431 HG SER 54 HG SER 54 0.820 0.728 -0.441 432 H ASN 55 H ASN 55 0.753 5.120 -0.825 433 HA ASN 55 HA ASN 55 -1.383 4.701 1.030 434 HB2 ASN 55 2HB ASN 55 -0.319 7.284 -0.191 435 HB3 ASN 55 3HB ASN 55 -1.536 7.232 1.076 436 HD21 ASN 55 1HD2 ASN 55 0.992 8.544 1.121 437 HD22 ASN 55 2HD2 ASN 55 1.896 7.870 2.435 438 H ARG 56 H ARG 56 -1.185 5.948 -2.264 439 HA ARG 56 HA ARG 56 -3.918 6.621 -2.636 440 HB2 ARG 56 2HB ARG 56 -2.064 7.479 -4.034 441 HB3 ARG 56 3HB ARG 56 -1.773 5.863 -4.661 442 HG2 ARG 56 2HG ARG 56 -3.962 5.879 -5.766 443 HG3 ARG 56 3HG ARG 56 -4.309 7.474 -5.097 444 HD2 ARG 56 2HD ARG 56 -2.628 8.513 -6.438 445 HD3 ARG 56 3HD ARG 56 -1.901 6.964 -6.864 446 HE ARG 56 HE ARG 56 -4.636 7.536 -7.767 447 HH11 ARG 56 1HH1 ARG 56 -1.238 7.140 -8.616 448 HH12 ARG 56 2HH1 ARG 56 -1.548 7.006 -10.315 449 HH21 ARG 56 1HH2 ARG 56 -5.029 7.293 -10.000 450 HH22 ARG 56 2HH2 ARG 56 -3.708 7.090 -11.102 451 H ALA 57 H ALA 57 -2.026 3.692 -3.242 452 HA ALA 57 HA ALA 57 -4.033 2.039 -4.359 453 HB1 ALA 57 3HB ALA 57 -1.560 1.265 -2.760 454 HB2 ALA 57 1HB ALA 57 -1.626 1.523 -4.505 455 HB3 ALA 57 2HB ALA 57 -2.505 0.176 -3.781 456 H ALA 58 H ALA 58 -3.093 2.783 -1.034 457 HA ALA 58 HA ALA 58 -4.819 0.928 0.315 458 HB1 ALA 58 3HB ALA 58 -3.525 3.461 1.386 459 HB2 ALA 58 1HB ALA 58 -2.794 1.853 1.390 460 HB3 ALA 58 2HB ALA 58 -4.237 2.167 2.353 461 H CYS 59 H CYS 59 -5.267 4.132 -1.027 462 HA CYS 59 HA CYS 59 -7.846 4.610 0.174 463 HB2 CYS 59 2HB CYS 59 -6.607 5.861 -2.313 464 HB3 CYS 59 3HB CYS 59 -8.028 6.465 -1.461 465 HG CYS 59 HG CYS 59 -5.447 6.158 0.587 466 H TYR 60 H TYR 60 -6.645 3.266 -2.897 467 HA TYR 60 HA TYR 60 -9.098 2.861 -4.209 468 HB2 TYR 60 2HB TYR 60 -6.426 1.458 -4.486 469 HB3 TYR 60 3HB TYR 60 -7.800 1.040 -5.510 470 HD1 TYR 60 HD1 TYR 60 -9.035 3.647 -6.066 471 HD2 TYR 60 HD2 TYR 60 -4.886 2.590 -5.956 472 HE1 TYR 60 HE1 TYR 60 -8.515 5.477 -7.608 473 HE2 TYR 60 HE2 TYR 60 -4.390 4.429 -7.503 474 HH TYR 60 HH TYR 60 -6.674 6.868 -8.240 475 H THR 61 H THR 61 -7.744 0.998 -1.585 476 HA THR 61 HA THR 61 -9.317 -1.358 -1.910 477 HB THR 61 HB THR 61 -8.903 -1.796 0.474 478 HG1 THR 61 HG1 THR 61 -7.423 0.353 1.140 479 HG21 THR 61 3HG2 THR 61 -6.426 -0.564 -0.809 480 HG22 THR 61 1HG2 THR 61 -7.000 -2.218 -1.060 481 HG23 THR 61 2HG2 THR 61 -6.434 -1.711 0.531 482 H LYS 62 H LYS 62 -9.884 1.786 -0.375 483 HA LYS 62 HA LYS 62 -12.475 1.147 0.762 484 HB2 LYS 62 2HB LYS 62 -11.064 3.822 0.384 485 HB3 LYS 62 3HB LYS 62 -12.507 3.569 1.363 486 HG2 LYS 62 2HG LYS 62 -9.811 2.270 1.881 487 HG3 LYS 62 3HG LYS 62 -10.404 3.718 2.694 488 HD2 LYS 62 2HD LYS 62 -11.761 1.000 2.798 489 HD3 LYS 62 3HD LYS 62 -10.685 1.631 4.044 490 HE2 LYS 62 2HE LYS 62 -12.233 3.472 4.495 491 HE3 LYS 62 3HE LYS 62 -13.286 2.944 3.180 492 HZ1 LYS 62 3HZ LYS 62 -13.717 0.906 4.363 493 HZ2 LYS 62 1HZ LYS 62 -14.087 2.227 5.352 494 HZ3 LYS 62 2HZ LYS 62 -12.660 1.352 5.607 495 H LEU 63 H LEU 63 -11.270 2.320 -2.226 496 HA LEU 63 HA LEU 63 -13.889 3.134 -3.258 497 HB2 LEU 63 2HB LEU 63 -11.159 3.080 -4.606 498 HB3 LEU 63 3HB LEU 63 -12.614 3.821 -5.257 499 HG LEU 63 HG LEU 63 -11.109 4.739 -2.769 500 HD11 LEU 63 1HD1 LEU 63 -9.865 5.268 -4.800 501 HD12 LEU 63 2HD1 LEU 63 -10.499 6.738 -4.064 502 HD13 LEU 63 3HD1 LEU 63 -11.283 6.061 -5.492 503 HD21 LEU 63 3HD2 LEU 63 -13.493 5.158 -2.479 504 HD22 LEU 63 1HD2 LEU 63 -13.580 5.959 -4.052 505 HD23 LEU 63 2HD2 LEU 63 -12.650 6.683 -2.737 506 H LEU 64 H LEU 64 -12.334 0.270 -2.734 507 HA LEU 64 HA LEU 64 -12.586 -1.868 -3.366 508 HB2 LEU 64 2HB LEU 64 -15.086 -0.744 -4.657 509 HB3 LEU 64 3HB LEU 64 -14.694 -2.447 -4.773 510 HG LEU 64 HG LEU 64 -16.323 -2.137 -3.003 511 HD11 LEU 64 1HD1 LEU 64 -13.624 -2.747 -1.766 512 HD12 LEU 64 2HD1 LEU 64 -14.659 -3.890 -2.622 513 HD13 LEU 64 3HD1 LEU 64 -15.201 -3.188 -1.100 514 HD21 LEU 64 3HD2 LEU 64 -14.393 -0.215 -1.658 515 HD22 LEU 64 1HD2 LEU 64 -15.932 -0.783 -1.003 516 HD23 LEU 64 2HD2 LEU 64 -15.912 0.224 -2.448 517 H GLU 65 H GLU 65 -11.288 0.218 -5.264 518 HA GLU 65 HA GLU 65 -11.144 -1.287 -7.786 519 HB2 GLU 65 2HB GLU 65 -9.896 1.372 -6.948 520 HB3 GLU 65 3HB GLU 65 -9.806 0.664 -8.560 521 HG2 GLU 65 2HG GLU 65 -12.241 0.853 -8.797 522 HG3 GLU 65 3HG GLU 65 -12.352 1.523 -7.170 523 H PHE 66 H PHE 66 -10.230 -2.900 -5.964 524 HA PHE 66 HA PHE 66 -7.556 -2.798 -5.142 525 HB2 PHE 66 2HB PHE 66 -9.299 -5.196 -5.826 526 HB3 PHE 66 3HB PHE 66 -7.708 -5.337 -5.084 527 HD1 PHE 66 HD2 PHE 66 -11.180 -4.058 -4.520 528 HD2 PHE 66 HD1 PHE 66 -7.413 -4.990 -2.722 529 HE1 PHE 66 HE2 PHE 66 -12.180 -3.818 -2.280 530 HE2 PHE 66 HE1 PHE 66 -8.421 -4.750 -0.490 531 HZ PHE 66 HZ PHE 66 -10.803 -4.165 -0.264 532 H GLN 67 H GLN 67 -8.935 -3.520 -8.257 533 HA GLN 67 HA GLN 67 -6.898 -4.705 -9.705 534 HB2 GLN 67 2HB GLN 67 -8.794 -2.480 -10.594 535 HB3 GLN 67 3HB GLN 67 -7.836 -3.469 -11.694 536 HG2 GLN 67 2HG GLN 67 -10.021 -4.483 -9.849 537 HG3 GLN 67 3HG GLN 67 -10.171 -4.220 -11.586 538 HE21 GLN 67 1HE2 GLN 67 -8.829 -6.270 -9.108 539 HE22 GLN 67 2HE2 GLN 67 -8.370 -7.573 -10.139 540 H LEU 68 H LEU 68 -7.316 -1.294 -8.834 541 HA LEU 68 HA LEU 68 -5.027 -0.344 -10.324 542 HB2 LEU 68 2HB LEU 68 -6.671 1.091 -8.205 543 HB3 LEU 68 3HB LEU 68 -5.556 1.839 -9.340 544 HG LEU 68 HG LEU 68 -8.257 0.585 -9.945 545 HD11 LEU 68 1HD1 LEU 68 -8.830 2.810 -10.824 546 HD12 LEU 68 2HD1 LEU 68 -7.229 3.407 -10.376 547 HD13 LEU 68 3HD1 LEU 68 -8.357 2.881 -9.127 548 HD21 LEU 68 3HD2 LEU 68 -7.859 1.093 -12.336 549 HD22 LEU 68 1HD2 LEU 68 -6.789 -0.163 -11.715 550 HD23 LEU 68 2HD2 LEU 68 -6.177 1.474 -11.962 551 H ALA 69 H ALA 69 -5.789 -1.181 -6.988 552 HA ALA 69 HA ALA 69 -3.431 -0.287 -5.719 553 HB1 ALA 69 3HB ALA 69 -4.072 -1.791 -3.867 554 HB2 ALA 69 1HB ALA 69 -5.246 -2.590 -4.916 555 HB3 ALA 69 2HB ALA 69 -5.463 -0.893 -4.477 556 H LEU 70 H LEU 70 -4.177 -3.298 -7.413 557 HA LEU 70 HA LEU 70 -1.852 -4.795 -6.739 558 HB2 LEU 70 2HB LEU 70 -3.665 -4.988 -9.180 559 HB3 LEU 70 3HB LEU 70 -2.471 -6.194 -8.730 560 HG LEU 70 HG LEU 70 -4.847 -5.475 -6.975 561 HD11 LEU 70 1HD1 LEU 70 -5.705 -6.346 -9.073 562 HD12 LEU 70 2HD1 LEU 70 -5.940 -7.523 -7.786 563 HD13 LEU 70 3HD1 LEU 70 -4.644 -7.753 -8.960 564 HD21 LEU 70 3HD2 LEU 70 -3.011 -6.492 -5.735 565 HD22 LEU 70 1HD2 LEU 70 -2.963 -7.848 -6.864 566 HD23 LEU 70 2HD2 LEU 70 -4.376 -7.600 -5.834 567 H LYS 71 H LYS 71 -2.705 -3.067 -9.762 568 HA LYS 71 HA LYS 71 -0.206 -3.492 -11.044 569 HB2 LYS 71 2HB LYS 71 -1.020 -1.981 -12.798 570 HB3 LYS 71 3HB LYS 71 -2.280 -3.108 -12.318 571 HG2 LYS 71 2HG LYS 71 -3.388 -1.366 -11.000 572 HG3 LYS 71 3HG LYS 71 -2.101 -0.224 -11.389 573 HD2 LYS 71 2HD LYS 71 -3.987 -1.505 -13.405 574 HD3 LYS 71 3HD LYS 71 -4.140 0.133 -12.767 575 HE2 LYS 71 2HE LYS 71 -2.009 0.763 -13.805 576 HE3 LYS 71 3HE LYS 71 -1.773 -0.890 -14.380 577 HZ1 LYS 71 3HZ LYS 71 -3.952 0.950 -15.191 578 HZ2 LYS 71 1HZ LYS 71 -3.790 -0.646 -15.712 579 HZ3 LYS 71 2HZ LYS 71 -2.627 0.501 -16.132 580 H ASP 72 H ASP 72 -1.441 -0.855 -9.055 581 HA ASP 72 HA ASP 72 0.645 1.020 -9.411 582 HB2 ASP 72 2HB ASP 72 -1.457 1.623 -8.282 583 HB3 ASP 72 3HB ASP 72 -1.112 0.506 -6.965 584 H CYS 73 H CYS 73 0.223 -1.653 -7.062 585 HA CYS 73 HA CYS 73 2.692 -1.366 -5.724 586 HB2 CYS 73 2HB CYS 73 0.869 -2.734 -4.804 587 HB3 CYS 73 3HB CYS 73 1.032 -3.885 -6.126 588 HG CYS 73 