NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18219 | 2djm | 7083 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -8.370 19.665 10.696 2 2H ALA 1 2H ALA 1 -10.027 19.412 10.938 3 3H ALA 1 3H ALA 1 -9.271 18.802 9.548 4 HA ALA 1 HA ALA 1 -8.849 17.935 12.349 5 1HB ALA 1 1HB ALA 1 -9.839 15.883 11.717 6 2HB ALA 1 2HB ALA 1 -9.798 16.308 10.009 7 3HB ALA 1 3HB ALA 1 -10.902 17.149 11.097 8 H SER 2 H SER 2 -7.435 16.012 12.503 9 HA SER 2 HA SER 2 -5.149 16.302 10.681 10 1HB SER 2 2HB SER 2 -5.275 15.062 13.440 11 2HB SER 2 1HB SER 2 -3.820 15.249 12.462 12 HG SER 2 HG SER 2 -5.240 17.130 13.931 13 H ILE 3 H ILE 3 -5.085 14.883 9.122 14 HA ILE 3 HA ILE 3 -6.542 12.416 9.239 15 HB ILE 3 HB ILE 3 -4.736 13.522 7.088 16 1HG1 ILE 3 2HG1 ILE 3 -6.759 14.854 7.487 17 2HG1 ILE 3 1HG1 ILE 3 -6.837 14.039 5.927 18 1HG2 ILE 3 1HG2 ILE 3 -4.830 11.101 6.947 19 2HG2 ILE 3 2HG2 ILE 3 -5.733 11.836 5.624 20 3HG2 ILE 3 3HG2 ILE 3 -6.593 11.148 7.001 21 1HD1 ILE 3 1HD1 ILE 3 -8.977 13.963 7.088 22 2HD1 ILE 3 2HD1 ILE 3 -8.217 13.143 8.451 23 3HD1 ILE 3 3HD1 ILE 3 -8.306 12.346 6.882 24 HA PRO 4 HA PRO 4 -1.949 10.583 8.721 25 1HB PRO 4 2HB PRO 4 -0.657 12.655 10.432 26 2HB PRO 4 1HB PRO 4 0.011 11.730 9.080 27 1HG PRO 4 2HG PRO 4 -0.701 14.272 8.756 28 2HG PRO 4 1HG PRO 4 -1.013 13.073 7.486 29 1HD PRO 4 2HD PRO 4 -2.904 14.329 9.417 30 2HD PRO 4 1HD PRO 4 -3.175 13.820 7.738 31 H SER 5 H SER 5 -1.595 8.954 10.104 32 HA SER 5 HA SER 5 -1.822 9.318 12.960 33 1HB SER 5 2HB SER 5 -4.186 9.038 12.078 34 2HB SER 5 1HB SER 5 -3.729 7.403 11.603 35 HG SER 5 HG SER 5 -4.267 6.901 13.568 36 H SER 6 H SER 6 -2.086 6.601 10.626 37 HA SER 6 HA SER 6 -0.323 4.953 12.113 38 1HB SER 6 2HB SER 6 -1.081 4.734 9.188 39 2HB SER 6 1HB SER 6 -0.431 3.444 10.204 40 HG SER 6 HG SER 6 -2.737 3.374 9.955 41 H ALA 7 H ALA 7 0.140 6.366 8.878 42 HA ALA 7 HA ALA 7 2.785 7.292 9.599 43 1HB ALA 7 1HB ALA 7 3.668 6.210 7.481 44 2HB ALA 7 2HB ALA 7 2.218 5.217 7.489 45 3HB ALA 7 3HB ALA 7 3.362 5.127 8.829 46 H SER 8 H SER 8 3.537 7.892 6.907 47 HA SER 8 HA SER 8 2.006 10.178 6.288 48 1HB SER 8 2HB SER 8 3.826 8.609 4.439 49 2HB SER 8 1HB SER 8 3.359 10.299 4.263 50 HG SER 8 HG SER 8 4.758 10.853 5.771 51 H VAL 9 H VAL 9 1.733 6.843 5.538 52 HA VAL 9 HA VAL 9 -0.552 7.368 3.805 53 HB VAL 9 HB VAL 9 1.101 6.655 2.291 54 1HG1 VAL 9 1HG1 VAL 9 2.494 4.657 2.722 55 2HG1 VAL 9 2HG1 VAL 9 1.909 4.660 4.385 56 3HG1 VAL 9 3HG1 VAL 9 2.839 6.027 3.768 57 1HG2 VAL 9 1HG2 VAL 9 0.395 4.540 1.492 58 2HG2 VAL 9 2HG2 VAL 9 -1.009 5.331 2.207 59 3HG2 VAL 9 3HG2 VAL 9 -0.176 4.055 3.088 60 H GLN 10 H GLN 10 -2.174 5.781 3.853 61 HA GLN 10 HA GLN 10 -1.997 3.630 5.822 62 1HB GLN 10 2HB GLN 10 -3.085 5.628 6.935 63 2HB GLN 10 1HB GLN 10 -4.364 5.519 5.731 64 1HG GLN 10 2HG GLN 10 -4.778 3.175 6.513 65 2HG GLN 10 1HG GLN 10 -3.653 3.490 7.833 66 1HE2 GLN 10 1HE2 GLN 10 -5.858 5.862 6.516 67 2HE2 GLN 10 2HE2 GLN 10 -6.877 5.975 7.907 68 H LEU 11 H LEU 11 -3.058 1.803 5.110 69 HA LEU 11 HA LEU 11 -3.912 1.740 2.394 70 1HB LEU 11 2HB LEU 11 -2.876 -0.178 3.542 71 2HB LEU 11 1HB LEU 11 -4.302 -0.328 4.555 72 HG LEU 11 HG LEU 11 -5.642 -0.689 2.428 73 1HD1 LEU 11 1HD1 LEU 11 -4.455 -1.350 0.444 74 2HD1 LEU 11 2HD1 LEU 11 -2.901 -1.107 1.239 75 3HD1 LEU 11 3HD1 LEU 11 -3.946 0.274 0.909 76 1HD2 LEU 11 1HD2 LEU 11 -4.876 -3.043 2.219 77 2HD2 LEU 11 2HD2 LEU 11 -5.108 -2.525 3.886 78 3HD2 LEU 11 3HD2 LEU 11 -3.480 -2.642 3.217 79 H ASP 12 H ASP 12 -5.816 2.129 1.547 80 HA ASP 12 HA ASP 12 -8.092 2.830 3.133 81 1HB ASP 12 2HB ASP 12 -7.574 3.829 0.897 82 2HB ASP 12 1HB ASP 12 -7.946 2.286 0.158 83 H SER 13 H SER 13 -7.547 0.342 0.680 84 HA SER 13 HA SER 13 -8.642 -1.851 1.996 85 1HB SER 13 2HB SER 13 -10.903 -1.972 0.925 86 2HB SER 13 1HB SER 13 -10.763 -0.674 2.110 87 HG SER 13 HG SER 13 -10.660 0.815 0.490 88 H TYR 14 H TYR 14 -9.338 -3.561 0.538 89 HA TYR 14 HA TYR 14 -8.628 -3.442 -2.240 90 1HB TYR 14 2HB TYR 14 -6.854 -5.134 -2.086 91 2HB TYR 14 1HB TYR 14 -6.405 -3.685 -1.190 92 HD1 TYR 14 HD1 TYR 14 -7.528 -7.134 -0.898 93 HD2 TYR 14 HD2 TYR 14 -6.142 -3.739 1.192 94 HE1 TYR 14 HE1 TYR 14 -7.185 -8.532 1.071 95 HE2 TYR 14 HE2 TYR 14 -5.787 -5.105 3.202 96 HH TYR 14 HH TYR 14 -6.605 -7.212 4.171 97 H ASN 15 H ASN 15 -9.135 -5.543 -3.257 98 HA ASN 15 HA ASN 15 -10.994 -7.092 -1.587 99 1HB ASN 15 2HB ASN 15 -12.180 -5.537 -3.142 100 2HB ASN 15 1HB ASN 15 -11.411 -6.349 -4.496 101 1HD2 ASN 15 1HD2 ASN 15 -12.828 -7.710 -1.543 102 2HD2 ASN 15 2HD2 ASN 15 -14.017 -8.670 -2.367 103 H TYR 16 H TYR 16 -11.500 -9.214 -2.533 104 HA TYR 16 HA TYR 16 -9.465 -10.411 -4.200 105 1HB TYR 16 2HB TYR 16 -8.579 -10.351 -1.790 106 2HB TYR 16 1HB TYR 16 -9.871 -11.484 -1.418 107 HD1 TYR 16 HD1 TYR 16 -6.806 -11.036 -3.429 108 HD2 TYR 16 HD2 TYR 16 -9.663 -13.788 -1.899 109 HE1 TYR 16 HE1 TYR 16 -5.355 -12.897 -4.095 110 HE2 TYR 16 HE2 TYR 16 -8.227 -15.665 -2.577 111 HH TYR 16 HH TYR 16 -6.441 -16.131 -4.163 112 H ASP 17 H ASP 17 -10.090 -12.432 -4.956 113 HA ASP 17 HA ASP 17 -12.182 -14.012 -4.047 114 1HB ASP 17 2HB ASP 17 -13.552 -11.994 -4.779 115 2HB ASP 17 1HB ASP 17 -13.064 -12.370 -6.428 116 H GLY 18 H GLY 18 -11.914 -15.961 -4.959 117 1HA GLY 18 2HA GLY 18 -10.858 -17.572 -6.226 118 2HA GLY 18 1HA GLY 18 -11.035 -16.470 -7.592 119 H SER 19 H SER 19 -9.219 -15.652 -8.429 120 HA SER 19 HA SER 19 -7.060 -15.005 -6.552 121 1HB SER 19 2HB SER 19 -6.688 -16.018 -9.384 122 2HB SER 19 1HB SER 19 -5.402 -15.600 -8.251 123 HG SER 19 HG SER 19 -7.267 -17.743 -8.085 124 H THR 20 H THR 20 -8.018 -12.920 -6.486 125 HA THR 20 HA THR 20 -7.132 -11.241 -8.674 126 HB THR 20 HB THR 20 -9.988 -11.169 -7.675 127 HG1 THR 20 HG1 THR 20 -8.806 -12.490 -9.678 128 1HG2 THR 20 1HG2 THR 20 -8.441 -9.313 -9.478 129 2HG2 THR 20 2HG2 THR 20 -9.354 -8.912 -8.022 130 3HG2 THR 20 3HG2 THR 20 -10.203 -9.401 -9.490 131 H PHE 21 H PHE 21 -6.265 -9.378 -7.952 132 HA PHE 21 HA PHE 21 -6.927 -8.493 -5.211 133 1HB PHE 21 2HB PHE 21 -4.549 -9.190 -5.475 134 2HB PHE 21 1HB PHE 21 -4.368 -8.029 -6.782 135 HD1 PHE 21 HD1 PHE 21 -4.169 -8.572 -3.274 136 HD2 PHE 21 HD2 PHE 21 -4.699 -5.548 -6.210 137 HE1 PHE 21 HE1 PHE 21 -3.499 -6.859 -1.625 138 HE2 PHE 21 HE2 PHE 21 -4.040 -3.834 -4.576 139 HZ PHE 21 HZ PHE 21 -3.443 -4.489 -2.282 140 H SER 22 H SER 22 -7.627 -6.486 -5.010 141 HA SER 22 HA SER 22 -7.175 -4.548 -7.101 142 1HB SER 22 2HB SER 22 -9.589 -3.891 -7.147 143 2HB SER 22 1HB SER 22 -9.236 -5.435 -7.935 144 HG SER 22 HG SER 22 -10.747 -6.175 -6.664 145 H GLY 23 H GLY 23 -6.442 -2.863 -6.069 146 1HA GLY 23 2HA GLY 23 -7.329 -2.471 -3.299 147 2HA GLY 23 1HA GLY 23 -5.623 -2.694 -3.640 148 H LYS 24 H LYS 24 -7.079 -0.487 -2.441 149 HA LYS 24 HA LYS 24 -5.854 1.567 -4.093 150 1HB LYS 24 2HB LYS 24 -7.779 3.070 -3.748 151 2HB LYS 24 1HB LYS 24 -8.181 1.653 -4.723 152 1HG LYS 24 2HG LYS 24 -9.204 0.616 -2.748 153 2HG LYS 24 1HG LYS 24 -8.787 2.045 -1.799 154 1HD LYS 24 2HD LYS 24 -10.222 3.426 -3.173 155 2HD LYS 24 1HD LYS 24 -10.567 2.060 -4.237 156 1HE LYS 24 2HE LYS 24 -11.265 2.187 -1.303 157 2HE LYS 24 1HE LYS 24 -12.385 2.534 -2.622 158 1HZ LYS 24 1HZ LYS 24 -12.161 0.289 -3.407 159 2HZ LYS 24 2HZ LYS 24 -12.583 0.255 -1.765 160 3HZ LYS 24 3HZ LYS 24 -10.989 -0.060 -2.234 161 H ILE 25 H ILE 25 -5.499 3.568 -2.823 162 HA ILE 25 HA ILE 25 -4.865 2.837 -0.053 163 HB ILE 25 HB ILE 25 -2.775 3.934 -1.932 164 1HG1 ILE 25 2HG1 ILE 25 -3.159 1.053 -1.069 165 2HG1 ILE 25 1HG1 ILE 25 -3.509 1.679 -2.675 166 1HG2 ILE 25 1HG2 ILE 25 -2.400 4.356 0.441 167 2HG2 ILE 25 2HG2 ILE 25 -1.224 3.196 -0.177 168 3HG2 ILE 25 3HG2 ILE 25 -2.591 2.637 0.786 169 1HD1 ILE 25 1HD1 ILE 25 -0.804 1.610 -1.364 170 2HD1 ILE 25 2HD1 ILE 25 -1.158 2.225 -2.979 171 3HD1 ILE 25 3HD1 ILE 25 -1.384 0.514 -2.617 172 H TYR 26 H TYR 26 -4.184 4.605 1.253 173 HA TYR 26 HA TYR 26 -5.271 7.206 0.371 174 1HB TYR 26 2HB TYR 26 -6.668 5.707 1.931 175 2HB TYR 26 1HB TYR 26 -5.439 6.016 3.146 176 HD1 TYR 26 HD1 TYR 26 -4.951 8.589 3.534 177 HD2 TYR 26 HD2 TYR 26 -8.543 6.996 1.923 178 HE1 TYR 26 HE1 TYR 26 -6.179 10.599 4.271 179 HE2 TYR 26 HE2 TYR 26 -9.777 8.994 2.639 180 HH TYR 26 HH TYR 26 -9.531 10.763 4.394 181 H VAL 27 H VAL 27 -3.357 8.438 0.151 182 HA VAL 27 HA VAL 27 -1.470 8.334 2.383 183 HB VAL 27 HB VAL 27 0.197 7.339 1.311 184 1HG1 VAL 27 1HG1 VAL 27 -0.209 6.164 -0.801 185 2HG1 VAL 27 2HG1 VAL 27 -1.723 7.049 -0.987 186 3HG1 VAL 27 3HG1 VAL 27 -1.513 5.934 0.365 187 1HG2 VAL 27 1HG2 VAL 27 0.848 9.463 0.325 188 2HG2 VAL 27 2HG2 VAL 27 -0.238 9.182 -1.035 189 3HG2 VAL 27 3HG2 VAL 27 1.158 8.135 -0.793 190 H LYS 28 H LYS 28 -0.099 10.085 2.645 191 HA LYS 28 HA LYS 28 -1.214 12.568 1.718 192 1HB LYS 28 2HB LYS 28 -0.623 12.716 3.953 193 2HB LYS 28 1HB LYS 28 0.853 11.787 3.734 194 1HG LYS 28 2HG LYS 28 2.026 13.620 2.887 195 2HG LYS 28 1HG LYS 28 0.551 14.515 2.533 196 1HD LYS 28 2HD LYS 28 1.263 13.794 5.349 197 2HD LYS 28 1HD LYS 28 1.981 15.205 4.566 198 1HE LYS 28 2HE LYS 28 -0.956 14.668 4.996 199 2HE LYS 28 1HE LYS 28 0.027 15.887 5.808 200 1HZ LYS 28 1HZ LYS 28 -0.965 15.859 3.030 201 2HZ LYS 28 2HZ LYS 28 0.454 16.704 3.398 202 3HZ LYS 28 3HZ LYS 28 -0.993 17.116 4.169 203 H ASN 29 H ASN 29 -0.296 14.067 0.481 204 HA ASN 29 HA ASN 29 1.834 13.306 -1.308 205 1HB ASN 29 2HB ASN 29 1.370 15.612 -2.268 206 2HB ASN 29 1HB ASN 29 0.008 14.490 -2.295 207 1HD2 ASN 29 1HD2 ASN 29 0.076 17.434 -2.353 208 2HD2 ASN 29 2HD2 ASN 29 -0.891 17.956 -1.008 209 H ILE 30 H ILE 30 3.834 13.350 -0.379 210 HA ILE 30 HA ILE 30 4.613 15.472 1.450 211 HB ILE 30 HB ILE 30 6.501 13.528 0.115 212 1HG1 ILE 30 2HG1 ILE 30 4.806 12.133 1.112 213 2HG1 ILE 30 1HG1 ILE 30 6.252 12.067 2.109 214 1HG2 ILE 30 1HG2 ILE 30 7.807 13.870 2.195 215 2HG2 ILE 30 2HG2 ILE 30 6.617 15.073 2.689 216 3HG2 ILE 30 3HG2 ILE 30 7.583 15.336 1.242 217 1HD1 ILE 30 1HD1 ILE 30 4.196 12.157 3.414 218 2HD1 ILE 30 2HD1 ILE 30 3.815 13.720 2.693 219 3HD1 ILE 30 3HD1 ILE 30 5.238 13.548 3.723 220 H ALA 31 H ALA 31 5.811 14.254 -1.617 221 HA ALA 31 HA ALA 31 6.254 16.974 -2.545 222 1HB ALA 31 1HB ALA 31 8.184 16.176 -3.812 223 2HB ALA 31 2HB ALA 31 7.957 14.576 -3.120 224 3HB ALA 31 3HB ALA 31 8.408 15.920 -2.080 225 H TYR 32 H TYR 32 7.007 15.822 -5.188 226 HA TYR 32 HA TYR 32 4.266 15.091 -5.939 227 1HB TYR 32 2HB TYR 32 5.125 17.222 -6.791 228 2HB TYR 32 1HB TYR 32 6.400 16.358 -7.647 229 HD1 TYR 32 HD1 TYR 32 2.700 16.307 -7.303 230 HD2 TYR 32 HD2 TYR 32 6.039 15.839 -9.880 231 HE1 TYR 32 HE1 TYR 32 1.172 15.995 -9.204 232 HE2 TYR 32 HE2 TYR 32 4.528 15.522 -11.794 233 HH TYR 32 HH TYR 32 1.277 16.313 -11.704 234 H SER 33 H SER 33 7.668 14.395 -6.663 235 HA SER 33 HA SER 33 6.976 12.169 -8.333 236 1HB SER 33 2HB SER 33 9.072 13.539 -8.599 237 2HB SER 33 1HB SER 33 9.670 12.811 -7.098 238 HG SER 33 HG SER 33 8.777 10.923 -8.846 239 H LYS 34 H LYS 34 5.607 11.030 -6.905 240 HA LYS 34 HA LYS 34 6.964 9.590 -4.738 241 1HB LYS 34 2HB LYS 34 4.013 9.958 -5.265 242 2HB LYS 34 1HB LYS 34 4.731 9.247 -3.831 243 1HG LYS 34 2HG LYS 34 5.477 11.310 -3.053 244 2HG LYS 34 1HG LYS 34 5.332 12.044 -4.650 245 1HD LYS 34 2HD LYS 34 3.047 11.170 -2.891 246 2HD LYS 34 1HD LYS 34 3.562 12.832 -3.188 247 1HE LYS 34 2HE LYS 34 3.105 12.489 -5.604 248 2HE LYS 34 1HE LYS 34 2.463 10.894 -5.219 249 1HZ LYS 34 1HZ LYS 34 0.962 12.243 -3.615 250 2HZ LYS 34 2HZ LYS 34 0.575 12.158 -5.259 251 3HZ LYS 34 3HZ LYS 34 1.335 13.543 -4.637 252 H LYS 35 H LYS 35 6.647 7.298 -4.644 253 HA LYS 35 HA LYS 35 5.245 6.095 -6.887 254 1HB LYS 35 2HB LYS 35 7.096 4.510 -7.345 255 2HB LYS 35 1HB LYS 35 7.506 6.172 -7.742 256 1HG LYS 35 2HG LYS 35 8.839 6.380 -5.774 257 2HG LYS 35 1HG LYS 35 8.294 4.807 -5.198 258 1HD LYS 35 2HD LYS 35 9.875 5.253 -7.727 259 2HD LYS 35 1HD LYS 35 10.571 4.757 -6.183 260 1HE LYS 35 2HE LYS 35 9.124 2.752 -6.218 261 2HE LYS 35 1HE LYS 35 8.530 3.240 -7.805 262 1HZ LYS 35 1HZ LYS 35 10.742 3.023 -8.693 263 2HZ LYS 35 2HZ LYS 35 10.305 1.575 -7.929 264 3HZ LYS 35 3HZ LYS 35 11.366 2.655 -7.163 265 H VAL 36 H VAL 36 3.834 4.894 -5.983 266 HA VAL 36 HA VAL 36 4.302 3.888 -3.304 267 HB VAL 36 HB VAL 36 1.792 4.203 -4.942 268 1HG1 VAL 36 1HG1 VAL 36 0.529 3.240 -3.254 269 2HG1 VAL 36 2HG1 VAL 36 1.865 3.263 -2.124 270 3HG1 VAL 36 3HG1 VAL 36 1.868 2.109 -3.457 271 1HG2 VAL 36 1HG2 VAL 36 2.690 6.199 -3.933 272 2HG2 VAL 36 2HG2 VAL 36 2.761 5.414 -2.360 273 3HG2 VAL 36 3HG2 VAL 36 1.201 5.733 -3.124 274 H THR 37 H THR 37 4.647 1.898 -2.833 275 HA THR 37 HA THR 37 4.567 -0.077 -5.017 276 HB THR 37 HB THR 37 6.711 -0.942 -4.098 277 HG1 THR 37 HG1 THR 37 7.465 1.285 -2.782 278 1HG2 THR 37 1HG2 THR 37 6.447 0.900 -5.925 279 2HG2 THR 37 2HG2 THR 37 8.045 0.573 -5.254 280 3HG2 THR 37 3HG2 THR 37 7.121 1.966 -4.691 281 H VAL 38 H VAL 38 3.173 -1.613 -4.521 282 HA VAL 38 HA VAL 38 2.584 -2.408 -1.841 283 HB VAL 38 HB VAL 38 2.123 -3.860 -4.455 284 1HG1 VAL 38 1HG1 VAL 38 0.834 -5.472 -3.282 285 2HG1 VAL 38 2HG1 VAL 38 0.964 -4.582 -1.771 286 3HG1 VAL 38 3HG1 VAL 38 2.392 -5.368 -2.458 287 1HG2 VAL 38 1HG2 VAL 38 -0.251 -3.531 -3.653 288 2HG2 VAL 38 2HG2 VAL 38 0.562 -2.193 -4.477 289 3HG2 VAL 38 3HG2 VAL 38 0.397 -2.185 -2.712 290 H VAL 39 H VAL 39 3.596 -3.884 -0.650 291 HA VAL 39 HA VAL 39 5.046 -5.948 -2.143 292 HB VAL 39 HB VAL 39 6.006 -6.240 0.432 293 1HG1 VAL 39 1HG1 VAL 39 7.279 -4.783 -1.881 294 2HG1 VAL 39 2HG1 VAL 39 7.274 -6.528 -1.625 295 3HG1 VAL 39 3HG1 VAL 39 8.137 -5.474 -0.505 296 1HG2 VAL 39 1HG2 VAL 39 6.940 -4.041 1.034 297 2HG2 VAL 39 2HG2 VAL 39 5.178 -4.071 1.125 298 3HG2 VAL 39 3HG2 VAL 39 5.976 -3.301 -0.246 299 H TYR 40 H TYR 40 3.451 -7.420 -2.326 300 HA TYR 40 HA TYR 40 2.239 -8.189 0.227 301 1HB TYR 40 2HB TYR 40 0.130 -8.888 -0.930 302 2HB TYR 40 1HB TYR 40 0.409 -7.163 -0.886 303 HD1 TYR 40 HD1 TYR 40 1.766 -9.532 -3.342 304 HD2 TYR 40 HD2 TYR 40 -0.988 -6.452 -2.649 305 HE1 TYR 40 HE1 TYR 40 1.263 -9.565 -5.698 306 HE2 TYR 40 HE2 TYR 40 -1.504 -6.382 -5.057 307 HH TYR 40 HH TYR 40 -0.266 -8.815 -7.253 308 H ALA 41 H ALA 41 2.229 -10.184 0.822 309 HA ALA 41 HA ALA 41 4.339 -11.670 -0.482 310 1HB ALA 41 1HB ALA 41 4.407 -12.926 1.647 311 2HB ALA 41 2HB ALA 41 3.070 -11.937 2.224 312 3HB ALA 41 3HB ALA 41 4.614 -11.188 1.849 313 H ASP 42 H ASP 42 4.324 -13.885 -0.633 314 HA ASP 42 HA ASP 42 2.111 -14.567 -2.318 315 1HB ASP 42 2HB ASP 42 4.367 -16.420 -1.538 316 2HB ASP 42 1HB ASP 42 3.445 -16.400 -3.036 317 H GLY 43 H GLY 43 1.432 -17.013 -2.242 318 1HA GLY 43 2HA GLY 43 0.059 -17.445 0.247 319 2HA GLY 43 1HA GLY 43 0.008 -18.482 -1.172 320 H SER 44 H SER 44 2.958 -17.491 0.384 321 HA SER 44 HA SER 44 3.374 -20.229 1.367 322 1HB SER 44 2HB SER 44 4.975 -19.392 -0.375 323 2HB SER 44 1HB SER 44 5.427 -18.110 0.752 324 HG SER 44 HG SER 44 5.550 -20.597 1.880 325 H ASP 45 H ASP 45 2.765 -17.087 2.116 326 HA ASP 45 HA ASP 45 2.308 -16.029 4.059 327 1HB ASP 45 2HB ASP 45 1.710 -18.217 5.051 328 2HB ASP 45 1HB ASP 45 3.401 -18.497 5.446 329 H ASN 46 H ASN 46 3.785 -14.540 3.432 330 HA ASN 46 HA ASN 46 5.206 -12.937 4.309 331 1HB ASN 46 2HB ASN 46 5.055 -14.104 6.511 332 2HB ASN 46 1HB ASN 46 6.376 -15.137 5.990 333 1HD2 ASN 46 1HD2 ASN 46 5.466 -11.980 7.084 334 2HD2 ASN 46 2HD2 ASN 46 7.073 -11.401 7.376 335 H TRP 47 H TRP 47 7.438 -12.314 3.938 336 HA TRP 47 HA TRP 47 8.277 -13.453 1.532 337 1HB TRP 47 2HB TRP 47 9.103 -11.116 3.148 338 2HB TRP 47 1HB TRP 47 10.162 -11.677 1.841 339 HD1 TRP 47 HD1 TRP 47 9.108 -11.750 -0.598 340 HE1 TRP 47 HE1 TRP 47 7.157 -10.445 -1.661 341 HE3 TRP 47 HE3 TRP 47 6.953 -9.990 3.641 342 HZ2 TRP 47 HZ2 TRP 47 4.983 -8.923 -0.747 343 HZ3 TRP 47 HZ3 TRP 47 4.964 -8.666 3.475 344 HH2 TRP 47 HH2 TRP 47 3.992 -8.127 1.314 345 H ASN 48 H ASN 48 9.577 -15.020 1.178 346 HA ASN 48 HA ASN 48 11.591 -15.889 3.024 347 1HB ASN 48 2HB ASN 48 10.708 -17.615 1.686 348 2HB ASN 48 1HB ASN 48 10.759 -16.639 0.225 349 1HD2 ASN 48 1HD2 ASN 48 12.556 -16.606 -1.002 350 2HD2 ASN 48 2HD2 ASN 48 13.968 -17.565 -0.692 351 H ASN 49 H ASN 49 12.493 -13.693 3.247 352 HA ASN 49 HA ASN 49 14.006 -12.026 2.810 353 1HB ASN 49 2HB ASN 49 15.444 -14.039 3.159 354 2HB ASN 49 1HB ASN 49 15.467 -14.286 1.412 355 1HD2 ASN 49 1HD2 ASN 49 17.674 -14.065 1.280 356 2HD2 ASN 49 2HD2 ASN 49 18.476 -12.546 1.478 357 H ASN 50 H ASN 50 11.895 -12.143 0.920 358 HA ASN 50 HA ASN 50 13.256 -11.475 -1.604 359 1HB ASN 50 2HB ASN 50 11.877 -13.625 -1.593 360 2HB ASN 50 1HB ASN 50 10.448 -12.600 -1.377 361 1HD2 ASN 50 1HD2 ASN 50 9.672 -13.470 -3.347 362 2HD2 ASN 50 2HD2 ASN 50 10.261 -12.854 -4.881 363 H GLY 51 H GLY 51 