HG CYS 73 3.974 -3.829 -4.922 589 H GLU 74 H GLU 74 1.850 -3.039 -8.739 590 HA GLU 74 HA GLU 74 4.311 -4.461 -9.051 591 HB2 GLU 74 2HB GLU 74 2.283 -3.694 -11.180 592 HB3 GLU 74 3HB GLU 74 3.565 -4.886 -11.376 593 HG2 GLU 74 2HG GLU 74 1.181 -5.073 -9.515 594 HG3 GLU 74 3HG GLU 74 1.448 -6.001 -10.985 595 H GLU 75 H GLU 75 3.386 -1.179 -10.030 596 HA GLU 75 HA GLU 75 5.886 -0.835 -11.542 597 HB2 GLU 75 2HB GLU 75 5.096 1.527 -11.884 598 HB3 GLU 75 3HB GLU 75 3.986 0.307 -12.487 599 HG2 GLU 75 2HG GLU 75 2.479 0.642 -10.632 600 HG3 GLU 75 3HG GLU 75 3.635 1.687 -9.809 601 H CYS 76 H CYS 76 4.510 0.107 -8.443 602 HA CYS 76 HA CYS 76 6.566 1.916 -7.653 603 HB2 CYS 76 2HB CYS 76 4.498 0.478 -5.957 604 HB3 CYS 76 3HB CYS 76 5.439 1.894 -5.469 605 HG CYS 76 HG CYS 76 2.561 2.012 -6.577 606 H ILE 77 H ILE 77 6.194 -1.535 -7.419 607 HA ILE 77 HA ILE 77 8.218 -2.073 -5.491 608 HB ILE 77 HB ILE 77 6.375 -3.652 -6.554 609 HG12 ILE 77 2HG1 ILE 77 8.042 -4.316 -4.730 610 HG13 ILE 77 3HG1 ILE 77 7.395 -5.627 -5.699 611 HG21 ILE 77 1HG2 ILE 77 8.644 -4.306 -8.454 612 HG22 ILE 77 2HG2 ILE 77 7.110 -3.547 -8.875 613 HG23 ILE 77 3HG2 ILE 77 7.135 -5.208 -8.287 614 HD11 ILE 77 3HD1 ILE 77 9.480 -5.777 -6.928 615 HD12 ILE 77 1HD1 ILE 77 9.753 -5.920 -5.194 616 HD13 ILE 77 2HD1 ILE 77 10.136 -4.411 -6.022 617 H GLN 78 H GLN 78 8.313 -1.119 -8.880 618 HA GLN 78 HA GLN 78 11.002 -2.048 -9.413 619 HB2 GLN 78 2HB GLN 78 9.393 0.014 -10.975 620 HB3 GLN 78 3HB GLN 78 10.792 -0.882 -11.554 621 HG2 GLN 78 2HG GLN 78 8.042 -2.003 -10.935 622 HG3 GLN 78 3HG GLN 78 8.755 -1.777 -12.530 623 HE21 GLN 78 1HE2 GLN 78 7.698 -4.207 -11.336 624 HE22 GLN 78 2HE2 GLN 78 8.988 -5.359 -11.323 625 H LEU 79 H LEU 79 9.527 0.858 -8.160 626 HA LEU 79 HA LEU 79 11.899 2.536 -8.292 627 HB2 LEU 79 2HB LEU 79 9.246 2.922 -6.841 628 HB3 LEU 79 3HB LEU 79 10.493 4.154 -7.006 629 HG LEU 79 HG LEU 79 8.929 2.921 -9.310 630 HD11 LEU 79 1HD1 LEU 79 8.664 5.669 -8.055 631 HD12 LEU 79 2HD1 LEU 79 7.493 4.354 -7.949 632 HD13 LEU 79 3HD1 LEU 79 7.825 5.111 -9.505 633 HD21 LEU 79 3HD2 LEU 79 11.175 3.561 -10.024 634 HD22 LEU 79 1HD2 LEU 79 10.974 5.168 -9.323 635 HD23 LEU 79 2HD2 LEU 79 9.992 4.673 -10.704 636 H GLU 80 H GLU 80 9.908 1.192 -5.688 637 HA GLU 80 HA GLU 80 12.276 0.867 -3.968 638 HB2 GLU 80 2HB GLU 80 10.942 2.800 -3.164 639 HB3 GLU 80 3HB GLU 80 9.506 1.788 -3.082 640 HG2 GLU 80 2HG GLU 80 10.601 2.213 -0.873 641 HG3 GLU 80 3HG GLU 80 10.397 0.505 -1.269 642 HA PRO 81 HA PRO 81 10.539 -3.306 -4.574 643 HB2 PRO 81 2HB PRO 81 13.075 -4.197 -3.268 644 HB3 PRO 81 3HB PRO 81 12.415 -4.604 -4.866 645 HG2 PRO 81 2HG PRO 81 14.548 -3.001 -4.602 646 HG3 PRO 81 3HG PRO 81 13.346 -2.755 -5.888 647 HD2 PRO 81 2HD PRO 81 13.640 -1.272 -3.279 648 HD3 PRO 81 3HD PRO 81 13.296 -0.639 -4.907 649 H THR 82 H THR 82 12.194 -2.267 -1.590 650 HA THR 82 HA THR 82 11.014 -4.473 -0.077 651 HB THR 82 HB THR 82 12.585 -3.763 1.733 652 HG1 THR 82 HG1 THR 82 12.617 -1.461 0.512 653 HG21 THR 82 3HG2 THR 82 13.883 -4.092 -1.001 654 HG22 THR 82 1HG2 THR 82 13.349 -5.400 0.058 655 HG23 THR 82 2HG2 THR 82 14.679 -4.351 0.556 656 H PHE 83 H PHE 83 9.509 -1.877 -0.931 657 HA PHE 83 HA PHE 83 8.744 -0.563 1.456 658 HB2 PHE 83 2HB PHE 83 6.880 0.410 0.183 659 HB3 PHE 83 3HB PHE 83 8.360 0.490 -0.748 660 HD1 PHE 83 HD2 PHE 83 7.748 -2.729 -1.421 661 HD2 PHE 83 HD1 PHE 83 5.769 1.007 -2.019 662 HE1 PHE 83 HE2 PHE 83 6.551 -3.673 -3.374 663 HE2 PHE 83 HE1 PHE 83 4.570 0.056 -3.940 664 HZ PHE 83 HZ PHE 83 4.962 -2.280 -4.624 665 H ILE 84 H ILE 84 8.335 -2.092 3.055 666 HA ILE 84 HA ILE 84 6.609 -4.275 3.043 667 HB ILE 84 HB ILE 84 7.311 -2.329 5.281 668 HG12 ILE 84 2HG1 ILE 84 8.346 -5.121 4.571 669 HG13 ILE 84 3HG1 ILE 84 9.226 -3.603 4.416 670 HG21 ILE 84 1HG2 ILE 84 6.455 -3.963 6.923 671 HG22 ILE 84 2HG2 ILE 84 5.842 -4.976 5.614 672 HG23 ILE 84 3HG2 ILE 84 5.161 -3.370 5.880 673 HD11 ILE 84 3HD1 ILE 84 10.004 -4.807 6.322 674 HD12 ILE 84 1HD1 ILE 84 8.371 -4.941 6.969 675 HD13 ILE 84 2HD1 ILE 84 9.155 -3.364 6.868 676 H LYS 85 H LYS 85 5.846 -0.931 2.977 677 HA LYS 85 HA LYS 85 3.161 -1.099 4.055 678 HB2 LYS 85 2HB LYS 85 4.850 1.113 2.853 679 HB3 LYS 85 3HB LYS 85 3.124 1.357 3.073 680 HG2 LYS 85 2HG LYS 85 4.473 2.294 4.929 681 HG3 LYS 85 3HG LYS 85 3.311 1.086 5.475 682 HD2 LYS 85 2HD LYS 85 5.106 -0.585 5.677 683 HD3 LYS 85 3HD LYS 85 6.279 0.561 5.028 684 HE2 LYS 85 2HE LYS 85 6.454 0.371 7.481 685 HE3 LYS 85 3HE LYS 85 5.985 1.999 6.997 686 HZ1 LYS 85 3HZ LYS 85 3.723 1.509 7.581 687 HZ2 LYS 85 1HZ LYS 85 4.728 1.168 8.895 688 HZ3 LYS 85 2HZ LYS 85 4.116 -0.089 7.948 689 H GLY 86 H GLY 86 4.695 -1.105 0.888 690 HA2 GLY 86 2HA GLY 86 2.281 -1.116 -0.679 691 HA3 GLY 86 3HA GLY 86 3.890 -1.577 -1.225 692 H TYR 87 H TYR 87 4.435 -3.540 0.705 693 HA TYR 87 HA TYR 87 3.323 -5.840 -0.492 694 HB2 TYR 87 2HB TYR 87 5.033 -5.440 1.976 695 HB3 TYR 87 3HB TYR 87 4.466 -7.042 1.521 696 HD1 TYR 87 HD2 TYR 87 4.755 -7.214 -1.351 697 HD2 TYR 87 HD1 TYR 87 7.345 -5.293 1.460 698 HE1 TYR 87 HE2 TYR 87 6.646 -7.544 -2.872 699 HE2 TYR 87 HE1 TYR 87 9.230 -5.628 -0.077 700 HH TYR 87 HH TYR 87 8.844 -6.565 -3.317 701 H THR 88 H THR 88 2.595 -4.302 2.635 702 HA THR 88 HA THR 88 0.897 -6.320 3.671 703 HB THR 88 HB THR 88 0.833 -3.332 4.317 704 HG1 THR 88 HG1 THR 88 2.839 -4.951 4.663 705 HG21 THR 88 3HG2 THR 88 -0.058 -4.040 6.525 706 HG22 THR 88 1HG2 THR 88 -0.092 -5.718 5.972 707 HG23 THR 88 2HG2 THR 88 -1.140 -4.516 5.218 708 H ARG 89 H ARG 89 0.301 -3.433 1.704 709 HA ARG 89 HA ARG 89 -2.559 -3.664 1.582 710 HB2 ARG 89 2HB ARG 89 -0.487 -1.820 0.555 711 HB3 ARG 89 3HB ARG 89 -1.750 -2.090 -0.637 712 HG2 ARG 89 2HG ARG 89 -2.152 -0.105 0.794 713 HG3 ARG 89 3HG ARG 89 -3.456 -1.289 0.871 714 HD2 ARG 89 2HD ARG 89 -2.972 -0.390 3.092 715 HD3 ARG 89 3HD ARG 89 -2.584 -2.110 3.027 716 HE ARG 89 HE ARG 89 -0.298 -0.488 2.469 717 HH11 ARG 89 1HH1 ARG 89 -2.217 -1.723 5.163 718 HH12 ARG 89 2HH1 ARG 89 -0.903 -1.606 6.284 719 HH21 ARG 89 1HH2 ARG 89 1.389 -0.372 3.995 720 HH22 ARG 89 2HH2 ARG 89 1.117 -0.852 5.635 721 H LYS 90 H LYS 90 0.112 -4.769 -0.448 722 HA LYS 90 HA LYS 90 -1.339 -5.569 -2.728 723 HB2 LYS 90 2HB LYS 90 1.109 -5.285 -2.776 724 HB3 LYS 90 3HB LYS 90 1.320 -6.623 -1.653 725 HG2 LYS 90 2HG LYS 90 1.841 -7.309 -3.956 726 HG3 LYS 90 3HG LYS 90 0.447 -8.195 -3.327 727 HD2 LYS 90 2HD LYS 90 -1.053 -6.552 -4.535 728 HD3 LYS 90 3HD LYS 90 0.390 -5.853 -5.275 729 HE2 LYS 90 2HE LYS 90 -0.555 -8.723 -5.577 730 HE3 LYS 90 3HE LYS 90 -0.718 -7.445 -6.784 731 HZ1 LYS 90 3HZ LYS 90 1.142 -8.767 -7.332 732 HZ2 LYS 90 1HZ LYS 90 1.784 -8.645 -5.779 733 HZ3 LYS 90 2HZ LYS 90 1.727 -7.286 -6.776 734 H ALA 91 H ALA 91 -0.255 -7.378 0.125 735 HA ALA 91 HA ALA 91 -1.326 -9.905 -0.651 736 HB1 ALA 91 3HB ALA 91 -0.690 -10.601 1.623 737 HB2 ALA 91 1HB ALA 91 -0.385 -8.918 2.055 738 HB3 ALA 91 2HB ALA 91 0.606 -9.706 0.829 739 H ALA 92 H ALA 92 -2.526 -7.200 1.311 740 HA ALA 92 HA ALA 92 -4.904 -8.400 2.332 741 HB1 ALA 92 3HB ALA 92 -3.993 -6.288 3.218 742 HB2 ALA 92 1HB ALA 92 -5.673 -6.089 2.717 743 HB3 ALA 92 2HB ALA 92 -4.365 -5.475 1.698 744 H ALA 93 H ALA 93 -4.109 -6.814 -0.722 745 HA ALA 93 HA ALA 93 -6.736 -6.836 -1.865 746 HB1 ALA 93 3HB ALA 93 -4.027 -6.702 -3.249 747 HB2 ALA 93 1HB ALA 93 -4.980 -5.323 -2.693 748 HB3 ALA 93 2HB ALA 