11.617 -10.101 -3.025 364 1HA GLY 51 2HA GLY 51 10.176 -8.271 -1.285 365 2HA GLY 51 1HA GLY 51 11.448 -7.593 -2.297 366 H ASN 52 H ASN 52 8.415 -9.347 -2.349 367 HA ASN 52 HA ASN 52 8.041 -9.011 -5.181 368 1HB ASN 52 2HB ASN 52 6.376 -10.192 -2.977 369 2HB ASN 52 1HB ASN 52 5.714 -9.955 -4.593 370 1HD2 ASN 52 1HD2 ASN 52 6.477 -12.376 -2.936 371 2HD2 ASN 52 2HD2 ASN 52 7.438 -13.319 -4.021 372 H ILE 53 H ILE 53 7.905 -6.914 -5.708 373 HA ILE 53 HA ILE 53 5.874 -5.281 -4.359 374 HB ILE 53 HB ILE 53 8.062 -4.304 -4.143 375 1HG1 ILE 53 2HG1 ILE 53 5.954 -2.885 -4.918 376 2HG1 ILE 53 1HG1 ILE 53 7.527 -2.141 -4.692 377 1HG2 ILE 53 1HG2 ILE 53 8.300 -4.221 -7.134 378 2HG2 ILE 53 2HG2 ILE 53 9.001 -5.476 -6.130 379 3HG2 ILE 53 3HG2 ILE 53 9.528 -3.811 -5.934 380 1HD1 ILE 53 1HD1 ILE 53 6.327 -2.998 -7.315 381 2HD1 ILE 53 2HD1 ILE 53 7.924 -2.279 -7.108 382 3HD1 ILE 53 3HD1 ILE 53 6.478 -1.345 -6.718 383 H ILE 54 H ILE 54 4.345 -4.276 -5.454 384 HA ILE 54 HA ILE 54 4.389 -4.312 -8.376 385 HB ILE 54 HB ILE 54 2.943 -6.176 -7.737 386 1HG1 ILE 54 2HG1 ILE 54 1.226 -3.870 -8.654 387 2HG1 ILE 54 1HG1 ILE 54 2.367 -4.718 -9.697 388 1HG2 ILE 54 1HG2 ILE 54 1.276 -4.162 -6.244 389 2HG2 ILE 54 2HG2 ILE 54 2.329 -5.371 -5.503 390 3HG2 ILE 54 3HG2 ILE 54 0.927 -5.881 -6.444 391 1HD1 ILE 54 1HD1 ILE 54 0.259 -6.238 -8.218 392 2HD1 ILE 54 2HD1 ILE 54 1.109 -6.657 -9.711 393 3HD1 ILE 54 3HD1 ILE 54 -0.124 -5.395 -9.724 394 H ALA 55 H ALA 55 4.030 -2.331 -9.154 395 HA ALA 55 HA ALA 55 3.892 -0.229 -7.240 396 1HB ALA 55 1HB ALA 55 5.325 -0.118 -9.228 397 2HB ALA 55 2HB ALA 55 4.237 1.264 -9.108 398 3HB ALA 55 3HB ALA 55 3.889 -0.038 -10.247 399 H ALA 56 H ALA 56 2.257 1.059 -6.695 400 HA ALA 56 HA ALA 56 -0.398 0.549 -7.796 401 1HB ALA 56 1HB ALA 56 -1.160 1.980 -5.919 402 2HB ALA 56 2HB ALA 56 0.518 2.228 -5.459 403 3HB ALA 56 3HB ALA 56 -0.187 0.616 -5.378 404 H SER 57 H SER 57 -1.794 2.563 -8.222 405 HA SER 57 HA SER 57 -0.150 4.664 -9.445 406 1HB SER 57 2HB SER 57 -1.061 2.952 -11.105 407 2HB SER 57 1HB SER 57 -2.665 3.568 -10.710 408 HG SER 57 HG SER 57 -2.282 5.087 -12.103 409 H PHE 58 H PHE 58 -0.914 6.701 -9.228 410 HA PHE 58 HA PHE 58 -2.860 7.197 -7.271 411 1HB PHE 58 2HB PHE 58 -2.438 9.559 -7.676 412 2HB PHE 58 1HB PHE 58 -0.934 8.661 -7.508 413 HD1 PHE 58 HD1 PHE 58 -3.237 10.177 -9.916 414 HD2 PHE 58 HD2 PHE 58 0.665 8.633 -9.254 415 HE1 PHE 58 HE1 PHE 58 -2.538 11.038 -12.066 416 HE2 PHE 58 HE2 PHE 58 1.388 9.516 -11.437 417 HZ PHE 58 HZ PHE 58 -0.222 10.729 -12.859 418 H SER 59 H SER 59 -4.874 8.108 -7.427 419 HA SER 59 HA SER 59 -6.117 7.865 -10.079 420 1HB SER 59 2HB SER 59 -7.008 6.384 -8.278 421 2HB SER 59 1HB SER 59 -7.447 7.822 -7.359 422 HG SER 59 HG SER 59 -8.717 8.409 -9.294 423 H GLY 60 H GLY 60 -6.026 9.865 -7.135 424 1HA GLY 60 2HA GLY 60 -5.853 12.292 -8.483 425 2HA GLY 60 1HA GLY 60 -7.566 11.990 -8.226 426 HA PRO 61 HA PRO 61 -5.590 13.856 -4.341 427 1HB PRO 61 2HB PRO 61 -7.112 16.274 -5.001 428 2HB PRO 61 1HB PRO 61 -5.406 16.109 -4.581 429 1HG PRO 61 2HG PRO 61 -6.199 16.741 -7.074 430 2HG PRO 61 1HG PRO 61 -4.763 15.747 -6.761 431 1HD PRO 61 2HD PRO 61 -7.517 14.886 -7.583 432 2HD PRO 61 1HD PRO 61 -5.937 14.324 -8.178 433 H ILE 62 H ILE 62 -6.711 13.766 -2.454 434 HA ILE 62 HA ILE 62 -9.453 12.888 -2.593 435 HB ILE 62 HB ILE 62 -7.819 13.444 -0.112 436 1HG1 ILE 62 2HG1 ILE 62 -8.088 10.894 -1.713 437 2HG1 ILE 62 1HG1 ILE 62 -6.627 11.858 -1.533 438 1HG2 ILE 62 1HG2 ILE 62 -10.189 11.643 -0.566 439 2HG2 ILE 62 2HG2 ILE 62 -10.237 13.214 0.228 440 3HG2 ILE 62 3HG2 ILE 62 -9.342 11.888 0.960 441 1HD1 ILE 62 1HD1 ILE 62 -6.803 11.413 0.940 442 2HD1 ILE 62 2HD1 ILE 62 -6.379 10.061 -0.094 443 3HD1 ILE 62 3HD1 ILE 62 -8.019 10.201 0.531 444 H SER 63 H SER 63 -10.955 14.411 -2.931 445 HA SER 63 HA SER 63 -10.640 17.121 -2.209 446 1HB SER 63 2HB SER 63 -13.142 15.592 -2.952 447 2HB SER 63 1HB SER 63 -12.996 17.351 -2.884 448 HG SER 63 HG SER 63 -11.125 16.922 -4.402 449 H GLY 64 H GLY 64 -10.731 17.962 -0.284 450 1HA GLY 64 2HA GLY 64 -12.262 18.416 1.619 451 2HA GLY 64 1HA GLY 64 -12.457 16.675 1.746 452 H SER 65 H SER 65 -9.401 16.649 1.021 453 HA SER 65 HA SER 65 -8.272 17.639 3.515 454 1HB SER 65 2HB SER 65 -8.050 14.712 2.790 455 2HB SER 65 1HB SER 65 -7.374 15.500 4.212 456 HG SER 65 HG SER 65 -10.034 15.966 4.002 457 H ASN 66 H ASN 66 -5.895 17.317 3.571 458 HA ASN 66 HA ASN 66 -4.799 17.822 0.912 459 1HB ASN 66 2HB ASN 66 -4.324 19.239 3.010 460 2HB ASN 66 1HB ASN 66 -3.279 17.917 3.518 461 1HD2 ASN 66 1HD2 ASN 66 -2.632 20.675 2.878 462 2HD2 ASN 66 2HD2 ASN 66 -1.461 20.621 1.603 463 H TYR 67 H TYR 67 -5.422 15.446 0.633 464 HA TYR 67 HA TYR 67 -3.015 13.807 0.979 465 1HB TYR 67 2HB TYR 67 -5.698 13.266 2.078 466 2HB TYR 67 1HB TYR 67 -5.033 11.943 1.135 467 HD1 TYR 67 HD1 TYR 67 -3.593 14.340 3.626 468 HD2 TYR 67 HD2 TYR 67 -4.166 10.303 2.465 469 HE1 TYR 67 HE1 TYR 67 -2.283 13.608 5.576 470 HE2 TYR 67 HE2 TYR 67 -2.858 9.547 4.401 471 HH TYR 67 HH TYR 67 -1.155 10.405 5.917 472 H GLU 68 H GLU 68 -3.195 11.824 -0.482 473 HA GLU 68 HA GLU 68 -4.708 12.499 -2.919 474 1HB GLU 68 2HB GLU 68 -2.153 12.807 -2.975 475 2HB GLU 68 1HB GLU 68 -2.065 11.052 -2.953 476 1HG GLU 68 2HG GLU 68 -3.172 10.896 -5.041 477 2HG GLU 68 1HG GLU 68 -3.613 12.604 -4.990 478 H TYR 69 H TYR 69 -4.615 10.235 -4.380 479 HA TYR 69 HA TYR 69 -5.725 8.229 -2.594 480 1HB TYR 69 2HB TYR 69 -7.493 10.068 -3.189 481 2HB TYR 69 1HB TYR 69 -7.522 9.275 -4.763 482 HD1 TYR 69 HD1 TYR 69 -6.972 7.559 -1.578 483 HD2 TYR 69 HD2 TYR 69 -9.779 8.418 -4.645 484 HE1 TYR 69 HE1 TYR 69 -8.488 5.869 -0.642 485 HE2 TYR 69 HE2 TYR 69 -11.312 6.722 -3.726 486 HH TYR 69 HH TYR 69 -10.621 5.084 -0.672 487 H TRP 70 H TRP 70 -5.322 6.301 -3.371 488 HA TRP 70 HA TRP 70 -4.199 6.224 -6.088 489 1HB TRP 70 2HB TRP 70 -3.203 4.737 -3.652 490 2HB TRP 70 1HB TRP 70 -2.395 4.915 -5.205 491 HD1 TRP 70 HD1 TRP 70 -3.635 7.398 -2.470 492 HE1 TRP 70 HE1 TRP 70 -1.824 9.182 -2.229 493 HE3 TRP 70 HE3 TRP 70 -0.460 5.827 -5.862 494 HZ2 TRP 70 HZ2 TRP 70 0.670 9.835 -3.281 495 HZ3 TRP 70 HZ3 TRP 70 1.702 6.944 -6.231 496 HH2 TRP 70 HH2 TRP 70 2.229 8.977 -4.960 497 H THR 71 H THR 71 -4.507 4.302 -7.262 498 HA THR 71 HA THR 71 -6.079 2.169 -6.024 499 HB THR 71 HB THR 71 -7.641 2.186 -8.031 500 HG1 THR 71 HG1 THR 71 -6.136 3.901 -9.042 501 1HG2 THR 71 1HG2 THR 71 -7.777 4.490 -6.090 502 2HG2 THR 71 2HG2 THR 71 -8.469 2.884 -5.875 503 3HG2 THR 71 3HG2 THR 71 -9.111 3.961 -7.115 504 H PHE 72 H PHE 72 -5.919 0.167 -7.133 505 HA PHE 72 HA PHE 72 -5.231 0.053 -9.847 506 1HB PHE 72 2HB PHE 72 -3.028 -0.730 -9.910 507 2HB PHE 72 1HB PHE 72 -2.953 0.533 -8.691 508 HD1 PHE 72 HD1 PHE 72 -3.363 -0.326 -6.216 509 HD2 PHE 72 HD2 PHE 72 -2.065 -2.745 -9.460 510 HE1 PHE 72 HE1 PHE 72 -2.424 -1.944 -4.623 511 HE2 PHE 72 HE2 PHE 72 -1.118 -4.370 -7.876 512 HZ PHE 72 HZ PHE 72 -1.298 -3.972 -5.454 513 H SER 73 H SER 73 -5.263 -2.089 -10.714 514 HA SER 73 HA SER 73 -6.366 -4.088 -8.858 515 1HB SER 73 2HB SER 73 -6.746 -3.911 -11.859 516 2HB SER 73 1HB SER 73 -7.502 -5.082 -10.777 517 HG SER 73 HG SER 73 -8.592 -2.922 -11.477 518 H ALA 74 H ALA 74 -5.598 -6.207 -8.981 519 HA ALA 74 HA ALA 74 -3.139 -6.599 -10.544 520 1HB ALA 74 1HB ALA 74 -2.944 -7.680 -7.853 521 2HB ALA 74 2HB ALA 74 -3.102 -5.928 -7.870 522 3HB ALA 74 3HB ALA 74 -1.792 -6.702 -8.765 523 H SER 75 H SER 75 -2.750 -8.716 -11.147 524 HA SER 75 HA SER 75 -4.812 -10.656 -10.389 525 1HB SER 75 2HB SER 75 -4.321 -10.325 -12.823 526 2HB SER 75 1HB SER 75 -2.676 -10.888 -12.530 527 HG SER 75 HG SER 75 -5.095 -12.307 -12.518 528 H VAL 76 H VAL 76 -4.209 -11.436 -8.433 529 HA VAL 76 HA VAL 76 -1.420 -12.314 -8.155 530 HB VAL 76 HB VAL 76 -1.628 -12.231 -5.799 531 1HG1 VAL 76 1HG1 VAL 76 -2.589 -9.897 -5.404 532 2HG1 VAL 76 2HG1 VAL 76 -2.930 -9.906 -7.133 533 3HG1 VAL 76 3HG1 VAL 76 -1.270 -10.064 -6.569 534 1HG2 VAL 76 1HG2 VAL 76 -3.638 -11.894 -4.575 535 2HG2 VAL 76 2HG2 VAL 76 -3.878 -13.236 -5.684 536 3HG2 VAL 76 3HG2 VAL 76 -4.569 -11.662 -6.053 537 H LYS 77 H LYS 77 -0.933 -14.402 -7.682 538 HA LYS 77 HA LYS 77 -3.102 -16.279 -8.323 539 1HB LYS 77 2HB LYS 77 -0.103 -16.495 -8.621 540 2HB LYS 77 1HB LYS 77 -1.189 -17.855 -8.852 541 1HG LYS 77 2HG LYS 77 -0.667 -16.991 -10.995 542 2HG LYS 77 1HG LYS 77 -2.333 -16.533 -10.644 543 1HD LYS 77 2HD LYS 77 -1.595 -14.290 -10.027 544 2HD LYS 77 1HD LYS 77 0.081 -14.746 -10.333 545 1HE LYS 77 2HE LYS 77 -0.750 -13.532 -12.230 546 2HE LYS 77 1HE LYS 77 -0.529 -15.219 -12.685 547 1HZ LYS 77 1HZ LYS 77 -3.026 -13.720 -12.287 548 2HZ LYS 77 2HZ LYS 77 -3.022 -15.399 -12.058 549 3HZ LYS 77 3HZ LYS 77 -2.577 -14.749 -13.559 550 H GLY 78 H GLY 78 -1.229 -15.188 -5.798 551 1HA GLY 78 2HA GLY 78 -2.337 -16.940 -3.912 552 2HA GLY 78 1HA GLY 78 -0.716 -17.502 -4.308 553 H ILE 79 H ILE 79 -2.558 -15.325 -2.492 554 HA ILE 79 HA ILE 79 -0.114 -14.017 -1.554 555 HB ILE 79 HB ILE 79 -1.368 -12.441 -2.878 556 1HG1 ILE 79 2HG1 ILE 79 -1.806 -11.863 0.047 557 2HG1 ILE 79 1HG1 ILE 79 -0.312 -11.564 -0.840 558 1HG2 ILE 79 1HG2 ILE 79 -3.677 -11.780 -2.109 559 2HG2 ILE 79 2HG2 ILE 79 -3.692 -13.271 -1.170 560 3HG2 ILE 79 3HG2 ILE 79 -3.541 -13.335 -2.927 561 1HD1 ILE 79 1HD1 ILE 79 -1.789 -9.593 -0.506 562 2HD1 ILE 79 2HD1 ILE 79 -2.949 -10.341 -1.586 563 3HD1 ILE 79 3HD1 ILE 79 -1.343 -9.905 -2.172 564 H LYS 80 H LYS 80 -0.264 -13.299 0.677 565 HA LYS 80 HA LYS 80 -2.341 -14.547 2.297 566 1HB LYS 80 2HB LYS 80 -0.612 -16.284 1.993 567 2HB LYS 80 1HB LYS 80 0.588 -15.195 2.663 568 1HG LYS 80 2HG LYS 80 -0.047 -16.774 4.333 569 2HG LYS 80 1HG LYS 80 -0.661 -15.189 4.795 570 1HD LYS 80 2HD LYS 80 -2.458 -16.975 3.240 571 2HD LYS 80 1HD LYS 80 -2.151 -17.390 4.925 572 1HE LYS 80 2HE LYS 80 -3.193 -14.737 3.932 573 2HE LYS 80 1HE LYS 80 -4.168 -16.013 4.659 574 1HZ LYS 80 1HZ LYS 80 -3.641 -14.342 6.288 575 2HZ LYS 80 2HZ LYS 80 -1.980 -14.492 5.993 576 3HZ LYS 80 3HZ LYS 80 -2.841 -15.775 6.697 577 H GLU 81 H GLU 81 0.560 -12.532 2.148 578 HA GLU 81 HA GLU 81 -0.360 -11.091 4.559 579 1HB GLU 81 2HB GLU 81 2.518 -11.899 4.094 580 2HB GLU 81 1HB GLU 81 1.859 -11.086 5.506 581 1HG GLU 81 2HG GLU 81 1.075 -13.856 4.669 582 2HG GLU 81 1HG GLU 81 2.381 -13.509 5.804 583 H PHE 82 H PHE 82 0.724 -8.849 4.709 584 HA PHE 82 HA PHE 82 2.542 -8.117 2.683 585 1HB PHE 82 2HB PHE 82 1.243 -6.665 1.275 586 2HB PHE 82 1HB PHE 82 0.492 -8.252 1.272 587 HD1 PHE 82 HD1 PHE 82 0.090 -4.756 1.995 588 HD2 PHE 82 HD2 PHE 82 -1.598 -8.616 2.570 589 HE1 PHE 82 HE1 PHE 82 -2.060 -3.721 2.583 590 HE2 PHE 82 HE2 PHE 82 -3.749 -7.588 3.163 591 HZ PHE 82 HZ PHE 82 -3.982 -5.138 3.169 592 H TYR 83 H TYR 83 2.715 -5.718 2.421 593 HA TYR 83 HA TYR 83 1.456 -3.971 4.256 594 1HB TYR 83 2HB TYR 83 3.776 -3.080 5.070 595 2HB TYR 83 1HB TYR 83 3.003 -4.410 5.915 596 HD1 TYR 83 HD1 TYR 83 5.356 -3.885 3.087 597 HD2 TYR 83 HD2 TYR 83 4.334 -6.186 6.491 598 HE1 TYR 83 HE1 TYR 83 7.413 -5.226 2.792 599 HE2 TYR 83 HE2 TYR 83 6.371 -7.532 6.217 600 HH TYR 83 HH TYR 83 8.900 -6.625 4.120 601 H ILE 84 H ILE 84 1.696 -1.774 3.530 602 HA ILE 84 HA ILE 84 2.734 -1.763 0.782 603 HB ILE 84 HB ILE 84 0.720 0.130 2.003 604 1HG1 ILE 84 2HG1 ILE 84 -0.317 -2.026 1.863 605 2HG1 ILE 84 1HG1 ILE 84 -0.884 -1.102 0.474 606 1HG2 ILE 84 1HG2 ILE 84 0.310 0.780 -0.333 607 2HG2 ILE 84 2HG2 ILE 84 1.649 -0.252 -0.839 608 3HG2 ILE 84 3HG2 ILE 84 1.950 1.149 0.193 609 1HD1 ILE 84 1HD1 ILE 84 1.277 -3.191 0.440 610 2HD1 ILE 84 2HD1 ILE 84 0.726 -2.253 -0.949 611 3HD1 ILE 84 3HD1 ILE 84 -0.374 -3.381 -0.153 612 H LYS 85 H LYS 85 4.193 -0.250 0.092 613 HA LYS 85 HA LYS 85 5.500 1.210 2.239 614 1HB LYS 85 2HB LYS 85 6.569 0.396 -0.456 615 2HB LYS 85 1HB LYS 85 7.481 1.141 0.848 616 1HG LYS 85 2HG LYS 85 6.895 -0.876 2.240 617 2HG LYS 85 1HG LYS 85 6.314 -1.619 0.744 618 1HD LYS 85 2HD LYS 85 9.030 -0.425 1.035 619 2HD LYS 85 1HD LYS 85 8.713 -2.123 1.391 620 1HE LYS 85 2HE LYS 85 7.955 -2.453 -0.909 621 2HE LYS 85 1HE LYS 85 8.222 -0.744 -1.253 622 1HZ LYS 85 1HZ LYS 85 10.320 -2.700 -0.472 623 2HZ LYS 85 2HZ LYS 85 10.572 -1.056 -0.811 624 3HZ LYS 85 3HZ LYS 85 10.061 -2.103 -2.039 625 H TYR 86 H TYR 86 6.045 3.257 2.009 626 HA TYR 86 HA TYR 86 4.879 4.733 -0.244 627 1HB TYR 86 2HB TYR 86 4.020 5.319 2.022 628 2HB TYR 86 1HB TYR 86 5.656 5.748 2.504 629 HD1 TYR 86 HD1 TYR 86 4.077 6.496 -0.748 630 HD2 TYR 86 HD2 TYR 86 5.370 8.042 2.982 631 HE1 TYR 86 HE1 TYR 86 3.723 8.762 -1.572 632 HE2 TYR 86 HE2 TYR 86 5.021 10.330 2.153 633 HH TYR 86 HH TYR 86 4.909 11.504 0.035 634 H GLU 87 H GLU 87 6.510 4.851 -1.745 635 HA GLU 87 HA GLU 87 9.176 5.492 -0.715 636 1HB GLU 87 2HB GLU 87 8.900 3.278 -1.852 637 2HB GLU 87 1HB GLU 87 8.486 4.140 -3.323 638 1HG GLU 87 2HG GLU 87 10.649 5.080 -3.490 639 2HG GLU 87 1HG GLU 87 11.057 4.563 -1.857 640 H VAL 88 H VAL 88 9.912 7.398 -1.161 641 HA VAL 88 HA VAL 88 8.630 8.967 -3.297 642 HB VAL 88 HB VAL 88 9.552 9.863 -0.546 643 1HG1 VAL 88 1HG1 VAL 88 8.735 12.041 -1.054 644 2HG1 VAL 88 2HG1 VAL 88 8.092 11.492 -2.593 645 3HG1 VAL 88 3HG1 VAL 88 9.834 11.577 -2.355 646 1HG2 VAL 88 1HG2 VAL 88 7.203 10.170 -0.055 647 2HG2 VAL 88 2HG2 VAL 88 7.478 8.521 -0.599 648 3HG2 VAL 88 3HG2 VAL 88 6.771 9.700 -1.696 649 H SER 89 H SER 89 10.028 10.585 -4.261 650 HA SER 89 HA SER 89 12.728 9.697 -4.561 651 1HB SER 89 2HB SER 89 11.293 10.629 -6.385 652 2HB SER 89 1HB SER 89 11.496 12.221 -5.660 653 HG SER 89 HG SER 89 13.581 10.518 -6.578 654 H GLY 90 H GLY 90 11.927 10.544 -1.965 655 1HA GLY 90 2HA GLY 90 14.125 12.288 -1.325 656 2HA GLY 90 1HA GLY 90 12.537 12.954 -0.984 657 H LYS 91 H LYS 91 11.347 10.390 -0.285 658 HA LYS 91 HA LYS 91 12.842 9.536 2.065 659 1HB LYS 91 2HB LYS 91 10.316 11.072 2.115 660 2HB LYS 91 1HB LYS 91 10.413 9.698 3.201 661 1HG LYS 91 2HG LYS 91 12.542 11.776 3.102 662 2HG LYS 91 1HG LYS 91 11.117 11.962 4.120 663 1HD LYS 91 2HD LYS 91 13.188 9.762 4.236 664 2HD LYS 91 1HD LYS 91 12.943 11.043 5.423 665 1HE LYS 91 2HE LYS 91 10.621 10.119 5.764 666 2HE LYS 91 1HE LYS 91 11.106 8.745 4.774 667 1HZ LYS 91 1HZ LYS 91 13.001 8.481 6.421 668 2HZ LYS 91 2HZ LYS 91 11.449 8.073 6.970 669 3HZ LYS 91 3HZ LYS 91 12.145 9.551 7.425 670 H THR 92 H THR 92 11.457 7.929 3.294 671 HA THR 92 HA THR 92 9.644 6.352 1.658 672 HB THR 92 HB THR 92 11.950 4.933 2.976 673 HG1 THR 92 HG1 THR 92 11.969 6.373 0.669 674 1HG2 THR 92 1HG2 THR 92 9.992 3.558 2.541 675 2HG2 THR 92 2HG2 THR 92 11.294 3.110 1.436 676 3HG2 THR 92 3HG2 THR 92 9.956 4.106 0.865 677 H TYR 93 H TYR 93 8.191 5.189 2.868 678 HA TYR 93 HA TYR 93 8.581 4.938 5.754 679 1HB TYR 93 2HB TYR 93 5.974 6.020 4.660 680 2HB TYR 93 1HB TYR 93 6.423 5.828 6.345 681 HD1 TYR 93 HD1 TYR 93 6.977 7.741 3.333 682 HD2 TYR 93 HD2 TYR 93 7.615 7.553 7.506 683 HE1 TYR 93 HE1 TYR 93 7.667 10.117 3.311 684 HE2 TYR 93 HE2 TYR 93 8.320 9.914 7.526 685 HH TYR 93 HH TYR 93 8.977 11.657 6.196 686 H TYR 94 H TYR 94 6.210 3.919 6.444 687 HA TYR 94 HA TYR 94 5.540 1.733 4.628 688 1HB TYR 94 2HB TYR 94 6.595 1.314 7.434 689 2HB TYR 94 1HB TYR 94 5.782 0.074 6.496 690 HD1 TYR 94 HD1 TYR 94 6.986 0.041 3.927 691 HD2 TYR 94 HD2 TYR 94 8.808 0.902 7.669 692 HE1 TYR 94 HE1 TYR 94 9.149 -0.736 3.048 693 HE2 TYR 94 HE2 TYR 94 10.977 0.149 6.798 694 HH TYR 94 HH TYR 94 11.852 -1.303 5.060 695 H ASP 95 H ASP 95 3.406 1.224 4.766 696 HA ASP 95 HA ASP 95 2.011 1.861 7.289 697 1HB ASP 95 2HB ASP 95 0.949 2.907 5.310 698 2HB ASP 95 1HB ASP 95 0.796 1.322 4.557 699 H ASN 96 H ASN 96 2.106 0.102 8.560 700 HA ASN 96 HA ASN 96 1.449 -2.493 7.465 701 1HB ASN 96 2HB ASN 96 3.845 -2.275 6.963 702 2HB ASN 96 1HB ASN 96 4.171 -1.966 8.664 703 1HD2 ASN 96 1HD2 ASN 96 5.565 -3.735 8.658 704 2HD2 ASN 96 2HD2 ASN 96 4.955 -5.358 8.746 705 H ASN 97 H ASN 97 -0.257 -2.204 8.949 706 HA ASN 97 HA ASN 97 -1.408 -2.619 10.827 707 1HB ASN 97 2HB ASN 97 -1.210 -4.821 11.611 708 2HB ASN 97 1HB ASN 97 -0.671 -4.849 9.946 709 1HD2 ASN 97 1HD2 ASN 97 -0.265 -6.674 12.199 710 2HD2 ASN 97 2HD2 ASN 97 1.461 -6.860 12.354 711 H ASN 98 H ASN 98 1.885 -3.244 12.022 712 HA ASN 98 HA ASN 98 1.657 -1.278 14.085 713 1HB ASN 98 2HB ASN 98 0.302 -3.131 15.077 714 2HB ASN 98 1HB ASN 98 1.693 -4.198 14.919 715 1HD2 ASN 98 1HD2 ASN 98 1.822 -4.578 17.109 716 2HD2 ASN 98 2HD2 ASN 98 2.381 -3.379 18.231 717 H SER 99 H SER 99 3.199 -4.334 13.170 718 HA SER 99 HA SER 99 5.604 -3.104 12.396 719 1HB SER 99 2HB SER 99 7.050 -4.170 14.209 720 2HB SER 99 1HB SER 99 6.102 -2.764 14.699 721 HG SER 99 HG SER 99 5.520 -4.112 16.245 722 H ALA 100 H ALA 100 3.591 -5.324 11.706 