93 -5.588 -6.343 -3.995 749 H LEU 94 H LEU 94 -3.901 -9.009 -2.108 750 HA LEU 94 HA LEU 94 -4.906 -10.935 -3.874 751 HB2 LEU 94 2HB LEU 94 -2.890 -11.220 -1.618 752 HB3 LEU 94 3HB LEU 94 -3.210 -12.493 -2.788 753 HG LEU 94 HG LEU 94 -2.110 -9.736 -3.472 754 HD11 LEU 94 1HD1 LEU 94 -0.472 -11.058 -2.211 755 HD12 LEU 94 2HD1 LEU 94 0.039 -10.846 -3.883 756 HD13 LEU 94 3HD1 LEU 94 -0.638 -12.391 -3.358 757 HD21 LEU 94 3HD2 LEU 94 -2.521 -12.164 -5.251 758 HD22 LEU 94 1HD2 LEU 94 -1.715 -10.664 -5.727 759 HD23 LEU 94 2HD2 LEU 94 -3.426 -10.650 -5.316 760 H GLU 95 H GLU 95 -5.247 -10.637 -0.374 761 HA GLU 95 HA GLU 95 -6.578 -12.992 0.279 762 HB2 GLU 95 2HB GLU 95 -5.808 -11.345 1.940 763 HB3 GLU 95 3HB GLU 95 -6.996 -10.173 1.367 764 HG2 GLU 95 2HG GLU 95 -8.806 -11.799 2.052 765 HG3 GLU 95 3HG GLU 95 -7.548 -12.800 2.782 766 H ALA 96 H ALA 96 -7.836 -9.981 -1.144 767 HA ALA 96 HA ALA 96 -10.626 -10.798 -1.122 768 HB1 ALA 96 3HB ALA 96 -10.027 -8.416 -0.898 769 HB2 ALA 96 1HB ALA 96 -11.016 -8.676 -2.338 770 HB3 ALA 96 2HB ALA 96 -9.273 -8.438 -2.492 771 H MET 97 H MET 97 -7.893 -11.398 -3.116 772 HA MET 97 HA MET 97 -9.486 -12.062 -5.517 773 HB2 MET 97 2HB MET 97 -6.457 -12.026 -5.131 774 HB3 MET 97 3HB MET 97 -7.301 -12.294 -6.656 775 HG2 MET 97 2HG MET 97 -7.290 -9.746 -5.027 776 HG3 MET 97 3HG MET 97 -6.461 -10.016 -6.563 777 HE1 MET 97 3HE MET 97 -9.463 -7.498 -7.341 778 HE2 MET 97 1HE MET 97 -7.718 -7.709 -7.453 779 HE3 MET 97 2HE MET 97 -8.490 -7.587 -5.872 780 H LYS 98 H LYS 98 -8.641 -13.466 -2.680 781 HA LYS 98 HA LYS 98 -8.806 -15.531 -1.812 782 HB2 LYS 98 2HB LYS 98 -9.547 -16.436 -4.626 783 HB3 LYS 98 3HB LYS 98 -9.715 -17.419 -3.176 784 HG2 LYS 98 2HG LYS 98 -11.158 -14.792 -3.652 785 HG3 LYS 98 3HG LYS 98 -11.855 -16.380 -3.960 786 HD2 LYS 98 2HD LYS 98 -10.889 -15.431 -1.230 787 HD3 LYS 98 3HD LYS 98 -12.567 -15.347 -1.774 788 HE2 LYS 98 2HE LYS 98 -10.938 -17.899 -1.482 789 HE3 LYS 98 3HE LYS 98 -12.167 -17.333 -0.351 790 HZ1 LYS 98 3HZ LYS 98 -13.775 -17.443 -2.224 791 HZ2 LYS 98 1HZ LYS 98 -13.150 -18.950 -1.759 792 HZ3 LYS 98 2HZ LYS 98 -12.580 -18.194 -3.163 793 H ASP 99 H ASP 99 -6.318 -14.502 -3.299 794 HA ASP 99 HA ASP 99 -4.789 -16.989 -3.652 795 HB2 ASP 99 2HB ASP 99 -4.030 -14.049 -4.065 796 HB3 ASP 99 3HB ASP 99 -2.940 -15.403 -4.350 797 H TYR 100 H TYR 100 -5.591 -16.900 -1.086 798 HA TYR 100 HA TYR 100 -4.085 -15.609 0.846 799 HB2 TYR 100 2HB TYR 100 -5.066 -18.490 1.025 800 HB3 TYR 100 3HB TYR 100 -4.732 -17.415 2.383 801 HD1 TYR 100 HD1 TYR 100 -6.005 -14.914 1.660 802 HD2 TYR 100 HD2 TYR 100 -7.424 -18.884 1.002 803 HE1 TYR 100 HE1 TYR 100 -8.295 -14.105 1.576 804 HE2 TYR 100 HE2 TYR 100 -9.735 -18.049 0.942 805 HH TYR 100 HH TYR 100 -10.417 -14.673 0.751 806 H THR 101 H THR 101 -3.201 -18.366 -1.092 807 HA THR 101 HA THR 101 -0.838 -19.247 0.179 808 HB THR 101 HB THR 101 -0.257 -20.182 -2.086 809 HG1 THR 101 HG1 THR 101 -1.741 -19.761 -3.806 810 HG21 THR 101 3HG2 THR 101 -1.804 -21.463 -0.658 811 HG22 THR 101 1HG2 THR 101 -2.244 -21.635 -2.359 812 HG23 THR 101 2HG2 THR 101 -3.178 -20.568 -1.308 813 H LYS 102 H LYS 102 -1.442 -16.677 -2.223 814 HA LYS 102 HA LYS 102 1.399 -16.060 -2.546 815 HB2 LYS 102 2HB LYS 102 -1.068 -14.741 -3.747 816 HB3 LYS 102 3HB LYS 102 0.595 -14.371 -4.188 817 HG2 LYS 102 2HG LYS 102 -0.782 -17.044 -4.613 818 HG3 LYS 102 3HG LYS 102 -0.566 -15.801 -5.839 819 HD2 LYS 102 2HD LYS 102 1.225 -17.182 -6.376 820 HD3 LYS 102 3HD LYS 102 2.019 -16.104 -5.233 821 HE2 LYS 102 2HE LYS 102 1.681 -17.800 -3.437 822 HE3 LYS 102 3HE LYS 102 0.944 -18.884 -4.616 823 HZ1 LYS 102 3HZ LYS 102 3.725 -17.837 -4.782 824 HZ2 LYS 102 1HZ LYS 102 3.014 -18.965 -5.819 825 HZ3 LYS 102 2HZ LYS 102 3.304 -19.366 -4.205 826 H ALA 103 H ALA 103 -1.406 -14.858 -0.862 827 HA ALA 103 HA ALA 103 -0.494 -12.288 -0.156 828 HB1 ALA 103 3HB ALA 103 -2.859 -12.944 0.018 829 HB2 ALA 103 1HB ALA 103 -2.256 -12.345 1.564 830 HB3 ALA 103 2HB ALA 103 -2.474 -14.081 1.310 831 H MET 104 H MET 104 -0.501 -15.385 1.627 832 HA MET 104 HA MET 104 0.917 -14.504 3.903 833 HB2 MET 104 2HB MET 104 1.168 -16.827 4.512 834 HB3 MET 104 3HB MET 104 -0.432 -16.594 3.833 835 HG2 MET 104 2HG MET 104 0.291 -17.636 1.738 836 HG3 MET 104 3HG MET 104 1.926 -17.803 2.377 837 HE1 MET 104 3HE MET 104 -1.319 -18.336 4.565 838 HE2 MET 104 1HE MET 104 -1.663 -20.036 4.251 839 HE3 MET 104 2HE MET 104 -1.844 -18.848 2.959 840 H ASP 105 H ASP 105 2.030 -15.604 0.784 841 HA ASP 105 HA ASP 105 4.782 -16.008 1.310 842 HB2 ASP 105 2HB ASP 105 3.594 -16.671 -0.811 843 HB3 ASP 105 3HB ASP 105 3.471 -14.975 -1.252 844 H VAL 106 H VAL 106 2.848 -13.160 0.525 845 HA VAL 106 HA VAL 106 5.075 -11.359 0.159 846 HB VAL 106 HB VAL 106 2.067 -10.890 0.422 847 HG11 VAL 106 1HG1 VAL 106 2.450 -8.619 -0.446 848 HG12 VAL 106 2HG1 VAL 106 4.197 -8.878 -0.381 849 HG13 VAL 106 3HG1 VAL 106 3.250 -8.857 1.107 850 HG21 VAL 106 3HG2 VAL 106 2.081 -10.587 -2.000 851 HG22 VAL 106 1HG2 VAL 106 2.788 -12.155 -1.602 852 HG23 VAL 106 2HG2 VAL 106 3.833 -10.807 -2.058 853 H TYR 107 H TYR 107 2.775 -12.143 2.737 854 HA TYR 107 HA TYR 107 3.538 -10.205 4.650 855 HB2 TYR 107 2HB TYR 107 2.311 -12.972 5.001 856 HB3 TYR 107 3HB TYR 107 2.531 -11.840 6.332 857 HD1 TYR 107 HD1 TYR 107 1.711 -9.268 5.179 858 HD2 TYR 107 HD2 TYR 107 -0.043 -13.115 4.663 859 HE1 TYR 107 HE1 TYR 107 -0.464 -8.210 4.796 860 HE2 TYR 107 HE2 TYR 107 -2.214 -12.053 4.262 861 HH TYR 107 HH TYR 107 -2.588 -8.772 3.628 862 H GLN 108 H GLN 108 4.716 -13.476 3.980 863 HA GLN 108 HA GLN 108 6.458 -13.806 6.177 864 HB2 GLN 108 2HB GLN 108 5.583 -15.560 4.433 865 HB3 GLN 108 3HB GLN 108 6.925 -15.046 3.429 866 HG2 GLN 108 2HG GLN 108 7.326 -16.116 6.236 867 HG3 GLN 108 3HG GLN 108 7.233 -17.173 4.832 868 HE21 GLN 108 1HE2 GLN 108 9.112 -14.716 6.435 869 HE22 GLN 108 2HE2 GLN 108 10.582 -14.992 5.576 870 H LYS 109 H LYS 109 7.021 -12.658 2.852 871 HA LYS 109 HA LYS 109 9.819 -12.211 3.121 872 HB2 LYS 109 2HB LYS 109 7.860 -11.118 1.054 873 HB3 LYS 109 3HB LYS 109 9.615 -11.019 0.926 874 HG2 LYS 109 2HG LYS 109 7.957 -13.559 0.953 875 HG3 LYS 109 3HG LYS 109 8.734 -12.842 -0.456 876 HD2 LYS 109 2HD LYS 109 10.192 -13.940 1.983 877 HD3 LYS 109 3HD LYS 109 9.972 -14.802 0.462 878 HE2 LYS 109 2HE LYS 109 11.257 -13.039 -0.711 879 HE3 LYS 109 3HE LYS 109 11.499 -12.207 0.827 880 HZ1 LYS 109 3HZ LYS 109 12.480 -14.917 0.126 881 HZ2 LYS 109 1HZ LYS 109 12.664 -14.187 1.640 882 HZ3 LYS 109 2HZ LYS 109 13.419 -13.523 0.282 883 H ALA 110 H ALA 110 6.978 -10.115 3.523 884 HA ALA 110 HA ALA 110 8.384 -7.654 3.851 885 HB1 ALA 110 3HB ALA 110 6.275 -6.789 4.790 886 HB2 ALA 110 1HB ALA 110 5.644 -8.433 4.917 887 HB3 ALA 110 2HB ALA 110 5.976 -7.734 3.331 888 H LEU 111 H LEU 111 7.226 -10.097 6.204 889 HA LEU 111 HA LEU 111 8.152 -8.913 8.592 890 HB2 LEU 111 2HB LEU 111 7.741 -11.825 7.840 891 HB3 LEU 111 3HB LEU 111 8.241 -11.347 9.454 892 HG LEU 111 HG LEU 111 5.630 -10.491 8.143 893 HD11 LEU 111 1HD1 LEU 111 4.510 -12.088 9.618 894 HD12 LEU 111 2HD1 LEU 111 6.063 -12.619 10.270 895 HD13 LEU 111 3HD1 LEU 111 5.667 -12.921 8.577 896 HD21 LEU 111 3HD2 LEU 111 6.501 -8.885 9.825 897 HD22 LEU 111 1HD2 LEU 111 6.533 -10.172 11.032 898 HD23 LEU 111 2HD2 LEU 111 5.002 -9.643 10.330 899 H ASP 112 H ASP 112 9.753 -10.958 6.231 900 HA ASP 112 