723 HA ALA 100 HA ALA 100 5.592 -7.438 11.281 724 1HB ALA 100 1HB ALA 100 2.735 -8.120 11.816 725 2HB ALA 100 2HB ALA 100 3.862 -7.827 13.134 726 3HB ALA 100 3HB ALA 100 4.177 -9.127 11.982 727 H ASN 101 H ASN 101 2.180 -7.385 10.358 728 HA ASN 101 HA ASN 101 2.554 -7.100 7.549 729 1HB ASN 101 2HB ASN 101 2.677 -9.856 8.717 730 2HB ASN 101 1HB ASN 101 1.821 -9.619 7.200 731 1HD2 ASN 101 1HD2 ASN 101 3.000 -8.875 5.383 732 2HD2 ASN 101 2HD2 ASN 101 4.707 -9.110 5.280 733 H TYR 102 H TYR 102 0.599 -7.007 6.506 734 HA TYR 102 HA TYR 102 -1.806 -7.266 8.105 735 1HB TYR 102 2HB TYR 102 -1.353 -6.516 5.212 736 2HB TYR 102 1HB TYR 102 -2.946 -6.638 5.942 737 HD1 TYR 102 HD1 TYR 102 -0.167 -4.517 5.297 738 HD2 TYR 102 HD2 TYR 102 -3.423 -5.131 7.964 739 HE1 TYR 102 HE1 TYR 102 -0.025 -2.170 6.006 740 HE2 TYR 102 HE2 TYR 102 -3.289 -2.786 8.678 741 HH TYR 102 HH TYR 102 -1.501 -0.443 7.019 742 H GLN 103 H GLN 103 -2.864 -9.138 8.290 743 HA GLN 103 HA GLN 103 -2.286 -11.373 6.570 744 1HB GLN 103 2HB GLN 103 -4.321 -10.967 8.771 745 2HB GLN 103 1HB GLN 103 -4.224 -12.433 7.823 746 1HG GLN 103 2HG GLN 103 -3.145 -12.724 9.952 747 2HG GLN 103 1HG GLN 103 -1.981 -12.852 8.637 748 1HE2 GLN 103 1HE2 GLN 103 -0.414 -11.360 8.427 749 2HE2 GLN 103 2HE2 GLN 103 -0.057 -10.162 9.634 750 H VAL 104 H VAL 104 -3.192 -11.704 4.640 751 HA VAL 104 HA VAL 104 -5.392 -10.064 3.761 752 HB VAL 104 HB VAL 104 -4.130 -12.440 2.376 753 1HG1 VAL 104 1HG1 VAL 104 -5.025 -11.418 0.326 754 2HG1 VAL 104 2HG1 VAL 104 -5.826 -10.189 1.305 755 3HG1 VAL 104 3HG1 VAL 104 -6.300 -11.882 1.451 756 1HG2 VAL 104 1HG2 VAL 104 -3.500 -9.512 2.066 757 2HG2 VAL 104 2HG2 VAL 104 -2.772 -10.843 1.169 758 3HG2 VAL 104 3HG2 VAL 104 -2.490 -10.691 2.902 759 H SER 105 H SER 105 -7.506 -10.582 3.689 760 HA SER 105 HA SER 105 -8.403 -12.839 5.185 761 1HB SER 105 2HB SER 105 -10.014 -10.876 3.535 762 2HB SER 105 1HB SER 105 -10.650 -11.974 4.759 763 HG SER 105 HG SER 105 -8.755 -10.671 5.977 764 H THR 106 H THR 106 -7.361 -14.461 3.804 765 HA THR 106 HA THR 106 -9.062 -15.171 1.509 766 HB THR 106 HB THR 106 -6.301 -16.268 2.086 767 HG1 THR 106 HG1 THR 106 -7.105 -13.994 0.573 768 1HG2 THR 106 1HG2 THR 106 -7.928 -16.136 -0.456 769 2HG2 THR 106 2HG2 THR 106 -7.744 -17.568 0.557 770 3HG2 THR 106 3HG2 THR 106 -6.341 -16.884 -0.268 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -13.136 8.627 3.260 2 2H ALA 1 2H ALA 1 -11.934 9.812 3.441 3 3H ALA 1 3H ALA 1 -13.522 10.139 3.923 4 HA ALA 1 HA ALA 1 -13.412 8.581 5.689 5 1HB ALA 1 1HB ALA 1 -11.386 7.287 6.135 6 2HB ALA 1 2HB ALA 1 -10.644 7.940 4.674 7 3HB ALA 1 3HB ALA 1 -12.061 6.897 4.552 8 H SER 2 H SER 2 -11.642 8.712 7.620 9 HA SER 2 HA SER 2 -11.379 11.449 8.261 10 1HB SER 2 2HB SER 2 -9.957 9.101 9.538 11 2HB SER 2 1HB SER 2 -10.276 10.672 10.273 12 HG SER 2 HG SER 2 -11.832 9.246 10.994 13 H ILE 3 H ILE 3 -9.363 12.589 8.753 14 HA ILE 3 HA ILE 3 -7.316 11.954 6.741 15 HB ILE 3 HB ILE 3 -7.885 14.584 8.128 16 1HG1 ILE 3 2HG1 ILE 3 -8.288 15.296 5.688 17 2HG1 ILE 3 1HG1 ILE 3 -8.386 13.577 5.332 18 1HG2 ILE 3 1HG2 ILE 3 -5.833 13.954 6.009 19 2HG2 ILE 3 2HG2 ILE 3 -5.493 14.272 7.709 20 3HG2 ILE 3 3HG2 ILE 3 -6.168 15.544 6.694 21 1HD1 ILE 3 1HD1 ILE 3 -10.590 14.574 5.611 22 2HD1 ILE 3 2HD1 ILE 3 -10.162 15.078 7.246 23 3HD1 ILE 3 3HD1 ILE 3 -10.276 13.363 6.853 24 HA PRO 4 HA PRO 4 -4.816 10.804 10.344 25 1HB PRO 4 2HB PRO 4 -2.833 9.716 8.833 26 2HB PRO 4 1HB PRO 4 -4.315 8.847 9.250 27 1HG PRO 4 2HG PRO 4 -3.631 10.325 6.722 28 2HG PRO 4 1HG PRO 4 -4.384 8.724 6.916 29 1HD PRO 4 2HD PRO 4 -5.838 10.912 6.377 30 2HD PRO 4 1HD PRO 4 -6.450 9.624 7.434 31 H SER 5 H SER 5 -3.141 11.865 11.282 32 HA SER 5 HA SER 5 -1.515 13.643 9.583 33 1HB SER 5 2HB SER 5 -3.301 14.819 10.990 34 2HB SER 5 1HB SER 5 -2.363 14.333 12.401 35 HG SER 5 HG SER 5 -1.894 16.318 10.564 36 H SER 6 H SER 6 -1.673 11.181 11.885 37 HA SER 6 HA SER 6 0.972 11.635 12.994 38 1HB SER 6 2HB SER 6 -0.898 9.292 13.398 39 2HB SER 6 1HB SER 6 0.486 9.730 14.401 40 HG SER 6 HG SER 6 -0.802 10.972 15.473 41 H ALA 7 H ALA 7 -0.231 10.305 10.206 42 HA ALA 7 HA ALA 7 2.066 8.495 9.926 43 1HB ALA 7 1HB ALA 7 0.732 6.787 9.420 44 2HB ALA 7 2HB ALA 7 -0.152 7.752 8.241 45 3HB ALA 7 3HB ALA 7 -0.633 7.775 9.939 46 H SER 8 H SER 8 2.759 8.186 7.695 47 HA SER 8 HA SER 8 2.439 10.611 6.093 48 1HB SER 8 2HB SER 8 4.189 8.269 5.357 49 2HB SER 8 1HB SER 8 4.402 9.974 4.967 50 HG SER 8 HG SER 8 4.703 10.272 7.306 51 H VAL 9 H VAL 9 1.584 7.270 6.215 52 HA VAL 9 HA VAL 9 -0.213 7.612 3.973 53 HB VAL 9 HB VAL 9 1.644 6.793 2.746 54 1HG1 VAL 9 1HG1 VAL 9 2.643 4.533 3.523 55 2HG1 VAL 9 2HG1 VAL 9 2.063 5.044 5.112 56 3HG1 VAL 9 3HG1 VAL 9 3.213 6.043 4.222 57 1HG2 VAL 9 1HG2 VAL 9 -0.430 5.645 2.182 58 2HG2 VAL 9 2HG2 VAL 9 -0.100 4.420 3.407 59 3HG2 VAL 9 3HG2 VAL 9 0.952 4.562 1.999 60 H GLN 10 H GLN 10 -1.929 6.227 4.015 61 HA GLN 10 HA GLN 10 -2.134 4.334 6.248 62 1HB GLN 10 2HB GLN 10 -3.184 6.415 6.963 63 2HB GLN 10 1HB GLN 10 -4.116 6.485 5.477 64 1HG GLN 10 2HG GLN 10 -5.215 4.349 6.175 65 2HG GLN 10 1HG GLN 10 -4.402 4.526 7.732 66 1HE2 GLN 10 1HE2 GLN 10 -4.965 6.255 9.071 67 2HE2 GLN 10 2HE2 GLN 10 -6.462 7.104 8.886 68 H LEU 11 H LEU 11 -2.863 2.401 5.517 69 HA LEU 11 HA LEU 11 -3.818 2.085 2.852 70 1HB LEU 11 2HB LEU 11 -2.660 0.298 4.127 71 2HB LEU 11 1HB LEU 11 -4.070 0.165 5.162 72 HG LEU 11 HG LEU 11 -5.428 -0.406 3.107 73 1HD1 LEU 11 1HD1 LEU 11 -4.278 -1.075 1.115 74 2HD1 LEU 11 2HD1 LEU 11 -2.711 -0.728 1.838 75 3HD1 LEU 11 3HD1 LEU 11 -3.834 0.588 1.495 76 1HD2 LEU 11 1HD2 LEU 11 -4.609 -2.712 3.023 77 2HD2 LEU 11 2HD2 LEU 11 -4.644 -2.106 4.678 78 3HD2 LEU 11 3HD2 LEU 11 -3.113 -2.217 3.812 79 H ASP 12 H ASP 12 -5.815 2.107 2.075 80 HA ASP 12 HA ASP 12 -8.004 2.908 3.770 81 1HB ASP 12 2HB ASP 12 -7.786 3.859 1.532 82 2HB ASP 12 1HB ASP 12 -7.890 2.273 0.809 83 H SER 13 H SER 13 -7.556 0.312 1.420 84 HA SER 13 HA SER 13 -8.343 -1.849 2.985 85 1HB SER 13 2HB SER 13 -10.689 -2.208 2.215 86 2HB SER 13 1HB SER 13 -10.509 -0.800 3.260 87 HG SER 13 HG SER 13 -10.560 0.520 1.430 88 H TYR 14 H TYR 14 -9.083 -3.721 1.747 89 HA TYR 14 HA TYR 14 -8.544 -3.799 -1.086 90 1HB TYR 14 2HB TYR 14 -6.661 -5.394 -0.850 91 2HB TYR 14 1HB TYR 14 -6.267 -3.799 -0.216 92 HD1 TYR 14 HD1 TYR 14 -6.864 -7.269 0.593 93 HD2 TYR 14 HD2 TYR 14 -6.017 -3.454 2.207 94 HE1 TYR 14 HE1 TYR 14 -6.210 -8.334 2.691 95 HE2 TYR 14 HE2 TYR 14 -5.371 -4.490 4.341 96 HH TYR 14 HH TYR 14 -4.864 -7.861 4.662 97 H ASN 15 H ASN 15 -8.823 -6.097 -1.879 98 HA ASN 15 HA ASN 15 -10.164 -7.882 -0.036 99 1HB ASN 15 2HB ASN 15 -11.937 -6.269 -0.739 100 2HB ASN 15 1HB ASN 15 -11.689 -6.773 -2.404 101 1HD2 ASN 15 1HD2 ASN 15 -12.863 -7.725 0.739 102 2HD2 ASN 15 2HD2 ASN 15 -13.788 -9.088 0.195 103 H TYR 16 H TYR 16 -10.889 -9.888 -1.150 104 HA TYR 16 HA TYR 16 -9.172 -10.560 -3.442 105 1HB TYR 16 2HB TYR 16 -8.215 -11.276 -1.163 106 2HB TYR 16 1HB TYR 16 -9.568 -12.396 -1.090 107 HD1 TYR 16 HD1 TYR 16 -6.530 -11.531 -2.990 108 HD2 TYR 16 HD2 TYR 16 -9.530 -14.456 -2.272 109 HE1 TYR 16 HE1 TYR 16 -5.219 -13.174 -4.248 110 HE2 TYR 16 HE2 TYR 16 -8.226 -16.112 -3.544 111 HH TYR 16 HH TYR 16 -4.995 -15.642 -4.374 112 H ASP 17 H ASP 17 -9.968 -12.262 -4.726 113 HA ASP 17 HA ASP 17 -12.270 -13.780 -4.170 114 1HB ASP 17 2HB ASP 17 -13.322 -11.488 -4.389 115 2HB ASP 17 1HB ASP 17 -12.827 -11.499 -6.078 116 H GLY 18 H GLY 18 -11.920 -15.538 -5.351 117 1HA GLY 18 2HA GLY 18 -11.218 -16.917 -7.059 118 2HA GLY 18 1HA GLY 18 -11.478 -15.556 -8.148 119 H SER 19 H SER 19 -9.744 -14.545 -8.984 120 HA SER 19 HA SER 19 -7.299 -14.536 -7.365 121 1HB SER 19 2HB SER 19 -6.887 -16.118 -9.190 122 2HB SER 19 1HB SER 19 -7.445 -14.932 -10.369 123 HG SER 19 HG SER 19 -5.116 -14.815 -8.744 124 H THR 20 H THR 20 -8.227 -12.552 -6.675 125 HA THR 20 HA THR 20 -7.204 -10.395 -8.315 126 HB THR 20 HB THR 20 -9.975 -10.238 -7.097 127 HG1 THR 20 HG1 THR 20 -9.421 -11.387 -9.291 128 1HG2 THR 20 1HG2 THR 20 -8.557 -8.141 -7.119 129 2HG2 THR 20 2HG2 THR 20 -10.094 -8.034 -7.980 130 3HG2 THR 20 3HG2 THR 20 -8.593 -8.240 -8.882 131 H PHE 21 H PHE 21 -6.037 -9.025 -7.063 132 HA PHE 21 HA PHE 21 -6.904 -8.695 -4.280 133 1HB PHE 21 2HB PHE 21 -4.706 -10.101 -4.635 134 2HB PHE 21 1HB PHE 21 -3.983 -8.521 -4.935 135 HD1 PHE 21 HD1 PHE 21 -3.123 -7.370 -3.141 136 HD2 PHE 21 HD2 PHE 21 -6.211 -10.213 -2.489 137 HE1 PHE 21 HE1 PHE 21 -2.978 -6.978 -0.708 138 HE2 PHE 21 HE2 PHE 21 -6.055 -9.840 -0.068 139 HZ PHE 21 HZ PHE 21 -4.434 -8.218 0.822 140 H SER 22 H SER 22 -7.744 -6.810 -4.346 141 HA SER 22 HA SER 22 -6.309 -4.605 -5.608 142 1HB SER 22 2HB SER 22 -7.953 -5.590 -7.252 143 2HB SER 22 1HB SER 22 -9.241 -5.144 -6.126 144 HG SER 22 HG SER 22 -7.397 -3.190 -6.965 145 H GLY 23 H GLY 23 -7.434 -2.515 -5.108 146 1HA GLY 23 2HA GLY 23 -9.186 -1.947 -3.129 147 2HA GLY 23 1HA GLY 23 -7.720 -2.382 -2.250 148 H LYS 24 H LYS 24 -7.535 -0.202 -1.481 149 HA LYS 24 HA LYS 24 -6.045 1.407 -3.328 150 1HB LYS 24 2HB LYS 24 -7.468 3.460 -2.901 151 2HB LYS 24 1HB LYS 24 -8.069 2.269 -4.047 152 1HG LYS 24 2HG LYS 24 -8.954 2.051 -1.232 153 2HG LYS 24 1HG LYS 24 -9.599 3.387 -2.190 154 1HD LYS 24 2HD LYS 24 -10.194 1.682 -3.957 155 2HD LYS 24 1HD LYS 24 -9.802 0.434 -2.775 156 1HE LYS 24 2HE LYS 24 -11.801 2.609 -2.230 157 2HE LYS 24 1HE LYS 24 -12.245 1.091 -3.004 158 1HZ LYS 24 1HZ LYS 24 -12.656 0.980 -0.656 159 2HZ LYS 24 2HZ LYS 24 -11.055 1.406 -0.300 160 3HZ LYS 24 3HZ LYS 24 -11.395 -0.082 -1.048 161 H ILE 25 H ILE 25 -5.637 3.653 -2.205 162 HA ILE 25 HA ILE 25 -4.652 3.073 0.497 163 HB ILE 25 HB ILE 25 -2.920 3.905 -1.846 164 1HG1 ILE 25 2HG1 ILE 25 -2.775 1.413 -0.171 165 2HG1 ILE 25 1HG1 ILE 25 -3.584 1.500 -1.733 166 1HG2 ILE 25 1HG2 ILE 25 -1.142 4.204 -0.454 167 2HG2 ILE 25 2HG2 ILE 25 -1.817 3.191 0.818 168 3HG2 ILE 25 3HG2 ILE 25 -2.445 4.824 0.560 169 1HD1 ILE 25 1HD1 ILE 25 -1.641 1.607 -2.888 170 2HD1 ILE 25 2HD1 ILE 25 -1.097 0.708 -1.476 171 3HD1 ILE 25 3HD1 ILE 25 -0.785 2.431 -1.584 172 H TYR 26 H TYR 26 -3.919 4.935 1.629 173 HA TYR 26 HA TYR 26 -5.002 7.492 0.621 174 1HB TYR 26 2HB TYR 26 -6.459 6.093 2.221 175 2HB TYR 26 1HB TYR 26 -5.258 6.460 3.448 176 HD1 TYR 26 HD1 TYR 26 -4.761 9.011 3.761 177 HD2 TYR 26 HD2 TYR 26 -8.301 7.436 2.032 178 HE1 TYR 26 HE1 TYR 26 -5.974 11.074 4.373 179 HE2 TYR 26 HE2 TYR 26 -9.518 9.490 2.603 180 HH TYR 26 HH TYR 26 -7.936 12.327 3.684 181 H VAL 27 H VAL 27 -3.065 8.701 0.413 182 HA VAL 27 HA VAL 27 -1.251 8.730 2.706 183 HB VAL 27 HB VAL 27 -0.098 7.061 1.671 184 1HG1 VAL 27 1HG1 VAL 27 -1.592 6.827 -0.213 185 2HG1 VAL 27 2HG1 VAL 27 0.087 6.748 -0.739 186 3HG1 VAL 27 3HG1 VAL 27 -0.847 8.219 -0.998 187 1HG2 VAL 27 1HG2 VAL 27 1.019 9.424 0.170 188 2HG2 VAL 27 2HG2 VAL 27 1.851 7.908 0.523 189 3HG2 VAL 27 3HG2 VAL 27 1.413 9.000 1.836 190 H LYS 28 H LYS 28 0.145 10.466 2.880 191 HA LYS 28 HA LYS 28 -0.777 12.850 1.454 192 1HB LYS 28 2HB LYS 28 0.162 14.115 3.305 193 2HB LYS 28 1HB LYS 28 -0.926 12.874 3.904 194 1HG LYS 28 2HG LYS 28 0.998 11.468 4.469 195 2HG LYS 28 1HG LYS 28 2.084 12.729 3.883 196 1HD LYS 28 2HD LYS 28 0.091 13.082 6.120 197 2HD LYS 28 1HD LYS 28 1.805 12.727 6.348 198 1HE LYS 28 2HE LYS 28 2.423 14.803 5.301 199 2HE LYS 28 1HE LYS 28 0.744 15.137 4.879 200 1HZ LYS 28 1HZ LYS 28 1.827 14.945 7.642 201 2HZ LYS 28 2HZ LYS 28 0.216 15.280 7.231 202 3HZ LYS 28 3HZ LYS 28 1.439 16.377 6.828 203 H ASN 29 H ASN 29 0.674 14.440 0.758 204 HA ASN 29 HA ASN 29 3.053 13.444 -0.468 205 1HB ASN 29 2HB ASN 29 3.321 15.766 -1.300 206 2HB ASN 29 1HB ASN 29 1.722 15.101 -1.635 207 1HD2 ASN 29 1HD2 ASN 29 2.754 17.887 -1.371 208 2HD2 ASN 29 2HD2 ASN 29 1.720 18.646 -0.207 209 H ILE 30 H ILE 30 4.864 13.089 0.692 210 HA ILE 30 HA ILE 30 5.718 14.867 2.791 211 HB ILE 30 HB ILE 30 7.429 12.924 1.221 212 1HG1 ILE 30 2HG1 ILE 30 5.637 11.652 2.187 213 2HG1 ILE 30 1HG1 ILE 30 7.078 11.386 3.159 214 1HG2 ILE 30 1HG2 ILE 30 8.699 14.577 2.471 215 2HG2 ILE 30 2HG2 ILE 30 8.881 12.977 3.190 216 3HG2 ILE 30 3HG2 ILE 30 7.816 14.164 3.941 217 1HD1 ILE 30 1HD1 ILE 30 5.031 11.641 4.486 218 2HD1 ILE 30 2HD1 ILE 30 4.857 13.285 3.869 219 3HD1 ILE 30 3HD1 ILE 30 6.250 12.860 4.867 220 H ALA 31 H ALA 31 6.957 14.140 -0.467 221 HA ALA 31 HA ALA 31 7.897 16.893 -0.690 222 1HB ALA 31 1HB ALA 31 9.160 16.155 -2.627 223 2HB ALA 31 2HB ALA 31 8.452 14.552 -2.469 224 3HB ALA 31 3HB ALA 31 9.527 15.159 -1.216 225 H TYR 32 H TYR 32 6.945 14.881 -3.399 226 HA TYR 32 HA TYR 32 4.274 15.881 -3.552 227 1HB TYR 32 2HB TYR 32 5.718 17.788 -4.477 228 2HB TYR 32 1HB TYR 32 6.078 16.714 -5.828 229 HD1 TYR 32 HD1 TYR 32 3.008 17.622 -3.913 230 HD2 TYR 32 HD2 TYR 32 4.853 17.246 -7.728 231 HE1 TYR 32 HE1 TYR 32 0.913 18.329 -4.988 232 HE2 TYR 32 HE2 TYR 32 2.760 17.950 -8.815 233 HH TYR 32 HH TYR 32 0.113 19.269 -7.027 234 H SER 33 H SER 33 6.717 14.859 -5.936 235 HA SER 33 HA SER 33 4.942 12.825 -6.958 236 1HB SER 33 2HB SER 33 7.821 13.477 -7.654 237 2HB SER 33 1HB SER 33 6.772 12.359 -8.546 238 HG SER 33 HG SER 33 5.334 14.441 -8.490 239 H LYS 34 H LYS 34 4.884 10.761 -6.327 240 HA LYS 34 HA LYS 34 6.942 9.852 -4.436 241 1HB LYS 34 2HB LYS 34 4.036 9.084 -4.384 242 2HB LYS 34 1HB LYS 34 5.234 8.848 -3.132 243 1HG LYS 34 2HG LYS 34 5.254 11.188 -2.636 244 2HG LYS 34 1HG LYS 34 4.214 11.515 -4.024 245 1HD LYS 34 2HD LYS 34 2.535 9.942 -2.930 246 2HD LYS 34 1HD LYS 34 3.529 10.076 -1.479 247 1HE LYS 34 2HE LYS 34 1.703 11.653 -1.381 248 2HE LYS 34 1HE LYS 34 3.234 12.512 -1.530 249 1HZ LYS 34 1HZ LYS 34 2.805 12.985 -3.791 250 2HZ LYS 34 2HZ LYS 34 1.369 13.343 -2.954 251 3HZ LYS 34 3HZ LYS 34 1.495 11.913 -3.849 252 H LYS 35 H LYS 35 6.785 7.444 -4.110 253 HA LYS 35 HA LYS 35 5.809 5.998 -6.496 254 1HB LYS 35 2HB LYS 35 7.997 5.172 -4.574 255 2HB LYS 35 1HB LYS 35 7.370 4.184 -5.877 256 1HG LYS 35 2HG LYS 35 8.243 5.840 -7.490 257 2HG LYS 35 1HG LYS 35 8.971 6.717 -6.132 258 1HD LYS 35 2HD LYS 35 10.129 4.609 -5.481 259 2HD LYS 35 1HD LYS 35 9.512 3.863 -6.950 260 1HE LYS 35 2HE LYS 35 10.735 5.507 -8.286 261 2HE LYS 35 1HE LYS 35 11.351 6.243 -6.804 262 1HZ LYS 35 1HZ LYS 35 12.990 4.750 -7.692 263 2HZ LYS 35 2HZ LYS 35 11.874 3.475 -7.756 264 3HZ LYS 35 3HZ LYS 35 12.376 4.086 -6.257 265 H VAL 36 H VAL 36 4.256 4.460 -6.040 266 HA VAL 36 HA VAL 36 4.165 3.579 -3.249 267 HB VAL 36 HB VAL 36 1.715 4.154 -4.924 268 1HG1 VAL 36 1HG1 VAL 36 0.518 3.339 -2.882 269 2HG1 VAL 36 2HG1 VAL 36 2.063 2.789 -2.283 270 3HG1 VAL 36 3HG1 VAL 36 1.396 2.079 -3.743 271 1HG2 VAL 36 1HG2 VAL 36 2.778 6.066 -3.787 272 2HG2 VAL 36 2HG2 VAL 36 2.617 5.226 -2.249 273 3HG2 VAL 36 3HG2 VAL 36 1.179 5.710 -3.150 274 H THR 37 H THR 37 4.662 1.635 -3.117 275 HA THR 37 HA THR 37 3.936 -0.224 -5.268 276 HB THR 37 HB THR 37 6.287 -1.252 -4.654 277 HG1 THR 37 HG1 THR 37 6.602 1.531 -4.115 278 1HG2 THR 37 1HG2 THR 37 5.716 1.035 -6.516 279 2HG2 THR 37 2HG2 THR 37 5.774 -0.688 -6.888 280 3HG2 THR 37 3HG2 THR 37 7.260 0.185 -6.511 281 H VAL 38 H VAL 38 3.301 -2.175 -4.615 282 HA VAL 38 HA VAL 38 2.951 -2.541 -1.726 283 HB VAL 38 HB VAL 38 1.788 -4.090 -4.052 284 1HG1 VAL 38 1HG1 VAL 38 0.519 -5.357 -2.464 285 2HG1 VAL 38 2HG1 VAL 38 1.237 -4.497 -1.120 286 3HG1 VAL 38 3HG1 VAL 38 2.232 -5.549 -2.119 287 1HG2 VAL 38 1HG2 VAL 38 -0.327 -3.396 -2.835 288 2HG2 VAL 38 2HG2 VAL 38 0.446 -2.245 -3.937 289 3HG2 VAL 38 3HG2 VAL 38 0.652 -2.077 -2.185 290 H VAL 39 H VAL 39 4.115 -3.939 -0.640 291 HA VAL 39 HA VAL 39 5.311 -6.143 -2.189 292 HB VAL 39 HB VAL 39 6.784 -6.569 -0.132 293 1HG1 VAL 39 1HG1 VAL 39 7.520 -5.717 -2.363 294 2HG1 VAL 39 2HG1 VAL 39 8.528 -5.209 -1.015 295 3HG1 VAL 39 3HG1 VAL 39 7.380 -4.077 -1.726 296 1HG2 VAL 39 1HG2 VAL 39 5.946 -5.147 1.518 297 2HG2 VAL 39 2HG2 VAL 39 5.814 -3.781 0.418 298 3HG2 VAL 39 3HG2 VAL 39 7.403 -4.318 0.968 299 H TYR 40 H TYR 40 3.956 -7.719 -2.109 300 HA TYR 40 HA TYR 40 2.495 -8.112 0.368 301 1HB TYR 40 2HB TYR 40 0.690 -8.808 -1.287 302 2HB TYR 40 1HB TYR 40 1.084 -7.097 -1.224 303 HD1 TYR 40 HD1 TYR 40 0.470 -9.635 -3.192 304 HD2 TYR 40 HD2 TYR 40 3.064 -6.433 -3.094 305 HE1 TYR 40 HE1 TYR 40 0.706 -9.886 -5.632 306 HE2 TYR 40 HE2 TYR 40 3.382 -6.574 -5.529 307 HH TYR 40 HH TYR 40 3.185 -8.256 -7.312 308 H ALA 41 H ALA 41 2.681 -10.023 1.228 309 HA ALA 41 HA ALA 41 4.615 -11.794 0.082 310 1HB ALA 41 1HB ALA 41 4.805 -12.738 2.151 311 2HB ALA 41 2HB ALA 41 3.141 -12.390 2.594 312 3HB ALA 41 3HB ALA 41 4.329 -11.091 2.549 313 H ASP 42 H ASP 42 4.364 -13.653 -0.754 314 HA ASP 42 HA ASP 42 1.932 -14.156 -2.107 315 1HB ASP 42 2HB ASP 42 4.475 -14.586 -2.733 316 2HB ASP 42 1HB ASP 42 4.145 -16.166 -2.037 317 H GLY 43 H GLY 43 1.375 -16.660 -2.341 318 1HA GLY 43 2HA GLY 43 0.048 -17.365 0.081 319 2HA GLY 43 1HA GLY 43 0.117 -18.330 -1.387 320 H SER 44 H SER 44 3.219 -17.689 -0.721 321 HA SER 44 HA SER 44 3.862 -20.233 0.300 322 1HB SER 44 2HB SER 44 5.563 -17.734 0.375 323 2HB SER 44 1HB SER 44 6.127 -19.407 0.376 324 HG SER 44 HG SER 44 6.182 -19.190 -1.712 325 H ASP 45 H ASP 45 2.976 -17.223 1.724 326 HA ASP 45 HA ASP 45 2.480 -16.594 3.846 327 1HB ASP 45 2HB ASP 45 1.419 -18.924 3.852 328 2HB ASP 45 1HB ASP 45 2.867 -19.475 4.684 329 H ASN 46 H ASN 46 5.001 -16.321 2.883 330 HA ASN 46 HA ASN 46 6.693 -16.045 5.134 331 1HB ASN 46 2HB ASN 46 6.770 -18.552 4.889 332 2HB ASN 46 1HB ASN 46 7.377 -18.332 3.254 333 1HD2 ASN 46 1HD2 ASN 46 8.549 -19.664 5.586 334 2HD2 ASN 46 2HD2 ASN 46 10.094 -18.923 5.827 335 H TRP 47 H TRP 47 8.503 -14.703 4.438 336 HA TRP 47 HA TRP 47 7.939 -13.777 1.785 337 1HB TRP 47 2HB TRP 47 8.300 -12.283 3.983 338 2HB TRP 47 1HB TRP 47 9.935 -12.230 3.274 339 HD1 TRP 47 HD1 TRP 47 9.630 -12.183 0.400 340 HE1 TRP 47 HE1 TRP 47 8.227 -10.481 -0.952 341 HE3 TRP 47 HE3 TRP 47 6.618 -10.486 4.139 342 HZ2 TRP 47 HZ2 TRP 47 6.099 -8.738 -0.447 343 HZ3 TRP 47 HZ3 TRP 47 4.955 -8.814 3.607 344 HH2 TRP 47 HH2 TRP 47 4.691 -7.963 1.370 345 H ASN 48 H ASN 48 8.831 -15.507 0.706 346 HA ASN 48 HA ASN 48 11.552 -16.023 0.386 347 1HB ASN 48 2HB ASN 48 9.871 -17.288 -0.836 348 2HB ASN 48 1HB ASN 48 9.313 -15.834 -1.657 349 1HD2 ASN 48 1HD2 ASN 48 9.664 -16.560 -3.698 350 2HD2 ASN 48 2HD2 ASN 48 11.255 -16.861 -4.346 351 H ASN 49 H ASN 49 13.221 -14.823 -0.466 352 HA ASN 49 HA ASN 49 12.782 -12.012 -0.683 353 1HB ASN 49 2HB ASN 49 14.868 -13.013 0.265 354 2HB ASN 49 1HB ASN 49 15.320 -13.502 -1.373 355 1HD2 ASN 49 1HD2 ASN 49 17.157 -12.220 -1.370 356 2HD2 ASN 49 2HD2 ASN 49 17.080 -10.493 -1.485 357 H ASN 50 H ASN 50 11.183 -12.410 -2.423 358 HA ASN 50 HA ASN 50 12.465 -12.114 -5.062 359 1HB ASN 50 2HB ASN 50 10.729 -13.933 -4.791 360 2HB ASN 50 1HB ASN 50 9.542 -12.665 -4.443 361 1HD2 ASN 50 1HD2 ASN 50 8.258 -13.011 -6.176 362 2HD2 ASN 50 2HD2 ASN 50 8.757 -12.728 -7.831 363 H GLY 51 H GLY 51 10.859 -10.604 -2.508 364 1HA GLY 51 2HA GLY 51 10.538 -8.302 -2.205 365 2HA GLY 51 1HA GLY 51 10.657 -8.083 -3.951 366 H ASN 52 H ASN 52 8.905 -9.517 -5.064 367 HA ASN 52 HA ASN 52 6.751 -9.696 -5.708 368 1HB ASN 52 2HB ASN 52 6.324 -9.888 -2.719 369 2HB ASN 52 1HB ASN 52 5.057 -10.161 -3.908 370 1HD2 ASN 52 1HD2 ASN 52 6.259 -11.950 -1.916 371 2HD2 ASN 52 2HD2 ASN 52 6.813 -13.329 -2.807 372 H ILE 53 H ILE 53 6.997 -7.514 -6.504 373 HA ILE 53 HA ILE 53 5.630 -5.515 -4.845 374 HB ILE 53 HB ILE 53 8.020 -5.107 -5.658 375 1HG1 ILE 53 2HG1 ILE 53 7.398 -2.669 -6.265 376 2HG1 ILE 53 1HG1 ILE 53 5.744 -3.191 -5.972 377 1HG2 ILE 53 1HG2 ILE 53 6.795 -4.098 -8.172 378 2HG2 ILE 53 2HG2 ILE 53 7.251 -5.790 -8.062 379 3HG2 ILE 53 3HG2 ILE 53 8.471 -4.539 -7.837 380 1HD1 ILE 53 1HD1 ILE 53 7.934 -3.527 -3.964 381 2HD1 ILE 53 2HD1 ILE 53 6.203 -3.707 -3.718 382 3HD1 ILE 53 3HD1 ILE 53 6.891 -2.114 -4.033 383 H ILE 54 H ILE 54 4.032 -4.289 -5.622 384 HA ILE 54 HA ILE 54 3.312 -4.518 -8.463 385 HB ILE 54 HB ILE 54 1.688 -5.704 -6.717 386 1HG1 ILE 54 2HG1 ILE 54 -0.268 -4.938 -8.216 387 2HG1 ILE 54 1HG1 ILE 54 0.954 -4.009 -9.084 388 1HG2 ILE 54 1HG2 ILE 54 -0.164 -4.225 -6.062 389 2HG2 ILE 54 2HG2 ILE 54 0.779 -2.836 -6.604 390 3HG2 ILE 54 3HG2 ILE 54 1.351 -3.819 -5.256 391 1HD1 ILE 54 1HD1 ILE 54 1.031 -6.982 -8.623 392 2HD1 ILE 54 2HD1 ILE 54 2.180 -6.031 -9.575 393 3HD1 ILE 54 3HD1 ILE 54 0.506 -6.189 -10.113 394 H ALA 55 H ALA 55 2.820 -2.514 -9.409 395 HA ALA 55 HA ALA 55 3.452 -0.243 -7.697 396 1HB ALA 55 1HB ALA 55 4.585 -0.500 -9.904 397 2HB ALA 55 2HB ALA 55 3.774 1.052 -9.664 398 3HB ALA 55 3HB ALA 55 3.027 -0.191 -10.679 399 H ALA 56 H ALA 56 1.890 0.807 -6.749 400 HA ALA 56 HA ALA 56 -0.862 0.464 -7.391 401 1HB ALA 56 1HB ALA 56 -1.287 1.935 -5.558 402 2HB ALA 56 2HB ALA 56 0.348 2.585 -5.626 403 3HB ALA 56 3HB ALA 56 0.079 0.922 -5.109 404 H SER 57 H SER 57 -2.336 2.268 -7.961 405 HA SER 57 HA SER 57 -1.030 4.000 -9.929 406 1HB SER 57 2HB SER 57 -2.451 2.106 -10.838 407 2HB SER 57 1HB SER 57 -3.843 2.899 -10.103 408 HG SER 57 HG SER 57 -3.915 4.084 -11.825 409 H PHE 58 H PHE 58 -1.732 6.084 -10.067 410 HA PHE 58 HA PHE 58 -2.826 7.251 -7.758 411 1HB PHE 58 2HB PHE 58 -2.555 8.595 -10.444 412 2HB PHE 58 1HB PHE 58 -2.642 9.358 -8.862 413 HD1 PHE 58 HD1 PHE 58 -0.707 9.841 -7.662 414 HD2 PHE 58 HD2 PHE 58 -0.505 7.219 -11.005 415 HE1 PHE 58 HE1 PHE 58 1.750 9.921 -7.574 416 HE2 PHE 58 HE2 PHE 58 1.949 7.285 -10.916 417 HZ PHE 58 HZ PHE 58 3.080 8.642 -9.201 418 H SER 59 H SER 59 -4.833 8.032 -7.376 419 HA SER 59 HA SER 59 -6.863 7.657 -9.477 420 1HB SER 59 2HB SER 59 -7.299 6.399 -7.375 421 2HB SER 59 1HB SER 59 -7.264 7.915 -6.477 422 HG SER 59 HG SER 59 -9.105 7.195 -8.526 423 H GLY 60 H GLY 60 -5.696 9.802 -6.916 424 1HA GLY 60 2HA GLY 60 -5.319 12.051 -8.337 425 2HA GLY 60 1HA GLY 60 -7.057 12.091 -8.060 426 HA PRO 61 HA PRO 61 -4.879 13.801 -4.246 427 1HB PRO 61 2HB PRO 61 -5.872 16.412 -5.119 428 2HB PRO 61 1HB PRO 61 -4.245 15.955 -4.611 429 1HG PRO 61 2HG PRO 61 -4.842 16.576 -7.172 430 2HG PRO 61 1HG PRO 61 -3.595 15.390 -6.744 431 1HD PRO 61 2HD PRO 61 -6.410 14.934 -7.667 432 2HD PRO 61 1HD PRO 61 -4.922 14.072 -8.116 433 H ILE 62 H ILE 62 -6.140 14.094 -2.431 434 HA ILE 62 HA ILE 62 -8.993 13.785 -2.841 435 HB ILE 62 HB ILE 62 -7.629 14.036 -0.163 436 1HG1 ILE 62 2HG1 ILE 62 -7.954 11.559 -1.873 437 2HG1 ILE 62 1HG1 ILE 62 -6.430 12.315 -1.426 438 1HG2 ILE 62 1HG2 ILE 62 -9.972 12.317 -0.863 439 2HG2 ILE 62 2HG2 ILE 62 -10.182 14.039 -0.566 440 3HG2 ILE 62 3HG2 ILE 62 -9.524 13.007 0.701 441 1HD1 ILE 62 1HD1 ILE 62 -7.075 11.859 0.973 442 2HD1 ILE 62 2HD1 ILE 62 -6.654 10.481 -0.030 443 3HD1 ILE 62 3HD1 ILE 62 -8.345 10.824 0.319 444 H SER 63 H SER 63 -9.496 15.779 -3.720 445 HA SER 63 HA SER 63 -8.718 18.280 -2.865 446 1HB SER 63 2HB SER 63 -11.355 17.523 -4.140 447 2HB SER 63 1HB SER 63 -10.624 19.129 -4.139 448 HG SER 63 HG SER 63 -10.302 17.569 -6.034 449 H GLY 64 H GLY 64 -9.205 19.556 -1.227 450 1HA GLY 64 2HA GLY 64 -10.803 20.406 0.401 451 2HA GLY 64 1HA GLY 64 -11.433 18.767 0.540 452 H SER 65 H SER 65 -8.802 17.545 0.504 453 HA SER 65 HA SER 65 -7.753 18.443 3.105 454 1HB SER 65 2HB SER 65 -8.023 15.562 2.216 455 2HB SER 65 1HB SER 65 -7.475 16.135 3.788 456 HG SER 65 HG SER 65 -9.870 15.467 3.271 457 H ASN 66 H ASN 66 -5.506 17.555 3.485 458 HA ASN 66 HA ASN 66 -3.991 17.911 1.011 459 1HB ASN 66 2HB ASN 66 -3.152 18.052 3.908 460 2HB ASN 66 1HB ASN 66 -2.023 18.175 2.563 461 1HD2 ASN 66 1HD2 ASN 66 -2.620 20.130 4.595 462 2HD2 ASN 66 2HD2 ASN 66 -3.205 21.535 3.773 463 H TYR 67 H TYR 67 -5.067 15.572 0.830 464 HA TYR 67 HA TYR 67 -2.807 13.761 1.223 465 1HB TYR 67 2HB TYR 67 -5.520 13.393 2.309 466 2HB TYR 67 1HB TYR 67 -4.906 12.017 1.400 467 HD1 TYR 67 HD1 TYR 67 -3.823 14.375 4.031 468 HD2 TYR 67 HD2 TYR 67 -3.658 10.433 2.534 469 HE1 TYR 67 HE1 TYR 67 -2.530 13.706 6.014 470 HE2 TYR 67 HE2 TYR 67 -2.354 9.728 4.496 471 HH TYR 67 HH TYR 67 -1.990 11.729 7.254 472 H GLU 68 H GLU 68 -2.816 11.985 -0.194 473 HA GLU 68 HA GLU 68 -4.237 12.539 -2.714 474 1HB GLU 68 2HB GLU 68 -1.561 11.322 -2.135 475 2HB GLU 68 1HB GLU 68 -2.398 10.889 -3.615 476 1HG GLU 68 2HG GLU 68 -0.930 12.611 -4.167 477 2HG GLU 68 1HG GLU 68 -2.524 13.358 -4.105 478 H TYR 69 H TYR 69 -4.288 10.210 -4.030 479 HA TYR 69 HA TYR 69 -5.702 8.373 -2.300 480 1HB TYR 69 2HB TYR 69 -7.262 10.336 -2.999 481 2HB TYR 69 1HB TYR 69 -7.219 9.597 -4.597 482 HD1 TYR 69 HD1 TYR 69 -7.232 7.903 -1.317 483 HD2 TYR 69 HD2 TYR 69 -9.430 8.797 -4.841 484 HE1 TYR 69 HE1 TYR 69 -9.010 6.377 -0.582 485 HE2 TYR 69 HE2 TYR 69 -11.213 7.256 -4.127 486 HH TYR 69 HH TYR 69 -11.516 5.335 -2.665 487 H TRP 70 H TRP 70 -5.348 6.425 -3.031 488 HA TRP 70 HA TRP 70 -4.242 6.174 -5.741 489 1HB TRP 70 2HB TRP 70 -3.197 4.936 -3.189 490 2HB TRP 70 1HB TRP 70 -2.483 4.795 -4.789 491 HD1 TRP 70 HD1 TRP 70 -3.320 7.742 -2.386 492 HE1 TRP 70 HE1 TRP 70 -1.361 9.381 -2.566 493 HE3 TRP 70 HE3 TRP 70 -0.632 5.453 -5.776 494 HZ2 TRP 70 HZ2 TRP 70 1.051 9.671 -3.927 495 HZ3 TRP 70 HZ3 TRP 70 1.549 6.319 -6.516 496 HH2 TRP 70 HH2 TRP 70 2.353 8.458 -5.609 497 H THR 71 H THR 71 -4.802 4.312 -6.811 498 HA THR 71 HA THR 71 -6.389 2.347 -5.295 499 HB THR 71 HB THR 71 -7.582 1.983 -7.558 500 HG1 THR 71 HG1 THR 71 -6.712 3.236 -9.051 501 1HG2 THR 71 1HG2 THR 71 -8.004 4.342 -5.750 502 2HG2 THR 71 2HG2 THR 71 -8.877 2.809 -5.788 503 3HG2 THR 71 3HG2 THR 71 -9.108 3.988 -7.079 504 H PHE 72 H PHE 72 -5.791 0.222 -5.595 505 HA PHE 72 HA PHE 72 -3.866 -0.199 -7.737 506 1HB PHE 72 2HB PHE 72 -2.573 -1.718 -6.285 507 2HB PHE 72 1HB PHE 72 -2.594 -0.066 -5.685 508 HD1 PHE 72 HD1 PHE 72 -3.982 -3.430 -5.194 509 HD2 PHE 72 HD2 PHE 72 -3.459 0.438 -3.542 510 HE1 PHE 72 HE1 PHE 72 -4.720 -4.283 -3.004 511 HE2 PHE 72 HE2 PHE 72 -4.208 -0.390 -1.348 512 HZ PHE 72 HZ PHE 72 -4.837 -2.756 -1.077 513 H SER 73 H SER 73 -4.099 -1.950 -8.954 514 HA SER 73 HA SER 73 -5.922 -4.051 -8.016 515 1HB SER 73 2HB SER 73 -6.502 -4.422 -10.427 516 2HB SER 73 1HB SER 73 -7.085 -2.889 -9.774 517 HG SER 73 HG SER 73 -4.597 -3.064 -11.107 518 H ALA 74 H ALA 74 -5.248 -6.122 -8.345 519 HA ALA 74 HA ALA 74 -2.796 -6.642 -9.800 520 1HB ALA 74 1HB ALA 74 -1.728 -7.653 -7.757 521 2HB ALA 74 2HB ALA 74 -2.990 -6.873 -6.803 522 3HB ALA 74 3HB ALA 74 -1.860 -5.893 -7.736 523 H SER 75 H SER 75 -3.285 -8.449 -10.904 524 HA SER 75 HA SER 75 -5.036 -10.449 -9.751 525 1HB SER 75 2HB SER 75 -4.980 -9.951 -12.220 526 2HB SER 75 1HB SER 75 -3.358 -10.639 -12.270 527 HG SER 75 HG SER 75 -5.499 -12.128 -11.189 528 H VAL 76 H VAL 76 -4.161 -11.424 -8.045 529 HA VAL 76 HA VAL 76 -1.303 -12.050 -8.059 530 HB VAL 76 HB VAL 76 -1.459 -12.223 -5.652 531 1HG1 VAL 76 1HG1 VAL 76 -2.562 -9.916 -5.163 532 2HG1 VAL 76 2HG1 VAL 76 -2.754 -9.847 -6.914 533 3HG1 VAL 76 3HG1 VAL 76 -1.142 -9.994 -6.216 534 1HG2 VAL 76 1HG2 VAL 76 -3.457 -12.130 -4.409 535 2HG2 VAL 76 2HG2 VAL 76 -3.779 -13.254 -5.728 536 3HG2 VAL 76 3HG2 VAL 76 -4.394 -11.609 -5.808 537 H LYS 77 H LYS 77 -0.537 -14.119 -7.666 538 HA LYS 77 HA LYS 77 -2.515 -16.228 -8.123 539 1HB LYS 77 2HB LYS 77 -0.413 -17.672 -8.451 540 2HB LYS 77 1HB LYS 77 -0.808 -16.492 -9.687 541 1HG LYS 77 2HG LYS 77 1.528 -16.408 -9.366 542 2HG LYS 77 1HG LYS 77 0.868 -14.956 -8.620 543 1HD LYS 77 2HD LYS 77 2.602 -15.964 -7.226 544 2HD LYS 77 1HD LYS 77 1.033 -16.004 -6.420 545 1HE LYS 77 2HE LYS 77 0.747 -18.333 -7.020 546 2HE LYS 77 1HE LYS 77 2.254 -18.309 -7.935 547 1HZ LYS 77 1HZ LYS 77 2.177 -17.685 -5.041 548 2HZ LYS 77 2HZ LYS 77 3.510 -18.134 -5.992 549 3HZ LYS 77 3HZ LYS 77 2.316 -19.278 -5.611 550 H GLY 78 H GLY 78 -1.511 -14.727 -5.563 551 1HA GLY 78 2HA GLY 78 -2.414 -16.364 -3.632 552 2HA GLY 78 1HA GLY 78 -0.770 -16.947 -3.863 553 H ILE 79 H ILE 79 -2.116 -15.548 -1.581 554 HA ILE 79 HA ILE 79 0.122 -13.976 -0.854 555 HB ILE 79 HB ILE 79 -0.822 -12.259 -2.211 556 1HG1 ILE 79 2HG1 ILE 79 -1.343 -11.717 0.707 557 2HG1 ILE 79 1HG1 ILE 79 0.182 -11.505 -0.144 558 1HG2 ILE 79 1HG2 ILE 79 -3.051 -11.320 -1.826 559 2HG2 ILE 79 2HG2 ILE 79 -3.383 -12.607 -0.678 560 3HG2 ILE 79 3HG2 ILE 79 -3.115 -12.992 -2.378 561 1HD1 ILE 79 1HD1 ILE 79 -2.340 -9.914 -0.446 562 2HD1 ILE 79 2HD1 ILE 79 -1.006 -9.819 -1.583 563 3HD1 ILE 79 3HD1 ILE 79 -0.757 -9.361 0.100 564 H LYS 80 H LYS 80 0.222 -13.579 1.280 565 HA LYS 80 HA LYS 80 -2.006 -14.609 2.914 566 1HB LYS 80 2HB LYS 80 0.945 -15.121 3.294 567 2HB LYS 80 1HB LYS 80 -0.300 -15.573 4.448 568 1HG LYS 80 2HG LYS 80 -0.135 -16.578 1.614 569 2HG LYS 80 1HG LYS 80 0.461 -17.442 3.031 570 1HD LYS 80 2HD LYS 80 -2.396 -16.535 2.827 571 2HD LYS 80 1HD LYS 80 -1.862 -18.056 2.115 572 1HE LYS 80 2HE LYS 80 -2.768 -18.498 4.295 573 2HE LYS 80 1HE LYS 80 -1.027 -18.752 4.348 574 1HZ LYS 80 1HZ LYS 80 -2.089 -17.492 6.258 575 2HZ LYS 80 2HZ LYS 80 -2.254 -16.192 5.185 576 3HZ LYS 80 3HZ LYS 80 -0.707 -16.797 5.556 577 H GLU 81 H GLU 81 0.785 -12.462 2.734 578 HA GLU 81 HA GLU 81 -0.407 -10.761 4.810 579 1HB GLU 81 2HB GLU 81 2.534 -11.445 4.824 580 2HB GLU 81 1HB GLU 81 1.648 -10.509 6.017 581 1HG GLU 81 2HG GLU 81 0.400 -12.543 6.629 582 2HG GLU 81 1HG GLU 81 1.395 -13.450 5.484 583 H PHE 82 H PHE 82 0.674 -8.523 4.785 584 HA PHE 82 HA PHE 82 2.638 -7.997 2.821 585 1HB PHE 82 2HB PHE 82 1.485 -6.975 1.071 586 2HB PHE 82 1HB PHE 82 0.463 -8.342 1.465 587 HD1 PHE 82 HD1 PHE 82 -0.958 -7.244 3.836 588 HD2 PHE 82 HD2 PHE 82 -0.003 -5.545 0.065 589 HE1 PHE 82 HE1 PHE 82 -2.937 -5.847 3.963 590 HE2 PHE 82 HE2 PHE 82 -1.988 -4.100 0.207 591 HZ PHE 82 HZ PHE 82 -3.468 -4.250 2.168 592 H TYR 83 H TYR 83 3.032 -5.662 2.497 593 HA TYR 83 HA TYR 83 1.590 -3.780 4.072 594 1HB TYR 83 2HB TYR 83 3.350 -2.970 5.485 595 2HB TYR 83 1HB TYR 83 3.143 -4.680 5.790 596 HD1 TYR 83 HD1 TYR 83 4.872 -5.528 3.270 597 HD2 TYR 83 HD2 TYR 83 5.461 -2.828 6.502 598 HE1 TYR 83 HE1 TYR 83 7.305 -5.831 3.088 599 HE2 TYR 83 HE2 TYR 83 7.886 -3.133 6.328 600 HH TYR 83 HH TYR 83 9.461 -4.855 5.500 601 H ILE 84 H ILE 84 2.143 -1.576 3.437 602 HA ILE 84 HA ILE 84 2.977 -1.761 0.643 603 HB ILE 84 HB ILE 84 1.561 0.570 1.928 604 1HG1 ILE 84 2HG1 ILE 84 0.128 -1.348 2.237 605 2HG1 ILE 84 1HG1 ILE 84 -0.498 -0.423 0.876 606 1HG2 ILE 84 1HG2 ILE 84 0.849 0.921 -0.466 607 2HG2 ILE 84 2HG2 ILE 84 2.029 -0.319 -0.911 608 3HG2 ILE 84 3HG2 ILE 84 2.563 1.177 -0.139 609 1HD1 ILE 84 1HD1 ILE 84 1.166 -2.912 0.680 610 2HD1 ILE 84 2HD1 ILE 84 0.524 -1.982 -0.675 611 3HD1 ILE 84 3HD1 ILE 84 -0.577 -2.800 0.435 612 H LYS 85 H LYS 85 4.493 -0.499 -0.302 613 HA LYS 85 HA LYS 85 6.473 0.606 1.490 614 1HB LYS 85 2HB LYS 85 6.469 -0.008 -1.462 615 2HB LYS 85 1HB LYS 85 7.813 0.755 -0.629 616 1HG LYS 85 2HG LYS 85 7.360 -1.508 0.879 617 2HG LYS 85 1HG LYS 85 7.068 -2.039 -0.788 618 1HD LYS 85 2HD LYS 85 9.428 -0.420 0.056 619 2HD LYS 85 1HD LYS 85 9.464 -2.184 -0.035 620 1HE LYS 85 2HE LYS 85 9.124 -2.148 -2.384 621 2HE LYS 85 1HE LYS 85 8.675 -0.445 -2.368 622 1HZ LYS 85 1HZ LYS 85 10.827 0.225 -2.297 623 2HZ LYS 85 2HZ LYS 85 11.068 -1.262 -3.085 624 3HZ LYS 85 3HZ LYS 85 11.352 -1.131 -1.419 625 H TYR 86 H TYR 86 6.235 2.661 1.981 626 HA TYR 86 HA TYR 86 5.190 4.518 -0.009 627 1HB TYR 86 2HB TYR 86 4.427 4.727 2.349 628 2HB TYR 86 1HB TYR 86 6.089 5.055 2.836 629 HD1 TYR 86 HD1 TYR 86 4.419 6.300 -0.204 630 HD2 TYR 86 HD2 TYR 86 5.860 7.270 3.667 631 HE1 TYR 86 HE1 TYR 86 4.064 8.668 -0.675 632 HE2 TYR 86 HE2 TYR 86 5.508 9.658 3.200 633 HH TYR 86 HH TYR 86 3.618 10.840 0.960 634 H GLU 87 H GLU 87 6.712 4.891 -1.523 635 HA GLU 87 HA GLU 87 9.458 5.316 -0.580 636 1HB GLU 87 2HB GLU 87 8.757 3.395 -2.224 637 2HB GLU 87 1HB GLU 87 8.795 4.678 -3.427 638 1HG GLU 87 2HG GLU 87 11.082 5.027 -3.158 639 2HG GLU 87 1HG GLU 87 11.114 4.195 -1.604 640 H VAL 88 H VAL 88 9.857 7.369 -0.401 641 HA VAL 88 HA VAL 88 8.564 9.341 -2.097 642 HB VAL 88 HB VAL 88 10.588 9.807 0.107 643 1HG1 VAL 88 1HG1 VAL 88 9.517 12.033 0.238 644 2HG1 VAL 88 2HG1 VAL 88 8.535 11.613 -1.167 645 3HG1 VAL 88 3HG1 VAL 88 10.288 11.732 -1.318 646 1HG2 VAL 88 1HG2 VAL 88 8.587 8.503 0.858 647 2HG2 VAL 88 2HG2 VAL 88 7.597 9.874 0.370 648 3HG2 VAL 88 3HG2 VAL 88 8.788 10.065 1.652 649 H SER 89 H SER 89 9.993 11.078 -3.073 650 HA SER 89 HA SER 89 11.617 10.150 -5.036 651 1HB SER 89 2HB SER 89 12.293 12.761 -3.723 652 2HB SER 89 1HB SER 89 12.189 12.369 -5.440 653 HG SER 89 HG SER 89 9.977 12.399 -5.316 654 H GLY 90 H GLY 90 12.613 11.083 -1.770 655 1HA GLY 90 2HA GLY 90 15.110 9.602 -2.218 656 2HA GLY 90 1HA GLY 90 15.159 11.204 -1.509 657 H LYS 91 H LYS 91 12.506 9.101 -0.670 658 HA LYS 91 HA LYS 91 13.901 8.205 1.739 659 1HB LYS 91 2HB LYS 91 11.517 9.985 1.700 660 2HB LYS 91 1HB LYS 91 11.626 8.763 2.951 661 1HG LYS 91 2HG LYS 91 13.938 10.526 2.453 662 2HG LYS 91 1HG LYS 91 12.562 11.162 3.354 663 1HD LYS 91 2HD LYS 91 12.783 9.252 4.912 664 2HD LYS 91 1HD LYS 91 14.209 8.718 4.019 665 1HE LYS 91 2HE LYS 91 14.956 9.939 5.935 666 2HE LYS 91 1HE LYS 91 15.253 10.931 4.508 667 1HZ LYS 91 1HZ LYS 91 13.063 12.035 5.034 668 2HZ LYS 91 2HZ LYS 91 14.330 12.356 6.112 669 3HZ LYS 91 3HZ LYS 91 13.119 11.248 6.536 670 H THR 92 H THR 92 12.406 6.837 3.060 671 HA THR 92 HA THR 92 10.352 5.433 1.558 672 HB THR 92 HB THR 92 12.478 3.765 2.864 673 HG1 THR 92 HG1 THR 92 12.728 