HA ASP 112 12.191 -11.447 7.542 901 HB2 ASP 112 2HB ASP 112 11.595 -12.750 5.603 902 HB3 ASP 112 3HB ASP 112 11.462 -11.317 4.586 903 H LEU 113 H LEU 113 11.109 -8.741 5.541 904 HA LEU 113 HA LEU 113 13.593 -7.414 5.282 905 HB2 LEU 113 2HB LEU 113 10.795 -6.222 5.151 906 HB3 LEU 113 3HB LEU 113 12.263 -5.446 4.576 907 HG LEU 113 HG LEU 113 11.030 -7.974 3.428 908 HD11 LEU 113 1HD1 LEU 113 11.085 -5.178 2.280 909 HD12 LEU 113 2HD1 LEU 113 9.676 -6.040 2.899 910 HD13 LEU 113 3HD1 LEU 113 10.491 -6.621 1.451 911 HD21 LEU 113 3HD2 LEU 113 12.701 -7.801 1.620 912 HD22 LEU 113 1HD2 LEU 113 13.443 -8.084 3.192 913 HD23 LEU 113 2HD2 LEU 113 13.485 -6.470 2.476 914 H ASP 114 H ASP 114 10.791 -6.489 7.386 915 HA ASP 114 HA ASP 114 12.628 -5.689 9.536 916 HB2 ASP 114 2HB ASP 114 10.547 -3.735 8.439 917 HB3 ASP 114 3HB ASP 114 11.551 -3.471 9.854 918 H SER 115 H SER 115 11.686 -5.616 11.568 919 HA SER 115 HA SER 115 9.372 -7.129 12.174 920 HB2 SER 115 2HB SER 115 10.825 -5.086 13.927 921 HB3 SER 115 3HB SER 115 9.729 -6.352 14.490 922 HG SER 115 HG SER 115 11.573 -7.555 13.026 923 H SER 116 H SER 116 9.796 -3.817 11.282 924 HA SER 116 HA SER 116 7.508 -2.534 12.232 925 HB2 SER 116 2HB SER 116 9.422 -1.428 11.063 926 HB3 SER 116 3HB SER 116 8.895 -2.133 9.536 927 HG SER 116 HG SER 116 8.220 0.121 10.095 928 H CYS 117 H CYS 117 7.747 -5.124 9.983 929 HA CYS 117 HA CYS 117 5.228 -4.830 8.640 930 HB2 CYS 117 2HB CYS 117 7.133 -6.058 7.682 931 HB3 CYS 117 3HB CYS 117 7.072 -7.219 9.005 932 HG CYS 117 HG CYS 117 4.624 -8.314 8.240 933 H LYS 118 H LYS 118 5.585 -5.287 11.924 934 HA LYS 118 HA LYS 118 4.052 -7.454 12.652 935 HB2 LYS 118 2HB LYS 118 4.126 -4.690 13.908 936 HB3 LYS 118 3HB LYS 118 3.190 -5.999 14.620 937 HG2 LYS 118 2HG LYS 118 6.193 -5.891 14.246 938 HG3 LYS 118 3HG LYS 118 5.307 -5.836 15.766 939 HD2 LYS 118 2HD LYS 118 5.354 -8.224 13.872 940 HD3 LYS 118 3HD LYS 118 6.367 -8.064 15.301 941 HE2 LYS 118 2HE LYS 118 4.333 -7.993 16.727 942 HE3 LYS 118 3HE LYS 118 3.328 -8.164 15.285 943 HZ1 LYS 118 3HZ LYS 118 3.631 -10.281 16.390 944 HZ2 LYS 118 1HZ LYS 118 5.313 -10.153 16.256 945 HZ3 LYS 118 2HZ LYS 118 4.361 -10.315 14.869 946 H GLU 119 H GLU 119 2.777 -4.386 11.404 947 HA GLU 119 HA GLU 119 0.023 -4.735 11.706 948 HB2 GLU 119 2HB GLU 119 -0.199 -3.254 9.696 949 HB3 GLU 119 3HB GLU 119 0.988 -2.660 10.847 950 HG2 GLU 119 2HG GLU 119 2.816 -3.559 9.424 951 HG3 GLU 119 3HG GLU 119 1.616 -4.124 8.260 952 H ALA 120 H ALA 120 2.216 -6.132 9.341 953 HA ALA 120 HA ALA 120 0.129 -7.444 7.769 954 HB1 ALA 120 3HB ALA 120 3.145 -7.431 7.472 955 HB2 ALA 120 1HB ALA 120 2.027 -6.345 6.655 956 HB3 ALA 120 2HB ALA 120 1.994 -8.065 6.305 957 H ALA 121 H ALA 121 2.134 -8.122 10.498 958 HA ALA 121 HA ALA 121 2.389 -10.982 10.175 959 HB1 ALA 121 3HB ALA 121 3.071 -11.005 12.529 960 HB2 ALA 121 1HB ALA 121 2.504 -9.347 12.749 961 HB3 ALA 121 2HB ALA 121 3.878 -9.678 11.701 962 H ASP 122 H ASP 122 0.274 -8.773 11.934 963 HA ASP 122 HA ASP 122 -1.631 -10.597 12.926 964 HB2 ASP 122 2HB ASP 122 -1.337 -8.177 13.622 965 HB3 ASP 122 3HB ASP 122 -2.062 -7.683 12.095 966 H GLY 123 H GLY 123 -1.454 -8.727 9.899 967 HA2 GLY 123 2HA GLY 123 -3.850 -9.503 8.664 968 HA3 GLY 123 3HA GLY 123 -2.398 -8.991 7.815 969 H TYR 124 H TYR 124 -0.721 -11.170 8.799 970 HA TYR 124 HA TYR 124 -1.185 -13.202 6.924 971 HB2 TYR 124 2HB TYR 124 1.046 -12.957 7.773 972 HB3 TYR 124 3HB TYR 124 0.525 -13.179 9.440 973 HD1 TYR 124 HD1 TYR 124 0.138 -15.145 6.217 974 HD2 TYR 124 HD2 TYR 124 1.258 -15.243 10.344 975 HE1 TYR 124 HE1 TYR 124 0.534 -17.556 6.073 976 HE2 TYR 124 HE2 TYR 124 1.651 -17.666 10.177 977 HH TYR 124 HH