5.113 0.571 674 1HG2 THR 92 1HG2 THR 92 10.289 2.715 2.554 675 2HG2 THR 92 2HG2 THR 92 11.501 1.970 1.511 676 3HG2 THR 92 3HG2 THR 92 10.343 3.116 0.835 677 H TYR 93 H TYR 93 8.788 4.710 2.793 678 HA TYR 93 HA TYR 93 9.205 4.216 5.639 679 1HB TYR 93 2HB TYR 93 6.840 5.816 4.616 680 2HB TYR 93 1HB TYR 93 7.177 5.399 6.289 681 HD1 TYR 93 HD1 TYR 93 7.522 7.775 3.770 682 HD2 TYR 93 HD2 TYR 93 9.356 6.371 7.317 683 HE1 TYR 93 HE1 TYR 93 8.706 9.937 3.993 684 HE2 TYR 93 HE2 TYR 93 10.545 8.509 7.572 685 HH TYR 93 HH TYR 93 9.753 11.284 5.779 686 H TYR 94 H TYR 94 6.549 3.574 6.213 687 HA TYR 94 HA TYR 94 5.822 1.523 4.279 688 1HB TYR 94 2HB TYR 94 6.690 0.809 7.089 689 2HB TYR 94 1HB TYR 94 5.930 -0.297 5.955 690 HD1 TYR 94 HD1 TYR 94 7.201 -0.798 3.770 691 HD2 TYR 94 HD2 TYR 94 9.000 1.051 7.153 692 HE1 TYR 94 HE1 TYR 94 9.416 -1.488 2.956 693 HE2 TYR 94 HE2 TYR 94 11.221 0.386 6.340 694 HH TYR 94 HH TYR 94 12.200 -1.345 4.900 695 H ASP 95 H ASP 95 3.730 0.902 4.405 696 HA ASP 95 HA ASP 95 2.163 1.781 6.742 697 1HB ASP 95 2HB ASP 95 1.264 2.570 4.589 698 2HB ASP 95 1HB ASP 95 1.206 0.912 3.995 699 H ASN 96 H ASN 96 2.435 0.169 8.210 700 HA ASN 96 HA ASN 96 1.714 -2.547 7.397 701 1HB ASN 96 2HB ASN 96 3.738 -3.477 8.508 702 2HB ASN 96 1HB ASN 96 4.100 -2.540 7.065 703 1HD2 ASN 96 1HD2 ASN 96 6.233 -2.299 7.808 704 2HD2 ASN 96 2HD2 ASN 96 6.635 -1.162 9.055 705 H ASN 97 H ASN 97 0.382 -0.624 9.075 706 HA ASN 97 HA ASN 97 -0.724 -0.479 11.051 707 1HB ASN 97 2HB ASN 97 -0.359 -3.188 10.633 708 2HB ASN 97 1HB ASN 97 0.259 -2.950 12.264 709 1HD2 ASN 97 1HD2 ASN 97 -2.072 -4.367 11.302 710 2HD2 ASN 97 2HD2 ASN 97 -3.436 -3.665 12.116 711 H ASN 98 H ASN 98 2.236 -2.246 11.878 712 HA ASN 98 HA ASN 98 3.506 -0.177 13.309 713 1HB ASN 98 2HB ASN 98 3.226 -1.109 15.613 714 2HB ASN 98 1HB ASN 98 1.730 -0.457 14.960 715 1HD2 ASN 98 1HD2 ASN 98 3.373 -3.280 16.075 716 2HD2 ASN 98 2HD2 ASN 98 2.020 -4.360 15.976 717 H SER 99 H SER 99 4.252 -1.849 11.365 718 HA SER 99 HA SER 99 5.531 -3.540 10.630 719 1HB SER 99 2HB SER 99 7.176 -2.486 12.263 720 2HB SER 99 1HB SER 99 6.699 -3.730 13.417 721 HG SER 99 HG SER 99 8.429 -4.589 12.395 722 H ALA 100 H ALA 100 3.046 -4.189 11.169 723 HA ALA 100 HA ALA 100 3.025 -6.619 12.816 724 1HB ALA 100 1HB ALA 100 0.534 -6.384 12.631 725 2HB ALA 100 2HB ALA 100 0.803 -4.871 11.767 726 3HB ALA 100 3HB ALA 100 1.338 -5.038 13.439 727 H ASN 101 H ASN 101 2.379 -5.407 9.574 728 HA ASN 101 HA ASN 101 2.020 -6.412 7.566 729 1HB ASN 101 2HB ASN 101 3.163 -8.763 9.056 730 2HB ASN 101 1HB ASN 101 2.581 -8.919 7.401 731 1HD2 ASN 101 1HD2 ASN 101 4.696 -9.455 6.754 732 2HD2 ASN 101 2HD2 ASN 101 5.910 -8.240 6.565 733 H TYR 102 H TYR 102 0.045 -6.579 6.841 734 HA TYR 102 HA TYR 102 -2.042 -7.532 8.578 735 1HB TYR 102 2HB TYR 102 -2.415 -6.773 5.692 736 2HB TYR 102 1HB TYR 102 -3.565 -6.640 7.016 737 HD1 TYR 102 HD1 TYR 102 -0.831 -5.075 5.248 738 HD2 TYR 102 HD2 TYR 102 -3.329 -4.807 8.674 739 HE1 TYR 102 HE1 TYR 102 -0.158 -2.745 5.533 740 HE2 TYR 102 HE2 TYR 102 -2.665 -2.457 8.979 741 HH TYR 102 HH TYR 102 -0.961 -0.690 6.586 742 H GLN 103 H GLN 103 -3.028 -9.455 8.532 743 HA GLN 103 HA GLN 103 -2.178 -11.467 6.664 744 1HB GLN 103 2HB GLN 103 -4.133 -11.442 8.954 745 2HB GLN 103 1HB GLN 103 -4.047 -12.797 7.846 746 1HG GLN 103 2HG GLN 103 -2.774 -13.171 9.901 747 2HG GLN 103 1HG GLN 103 -1.773 -13.237 8.453 748 1HE2 GLN 103 1HE2 GLN 103 -0.286 -11.643 8.084 749 2HE2 GLN 103 2HE2 GLN 103 0.232 -10.530 9.305 750 H VAL 104 H VAL 104 -3.121 -11.999 4.819 751 HA VAL 104 HA VAL 104 -5.366 -10.476 3.863 752 HB VAL 104 HB VAL 104 -3.808 -12.747 2.614 753 1HG1 VAL 104 1HG1 VAL 104 -4.827 -12.067 0.497 754 2HG1 VAL 104 2HG1 VAL 104 -5.819 -10.888 1.354 755 3HG1 VAL 104 3HG1 VAL 104 -6.045 -12.611 1.651 756 1HG2 VAL 104 1HG2 VAL 104 -3.687 -9.777 2.116 757 2HG2 VAL 104 2HG2 VAL 104 -2.699 -11.013 1.333 758 3HG2 VAL 104 3HG2 VAL 104 -2.518 -10.698 3.059 759 H SER 105 H SER 105 -7.441 -11.092 3.715 760 HA SER 105 HA SER 105 -8.297 -13.442 5.103 761 1HB SER 105 2HB SER 105 -10.592 -12.573 4.324 762 2HB SER 105 1HB SER 105 -9.662 -11.541 5.412 763 HG SER 105 HG SER 105 -10.554 -10.997 2.954 764 H THR 106 H THR 106 -7.168 -14.952 3.688 765 HA THR 106 HA THR 106 -8.266 -15.385 1.049 766 HB THR 106 HB THR 106 -6.702 -17.480 1.278 767 HG1 THR 106 HG1 THR 106 -6.227 -17.374 3.460 768 1HG2 THR 106 1HG2 THR 106 -6.264 -15.587 -0.199 769 2HG2 THR 106 2HG2 THR 106 -4.779 -16.107 0.598 770 3HG2 THR 106 3HG2 THR 106 -5.620 -14.661 1.156 Start of MODEL 3 1 1H ALA 1 1H ALA 1 -12.526 13.358 13.757 2 2H ALA 1 2H ALA 1 -11.470 14.136 14.825 3 3H ALA 1 3H ALA 1 -12.292 12.737 15.318 4 HA ALA 1 HA ALA 1 -9.992 12.252 14.818 5 1HB ALA 1 1HB ALA 1 -11.424 10.429 14.481 6 2HB ALA 1 2HB ALA 1 -10.437 10.504 13.026 7 3HB ALA 1 3HB ALA 1 -12.093 11.111 13.001 8 H SER 2 H SER 2 -8.305 12.152 13.305 9 HA SER 2 HA SER 2 -8.502 14.275 11.282 10 1HB SER 2 2HB SER 2 -6.004 14.359 11.490 11 2HB SER 2 1HB SER 2 -6.861 14.755 12.982 12 HG SER 2 HG SER 2 -5.194 12.633 12.413 13 H ILE 3 H ILE 3 -6.974 13.944 9.371 14 HA ILE 3 HA ILE 3 -7.586 11.439 8.153 15 HB ILE 3 HB ILE 3 -5.828 13.699 7.180 16 1HG1 ILE 3 2HG1 ILE 3 -7.763 13.909 5.506 17 2HG1 ILE 3 1HG1 ILE 3 -8.672 12.873 6.600 18 1HG2 ILE 3 1HG2 ILE 3 -5.081 11.614 6.193 19 2HG2 ILE 3 2HG2 ILE 3 -5.899 12.607 4.986 20 3HG2 ILE 3 3HG2 ILE 3 -6.734 11.230 5.707 21 1HD1 ILE 3 1HD1 ILE 3 -7.500 15.558 7.289 22 2HD1 ILE 3 2HD1 ILE 3 -8.429 14.524 8.375 23 3HD1 ILE 3 3HD1 ILE 3 -9.196 15.219 6.948 24 HA PRO 4 HA PRO 4 -2.988 10.387 8.631 25 1HB PRO 4 2HB PRO 4 -1.395 12.427 9.786 26 2HB PRO 4 1HB PRO 4 -1.419 11.917 8.098 27 1HG PRO 4 2HG PRO 4 -2.264 14.393 9.059 28 2HG PRO 4 1HG PRO 4 -2.652 13.711 7.471 29 1HD PRO 4 2HD PRO 4 -4.302 13.802 9.953 30 2HD PRO 4 1HD PRO 4 -4.807 13.917 8.254 31 H SER 5 H SER 5 -2.154 9.172 10.243 32 HA SER 5 HA SER 5 -2.531 10.055 13.004 33 1HB SER 5 2HB SER 5 -2.935 7.290 11.845 34 2HB SER 5 1HB SER 5 -2.988 7.691 13.552 35 HG SER 5 HG SER 5 -4.769 8.420 11.503 36 H SER 6 H SER 6 -0.839 7.651 10.969 37 HA SER 6 HA SER 6 1.445 7.849 12.798 38 1HB SER 6 2HB SER 6 0.774 5.704 10.770 39 2HB SER 6 1HB SER 6 2.141 5.678 11.884 40 HG SER 6 HG SER 6 0.122 4.512 12.501 41 H ALA 7 H ALA 7 0.995 7.216 9.295 42 HA ALA 7 HA ALA 7 3.427 8.809 8.860 43 1HB ALA 7 1HB ALA 7 3.967 7.274 7.015 44 2HB ALA 7 2HB ALA 7 2.580 6.285 7.455 45 3HB ALA 7 3HB ALA 7 3.927 6.468 8.579 46 H SER 8 H SER 8 3.571 8.995 6.237 47 HA SER 8 HA SER 8 1.642 10.890 5.474 48 1HB SER 8 2HB SER 8 3.464 9.317 3.646 49 2HB SER 8 1HB SER 8 2.805 10.929 3.366 50 HG SER 8 HG SER 8 4.000 11.467 5.406 51 H VAL 9 H VAL 9 1.731 7.439 5.189 52 HA VAL 9 HA VAL 9 -0.552 7.530 3.345 53 HB VAL 9 HB VAL 9 1.231 6.651 2.082 54 1HG1 VAL 9 1HG1 VAL 9 2.510 4.667 2.912 55 2HG1 VAL 9 2HG1 VAL 9 1.888 5.044 4.518 56 3HG1 VAL 9 3HG1 VAL 9 2.893 6.213 3.654 57 1HG2 VAL 9 1HG2 VAL 9 -0.804 5.342 1.825 58 2HG2 VAL 9 2HG2 VAL 9 -0.315 4.290 3.153 59 3HG2 VAL 9 3HG2 VAL 9 0.619 4.313 1.657 60 H GLN 10 H GLN 10 -2.182 6.144 3.621 61 HA GLN 10 HA GLN 10 -2.110 4.137 5.737 62 1HB GLN 10 2HB GLN 10 -3.110 6.127 6.793 63 2HB GLN 10 1HB GLN 10 -4.279 6.238 5.484 64 1HG GLN 10 2HG GLN 10 -5.185 4.049 6.134 65 2HG GLN 10 1HG GLN 10 -4.047 4.000 7.480 66 1HE2 GLN 10 1HE2 GLN 10 -6.891 5.529 6.185 67 2HE2 GLN 10 2HE2 GLN 10 -7.407 6.268 7.664 68 H LEU 11 H LEU 11 -3.056 2.283 5.023 69 HA LEU 11 HA LEU 11 -4.021 2.143 2.345 70 1HB LEU 11 2HB LEU 11 -2.899 0.279 3.520 71 2HB LEU 11 1HB LEU 11 -4.297 0.126 4.568 72 HG LEU 11 HG LEU 11 -5.683 -0.383 2.522 73 1HD1 LEU 11 1HD1 LEU 11 -4.453 -1.121 0.527 74 2HD1 LEU 11 2HD1 LEU 11 -2.957 -0.505 1.232 75 3HD1 LEU 11 3HD1 LEU 11 -4.269 0.606 0.834 76 1HD2 LEU 11 1HD2 LEU 11 -4.794 -2.681 2.325 77 2HD2 LEU 11 2HD2 LEU 11 -4.918 -2.138 3.999 78 3HD2 LEU 11 3HD2 LEU 11 -3.347 -2.178 3.194 79 H ASP 12 H ASP 12 -6.006 2.335 1.565 80 HA ASP 12 HA ASP 12 -8.146 3.169 3.281 81 1HB ASP 12 2HB ASP 12 -7.752 4.015 0.933 82 2HB ASP 12 1HB ASP 12 -8.301 2.455 0.349 83 H SER 13 H SER 13 -7.812 0.556 0.929 84 HA SER 13 HA SER 13 -8.892 -1.543 2.427 85 1HB SER 13 2HB SER 13 -10.946 0.017 0.837 86 2HB SER 13 1HB SER 13 -11.158 -1.689 1.226 87 HG SER 13 HG SER 13 -10.535 0.092 3.299 88 H TYR 14 H TYR 14 -9.444 -3.378 1.173 89 HA TYR 14 HA TYR 14 -8.805 -3.449 -1.624 90 1HB TYR 14 2HB TYR 14 -6.860 -4.927 -1.361 91 2HB TYR 14 1HB TYR 14 -6.562 -3.350 -0.636 92 HD1 TYR 14 HD1 TYR 14 -7.036 -6.861 -0.030 93 HD2 TYR 14 HD2 TYR 14 -6.455 -3.114 1.816 94 HE1 TYR 14 HE1 TYR 14 -6.444 -8.009 2.038 95 HE2 TYR 14 HE2 TYR 14 -5.866 -4.233 3.929 96 HH TYR 14 HH TYR 14 -6.372 -6.517 5.000 97 H ASN 15 H ASN 15 -8.975 -5.720 -2.406 98 HA ASN 15 HA ASN 15 -10.440 -7.527 -0.671 99 1HB ASN 15 2HB ASN 15 -12.177 -5.973 -1.533 100 2HB ASN 15 1HB ASN 15 -11.702 -6.372 -3.177 101 1HD2 ASN 15 1HD2 ASN 15 -13.644 -7.203 -3.793 102 2HD2 ASN 15 2HD2 ASN 15 -14.300 -8.671 -3.146 103 H TYR 16 H TYR 16 -11.018 -9.531 -1.903 104 HA TYR 16 HA TYR 16 -9.136 -10.091 -4.075 105 1HB TYR 16 2HB TYR 16 -9.322 -11.664 -1.513 106 2HB TYR 16 1HB TYR 16 -8.416 -12.174 -2.930 107 HD1 TYR 16 HD1 TYR 16 -6.473 -10.786 -3.659 108 HD2 TYR 16 HD2 TYR 16 -8.452 -10.184 0.046 109 HE1 TYR 16 HE1 TYR 16 -4.522 -9.541 -2.824 110 HE2 TYR 16 HE2 TYR 16 -6.520 -8.936 0.893 111 HH TYR 16 HH TYR 16 -4.045 -7.810 -1.086 112 H ASP 17 H ASP 17 -9.897 -11.484 -5.539 113 HA ASP 17 HA ASP 17 -12.115 -13.236 -4.817 114 1HB ASP 17 2HB ASP 17 -13.297 -12.770 -6.910 115 2HB ASP 17 1HB ASP 17 -13.126 -11.300 -5.961 116 H GLY 18 H GLY 18 -11.805 -15.288 -5.480 117 1HA GLY 18 2HA GLY 18 -10.506 -17.084 -6.136 118 2HA GLY 18 1HA GLY 18 -10.122 -16.145 -7.579 119 H SER 19 H SER 19 -8.094 -15.339 -7.777 120 HA SER 19 HA SER 19 -6.776 -14.485 -5.316 121 1HB SER 19 2HB SER 19 -5.689 -16.599 -5.971 122 2HB SER 19 1HB SER 19 -5.419 -15.959 -7.591 123 HG SER 19 HG SER 19 -3.783 -14.814 -6.880 124 H THR 20 H THR 20 -7.553 -12.430 -5.869 125 HA THR 20 HA THR 20 -5.872 -11.063 -7.808 126 HB THR 20 HB THR 20 -8.891 -10.857 -7.821 127 HG1 THR 20 HG1 THR 20 -7.139 -12.320 -9.237 128 1HG2 THR 20 1HG2 THR 20 -6.780 -9.171 -9.152 129 2HG2 THR 20 2HG2 THR 20 -8.110 -8.642 -8.118 130 3HG2 THR 20 3HG2 THR 20 -8.443 -9.251 -9.742 131 H PHE 21 H PHE 21 -5.160 -9.157 -7.035 132 HA PHE 21 HA PHE 21 -6.260 -8.166 -4.501 133 1HB PHE 21 2HB PHE 21 -3.761 -8.328 -4.876 134 2HB PHE 21 1HB PHE 21 -3.926 -7.087 -6.110 135 HD1 PHE 21 HD1 PHE 21 -3.371 -7.742 -2.705 136 HD2 PHE 21 HD2 PHE 21 -4.992 -4.835 -5.337 137 HE1 PHE 21 HE1 PHE 21 -3.128 -6.035 -0.948 138 HE2 PHE 21 HE2 PHE 21 -4.754 -3.116 -3.593 139 HZ PHE 21 HZ PHE 21 -3.819 -3.713 -1.394 140 H SER 22 H SER 22 -7.716 -6.629 -4.500 141 HA SER 22 HA SER 22 -7.534 -4.579 -6.580 142 1HB SER 22 2HB SER 22 -9.987 -4.665 -6.978 143 2HB SER 22 1HB SER 22 -9.138 -6.116 -7.522 144 HG SER 22 HG SER 22 -9.773 -6.687 -5.100 145 H GLY 23 H GLY 23 -7.704 -2.605 -5.749 146 1HA GLY 23 2HA GLY 23 -9.461 -1.775 -3.766 147 2HA GLY 23 1HA GLY 23 -7.997 -2.301 -2.950 148 H LYS 24 H LYS 24 -7.626 -0.198 -2.207 149 HA LYS 24 HA LYS 24 -6.103 1.410 -4.005 150 1HB LYS 24 2HB LYS 24 -7.451 3.457 -3.798 151 2HB LYS 24 1HB LYS 24 -8.279 2.184 -4.694 152 1HG LYS 24 2HG LYS 24 -8.778 2.572 -1.756 153 2HG LYS 24 1HG LYS 24 -9.578 3.597 -2.948 154 1HD LYS 24 2HD LYS 24 -10.571 1.653 -4.000 155 2HD LYS 24 1HD LYS 24 -9.694 0.580 -2.907 156 1HE LYS 24 2HE LYS 24 -12.015 0.869 -2.203 157 2HE LYS 24 1HE LYS 24 -10.895 1.516 -1.007 158 1HZ LYS 24 1HZ LYS 24 -12.735 3.023 -1.345 159 2HZ LYS 24 2HZ LYS 24 -12.418 3.102 -3.010 160 3HZ LYS 24 3HZ LYS 24 -11.307 3.740 -1.905 161 H ILE 25 H ILE 25 -5.384 3.461 -2.900 162 HA ILE 25 HA ILE 25 -4.865 2.907 -0.052 163 HB ILE 25 HB ILE 25 -2.808 3.854 -2.057 164 1HG1 ILE 25 2HG1 ILE 25 -3.186 1.081 -0.891 165 2HG1 ILE 25 1HG1 ILE 25 -3.568 1.543 -2.544 166 1HG2 ILE 25 1HG2 ILE 25 -2.338 4.528 0.231 167 2HG2 ILE 25 2HG2 ILE 25 -1.205 3.274 -0.272 168 3HG2 ILE 25 3HG2 ILE 25 -2.554 2.869 0.788 169 1HD1 ILE 25 1HD1 ILE 25 -0.839 1.526 -1.283 170 2HD1 ILE 25 2HD1 ILE 25 -1.202 2.054 -2.926 171 3HD1 ILE 25 3HD1 ILE 25 -1.466 0.373 -2.461 172 H TYR 26 H TYR 26 -4.126 4.796 1.140 173 HA TYR 26 HA TYR 26 -5.248 7.310 0.076 174 1HB TYR 26 2HB TYR 26 -6.683 5.896 1.674 175 2HB TYR 26 1HB TYR 26 -5.503 6.302 2.911 176 HD1 TYR 26 HD1 TYR 26 -5.035 8.903 3.104 177 HD2 TYR 26 HD2 TYR 26 -8.580 7.158 1.546 178 HE1 TYR 26 HE1 TYR 26 -6.299 10.949 3.675 179 HE2 TYR 26 HE2 TYR 26 -9.846 9.191 2.092 180 HH TYR 26 HH TYR 26 -9.634 11.065 3.763 181 H VAL 27 H VAL 27 -3.306 8.451 -0.200 182 HA VAL 27 HA VAL 27 -1.643 8.879 2.130 183 HB VAL 27 HB VAL 27 -0.372 7.088 1.565 184 1HG1 VAL 27 1HG1 VAL 27 0.030 6.259 -0.710 185 2HG1 VAL 27 2HG1 VAL 27 -0.971 7.566 -1.342 186 3HG1 VAL 27 3HG1 VAL 27 -1.685 6.335 -0.303 187 1HG2 VAL 27 1HG2 VAL 27 0.786 9.159 -0.295 188 2HG2 VAL 27 2HG2 VAL 27 1.630 7.745 0.334 189 3HG2 VAL 27 3HG2 VAL 27 1.106 9.020 1.434 190 H LYS 28 H LYS 28 -0.467 10.739 2.116 191 HA LYS 28 HA LYS 28 -1.080 12.674 0.052 192 1HB LYS 28 2HB LYS 28 0.073 14.277 1.509 193 2HB LYS 28 1HB LYS 28 -1.138 13.372 2.406 194 1HG LYS 28 2HG LYS 28 0.473 12.108 3.533 195 2HG LYS 28 1HG LYS 28 1.745 12.561 2.400 196 1HD LYS 28 2HD LYS 28 1.906 13.701 4.604 197 2HD LYS 28 1HD LYS 28 1.777 14.806 3.236 198 1HE LYS 28 2HE LYS 28 -0.560 15.172 3.695 199 2HE LYS 28 1HE LYS 28 -0.536 13.956 4.970 200 1HZ LYS 28 1HZ LYS 28 0.895 15.322 6.273 201 2HZ LYS 28 2HZ LYS 28 -0.425 16.269 5.790 202 3HZ LYS 28 3HZ LYS 28 1.077 16.449 5.018 203 H ASN 29 H ASN 29 0.427 13.703 -1.236 204 HA ASN 29 HA ASN 29 2.866 12.213 -1.756 205 1HB ASN 29 2HB ASN 29 2.990 13.367 -3.793 206 2HB ASN 29 1HB ASN 29 1.257 13.238 -3.526 207 1HD2 ASN 29 1HD2 ASN 29 0.127 15.083 -2.895 208 2HD2 ASN 29 2HD2 ASN 29 0.780 16.650 -3.216 209 H ILE 30 H ILE 30 4.842 12.770 -1.141 210 HA ILE 30 HA ILE 30 5.239 15.033 0.591 211 HB ILE 30 HB ILE 30 7.304 13.137 -0.535 212 1HG1 ILE 30 2HG1 ILE 30 5.676 11.843 0.677 213 2HG1 ILE 30 1HG1 ILE 30 7.120 11.988 1.669 214 1HG2 ILE 30 1HG2 ILE 30 8.611 13.826 1.462 215 2HG2 ILE 30 2HG2 ILE 30 7.385 15.053 1.779 216 3HG2 ILE 30 3HG2 ILE 30 8.338 15.124 0.299 217 1HD1 ILE 30 1HD1 ILE 30 4.977 12.220 2.896 218 2HD1 ILE 30 2HD1 ILE 30 4.683 13.715 2.005 219 3HD1 ILE 30 3HD1 ILE 30 6.073 13.591 3.085 220 H ALA 31 H ALA 31 6.654 13.988 -2.480 221 HA ALA 31 HA ALA 31 7.524 16.729 -2.983 222 1HB ALA 31 1HB ALA 31 9.051 15.764 -4.635 223 2HB ALA 31 2HB ALA 31 8.412 14.173 -4.256 224 3HB ALA 31 3HB ALA 31 9.287 15.077 -3.029 225 H TYR 32 H TYR 32 6.861 14.181 -5.329 226 HA TYR 32 HA TYR 32 4.419 15.380 -6.230 227 1HB TYR 32 2HB TYR 32 6.029 16.866 -7.321 228 2HB TYR 32 1HB TYR 32 6.872 15.482 -8.007 229 HD1 TYR 32 HD1 TYR 32 3.216 16.169 -7.806 230 HD2 TYR 32 HD2 TYR 32 6.619 15.696 -10.311 231 HE1 TYR 32 HE1 TYR 32 1.761 16.284 -9.794 232 HE2 TYR 32 HE2 TYR 32 5.182 15.806 -12.301 233 HH TYR 32 HH TYR 32 1.880 16.771 -12.164 234 H SER 33 H SER 33 6.973 13.494 -7.843 235 HA SER 33 HA SER 33 4.951 11.485 -8.510 236 1HB SER 33 2HB SER 33 6.432 12.530 -10.287 237 2HB SER 33 1HB SER 33 7.793 11.678 -9.543 238 HG SER 33 HG SER 33 5.621 10.668 -10.994 239 H LYS 34 H LYS 34 5.206 11.107 -6.040 240 HA LYS 34 HA LYS 34 7.411 9.388 -5.253 241 1HB LYS 34 2HB LYS 34 4.782 10.037 -3.896 242 2HB LYS 34 1HB LYS 34 6.114 9.141 -3.175 243 1HG LYS 34 2HG LYS 34 6.039 12.043 -3.950 244 2HG LYS 34 1HG LYS 34 6.282 11.334 -2.354 245 1HD LYS 34 2HD LYS 34 8.448 11.840 -2.860 246 2HD LYS 34 1HD LYS 34 8.352 10.220 -3.550 247 1HE LYS 34 2HE LYS 34 7.768 11.323 -5.742 248 2HE LYS 34 1HE LYS 34 8.185 12.860 -4.991 249 1HZ LYS 34 1HZ LYS 34 10.048 10.556 -5.185 250 2HZ LYS 34 2HZ LYS 34 10.420 12.142 -4.703 251 3HZ LYS 34 3HZ LYS 34 9.995 11.822 -6.308 252 H LYS 35 H LYS 35 6.959 7.113 -4.568 253 HA LYS 35 HA LYS 35 4.820 6.011 -6.235 254 1HB LYS 35 2HB LYS 35 6.357 4.045 -6.728 255 2HB LYS 35 1HB LYS 35 6.645 5.540 -7.594 256 1HG LYS 35 2HG LYS 35 8.544 6.038 -6.200 257 2HG LYS 35 1HG LYS 35 8.206 4.628 -5.187 258 1HD LYS 35 2HD LYS 35 8.749 3.124 -6.904 259 2HD LYS 35 1HD LYS 35 8.649 4.370 -8.145 260 1HE LYS 35 2HE LYS 35 10.960 3.753 -7.716 261 2HE LYS 35 1HE LYS 35 10.661 5.426 -7.248 262 1HZ LYS 35 1HZ LYS 35 10.687 4.858 -4.995 263 2HZ LYS 35 2HZ LYS 35 12.007 4.038 -5.666 264 3HZ LYS 35 3HZ LYS 35 10.581 3.192 -5.304 265 H VAL 36 H VAL 36 3.817 4.240 -5.583 266 HA VAL 36 HA VAL 36 4.273 3.545 -2.764 267 HB VAL 36 HB VAL 36 1.708 3.986 -4.284 268 1HG1 VAL 36 1HG1 VAL 36 0.474 3.111 -2.480 269 2HG1 VAL 36 2HG1 VAL 36 1.925 2.882 -1.521 270 3HG1 VAL 36 3HG1 VAL 36 1.638 1.865 -2.932 271 1HG2 VAL 36 1HG2 VAL 36 2.820 5.896 -3.221 272 2HG2 VAL 36 2HG2 VAL 36 2.747 5.065 -1.672 273 3HG2 VAL 36 3HG2 VAL 36 1.259 5.543 -2.489 274 H THR 37 H THR 37 4.813 1.543 -2.451 275 HA THR 37 HA THR 37 4.395 -0.346 -4.662 276 HB THR 37 HB THR 37 6.537 -1.424 -3.687 277 HG1 THR 37 HG1 THR 37 7.602 0.914 -2.964 278 1HG2 THR 37 1HG2 THR 37 6.274 1.039 -5.337 279 2HG2 THR 37 2HG2 THR 37 6.807 -0.577 -5.808 280 3HG2 THR 37 3HG2 THR 37 7.891 0.485 -4.905 281 H VAL 38 H VAL 38 3.109 -1.941 -4.226 282 HA VAL 38 HA VAL 38 2.545 -2.742 -1.494 283 HB VAL 38 HB VAL 38 1.546 -3.886 -4.112 284 1HG1 VAL 38 1HG1 VAL 38 1.547 -5.561 -2.265 285 2HG1 VAL 38 2HG1 VAL 38 -0.069 -5.131 -2.799 286 3HG1 VAL 38 3HG1 VAL 38 0.574 -4.456 -1.305 287 1HG2 VAL 38 1HG2 VAL 38 -0.457 -2.832 -2.494 288 2HG2 VAL 38 2HG2 VAL 38 0.047 -2.267 -4.084 289 3HG2 VAL 38 3HG2 VAL 38 0.788 -1.599 -2.623 290 H VAL 39 H VAL 39 3.925 -4.006 -0.506 291 HA VAL 39 HA VAL 39 5.090 -6.198 -2.097 292 HB VAL 39 HB VAL 39 6.570 -6.534 0.057 293 1HG1 VAL 39 1HG1 VAL 39 7.037 -4.325 -1.963 294 2HG1 VAL 39 2HG1 VAL 39 7.435 -6.030 -2.163 295 3HG1 VAL 39 3HG1 VAL 39 8.282 -5.064 -0.956 296 1HG2 VAL 39 1HG2 VAL 39 7.174 -4.423 1.133 297 2HG2 VAL 39 2HG2 VAL 39 5.464 -4.788 1.386 298 3HG2 VAL 39 3HG2 VAL 39 5.941 -3.575 0.196 299 H TYR 40 H TYR 40 3.787 -7.869 -1.984 300 HA TYR 40 HA TYR 40 2.718 -8.474 0.681 301 1HB TYR 40 2HB TYR 40 0.840 -9.482 -0.212 302 2HB TYR 40 1HB TYR 40 1.088 -8.152 -1.331 303 HD1 TYR 40 HD1 TYR 40 1.541 -8.556 -3.557 304 HD2 TYR 40 HD2 TYR 40 1.445 -11.840 -0.932 305 HE1 TYR 40 HE1 TYR 40 1.467 -10.042 -5.488 306 HE2 TYR 40 HE2 TYR 40 1.389 -13.383 -2.853 307 HH TYR 40 HH TYR 40 2.146 -12.467 -5.956 308 H ALA 41 H ALA 41 3.016 -10.238 1.574 309 HA ALA 41 HA ALA 41 5.111 -11.905 0.512 310 1HB ALA 41 1HB ALA 41 4.952 -12.847 2.817 311 2HB ALA 41 2HB ALA 41 3.791 -11.596 3.172 312 3HB ALA 41 3HB ALA 41 5.431 -11.179 2.721 313 H ASP 42 H ASP 42 4.516 -13.317 -0.735 314 HA ASP 42 HA ASP 42 2.157 -14.298 -1.523 315 1HB ASP 42 2HB ASP 42 4.512 -14.841 -2.393 316 2HB ASP 42 1HB ASP 42 4.514 -16.147 -1.218 317 H GLY 43 H GLY 43 1.443 -16.716 -1.298 318 1HA GLY 43 2HA GLY 43 0.010 -16.542 1.155 319 2HA GLY 43 1HA GLY 43 -0.190 -17.774 -0.074 320 H SER 44 H SER 44 2.998 -17.823 0.761 321 HA SER 44 HA SER 44 2.613 -20.163 2.430 322 1HB SER 44 2HB SER 44 4.287 -20.139 0.596 323 2HB SER 44 1HB SER 44 5.153 -18.865 1.461 324 HG SER 44 HG SER 44 4.972 -20.608 3.267 325 H ASP 45 H ASP 45 3.098 -16.870 2.827 326 HA ASP 45 HA ASP 45 3.259 -15.537 4.687 327 1HB ASP 45 2HB ASP 45 3.366 -18.174 6.165 328 2HB ASP 45 1HB ASP 45 3.538 -16.628 6.981 329 H ASN 46 H ASN 46 5.430 -15.666 3.142 330 HA ASN 46 HA ASN 46 7.659 -15.709 4.997 331 1HB ASN 46 2HB ASN 46 7.513 -18.087 4.490 332 2HB ASN 46 1HB ASN 46 7.467 -17.748 2.765 333 1HD2 ASN 46 1HD2 ASN 46 9.357 -17.324 1.686 334 2HD2 ASN 46 2HD2 ASN 46 10.923 -17.514 2.400 335 H TRP 47 H TRP 47 9.203 -14.266 4.330 336 HA TRP 47 HA TRP 47 8.821 -13.305 1.627 337 1HB TRP 47 2HB TRP 47 9.086 -11.847 3.986 338 2HB TRP 47 1HB TRP 47 10.536 -11.550 3.004 339 HD1 TRP 47 HD1 TRP 47 9.672 -11.740 0.211 340 HE1 TRP 47 HE1 TRP 47 7.862 -10.252 -0.864 341 HE3 TRP 47 HE3 TRP 47 7.320 -10.151 4.427 342 HZ2 TRP 47 HZ2 TRP 47 5.699 -8.721 0.042 343 HZ3 TRP 47 HZ3 TRP 47 5.450 -8.705 4.202 344 HH2 TRP 47 HH2 TRP 47 4.632 -7.984 2.076 345 H ASN 48 H ASN 48 10.023 -15.020 0.714 346 HA ASN 48 HA ASN 48 12.867 -15.118 0.994 347 1HB ASN 48 2HB ASN 48 11.448 -16.923 -0.073 348 2HB ASN 48 1HB ASN 48 11.186 -15.837 -1.432 349 1HD2 ASN 48 1HD2 ASN 48 12.830 -15.491 -2.896 350 2HD2 ASN 48 2HD2 ASN 48 14.291 -16.436 -2.909 351 H ASN 49 H ASN 49 14.408 -14.021 -0.316 352 HA ASN 49 HA ASN 49 13.737 -11.345 -0.872 353 1HB ASN 49 2HB ASN 49 16.034 -12.157 -0.304 354 2HB ASN 49 1HB ASN 49 16.147 -12.833 -1.932 355 1HD2 ASN 49 1HD2 ASN 49 16.063 -9.932 -0.025 356 2HD2 ASN 49 2HD2 ASN 49 16.589 -8.852 -1.280 357 H ASN 50 H ASN 50 12.056 -11.222 -2.271 358 HA ASN 50 HA ASN 50 12.678 -11.506 -5.086 359 1HB ASN 50 2HB ASN 50 11.718 -13.719 -4.421 360 2HB ASN 50 1HB ASN 50 10.260 -12.884 -3.873 361 1HD2 ASN 50 1HD2 ASN 50 8.948 -13.977 -5.306 362 2HD2 ASN 50 2HD2 ASN 50 8.968 -13.646 -7.021 363 H GLY 51 H GLY 51 11.325 -10.215 -6.364 364 1HA GLY 51 2HA GLY 51 10.279 -7.943 -4.935 365 2HA GLY 51 1HA GLY 51 10.535 -8.066 -6.674 366 H ASN 52 H ASN 52 8.630 -9.820 -4.261 367 HA ASN 52 HA ASN 52 6.325 -10.064 -5.933 368 1HB ASN 52 2HB ASN 52 6.724 -10.430 -2.958 369 2HB ASN 52 1HB ASN 52 5.166 -10.666 -3.740 370 1HD2 ASN 52 1HD2 ASN 52 6.834 -12.559 -2.294 371 2HD2 ASN 52 2HD2 ASN 52 7.162 -13.858 -3.399 372 H ILE 53 H ILE 53 6.772 -7.590 -6.337 373 HA ILE 53 HA ILE 53 5.077 -6.045 -4.506 374 HB ILE 53 HB ILE 53 7.347 -5.238 -4.401 375 1HG1 ILE 53 2HG1 ILE 53 5.275 -3.617 -4.674 376 2HG1 ILE 53 1HG1 ILE 53 6.913 -2.993 -4.548 377 1HG2 ILE 53 1HG2 ILE 53 8.243 -4.138 -6.596 378 2HG2 ILE 53 2HG2 ILE 53 7.193 -5.330 -7.367 379 3HG2 ILE 53 3HG2 ILE 53 8.484 -5.859 -6.284 380 1HD1 ILE 53 1HD1 ILE 53 5.334 -3.368 -7.086 381 2HD1 ILE 53 2HD1 ILE 53 6.999 -2.793 -6.999 382 3HD1 ILE 53 3HD1 ILE 53 5.698 -1.839 -6.286 383 H ILE 54 H ILE 54 3.482 -4.874 -5.311 384 HA ILE 54 HA ILE 54 3.197 -4.746 -8.238 385 HB ILE 54 HB ILE 54 1.524 -6.260 -7.068 386 1HG1 ILE 54 2HG1 ILE 54 -0.445 -5.229 -8.313 387 2HG1 ILE 54 1HG1 ILE 54 0.652 -3.915 -8.737 388 1HG2 ILE 54 1HG2 ILE 54 0.388 -3.670 -6.064 389 2HG2 ILE 54 2HG2 ILE 54 1.150 -4.921 -5.081 390 3HG2 ILE 54 3HG2 ILE 54 -0.356 -5.266 -5.933 391 1HD1 ILE 54 1HD1 ILE 54 1.178 -6.811 -9.338 392 2HD1 ILE 54 2HD1 ILE 54 2.090 -5.412 -9.915 393 3HD1 ILE 54 3HD1 ILE 54 0.435 -5.679 -10.471 394 H ALA 55 H ALA 55 2.923 -2.720 -9.056 395 HA ALA 55 HA ALA 55 3.378 -0.583 -7.158 396 1HB ALA 55 1HB ALA 55 4.733 -0.767 -9.215 397 2HB ALA 55 2HB ALA 55 3.914 0.789 -9.060 398 3HB ALA 55 3HB ALA 55 3.283 -0.433 -10.168 399 H ALA 56 H ALA 56 1.900 0.822 -6.482 400 HA ALA 56 HA ALA 56 -0.831 0.616 -7.377 401 1HB ALA 56 1HB ALA 56 -1.312 2.231 -5.633 402 2HB ALA 56 2HB ALA 56 0.398 2.587 -5.454 403 3HB ALA 56 3HB ALA 56 -0.220 1.000 -5.002 404 H SER 57 H SER 57 -2.080 2.513 -8.130 405 HA SER 57 HA SER 57 -0.384 4.373 -9.661 406 1HB SER 57 2HB SER 57 -1.728 2.515 -10.934 407 2HB SER 57 1HB SER 57 -3.110 3.551 -10.586 408 HG SER 57 HG SER 57 -2.390 5.039 -11.933 409 H PHE 58 H PHE 58 -0.726 6.426 -9.068 410 HA PHE 58 HA PHE 58 -2.894 6.994 -7.342 411 1HB PHE 58 2HB PHE 58 -1.930 9.213 -7.079 412 2HB PHE 58 1HB PHE 58 -0.783 7.926 -6.719 413 HD1 PHE 58 HD1 PHE 58 -1.815 10.355 -9.262 414 HD2 PHE 58 HD2 PHE 58 1.262 7.771 -7.891 415 HE1 PHE 58 HE1 PHE 58 -0.291 11.332 -10.862 416 HE2 PHE 58 HE2 PHE 58 2.826 8.766 -9.514 417 HZ PHE 58 HZ PHE 58 2.049 10.563 -11.014 418 H SER 59 H SER 59 -4.638 8.125 -7.687 419 HA SER 59 HA SER 59 -5.130 9.093 -10.404 420 1HB SER 59 2HB SER 59 -7.022 8.737 -8.054 421 2HB SER 59 1HB SER 59 -7.492 9.296 -9.659 422 HG SER 59 HG SER 59 -6.702 6.733 -8.817 423 H GLY 60 H GLY 60 -5.189 10.058 -7.003 424 1HA GLY 60 2HA GLY 60 -3.736 12.010 -6.575 425 2HA GLY 60 1HA GLY 60 -4.538 12.784 -7.930 426 HA PRO 61 HA PRO 61 -7.096 15.151 -5.566 427 1HB PRO 61 2HB PRO 61 -9.627 14.637 -6.498 428 2HB PRO 61 1HB PRO 61 -8.450 15.690 -7.288 429 1HG PRO 61 2HG PRO 61 -9.023 12.787 -7.809 430 2HG PRO 61 1HG PRO 61 -8.852 14.114 -8.983 431 1HD PRO 61 2HD PRO 61 -6.829 12.492 -8.596 432 2HD PRO 61 1HD PRO 61 -6.520 14.246 -8.625 433 H ILE 62 H ILE 62 -7.275 14.728 -3.502 434 HA ILE 62 HA ILE 62 -9.758 13.361 -2.719 435 HB ILE 62 HB ILE 62 -7.236 13.651 -1.065 436 1HG1 ILE 62 2HG1 ILE 62 -8.754 11.270 -2.141 437 2HG1 ILE 62 1HG1 ILE 62 -7.112 11.762 -2.544 438 1HG2 ILE 62 1HG2 ILE 62 -9.752 12.335 -0.137 439 2HG2 ILE 62 2HG2 ILE 62 -9.488 14.059 0.112 440 3HG2 ILE 62 3HG2 ILE 62 -8.378 12.882 0.821 441 1HD1 ILE 62 1HD1 ILE 62 -7.870 10.995 0.245 442 2HD1 ILE 62 2HD1 ILE 62 -6.272 11.063 -0.504 443 3HD1 ILE 62 3HD1 ILE 62 -7.407 9.798 -0.963 444 H SER 63 H SER 63 -11.018 15.156 -2.962 445 HA SER 63 HA SER 63 -10.171 17.759 -2.176 446 1HB SER 63 2HB SER 63 -12.956 16.780 -2.847 447 2HB SER 63 1HB SER 63 -12.415 18.459 -2.817 448 HG SER 63 HG SER 63 -10.990 17.965 -4.523 449 H GLY 64 H GLY 64 -10.087 18.511 -0.200 450 1HA GLY 64 2HA GLY 64 -11.614 19.071 1.732 451 2HA GLY 64 1HA GLY 64 -11.879 17.335 1.839 452 H SER 65 H SER 65 -8.881 17.227 0.962 453 HA SER 65 HA SER 65 -7.514 18.121 3.350 454 1HB SER 65 2HB SER 65 -7.572 15.160 2.714 455 2HB SER 65 1HB SER 65 -6.778 15.939 4.078 456 HG SER 65 HG SER 65 -9.210 16.715 4.302 457 H ASN 66 H ASN 66 -5.132 17.532 3.188 458 HA ASN 66 HA ASN 66 -4.324 17.726 0.387 459 1HB ASN 66 2HB ASN 66 -3.382 19.325 2.067 460 2HB ASN 66 1HB ASN 66 -2.592 17.966 2.859 461 1HD2 ASN 66 1HD2 ASN 66 -2.708 19.921 -0.037 462 2HD2 ASN 66 2HD2 ASN 66 -1.143 19.480 -0.629 463 H TYR 67 H TYR 67 -5.165 15.465 0.291 464 HA TYR 67 HA TYR 67 -2.910 13.623 0.603 465 1HB TYR 67 2HB TYR 67 -5.592 13.359 1.791 466 2HB TYR 67 1HB TYR 67 -5.054 11.945 0.895 467 HD1 TYR 67 HD1 TYR 67 -3.529 14.359 3.269 468 HD2 TYR 67 HD2 TYR 67 -4.114 10.306 2.203 469 HE1 TYR 67 HE1 TYR 67 -2.237 13.667 5.248 470 HE2 TYR 67 HE2 TYR 67 -2.814 9.587 4.160 471 HH TYR 67 HH TYR 67 -1.149 10.446 5.671 472 H GLU 68 H GLU 68 -2.888 11.950 -0.920 473 HA GLU 68 HA GLU 68 -4.543 12.510 -3.283 474 1HB GLU 68 2HB GLU 68 -1.769 11.398 -2.949 475 2HB GLU 68 1HB GLU 68 -2.689 10.994 -4.386 476 1HG GLU 68 2HG GLU 68 -1.220 12.840 -4.813 477 2HG GLU 68 1HG GLU 68 -2.897 13.367 -4.915 478 H TYR 69 H TYR 69 -4.525 10.204 -4.681 479 HA TYR 69 HA TYR 69 -5.805 8.326 -2.870 480 1HB TYR 69 2HB TYR 69 -7.458 10.181 -3.722 481 2HB TYR 69 1HB TYR 69 -7.386 9.279 -5.238 482 HD1 TYR 69 HD1 TYR 69 -7.292 7.993 -1.764 483 HD2 TYR 69 HD2 TYR 69 -9.526 8.267 -5.374 484 HE1 TYR 69 HE1 TYR 69 -8.947 6.429 -0.847 485 HE2 TYR 69 HE2 TYR 69 -11.191 6.693 -4.468 486 HH TYR 69 HH TYR 69 -11.338 5.888 -1.178 487 H TRP 70 H TRP 70 -5.220 6.406 -3.469 488 HA TRP 70 HA TRP 70 -3.940 6.204 -6.104 489 1HB TRP 70 2HB TRP 70 -3.151 4.874 -3.510 490 2HB TRP 70 1HB TRP 70 -2.229 4.901 -5.008 491 HD1 TRP 70 HD1 TRP 70 -3.631 7.746 -2.704 492 HE1 TRP 70 HE1 TRP 70 -1.714 9.426 -2.406 493 HE3 TRP 70 HE3 TRP 70 -0.223 5.587 -5.440 494 HZ2 TRP 70 HZ2 TRP 70 0.940 9.773 -3.186 495 HZ3 TRP 70 HZ3 TRP 70 2.066 6.474 -5.648 496 HH2 TRP 70 HH2 TRP 70 2.620 8.610 -4.542 497 H THR 71 H THR 71 -4.700 4.600 -7.375 498 HA THR 71 HA THR 71 -6.365 2.531 -6.104 499 HB THR 71 HB THR 71 -7.805 2.804 -8.260 500 HG1 THR 71 HG1 THR 71 -7.469 4.560 -9.408 501 1HG2 THR 71 1HG2 THR 71 -7.866 4.753 -5.962 502 2HG2 THR 71 2HG2 THR 71 -8.746 3.232 -6.104 503 3HG2 THR 71 3HG2 THR 71 -9.164 4.593 -7.145 504 H PHE 72 H PHE 72 -6.355 0.503 -7.134 505 HA PHE 72 HA PHE 72 -5.481 0.177 -9.769 506 1HB PHE 72 2HB PHE 72 -3.316 -0.801 -9.549 507 2HB PHE 72 1HB PHE 72 -3.276 0.710 -8.651 508 HD1 PHE 72 HD1 PHE 72 -4.102 0.328 -6.066 509 HD2 PHE 72 HD2 PHE 72 -2.230 -2.540 -8.589 510 HE1 PHE 72 HE1 PHE 72 -3.316 -0.899 -4.080 511 HE2 PHE 72 HE2 PHE 72 -1.445 -3.766 -6.613 512 HZ PHE 72 HZ PHE 72 -1.984 -2.948 -4.359 513 H SER 73 H SER 73 -5.449 -1.997 -10.494 514 HA SER 73 HA SER 73 -6.435 -3.977 -8.555 515 1HB SER 73 2HB SER 73 -6.779 -3.981 -11.570 516 2HB SER 73 1HB SER 73 -7.444 -5.163 -10.442 517 HG SER 73 HG SER 73 -8.069 -2.391 -10.514 518 H ALA 74 H ALA 74 -5.440 -6.046 -8.604 519 HA ALA 74 HA ALA 74 -2.904 -6.178 -10.091 520 1HB ALA 74 1HB ALA 74 -2.757 -7.048 -7.285 521 2HB ALA 74 2HB ALA 74 -2.923 -5.314 -7.537 522 3HB ALA 74 3HB ALA 74 -1.574 -6.185 -8.272 523 H SER 75 H SER 75 -2.615 -8.115 -10.997 524 HA SER 75 HA SER 75 -4.160 -10.404 -10.134 525 1HB SER 75 2HB SER 75 -3.647 -10.058 -12.535 526 2HB SER 75 1HB SER 75 -1.927 -10.211 -12.184 527 HG SER 75 HG SER 75 -3.806 -12.245 -11.548 528 H VAL 76 H VAL 76 -3.561 -11.140 -8.170 529 HA VAL 76 HA VAL 76 -0.703 -11.422 -7.591 530 HB VAL 76 HB VAL 76 -1.314 -11.744 -5.257 531 1HG1 VAL 76 1HG1 VAL 76 -2.404 -9.529 -4.829 532 2HG1 VAL 76 2HG1 VAL 76 -2.659 -9.398 -6.567 533 3HG1 VAL 76 3HG1 VAL 76 -1.018 -9.469 -5.925 534 1HG2 VAL 76 1HG2 VAL 76 -3.571 -11.642 -4.454 535 2HG2 VAL 76 2HG2 VAL 76 -3.456 -12.923 -5.658 536 3HG2 VAL 76 3HG2 VAL 76 -4.189 -11.381 -6.085 537 H LYS 77 H LYS 77 0.101 -13.434 -6.698 538 HA LYS 77 HA LYS 77 -1.187 -15.662 -8.117 539 1HB LYS 77 2HB LYS 77 1.648 -15.347 -7.108 540 2HB LYS 77 1HB LYS 77 1.033 -16.778 -7.920 541 1HG LYS 77 2HG LYS 77 2.190 -15.612 -9.569 542 2HG LYS 77 1HG LYS 77 0.497 -15.228 -9.876 543 1HD LYS 77 2HD LYS 77 0.735 -13.075 -8.863 544 2HD LYS 77 1HD LYS 77 2.352 -13.470 -8.280 545 1HE LYS 77 2HE LYS 77 1.514 -13.201 -11.166 546 2HE LYS 77 1HE LYS 77 2.447 -12.023 -10.243 547 1HZ LYS 77 1HZ LYS 77 3.988 -13.265 -11.501 548 2HZ LYS 77 2HZ LYS 77 3.272 -14.743 -11.088 549 3HZ LYS 77 3HZ LYS 77 4.124 -13.861 -9.913 550 H GLY 78 H GLY 78 -1.559 -14.528 -5.241 551 1HA GLY 78 2HA GLY 78 -2.658 -16.136 -3.658 552 2HA GLY 78 1HA GLY 78 -1.186 -17.088 -3.820 553 H ILE 79 H ILE 79 -2.718 -14.574 -2.149 554 HA ILE 79 HA ILE 79 -0.176 -13.677 -0.991 555 HB ILE 79 HB ILE 79 -1.239 -11.940 -2.237 556 1HG1 ILE 79 2HG1 ILE 79 -1.819 -11.414 0.669 557 2HG1 ILE 79 1HG1 ILE 79 -0.221 -11.289 -0.068 558 1HG2 ILE 79 1HG2 ILE 79 -3.507 -11.122 -1.438 559 2HG2 ILE 79 2HG2 ILE 79 -3.688 -12.729 -0.732 560 3HG2 ILE 79 3HG2 ILE 79 -3.452 -12.547 -2.473 561 1HD1 ILE 79 1HD1 ILE 79 -1.053 -9.118 -0.041 562 2HD1 ILE 79 2HD1 ILE 79 -2.652 -9.615 -0.573 563 3HD1 ILE 79 3HD1 ILE 79 -1.292 -9.654 -1.694 564 H LYS 80 H LYS 80 -0.236 -13.080 1.263 565 HA LYS 80 HA LYS 80 -2.383 -14.337 2.811 566 1HB LYS 80 2HB LYS 80 -0.543 -15.982 2.482 567 2HB LYS 80 1HB LYS 80 0.551 -14.862 3.301 568 1HG LYS 80 2HG LYS 80 -0.139 -16.445 4.901 569 2HG LYS 80 1HG LYS 80 -1.000 -14.952 5.265 570 1HD LYS 80 2HD LYS 80 -2.599 -16.685 5.459 571 2HD LYS 80 1HD LYS 80 -2.930 -15.883 3.923 572 1HE LYS 80 2HE LYS 80 -3.061 -18.239 3.564 573 2HE LYS 80 1HE LYS 80 -1.590 -17.649 2.790 574 1HZ LYS 80 1HZ LYS 80 -1.787 -19.062 5.393 575 2HZ LYS 80 2HZ LYS 80 -0.359 -18.372 4.792 576 3HZ LYS 80 3HZ LYS 80 -1.097 -19.653 3.961 577 H GLU 81 H GLU 81 0.577 -12.430 2.900 578 HA GLU 81 HA GLU 81 -0.585 -10.673 4.908 579 1HB GLU 81 2HB GLU 81 1.231 -10.879 6.462 580 2HB GLU 81 1HB GLU 81 0.618 -12.494 6.132 581 1HG GLU 81 2HG GLU 81 2.478 -13.117 4.933 582 2HG GLU 81 1HG GLU 81 2.925 -11.453 4.564 583 H PHE 82 H PHE 82 0.660 -8.615 5.087 584 HA PHE 82 HA PHE 82 2.922 -8.183 3.413 585 1HB PHE 82 2HB PHE 82 1.882 -6.795 1.677 586 2HB PHE 82 1HB PHE 82 1.263 -8.439 1.624 587 HD1 PHE 82 HD1 PHE 82 0.460 -4.939 2.252 588 HD2 PHE 82 HD2 PHE 82 -1.038 -8.923 2.273 589 HE1 PHE 82 HE1 PHE 82 -1.838 -4.070 2.328 590 HE2 PHE 82 HE2 PHE 82 -3.338 -8.057 2.354 591 HZ PHE 82 HZ PHE 82 -3.741 -5.630 2.379 592 H TYR 83 H TYR 83 3.227 -5.815 2.947 593 HA TYR 83 HA TYR 83 1.714 -3.946 4.529 594 1HB TYR 83 2HB TYR 83 4.038 -2.860 5.181 595 2HB TYR 83 1HB TYR 83 3.283 -4.070 6.205 596 HD1 TYR 83 HD1 TYR 83 5.476 -4.182 3.170 597 HD2 TYR 83 HD2 TYR 83 4.811 -5.482 7.161 598 HE1 TYR 83 HE1 TYR 83 7.530 -5.537 3.066 599 HE2 TYR 83 HE2 TYR 83 6.857 -6.839 7.070 600 HH TYR 83 HH TYR 83 8.301 -7.885 5.432 601 H ILE 84 H ILE 84 1.909 -1.776 3.697 602 HA ILE 84 HA ILE 84 2.860 -1.827 0.919 603 HB ILE 84 HB ILE 84 0.997 0.209 2.140 604 1HG1 ILE 84 2HG1 ILE 84 -0.101 -1.941 2.322 605 2HG1 ILE 84 1HG1 ILE 84 -0.818 -1.059 0.977 606 1HG2 ILE 84 1HG2 ILE 84 0.392 0.569 -0.243 607 2HG2 ILE 84 2HG2 ILE 84 1.698 -0.528 -0.697 608 3HG2 ILE 84 3HG2 ILE 84 2.061 0.984 0.138 609 1HD1 ILE 84 1HD1 ILE 84 1.172 -3.297 0.804 610 2HD1 ILE 84 2HD1 ILE 84 0.602 -2.348 -0.569 611 3HD1 ILE 84 3HD1 ILE 84 -0.533 -3.340 0.349 612 H LYS 85 H LYS 85 4.466 -0.494 0.243 613 HA LYS 85 HA LYS 85 5.757 1.059 2.319 614 1HB LYS 85 2HB LYS 85 6.773 0.272 -0.407 615 2HB LYS 85 1HB LYS 85 7.704 1.020 0.881 616 1HG LYS 85 2HG LYS 85 7.241 -1.008 2.270 617 2HG LYS 85 1HG LYS 85 6.557 -1.752 0.819 618 1HD LYS 85 2HD LYS 85 9.302 -0.578 0.982 619 2HD LYS 85 1HD LYS 85 8.967 -2.295 1.226 620 1HE LYS 85 2HE LYS 85 8.019 -2.395 -1.046 621 2HE LYS 85 1HE LYS 85 8.400 -0.688 -1.269 622 1HZ LYS 85 1HZ LYS 85 10.766 -1.283 -0.887 623 2HZ LYS 85 2HZ LYS 85 10.105 -1.964 -2.287 624 3HZ LYS 85 