TYR 124 0.711 -19.560 8.635 978 H GLN 125 H GLN 125 -1.726 -13.323 10.490 979 HA GLN 125 HA GLN 125 -2.877 -15.813 10.801 980 HB2 GLN 125 2HB GLN 125 -3.218 -13.193 12.247 981 HB3 GLN 125 3HB GLN 125 -4.340 -14.478 12.662 982 HG2 GLN 125 2HG GLN 125 -2.404 -14.331 14.193 983 HG3 GLN 125 3HG GLN 125 -2.547 -15.902 13.414 984 HE21 GLN 125 1HE2 GLN 125 -0.713 -12.923 13.513 985 HE22 GLN 125 2HE2 GLN 125 0.685 -13.524 12.703 986 H ARG 126 H ARG 126 -4.411 -12.889 9.647 987 HA ARG 126 HA ARG 126 -7.110 -13.819 9.574 988 HB2 ARG 126 2HB ARG 126 -6.586 -11.470 9.758 989 HB3 ARG 126 3HB ARG 126 -5.651 -11.487 8.267 990 HG2 ARG 126 2HG ARG 126 -7.704 -11.846 6.977 991 HG3 ARG 126 3HG ARG 126 -8.651 -11.885 8.466 992 HD2 ARG 126 2HD ARG 126 -8.366 -9.574 8.848 993 HD3 ARG 126 3HD ARG 126 -6.944 -9.486 7.805 994 HE ARG 126 HE ARG 126 -8.485 -9.867 5.911 995 HH11 ARG 126 1HH1 ARG 126 -9.811 -8.424 8.830 996 HH12 ARG 126 2HH1 ARG 126 -11.085 -7.611 7.979 997 HH21 ARG 126 1HH2 ARG 126 -10.093 -8.771 4.818 998 HH22 ARG 126 2HH2 ARG 126 -11.247 -7.807 5.688 999 H CYS 127 H CYS 127 -4.448 -13.841 7.176 1000 HA CYS 127 HA CYS 127 -6.203 -14.532 4.949 1001 HB2 CYS 127 2HB CYS 127 -3.186 -14.245 5.127 1002 HB3 CYS 127 3HB CYS 127 -4.046 -14.653 3.640 1003 HG CYS 127 HG CYS 127 -5.088 -11.891 5.263 1004 H MET 128 H MET 128 -3.769 -16.218 6.945 1005 HA MET 128 HA MET 128 -3.851 -18.675 5.518 1006 HB2 MET 128 2HB MET 128 -2.716 -19.695 7.482 1007 HB3 MET 128 3HB MET 128 -1.932 -18.219 6.949 1008 HG2 MET 128 2HG MET 128 -2.723 -17.003 8.837 1009 HG3 MET 128 3HG MET 128 -3.861 -18.273 9.276 1010 HE1 MET 128 3HE MET 128 -3.214 -20.547 10.383 1011 HE2 MET 128 1HE MET 128 -1.558 -21.077 10.678 1012 HE3 MET 128 2HE MET 128 -2.158 -20.947 9.025 1013 H MET 129 H MET 129 -5.580 -17.529 8.430 1014 HA MET 129 HA MET 129 -6.969 -19.943 8.950 1015 HB2 MET 129 2HB MET 129 -8.240 -18.779 10.574 1016 HB3 MET 129 3HB MET 129 -6.714 -17.911 10.555 1017 HG2 MET 129 2HG MET 129 -7.695 -16.106 9.284 1018 HG3 MET 129 3HG MET 129 -9.186 -17.018 9.061 1019 HE1 MET 129 3HE MET 129 -9.531 -14.147 9.946 1020 HE2 MET 129 1HE MET 129 -10.609 -14.301 11.338 1021 HE3 MET 129 2HE MET 129 -10.859 -15.313 9.913 1022 H ALA 130 H ALA 130 -7.546 -17.354 6.680 1023 HA ALA 130 HA ALA 130 -10.316 -17.502 6.332 1024 HB1 ALA 130 3HB ALA 130 -8.234 -16.688 4.282 1025 HB2 ALA 130 1HB ALA 130 -8.950 -15.637 5.509 1026 HB3 ALA 130 2HB ALA 130 -9.957 -16.306 4.225 1027 H GLN 131 H GLN 131 -7.724 -19.287 4.683 1028 HA GLN 131 HA GLN 131 -9.629 -20.884 3.137 1029 HB2 GLN 131 2HB GLN 131 -7.571 -22.088 2.297 1030 HB3 GLN 131 3HB GLN 131 -7.655 -20.378 1.914 1031 HG2 GLN 131 2HG GLN 131 -6.033 -19.852 3.629 1032 HG3 GLN 131 3HG GLN 131 -6.023 -21.529 4.179 1033 HE21 GLN 131 1HE2 GLN 131 -3.771 -20.007 3.296 1034 HE22 GLN 131 2HE2 GLN 131 -3.103 -20.846 1.943 1035 H TYR 132 H TYR 132 -7.873 -21.150 6.154 1036 HA TYR 132 HA TYR 132 -8.532 -24.039 6.378 1037 HB2 TYR 132 2HB TYR 132 -6.799 -22.407 8.289 1038 HB3 TYR 132 3HB TYR 132 -6.918 -24.162 8.203 1039 HD1 TYR 132 HD1 TYR 132 -6.655 -24.278 5.064 1040 HD2 TYR 132 HD2 TYR 132 -4.403 -22.277 8.102 1041 HE1 TYR 132 HE1 TYR 132 -4.680 -24.246 3.602 1042 HE2 TYR 132 HE2 TYR 132 -2.439 -22.272 6.643 1043 HH TYR 132 HH TYR 132 -2.592 -22.940 3.350 1044 H ASN 133 H ASN 133 -10.694 -22.256 6.477 1045 HA ASN 133 HA ASN 133 -11.339 -21.844 9.335 1046 HB2 ASN 133 2HB ASN 133 -11.453 -19.998 7.261 1047 HB3 ASN 133 3HB ASN 133 -13.108 -20.575 7.262 1048 HD21 ASN 133 1HD2 ASN 133 -10.681 -18.877 9.033 1049 HD22 ASN 133 2HD2 ASN 133 -11.711 -18.241 10.259
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