3HZ LYS 85 10.323 -2.921 -0.901 625 H TYR 86 H TYR 86 6.313 3.105 2.071 626 HA TYR 86 HA TYR 86 5.148 4.580 -0.197 627 1HB TYR 86 2HB TYR 86 4.313 5.252 2.076 628 2HB TYR 86 1HB TYR 86 5.963 5.706 2.498 629 HD1 TYR 86 HD1 TYR 86 4.201 6.249 -0.714 630 HD2 TYR 86 HD2 TYR 86 5.803 8.040 2.781 631 HE1 TYR 86 HE1 TYR 86 3.799 8.452 -1.674 632 HE2 TYR 86 HE2 TYR 86 5.408 10.268 1.822 633 HH TYR 86 HH TYR 86 3.401 10.894 -0.602 634 H GLU 87 H GLU 87 6.730 4.745 -1.691 635 HA GLU 87 HA GLU 87 9.471 4.909 -0.676 636 1HB GLU 87 2HB GLU 87 8.584 2.986 -2.186 637 2HB GLU 87 1HB GLU 87 8.764 4.154 -3.484 638 1HG GLU 87 2HG GLU 87 11.053 4.235 -3.262 639 2HG GLU 87 1HG GLU 87 11.022 3.598 -1.622 640 H VAL 88 H VAL 88 10.184 6.837 -0.609 641 HA VAL 88 HA VAL 88 9.478 8.808 -2.682 642 HB VAL 88 HB VAL 88 10.554 9.321 0.073 643 1HG1 VAL 88 1HG1 VAL 88 9.758 11.552 -0.156 644 2HG1 VAL 88 2HG1 VAL 88 9.002 11.155 -1.691 645 3HG1 VAL 88 3HG1 VAL 88 10.758 11.156 -1.554 646 1HG2 VAL 88 1HG2 VAL 88 7.702 9.058 -0.767 647 2HG2 VAL 88 2HG2 VAL 88 8.185 9.874 0.710 648 3HG2 VAL 88 3HG2 VAL 88 8.548 8.165 0.488 649 H SER 89 H SER 89 11.319 10.369 -3.148 650 HA SER 89 HA SER 89 13.610 8.857 -3.888 651 1HB SER 89 2HB SER 89 13.280 11.855 -3.976 652 2HB SER 89 1HB SER 89 14.391 10.869 -4.924 653 HG SER 89 HG SER 89 12.600 9.918 -5.954 654 H GLY 90 H GLY 90 12.804 10.591 -1.068 655 1HA GLY 90 2HA GLY 90 15.580 10.258 -0.153 656 2HA GLY 90 1HA GLY 90 14.712 11.748 0.173 657 H LYS 91 H LYS 91 12.407 9.420 0.360 658 HA LYS 91 HA LYS 91 12.977 8.740 3.138 659 1HB LYS 91 2HB LYS 91 11.149 10.788 2.291 660 2HB LYS 91 1HB LYS 91 10.275 9.498 3.068 661 1HG LYS 91 2HG LYS 91 12.633 10.790 4.254 662 2HG LYS 91 1HG LYS 91 10.998 11.324 4.568 663 1HD LYS 91 2HD LYS 91 10.501 9.045 5.425 664 2HD LYS 91 1HD LYS 91 12.198 8.624 5.197 665 1HE LYS 91 2HE LYS 91 11.126 10.781 7.014 666 2HE LYS 91 1HE LYS 91 11.748 9.210 7.520 667 1HZ LYS 91 1HZ LYS 91 13.289 11.383 6.208 668 2HZ LYS 91 2HZ LYS 91 13.907 9.844 6.555 669 3HZ LYS 91 3HZ LYS 91 13.434 10.872 7.817 670 H THR 92 H THR 92 11.586 7.097 3.992 671 HA THR 92 HA THR 92 9.692 5.838 2.190 672 HB THR 92 HB THR 92 11.775 4.120 3.523 673 HG1 THR 92 HG1 THR 92 11.965 5.607 1.234 674 1HG2 THR 92 1HG2 THR 92 9.656 3.021 2.981 675 2HG2 THR 92 2HG2 THR 92 10.957 2.414 1.956 676 3HG2 THR 92 3HG2 THR 92 9.794 3.572 1.312 677 H TYR 93 H TYR 93 8.071 4.812 3.249 678 HA TYR 93 HA TYR 93 8.267 4.426 6.147 679 1HB TYR 93 2HB TYR 93 5.768 5.589 4.904 680 2HB TYR 93 1HB TYR 93 6.140 5.411 6.611 681 HD1 TYR 93 HD1 TYR 93 6.653 7.358 3.635 682 HD2 TYR 93 HD2 TYR 93 7.586 7.014 7.749 683 HE1 TYR 93 HE1 TYR 93 7.458 9.693 3.630 684 HE2 TYR 93 HE2 TYR 93 8.396 9.339 7.779 685 HH TYR 93 HH TYR 93 7.816 11.513 5.210 686 H TYR 94 H TYR 94 5.774 3.474 6.597 687 HA TYR 94 HA TYR 94 5.268 1.344 4.690 688 1HB TYR 94 2HB TYR 94 6.124 0.742 7.534 689 2HB TYR 94 1HB TYR 94 5.493 -0.440 6.397 690 HD1 TYR 94 HD1 TYR 94 6.858 -0.708 4.174 691 HD2 TYR 94 HD2 TYR 94 8.400 1.034 7.731 692 HE1 TYR 94 HE1 TYR 94 9.145 -1.190 3.412 693 HE2 TYR 94 HE2 TYR 94 10.691 0.565 6.978 694 HH TYR 94 HH TYR 94 11.854 -0.949 5.468 695 H ASP 95 H ASP 95 3.141 1.138 4.535 696 HA ASP 95 HA ASP 95 1.452 1.629 6.875 697 1HB ASP 95 2HB ASP 95 0.674 2.482 4.671 698 2HB ASP 95 1HB ASP 95 0.669 0.832 4.051 699 H ASN 96 H ASN 96 1.751 -0.016 8.241 700 HA ASN 96 HA ASN 96 1.848 -2.748 7.156 701 1HB ASN 96 2HB ASN 96 3.716 -3.191 8.748 702 2HB ASN 96 1HB ASN 96 4.119 -1.995 7.521 703 1HD2 ASN 96 1HD2 ASN 96 5.579 -2.214 9.846 704 2HD2 ASN 96 2HD2 ASN 96 5.327 -0.793 10.809 705 H ASN 97 H ASN 97 -0.421 -1.622 8.295 706 HA ASN 97 HA ASN 97 -2.116 -2.187 9.640 707 1HB ASN 97 2HB ASN 97 -2.298 -4.329 10.270 708 2HB ASN 97 1HB ASN 97 -0.768 -4.528 9.446 709 1HD2 ASN 97 1HD2 ASN 97 -1.957 -6.085 11.515 710 2HD2 ASN 97 2HD2 ASN 97 -0.828 -6.110 12.845 711 H ASN 98 H ASN 98 0.976 -1.787 11.133 712 HA ASN 98 HA ASN 98 0.337 0.276 12.826 713 1HB ASN 98 2HB ASN 98 -1.110 -1.292 14.078 714 2HB ASN 98 1HB ASN 98 0.242 -2.407 14.250 715 1HD2 ASN 98 1HD2 ASN 98 -1.101 0.651 15.244 716 2HD2 ASN 98 2HD2 ASN 98 -0.080 0.868 16.633 717 H SER 99 H SER 99 1.974 -2.837 13.184 718 HA SER 99 HA SER 99 4.498 -1.727 12.424 719 1HB SER 99 2HB SER 99 4.124 -2.722 15.262 720 2HB SER 99 1HB SER 99 5.681 -2.357 14.523 721 HG SER 99 HG SER 99 3.919 -0.292 14.285 722 H ALA 100 H ALA 100 2.654 -3.885 11.587 723 HA ALA 100 HA ALA 100 4.523 -6.126 11.840 724 1HB ALA 100 1HB ALA 100 2.555 -7.665 12.222 725 2HB ALA 100 2HB ALA 100 1.616 -6.219 12.583 726 3HB ALA 100 3HB ALA 100 3.014 -6.631 13.573 727 H ASN 101 H ASN 101 1.231 -6.306 10.609 728 HA ASN 101 HA ASN 101 1.829 -6.326 7.848 729 1HB ASN 101 2HB ASN 101 1.679 -8.851 7.548 730 2HB ASN 101 1HB ASN 101 3.204 -8.225 8.153 731 1HD2 ASN 101 1HD2 ASN 101 0.335 -8.568 10.171 732 2HD2 ASN 101 2HD2 ASN 101 0.962 -9.855 11.147 733 H TYR 102 H TYR 102 0.030 -6.799 6.574 734 HA TYR 102 HA TYR 102 -2.495 -6.966 8.014 735 1HB TYR 102 2HB TYR 102 -1.820 -6.514 5.106 736 2HB TYR 102 1HB TYR 102 -3.472 -6.718 5.680 737 HD1 TYR 102 HD1 TYR 102 -0.671 -4.459 5.373 738 HD2 TYR 102 HD2 TYR 102 -4.444 -5.051 7.242 739 HE1 TYR 102 HE1 TYR 102 -0.782 -2.062 5.895 740 HE2 TYR 102 HE2 TYR 102 -4.571 -2.653 7.765 741 HH TYR 102 HH TYR 102 -2.369 -0.360 6.421 742 H GLN 103 H GLN 103 -3.909 -8.637 7.905 743 HA GLN 103 HA GLN 103 -2.868 -11.165 6.853 744 1HB GLN 103 2HB GLN 103 -4.930 -10.440 8.908 745 2HB GLN 103 1HB GLN 103 -4.978 -12.016 8.144 746 1HG GLN 103 2HG GLN 103 -3.835 -11.928 10.353 747 2HG GLN 103 1HG GLN 103 -2.892 -12.631 9.043 748 1HE2 GLN 103 1HE2 GLN 103 -1.110 -11.611 8.317 749 2HE2 GLN 103 2HE2 GLN 103 -0.367 -10.286 9.144 750 H VAL 104 H VAL 104 -3.575 -11.853 4.948 751 HA VAL 104 HA VAL 104 -5.862 -10.610 3.697 752 HB VAL 104 HB VAL 104 -4.015 -12.786 2.710 753 1HG1 VAL 104 1HG1 VAL 104 -4.967 -12.274 0.484 754 2HG1 VAL 104 2HG1 VAL 104 -6.143 -11.214 1.259 755 3HG1 VAL 104 3HG1 VAL 104 -6.159 -12.945 1.598 756 1HG2 VAL 104 1HG2 VAL 104 -4.125 -9.889 1.900 757 2HG2 VAL 104 2HG2 VAL 104 -2.901 -11.088 1.482 758 3HG2 VAL 104 3HG2 VAL 104 -3.040 -10.512 3.142 759 H SER 105 H SER 105 -7.853 -11.351 3.711 760 HA SER 105 HA SER 105 -8.450 -13.940 4.852 761 1HB SER 105 2HB SER 105 -10.856 -13.053 4.443 762 2HB SER 105 1HB SER 105 -9.867 -12.266 5.673 763 HG SER 105 HG SER 105 -11.057 -10.976 3.912 764 H THR 106 H THR 106 -7.282 -14.870 2.881 765 HA THR 106 HA THR 106 -8.839 -14.966 0.448 766 HB THR 106 HB THR 106 -6.971 -16.818 0.000 767 HG1 THR 106 HG1 THR 106 -5.743 -16.927 1.742 768 1HG2 THR 106 1HG2 THR 106 -7.261 -14.667 -1.212 769 2HG2 THR 106 2HG2 THR 106 -5.569 -15.086 -0.955 770 3HG2 THR 106 3HG2 THR 106 -6.336 -13.862 0.056 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -9.114 10.387 15.159 2 2H ALA 1 2H ALA 1 -8.220 11.688 15.777 3 3H ALA 1 3H ALA 1 -8.080 10.149 16.482 4 HA ALA 1 HA ALA 1 -6.164 10.618 15.117 5 1HB ALA 1 1HB ALA 1 -6.926 8.308 15.299 6 2HB ALA 1 2HB ALA 1 -6.257 8.621 13.697 7 3HB ALA 1 3HB ALA 1 -8.004 8.543 13.923 8 H SER 2 H SER 2 -5.545 10.386 12.654 9 HA SER 2 HA SER 2 -7.398 11.779 10.904 10 1HB SER 2 2HB SER 2 -6.068 13.562 12.063 11 2HB SER 2 1HB SER 2 -4.603 12.855 11.389 12 HG SER 2 HG SER 2 -5.336 14.572 10.092 13 H ILE 3 H ILE 3 -5.944 12.171 8.736 14 HA ILE 3 HA ILE 3 -5.595 9.623 7.648 15 HB ILE 3 HB ILE 3 -4.595 12.294 6.646 16 1HG1 ILE 3 2HG1 ILE 3 -6.461 11.894 4.954 17 2HG1 ILE 3 1HG1 ILE 3 -7.003 10.588 5.997 18 1HG2 ILE 3 1HG2 ILE 3 -3.189 10.569 5.703 19 2HG2 ILE 3 2HG2 ILE 3 -4.276 11.197 4.464 20 3HG2 ILE 3 3HG2 ILE 3 -4.606 9.638 5.219 21 1HD1 ILE 3 1HD1 ILE 3 -8.282 12.622 6.359 22 2HD1 ILE 3 2HD1 ILE 3 -6.803 13.491 6.769 23 3HD1 ILE 3 3HD1 ILE 3 -7.372 12.180 7.804 24 HA PRO 4 HA PRO 4 -1.003 9.840 8.608 25 1HB PRO 4 2HB PRO 4 0.213 12.183 9.237 26 2HB PRO 4 1HB PRO 4 -0.022 11.637 7.577 27 1HG PRO 4 2HG PRO 4 -1.306 13.842 8.981 28 2HG PRO 4 1HG PRO 4 -1.306 13.471 7.252 29 1HD PRO 4 2HD PRO 4 -3.362 12.930 9.242 30 2HD PRO 4 1HD PRO 4 -3.452 12.782 7.476 31 H SER 5 H SER 5 -0.243 9.106 10.524 32 HA SER 5 HA SER 5 -0.781 10.603 12.960 33 1HB SER 5 2HB SER 5 -2.737 9.063 12.631 34 2HB SER 5 1HB SER 5 -1.621 7.701 12.713 35 HG SER 5 HG SER 5 -2.810 8.695 14.723 36 H SER 6 H SER 6 0.244 7.282 12.164 37 HA SER 6 HA SER 6 2.808 7.839 13.479 38 1HB SER 6 2HB SER 6 1.662 5.183 12.590 39 2HB SER 6 1HB SER 6 3.065 5.435 13.631 40 HG SER 6 HG SER 6 0.359 5.539 14.218 41 H ALA 7 H ALA 7 1.251 6.935 10.514 42 HA ALA 7 HA ALA 7 3.795 7.258 9.078 43 1HB ALA 7 1HB ALA 7 2.980 5.708 7.424 44 2HB ALA 7 2HB ALA 7 1.432 5.579 8.248 45 3HB ALA 7 3HB ALA 7 2.892 4.948 9.010 46 H SER 8 H SER 8 3.270 7.784 6.705 47 HA SER 8 HA SER 8 1.551 10.152 6.687 48 1HB SER 8 2HB SER 8 3.678 9.160 4.777 49 2HB SER 8 1HB SER 8 2.794 10.677 4.590 50 HG SER 8 HG SER 8 3.667 11.327 6.633 51 H VAL 9 H VAL 9 0.890 7.130 6.280 52 HA VAL 9 HA VAL 9 -0.942 7.532 4.077 53 HB VAL 9 HB VAL 9 0.802 6.751 2.746 54 1HG1 VAL 9 1HG1 VAL 9 2.176 4.763 3.448 55 2HG1 VAL 9 2HG1 VAL 9 1.521 5.000 5.067 56 3HG1 VAL 9 3HG1 VAL 9 2.475 6.270 4.297 57 1HG2 VAL 9 1HG2 VAL 9 -1.169 5.359 2.374 58 2HG2 VAL 9 2HG2 VAL 9 -0.613 4.227 3.606 59 3HG2 VAL 9 3HG2 VAL 9 0.313 4.436 2.119 60 H GLN 10 H GLN 10 -2.573 6.029 3.985 61 HA GLN 10 HA GLN 10 -2.757 3.898 5.951 62 1HB GLN 10 2HB GLN 10 -3.667 5.825 7.183 63 2HB GLN 10 1HB GLN 10 -4.742 6.190 5.841 64 1HG GLN 10 2HG GLN 10 -5.855 4.007 6.199 65 2HG GLN 10 1HG GLN 10 -4.832 3.757 7.613 66 1HE2 GLN 10 1HE2 GLN 10 -6.075 6.891 6.728 67 2HE2 GLN 10 2HE2 GLN 10 -7.193 7.044 8.035 68 H LEU 11 H LEU 11 -3.264 2.227 4.600 69 HA LEU 11 HA LEU 11 -4.477 2.709 2.084 70 1HB LEU 11 2HB LEU 11 -3.016 0.748 2.585 71 2HB LEU 11 1HB LEU 11 -4.334 0.067 3.523 72 HG LEU 11 HG LEU 11 -5.033 0.821 0.738 73 1HD1 LEU 11 1HD1 LEU 11 -4.031 -1.243 -0.162 74 2HD1 LEU 11 2HD1 LEU 11 -3.229 -1.533 1.381 75 3HD1 LEU 11 3HD1 LEU 11 -2.790 -0.128 0.410 76 1HD2 LEU 11 1HD2 LEU 11 -6.396 -0.955 0.807 77 2HD2 LEU 11 2HD2 LEU 11 -6.447 -0.391 2.485 78 3HD2 LEU 11 3HD2 LEU 11 -5.479 -1.808 2.052 79 H ASP 12 H ASP 12 -6.460 2.700 1.433 80 HA ASP 12 HA ASP 12 -8.548 3.074 3.302 81 1HB ASP 12 2HB ASP 12 -8.401 4.163 1.058 82 2HB ASP 12 1HB ASP 12 -8.758 2.624 0.315 83 H SER 13 H SER 13 -7.983 0.618 0.797 84 HA SER 13 HA SER 13 -9.312 -1.489 2.234 85 1HB SER 13 2HB SER 13 -10.977 -0.213 0.041 86 2HB SER 13 1HB SER 13 -11.389 -1.661 0.951 87 HG SER 13 HG SER 13 -11.427 1.034 1.735 88 H TYR 14 H TYR 14 -9.482 -3.400 1.164 89 HA TYR 14 HA TYR 14 -8.729 -3.643 -1.594 90 1HB TYR 14 2HB TYR 14 -6.751 -4.997 -1.201 91 2HB TYR 14 1HB TYR 14 -6.542 -3.427 -0.436 92 HD1 TYR 14 HD1 TYR 14 -7.244 -6.938 0.147 93 HD2 TYR 14 HD2 TYR 14 -6.268 -3.256 1.968 94 HE1 TYR 14 HE1 TYR 14 -6.724 -8.138 2.210 95 HE2 TYR 14 HE2 TYR 14 -5.768 -4.424 4.078 96 HH TYR 14 HH TYR 14 -5.397 -7.797 4.264 97 H ASN 15 H ASN 15 -9.134 -5.773 -2.391 98 HA ASN 15 HA ASN 15 -10.636 -7.497 -0.533 99 1HB ASN 15 2HB ASN 15 -11.359 -6.895 -3.412 100 2HB ASN 15 1HB ASN 15 -12.189 -8.043 -2.369 101 1HD2 ASN 15 1HD2 ASN 15 -11.675 -4.725 -3.137 102 2HD2 ASN 15 2HD2 ASN 15 -12.954 -4.092 -2.162 103 H TYR 16 H TYR 16 -10.901 -9.693 -1.318 104 HA TYR 16 HA TYR 16 -8.982 -10.619 -3.296 105 1HB TYR 16 2HB TYR 16 -7.853 -10.714 -1.022 106 2HB TYR 16 1HB TYR 16 -9.102 -11.856 -0.547 107 HD1 TYR 16 HD1 TYR 16 -6.431 -11.376 -3.105 108 HD2 TYR 16 HD2 TYR 16 -8.788 -14.126 -0.878 109 HE1 TYR 16 HE1 TYR 16 -5.085 -13.233 -3.985 110 HE2 TYR 16 HE2 TYR 16 -7.451 -15.993 -1.756 111 HH TYR 16 HH TYR 16 -6.004 -16.530 -3.577 112 H ASP 17 H ASP 17 -9.504 -12.704 -4.068 113 HA ASP 17 HA ASP 17 -11.691 -14.251 -3.202 114 1HB ASP 17 2HB ASP 17 -12.996 -12.310 -4.027 115 2HB ASP 17 1HB ASP 17 -12.252 -12.504 -5.610 116 H GLY 18 H GLY 18 -11.272 -16.243 -3.946 117 1HA GLY 18 2HA GLY 18 -10.171 -17.913 -5.094 118 2HA GLY 18 1HA GLY 18 -10.400 -16.923 -6.535 119 H SER 19 H SER 19 -8.647 -15.955 -7.420 120 HA SER 19 HA SER 19 -6.590 -15.041 -5.542 121 1HB SER 19 2HB SER 19 -6.060 -16.318 -8.240 122 2HB SER 19 1HB SER 19 -4.833 -15.592 -7.197 123 HG SER 19 HG SER 19 -6.248 -17.354 -5.774 124 H THR 20 H THR 20 -7.671 -13.070 -5.642 125 HA THR 20 HA THR 20 -7.109 -11.471 -8.013 126 HB THR 20 HB THR 20 -9.829 -11.281 -6.722 127 HG1 THR 20 HG1 THR 20 -9.875 -13.326 -7.582 128 1HG2 THR 20 1HG2 THR 20 -9.077 -9.368 -8.050 129 2HG2 THR 20 2HG2 THR 20 -10.416 -10.196 -8.847 130 3HG2 THR 20 3HG2 THR 20 -8.766 -10.434 -9.421 131 H PHE 21 H PHE 21 -6.528 -9.384 -7.483 132 HA PHE 21 HA PHE 21 -7.080 -8.511 -4.717 133 1HB PHE 21 2HB PHE 21 -4.631 -8.826 -5.255 134 2HB PHE 21 1HB PHE 21 -4.797 -7.570 -6.472 135 HD1 PHE 21 HD1 PHE 21 -4.195 -8.287 -3.040 136 HD2 PHE 21 HD2 PHE 21 -5.507 -5.238 -5.691 137 HE1 PHE 21 HE1 PHE 21 -3.729 -6.588 -1.305 138 HE2 PHE 21 HE2 PHE 21 -5.041 -3.538 -3.977 139 HZ PHE 21 HZ PHE 21 -4.149 -4.213 -1.784 140 H SER 22 H SER 22 -8.073 -6.568 -4.483 141 HA SER 22 HA SER 22 -8.085 -4.627 -6.605 142 1HB SER 22 2HB SER 22 -10.600 -4.551 -6.760 143 2HB SER 22 1HB SER 22 -9.855 -5.982 -7.492 144 HG SER 22 HG SER 22 -10.977 -7.159 -6.167 145 H GLY 23 H GLY 23 -8.089 -2.659 -5.700 146 1HA GLY 23 2HA GLY 23 -9.748 -1.865 -3.592 147 2HA GLY 23 1HA GLY 23 -8.217 -2.383 -2.907 148 H LYS 24 H LYS 24 -7.994 -0.252 -2.136 149 HA LYS 24 HA LYS 24 -6.515 1.397 -3.927 150 1HB LYS 24 2HB LYS 24 -7.890 3.401 -3.749 151 2HB LYS 24 1HB LYS 24 -8.736 2.106 -4.586 152 1HG LYS 24 2HG LYS 24 -9.164 2.648 -1.659 153 2HG LYS 24 1HG LYS 24 -10.039 3.537 -2.901 154 1HD LYS 24 2HD LYS 24 -10.842 1.354 -3.801 155 2HD LYS 24 1HD LYS 24 -10.082 0.558 -2.420 156 1HE LYS 24 2HE LYS 24 -11.489 1.812 -0.894 157 2HE LYS 24 1HE LYS 24 -12.205 2.694 -2.241 158 1HZ LYS 24 1HZ LYS 24 -13.090 0.593 -3.081 159 2HZ LYS 24 2HZ LYS 24 -13.657 0.925 -1.520 160 3HZ LYS 24 3HZ LYS 24 -12.436 -0.230 -1.751 161 H ILE 25 H ILE 25 -5.718 3.358 -2.826 162 HA ILE 25 HA ILE 25 -5.205 2.786 0.021 163 HB ILE 25 HB ILE 25 -3.174 3.532 -2.055 164 1HG1 ILE 25 2HG1 ILE 25 -3.671 0.846 -0.815 165 2HG1 ILE 25 1HG1 ILE 25 -3.899 1.288 -2.506 166 1HG2 ILE 25 1HG2 ILE 25 -2.944 2.979 0.860 167 2HG2 ILE 25 2HG2 ILE 25 -2.295 4.324 -0.077 168 3HG2 ILE 25 3HG2 ILE 25 -1.573 2.725 -0.216 169 1HD1 ILE 25 1HD1 ILE 25 -1.369 0.856 -0.993 170 2HD1 ILE 25 2HD1 ILE 25 -1.385 1.894 -2.415 171 3HD1 ILE 25 3HD1 ILE 25 -1.870 0.199 -2.554 172 H TYR 26 H TYR 26 -4.385 4.686 1.201 173 HA TYR 26 HA TYR 26 -5.108 7.255 -0.059 174 1HB TYR 26 2HB TYR 26 -6.847 6.149 1.488 175 2HB TYR 26 1HB TYR 26 -5.721 6.492 2.794 176 HD1 TYR 26 HD1 TYR 26 -4.921 9.037 2.848 177 HD2 TYR 26 HD2 TYR 26 -8.533 7.626 1.102 178 HE1 TYR 26 HE1 TYR 26 -5.923 11.275 3.105 179 HE2 TYR 26 HE2 TYR 26 -9.541 9.852 1.352 180 HH TYR 26 HH TYR 26 -9.312 11.857 2.480 181 H VAL 27 H VAL 27 -3.276 8.573 0.007 182 HA VAL 27 HA VAL 27 -1.666 8.480 2.461 183 HB VAL 27 HB VAL 27 0.258 7.748 1.582 184 1HG1 VAL 27 1HG1 VAL 27 0.047 6.345 -0.498 185 2HG1 VAL 27 2HG1 VAL 27 -1.617 6.909 -0.601 186 3HG1 VAL 27 3HG1 VAL 27 -1.090 5.981 0.802 187 1HG2 VAL 27 1HG2 VAL 27 -0.240 9.102 -1.057 188 2HG2 VAL 27 2HG2 VAL 27 1.280 8.448 -0.461 189 3HG2 VAL 27 3HG2 VAL 27 0.564 9.860 0.315 190 H LYS 28 H LYS 28 -0.467 10.352 2.929 191 HA LYS 28 HA LYS 28 -1.436 12.742 1.560 192 1HB LYS 28 2HB LYS 28 -0.667 13.998 3.479 193 2HB LYS 28 1HB LYS 28 -1.625 12.638 4.032 194 1HG LYS 28 2HG LYS 28 0.089 12.603 5.527 195 2HG LYS 28 1HG LYS 28 0.696 11.483 4.311 196 1HD LYS 28 2HD LYS 28 2.499 12.917 4.901 197 2HD LYS 28 1HD LYS 28 1.954 13.412 3.302 198 1HE LYS 28 2HE LYS 28 0.847 14.777 5.716 199 2HE LYS 28 1HE LYS 28 2.467 15.190 5.162 200 1HZ LYS 28 1HZ LYS 28 0.984 16.702 4.164 201 2HZ LYS 28 2HZ LYS 28 -0.082 15.486 3.670 202 3HZ LYS 28 3HZ LYS 28 1.437 15.628 2.936 203 H ASN 29 H ASN 29 0.027 14.413 0.924 204 HA ASN 29 HA ASN 29 2.306 13.301 -0.440 205 1HB ASN 29 2HB ASN 29 1.265 16.144 -0.343 206 2HB ASN 29 1HB ASN 29 2.521 15.554 -1.436 207 1HD2 ASN 29 1HD2 ASN 29 -0.058 16.754 -2.045 208 2HD2 ASN 29 2HD2 ASN 29 -0.904 15.591 -3.009 209 H ILE 30 H ILE 30 4.325 13.207 0.353 210 HA ILE 30 HA ILE 30 5.228 15.149 2.359 211 HB ILE 30 HB ILE 30 6.933 13.048 1.007 212 1HG1 ILE 30 2HG1 ILE 30 5.089 11.862 2.044 213 2HG1 ILE 30 1HG1 ILE 30 6.559 11.609 2.974 214 1HG2 ILE 30 1HG2 ILE 30 7.228 14.500 3.633 215 2HG2 ILE 30 2HG2 ILE 30 8.146 14.807 2.159 216 3HG2 ILE 30 3HG2 ILE 30 8.329 13.273 3.008 217 1HD1 ILE 30 1HD1 ILE 30 4.550 11.946 4.343 218 2HD1 ILE 30 2HD1 ILE 30 4.414 13.579 3.693 219 3HD1 ILE 30 3HD1 ILE 30 5.819 13.132 4.661 220 H ALA 31 H ALA 31 6.022 13.978 -0.845 221 HA ALA 31 HA ALA 31 6.951 16.635 -1.609 222 1HB ALA 31 1HB ALA 31 8.909 15.228 -1.480 223 2HB ALA 31 2HB ALA 31 8.520 15.493 -3.180 224 3HB ALA 31 3HB ALA 31 8.109 13.962 -2.410 225 H TYR 32 H TYR 32 7.238 15.721 -4.390 226 HA TYR 32 HA TYR 32 4.364 15.481 -4.949 227 1HB TYR 32 2HB TYR 32 5.930 17.530 -5.604 228 2HB TYR 32 1HB TYR 32 6.243 16.513 -7.005 229 HD1 TYR 32 HD1 TYR 32 3.031 16.830 -5.171 230 HD2 TYR 32 HD2 TYR 32 5.197 17.765 -8.707 231 HE1 TYR 32 HE1 TYR 32 0.972 17.690 -6.191 232 HE2 TYR 32 HE2 TYR 32 3.137 18.619 -9.742 233 HH TYR 32 HH TYR 32 0.709 18.363 -9.505 234 H SER 33 H SER 33 7.543 14.627 -6.296 235 HA SER 33 HA SER 33 6.354 12.550 -7.906 236 1HB SER 33 2HB SER 33 9.284 13.123 -7.372 237 2HB SER 33 1HB SER 33 8.619 12.141 -8.691 238 HG SER 33 HG SER 33 7.401 14.386 -8.964 239 H LYS 34 H LYS 34 5.405 11.181 -6.342 240 HA LYS 34 HA LYS 34 7.194 9.988 -4.347 241 1HB LYS 34 2HB LYS 34 4.190 9.942 -4.575 242 2HB LYS 34 1HB LYS 34 5.126 9.313 -3.232 243 1HG LYS 34 2HG LYS 34 5.666 11.438 -2.472 244 2HG LYS 34 1HG LYS 34 5.313 12.168 -4.041 245 1HD LYS 34 2HD LYS 34 3.282 10.967 -2.169 246 2HD LYS 34 1HD LYS 34 3.555 12.693 -2.435 247 1HE LYS 34 2HE LYS 34 2.850 12.535 -4.704 248 2HE LYS 34 1HE LYS 34 2.827 10.776 -4.637 249 1HZ LYS 34 1HZ LYS 34 0.991 12.635 -3.232 250 2HZ LYS 34 2HZ LYS 34 1.025 10.963 -2.989 251 3HZ LYS 34 3HZ LYS 34 0.608 11.582 -4.510 252 H LYS 35 H LYS 35 6.544 7.666 -3.807 253 HA LYS 35 HA LYS 35 5.749 6.148 -6.201 254 1HB LYS 35 2HB LYS 35 7.873 5.303 -4.224 255 2HB LYS 35 1HB LYS 35 7.305 4.371 -5.595 256 1HG LYS 35 2HG LYS 35 8.235 6.082 -7.104 257 2HG LYS 35 1HG LYS 35 8.873 6.934 -5.688 258 1HD LYS 35 2HD LYS 35 10.007 4.763 -5.063 259 2HD LYS 35 1HD LYS 35 9.567 4.173 -6.663 260 1HE LYS 35 2HE LYS 35 10.873 5.906 -7.705 261 2HE LYS 35 1HE LYS 35 11.225 6.631 -6.134 262 1HZ LYS 35 1HZ LYS 35 12.277 4.476 -5.518 263 2HZ LYS 35 2HZ LYS 35 13.088 5.326 -6.740 264 3HZ LYS 35 3HZ LYS 35 12.123 3.987 -7.137 265 H VAL 36 H VAL 36 4.268 4.583 -5.790 266 HA VAL 36 HA VAL 36 4.013 3.718 -3.010 267 HB VAL 36 HB VAL 36 1.700 4.413 -4.820 268 1HG1 VAL 36 1HG1 VAL 36 0.247 3.417 -3.223 269 2HG1 VAL 36 2HG1 VAL 36 1.577 3.122 -2.134 270 3HG1 VAL 36 3HG1 VAL 36 1.452 2.196 -3.622 271 1HG2 VAL 36 1HG2 VAL 36 2.697 6.211 -3.504 272 2HG2 VAL 36 2HG2 VAL 36 2.474 5.270 -2.034 273 3HG2 VAL 36 3HG2 VAL 36 1.072 5.833 -2.948 274 H THR 37 H THR 37 4.653 1.798 -2.948 275 HA THR 37 HA THR 37 4.054 -0.048 -5.163 276 HB THR 37 HB THR 37 6.252 -1.151 -4.521 277 HG1 THR 37 HG1 THR 37 6.275 0.274 -2.505 278 1HG2 THR 37 1HG2 THR 37 5.834 1.408 -5.922 279 2HG2 THR 37 2HG2 THR 37 6.507 -0.110 -6.517 280 3HG2 THR 37 3HG2 THR 37 7.510 0.989 -5.568 281 H VAL 38 H VAL 38 2.884 -1.707 -4.571 282 HA VAL 38 HA VAL 38 2.504 -2.321 -1.763 283 HB VAL 38 HB VAL 38 1.348 -3.622 -4.233 284 1HG1 VAL 38 1HG1 VAL 38 -0.136 -4.843 -2.793 285 2HG1 VAL 38 2HG1 VAL 38 0.518 -4.062 -1.362 286 3HG1 VAL 38 3HG1 VAL 38 1.517 -5.182 -2.290 287 1HG2 VAL 38 1HG2 VAL 38 -0.739 -2.596 -3.236 288 2HG2 VAL 38 2HG2 VAL 38 0.373 -1.525 -4.078 289 3HG2 VAL 38 3HG2 VAL 38 0.342 -1.566 -2.311 290 H VAL 39 H VAL 39 3.310 -3.970 -0.706 291 HA VAL 39 HA VAL 39 4.749 -6.042 -2.207 292 HB VAL 39 HB VAL 39 6.571 -6.048 -0.472 293 1HG1 VAL 39 1HG1 VAL 39 6.888 -5.134 -2.723 294 2HG1 VAL 39 2HG1 VAL 39 7.839 -4.264 -1.522 295 3HG1 VAL 39 3HG1 VAL 39 6.353 -3.554 -2.151 296 1HG2 VAL 39 1HG2 VAL 39 6.980 -3.979 0.774 297 2HG2 VAL 39 2HG2 VAL 39 5.463 -4.741 1.258 298 3HG2 VAL 39 3HG2 VAL 39 5.444 -3.333 0.196 299 H TYR 40 H TYR 40 4.148 -8.007 -1.586 300 HA TYR 40 HA TYR 40 2.743 -8.124 0.991 301 1HB TYR 40 2HB TYR 40 1.253 -9.838 0.050 302 2HB TYR 40 1HB TYR 40 1.127 -8.299 -0.781 303 HD1 TYR 40 HD1 TYR 40 0.969 -8.357 -3.060 304 HD2 TYR 40 HD2 TYR 40 2.979 -11.539 -1.110 305 HE1 TYR 40 HE1 TYR 40 1.189 -9.520 -5.214 306 HE2 TYR 40 HE2 TYR 40 3.226 -12.707 -3.253 307 HH TYR 40 HH TYR 40 2.273 -12.802 -5.408 308 H ALA 41 H ALA 41 2.508 -10.351 1.862 309 HA ALA 41 HA ALA 41 5.019 -11.800 1.594 310 1HB ALA 41 1HB ALA 41 4.525 -12.889 3.579 311 2HB ALA 41 2HB ALA 41 2.789 -12.661 3.399 312 3HB ALA 41 3HB ALA 41 3.816 -11.299 3.849 313 H ASP 42 H ASP 42 4.678 -12.387 -0.403 314 HA ASP 42 HA ASP 42 3.561 -13.601 -2.148 315 1HB ASP 42 2HB ASP 42 5.839 -14.297 -1.733 316 2HB ASP 42 1HB ASP 42 5.293 -15.443 -0.514 317 H GLY 43 H GLY 43 3.729 -16.393 -0.111 318 1HA GLY 43 2HA GLY 43 0.788 -16.590 -0.194 319 2HA GLY 43 1HA GLY 43 1.777 -17.906 -0.818 320 H SER 44 H SER 44 3.817 -17.537 1.218 321 HA SER 44 HA SER 44 2.364 -18.580 3.547 322 1HB SER 44 2HB SER 44 3.963 -20.171 2.597 323 2HB SER 44 1HB SER 44 5.248 -18.969 2.688 324 HG SER 44 HG SER 44 5.226 -19.093 4.892 325 H ASP 45 H ASP 45 5.310 -16.745 2.765 326 HA ASP 45 HA ASP 45 4.857 -14.489 4.276 327 1HB ASP 45 2HB ASP 45 6.195 -14.875 6.315 328 2HB ASP 45 1HB ASP 45 4.775 -15.912 6.262 329 H ASN 46 H ASN 46 6.060 -15.126 1.860 330 HA ASN 46 HA ASN 46 8.948 -15.126 2.259 331 1HB ASN 46 2HB ASN 46 8.139 -16.674 0.596 332 2HB ASN 46 1HB ASN 46 7.267 -15.392 -0.239 333 1HD2 ASN 46 1HD2 ASN 46 8.286 -15.519 -2.172 334 2HD2 ASN 46 2HD2 ASN 46 9.961 -15.161 -2.404 335 H TRP 47 H TRP 47 9.834 -13.172 2.615 336 HA TRP 47 HA TRP 47 9.315 -11.180 0.517 337 1HB TRP 47 2HB TRP 47 10.579 -10.099 2.932 338 2HB TRP 47 1HB TRP 47 9.297 -9.426 1.935 339 HD1 TRP 47 HD1 TRP 47 9.749 -12.081 4.655 340 HE1 TRP 47 HE1 TRP 47 7.608 -12.111 6.119 341 HE3 TRP 47 HE3 TRP 47 6.996 -8.673 2.066 342 HZ2 TRP 47 HZ2 TRP 47 5.075 -10.826 6.125 343 HZ3 TRP 47 HZ3 TRP 47 4.744 -8.135 2.835 344 HH2 TRP 47 HH2 TRP 47 3.796 -9.196 4.797 345 H ASN 48 H ASN 48 10.910 -11.137 -0.799 346 HA ASN 48 HA ASN 48 13.666 -11.739 -0.115 347 1HB ASN 48 2HB ASN 48 12.586 -12.138 -2.404 348 2HB ASN 48 1HB ASN 48 12.614 -10.378 -2.618 349 1HD2 ASN 48 1HD2 ASN 48 14.013 -10.426 -4.344 350 2HD2 ASN 48 2HD2 ASN 48 15.692 -10.856 -4.182 351 H ASN 49 H ASN 49 13.362 -9.980 1.681 352 HA ASN 49 HA ASN 49 13.197 -7.866 2.515 353 1HB ASN 49 2HB ASN 49 15.186 -7.235 1.220 354 2HB ASN 49 1HB ASN 49 14.196 -7.007 -0.224 355 1HD2 ASN 49 1HD2 ASN 49 14.756 -4.865 -0.477 356 2HD2 ASN 49 2HD2 ASN 49 14.185 -3.626 0.598 357 H ASN 50 H ASN 50 12.248 -7.747 -0.910 358 HA ASN 50 HA ASN 50 9.442 -7.530 -0.030 359 1HB ASN 50 2HB ASN 50 10.634 -6.523 -2.616 360 2HB ASN 50 1HB ASN 50 8.915 -6.465 -2.162 361 1HD2 ASN 50 1HD2 ASN 50 9.593 -5.750 0.640 362 2HD2 ASN 50 2HD2 ASN 50 10.050 -4.068 0.589 363 H GLY 51 H GLY 51 11.130 -8.198 -3.091 364 1HA GLY 51 2HA GLY 51 11.312 -10.200 -4.272 365 2HA GLY 51 1HA GLY 51 10.289 -10.983 -3.071 366 H ASN 52 H ASN 52 8.175 -9.163 -3.142 367 HA ASN 52 HA ASN 52 7.084 -9.503 -5.842 368 1HB ASN 52 2HB ASN 52 4.910 -10.191 -4.537 369 2HB ASN 52 1HB ASN 52 6.158 -11.387 -4.865 370 1HD2 ASN 52 1HD2 ASN 52 6.361 -8.845 -2.444 371 2HD2 ASN 52 2HD2 ASN 52 6.354 -9.901 -1.060 372 H ILE 53 H ILE 53 6.923 -7.420 -6.374 373 HA ILE 53 HA ILE 53 5.358 -5.677 -4.594 374 HB ILE 53 HB ILE 53 7.656 -4.940 -4.558 375 1HG1 ILE 53 2HG1 ILE 53 5.640 -3.265 -4.909 376 2HG1 ILE 53 1HG1 ILE 53 7.302 -2.690 -4.855 377 1HG2 ILE 53 1HG2 ILE 53 8.172 -3.983 -7.135 378 2HG2 ILE 53 2HG2 ILE 53 7.594 -5.640 -7.334 379 3HG2 ILE 53 3HG2 ILE 53 8.984 -5.311 -6.297 380 1HD1 ILE 53 1HD1 ILE 53 5.643 -3.173 -7.323 381 2HD1 ILE 53 2HD1 ILE 53 7.339 -2.694 -7.325 382 3HD1 ILE 53 3HD1 ILE 53 6.120 -1.612 -6.651 383 H ILE 54 H ILE 54 3.817 -4.423 -5.494 384 HA ILE 54 HA ILE 54 3.578 -4.414 -8.422 385 HB ILE 54 HB ILE 54 1.935 -6.032 -7.468 386 1HG1 ILE 54 2HG1 ILE 54 0.600 -3.597 -8.652 387 2HG1 ILE 54 1HG1 ILE 54 1.552 -4.747 -9.589 388 1HG2 ILE 54 1HG2 ILE 54 0.706 -3.615 -6.175 389 2HG2 ILE 54 2HG2 ILE 54 1.504 -4.948 -5.341 390 3HG2 ILE 54 3HG2 ILE 54 0.008 -5.232 -6.229 391 1HD1 ILE 54 1HD1 ILE 54 -0.896 -5.470 -7.996 392 2HD1 ILE 54 2HD1 ILE 54 0.001 -6.507 -9.108 393 3HD1 ILE 54 3HD1 ILE 54 -0.891 -5.116 -9.725 394 H ALA 55 H ALA 55 3.306 -2.415 -9.248 395 HA ALA 55 HA ALA 55 3.458 -0.219 -7.387 396 1HB ALA 55 1HB ALA 55 4.835 -0.270 -9.431 397 2HB ALA 55 2HB ALA 55 3.835 1.182 -9.321 398 3HB ALA 55 3HB ALA 55 3.366 -0.135 -10.401 399 H ALA 56 H ALA 56 1.888 1.166 -6.834 400 HA ALA 56 HA ALA 56 -0.830 0.569 -7.478 401 1HB ALA 56 1HB ALA 56 -1.348 2.513 -6.067 402 2HB ALA 56 2HB ALA 56 0.361 2.924 -6.027 403 3HB ALA 56 3HB ALA 56 -0.199 1.427 -5.285 404 H SER 57 H SER 57 -2.347 2.161 -8.361 405 HA SER 57 HA SER 57 -1.088 3.759 -10.477 406 1HB SER 57 2HB SER 57 -3.885 2.618 -10.494 407 2HB SER 57 1HB SER 57 -3.030 3.362 -11.841 408 HG SER 57 HG SER 57 -1.720 1.233 -10.679 409 H PHE 58 H PHE 58 -1.467 5.854 -10.437 410 HA PHE 58 HA PHE 58 -2.739 7.003 -8.213 411 1HB PHE 58 2HB PHE 58 -1.901 8.470 -10.707 412 2HB PHE 58 1HB PHE 58 -2.149 9.131 -9.096 413 HD1 PHE 58 HD1 PHE 58 -0.280 9.669 -7.904 414 HD2 PHE 58 HD2 PHE 58 -0.039 6.507 -10.745 415 HE1 PHE 58 HE1 PHE 58 2.126 9.438 -7.445 416 HE2 PHE 58 HE2 PHE 58 2.365 6.266 -10.281 417 HZ PHE 58 HZ PHE 58 3.452 7.737 -8.630 418 H SER 59 H SER 59 -4.698 7.882 -8.020 419 HA SER 59 HA SER 59 -6.458 7.923 -10.371 420 1HB SER 59 2HB SER 59 -7.097 8.272 -7.427 421 2HB SER 59 1HB SER 59 -8.283 8.335 -8.730 422 HG SER 59 HG SER 59 -8.314 6.249 -8.773 423 H GLY 60 H GLY 60 -5.367 9.902 -7.650 424 1HA GLY 60 2HA GLY 60 -4.355 12.020 -8.898 425 2HA GLY 60 1HA GLY 60 -6.076 12.332 -9.094 426 HA PRO 61 HA PRO 61 -4.550 14.014 -4.928 427 1HB PRO 61 2HB PRO 61 -5.641 16.488 -6.139 428 2HB PRO 61 1HB PRO 61 -4.170 16.255 -5.190 429 1HG PRO 61 2HG PRO 61 -4.071 16.678 -7.831 430 2HG PRO 61 1HG PRO 61 -2.934 15.583 -7.023 431 1HD PRO 61 2HD PRO 61 -5.343 14.941 -8.671 432 2HD PRO 61 1HD PRO 61 -3.776 14.109 -8.589 433 H ILE 62 H ILE 62 -6.019 13.952 -3.358 434 HA ILE 62 HA ILE 62 -8.774 13.525 -4.027 435 HB ILE 62 HB ILE 62 -7.463 13.774 -1.307 436 1HG1 ILE 62 2HG1 ILE 62 -8.187 11.277 -2.849 437 2HG1 ILE 62 1HG1 ILE 62 -6.582 11.994 -2.884 438 1HG2 ILE 62 1HG2 ILE 62 -10.027 12.363 -1.999 439 2HG2 ILE 62 2HG2 ILE 62 -9.990 14.047 -1.468 440 3HG2 ILE 62 3HG2 ILE 62 -9.403 12.771 -0.399 441 1HD1 ILE 62 1HD1 ILE 62 -7.833 11.264 -0.281 442 2HD1 ILE 62 2HD1 ILE 62 -6.128 11.406 -0.719 443 3HD1 ILE 62 3HD1 ILE 62 -7.074 10.038 -1.296 444 H SER 63 H SER 63 -9.977 15.181 -4.587 445 HA SER 63 HA SER 63 -9.406 17.844 -4.358 446 1HB SER 63 2HB SER 63 -12.160 16.602 -4.516 447 2HB SER 63 1HB SER 63 -11.734 18.251 -4.979 448 HG SER 63 HG SER 63 -10.634 17.515 -6.703 449 H GLY 64 H GLY 64 -9.384 19.271 -2.793 450 1HA GLY 64 2HA GLY 64 -10.356 20.474 -1.009 451 2HA GLY 64 1HA GLY 64 -11.309 19.056 -0.597 452 H SER 65 H SER 65 -8.143 18.163 -1.217 453 HA SER 65 HA SER 65 -7.177 18.634 1.479 454 1HB SER 65 2HB SER 65 -7.686 15.840 0.436 455 2HB SER 65 1HB SER 65 -6.851 16.230 1.941 456 HG SER 65 HG SER 65 -9.211 17.507 1.863 457 H ASN 66 H ASN 66 -4.992 17.482 1.760 458 HA ASN 66 HA ASN 66 -3.424 17.943 -0.677 459 1HB ASN 66 2HB ASN 66 -1.494 18.215 0.796 460 2HB ASN 66 1HB ASN 66 -2.800 19.279 1.307 461 1HD2 ASN 66 1HD2 ASN 66 -3.834 18.906 3.251 462 2HD2 ASN 66 2HD2 ASN 66 -3.196 17.821 4.443 463 H TYR 67 H TYR 67 -4.944 15.488 0.138 464 HA TYR 67 HA TYR 67 -2.743 13.560 0.332 465 1HB TYR 67 2HB TYR 67 -5.660 12.859 0.566 466 2HB TYR 67 1HB TYR 67 -4.267 12.020 1.238 467 HD1 TYR 67 HD1 TYR 67 -2.844 13.743 2.884 468 HD2 TYR 67 HD2 TYR 67 -7.021 13.819 2.122 469 HE1 TYR 67 HE1 TYR 67 -3.207 14.898 5.025 470 HE2 TYR 67 HE2 TYR 67 -7.400 14.977 4.253 471 HH TYR 67 HH TYR 67 -6.330 15.301 6.388 472 H GLU 68 H GLU 68 -2.784 11.718 -1.114 473 HA GLU 68 HA GLU 68 -4.226 12.316 -3.609 474 1HB GLU 68 2HB GLU 68 -1.743 12.524 -3.770 475 2HB GLU 68 1HB GLU 68 -1.607 10.822 -3.351 476 1HG GLU 68 2HG GLU 68 -2.512 10.121 -5.375 477 2HG GLU 68 1HG GLU 68 -3.241 11.690 -5.707 478 H TYR 69 H TYR 69 -4.538 10.241 -4.953 479 HA TYR 69 HA TYR 69 -5.790 8.310 -3.142 480 1HB TYR 69 2HB TYR 69 -7.358 10.101 -4.127 481 2HB TYR 69 1HB TYR 69 -7.081 9.317 -5.679 482 HD1 TYR 69 HD1 TYR 69 -7.598 7.962 -2.275 483 HD2 TYR 69 HD2 TYR 69 -9.021 8.162 -6.266 484 HE1 TYR 69 HE1 TYR 69 -9.376 6.364 -1.707 485 HE2 TYR 69 HE2 TYR 69 -10.799 6.549 -5.723 486 HH TYR 69 HH TYR 69 -11.627 5.716 -2.555 487 H TRP 70 H TRP 70 -5.161 6.360 -3.578 488 HA TRP 70 HA TRP 70 -3.963 5.816 -6.211 489 1HB TRP 70 2HB TRP 70 -3.302 4.390 -3.639 490 2HB TRP 70 1HB TRP 70 -2.322 4.542 -5.097 491 HD1 TRP 70 HD1 TRP 70 -3.594 6.815 -2.237 492 HE1 TRP 70 HE1 TRP 70 -1.844 8.645 -1.910 493 HE3 TRP 70 HE3 TRP 70 -0.487 5.679 -5.881 494 HZ2 TRP 70 HZ2 TRP 70 0.563 9.496 -2.992 495 HZ3 TRP 70 HZ3 TRP 70 1.601 6.938 -6.221 496 HH2 TRP 70 HH2 TRP 70 2.084 8.864 -4.801 497 H THR 71 H THR 71 -4.886 4.190 -7.355 498 HA THR 71 HA THR 71 -6.530 2.231 -5.896 499 HB THR 71 HB THR 71 -8.191 2.312 -7.770 500 HG1 THR 71 HG1 THR 71 -7.050 4.839 -8.413 501 1HG2 THR 71 1HG2 THR 71 -7.810 4.791 -6.109 502 2HG2 THR 71 2HG2 THR 71 -8.823 3.395 -5.744 503 3HG2 THR 71 3HG2 THR 71 -9.254 4.480 -7.068 504 H PHE 72 H PHE 72 -6.646 0.183 -6.890 505 HA PHE 72 HA PHE 72 -6.060 -0.161 -9.587 506 1HB PHE 72 2HB PHE 72 -3.965 -1.303 -9.624 507 2HB PHE 72 1HB PHE 72 -3.708 0.203 -8.758 508 HD1 PHE 72 HD1 PHE 72 -4.166 -0.097 -6.101 509 HD2 PHE 72 HD2 PHE 72 -2.920 -3.135 -8.794 510 HE1 PHE 72 HE1 PHE 72 -3.177 -1.349 -4.218 511 HE2 PHE 72 HE2 PHE 72 -1.937 -4.398 -6.927 512 HZ PHE 72 HZ PHE 72 -2.065 -3.506 -4.636 513 H SER 73 H SER 73 -6.478 -2.160 -10.355 514 HA SER 73 HA SER 73 -7.281 -4.193 -8.389 515 1HB SER 73 2HB SER 73 -8.171 -3.907 -11.273 516 2HB SER 73 1HB SER 73 -8.686 -5.165 -10.147 517 HG SER 73 HG SER 73 -9.187 -2.371 -9.963 518 H ALA 74 H ALA 74 -6.418 -6.256 -8.635 519 HA ALA 74 HA ALA 74 -4.103 -6.385 -10.445 520 1HB ALA 74 1HB ALA 74 -3.645 -7.449 -7.747 521 2HB ALA 74 2HB ALA 74 -3.814 -5.700 -7.833 522 3HB ALA 74 3HB ALA 74 -2.577 -6.515 -8.795 523 H SER 75 H SER 75 -3.797 -8.332 -11.367 524 HA SER 75 HA SER 75 -5.354 -10.595 -10.404 525 1HB SER 75 2HB SER 75 -5.028 -10.108 -12.873 526 2HB SER 75 1HB SER 75 -3.331 -10.536 -12.663 527 HG SER 75 HG SER 75 -5.581 -12.208 -12.193 528 H VAL 76 H VAL 76 -4.509 -11.273 -8.505 529 HA VAL 76 HA VAL 76 -1.595 -11.627 -8.347 530 HB VAL 76 HB VAL 76 -1.800 -11.680 -5.933 531 1HG1 VAL 76 1HG1 VAL 76 -2.809 -9.384 -5.551 532 2HG1 VAL 76 2HG1 VAL 76 -3.203 -9.396 -7.266 533 3HG1 VAL 76 3HG1 VAL 76 -1.520 -9.492 -6.754 534 1HG2 VAL 76 1HG2 VAL 76 -3.816 -11.533 -4.738 535 2HG2 VAL 76 2HG2 VAL 76 -4.077 -12.764 -5.966 536 3HG2 VAL 76 3HG2 VAL 76 -4.746 -11.151 -6.186 537 H LYS 77 H LYS 77 -0.728 -13.599 -7.844 538 HA LYS 77 HA LYS 77 -2.609 -15.833 -8.155 539 1HB LYS 77 2HB LYS 77 0.315 -15.594 -8.879 540 2HB LYS 77 1HB LYS 77 -0.550 -17.123 -8.884 541 1HG LYS 77 2HG LYS 77 -0.483 -16.336 -11.122 542 2HG LYS 77 1HG LYS 77 -2.135 -16.123 -10.548 543 1HD LYS 77 2HD LYS 77 -1.694 -13.756 -10.135 544 2HD LYS 77 1HD LYS 77 -0.028 -13.964 -10.678 545 1HE LYS 77 2HE LYS 77 -1.378 -12.988 -12.441 546 2HE LYS 77 1HE LYS 77 -0.849 -14.604 -12.903 547 1HZ LYS 77 1HZ LYS 77 -3.217 -14.089 -13.406 548 2HZ LYS 77 2HZ LYS 77 -3.520 -14.024 -11.740 549 3HZ LYS 77 3HZ LYS 77 -2.997 -15.473 -12.451 550 H GLY 78 H GLY 78 -2.287 -14.643 -5.675 551 1HA GLY 78 2HA GLY 78 -2.383 -16.275 -3.744 552 2HA GLY 78 1HA GLY 78 -0.717 -16.637 -4.180 553 H ILE 79 H ILE 79 -2.217 -15.313 -1.821 554 HA ILE 79 HA ILE 79 -0.033 -13.615 -1.122 555 HB ILE 79 HB ILE 79 -1.267 -11.944 -2.301 556 1HG1 ILE 79 2HG1 ILE 79 -1.825 -11.537 0.635 557 2HG1 ILE 79 1HG1 ILE 79 -0.237 -11.323 -0.096 558 1HG2 ILE 79 1HG2 ILE 79 -3.609 -11.369 -1.282 559 2HG2 ILE 79 2HG2 ILE 79 -3.600 -13.082 -0.861 560 3HG2 ILE 79 3HG2 ILE 79 -3.442 -12.585 -2.546 561 1HD1 ILE 79 1HD1 ILE 79 -2.740 -9.756 -0.662 562 2HD1 ILE 79 2HD1 ILE 79 -1.255 -9.609 -1.593 563 3HD1 ILE 79 3HD1 ILE 79 -1.265 -9.185 0.118 564 H LYS 80 H LYS 80 0.133 -13.316 1.041 565 HA LYS 80 HA LYS 80 -1.782 -14.857 2.672 566 1HB LYS 80 2HB LYS 80 0.600 -15.738 2.323 567 2HB LYS 80 1HB LYS 80 1.134 -14.404 3.331 568 1HG LYS 80 2HG LYS 80 -0.880 -16.443 4.238 569 2HG LYS 80 1HG LYS 80 0.859 -16.628 4.444 570 1HD LYS 80 2HD LYS 80 0.977 -14.695 5.841 571 2HD LYS 80 1HD LYS 80 -0.709 -14.287 5.504 572 1HE LYS 80 2HE LYS 80 -1.498 -16.159 6.714 573 2HE LYS 80 1HE LYS 80 0.110 -16.876 6.798 574 1HZ LYS 80 1HZ LYS 80 -0.667 -15.792 8.883 575 2HZ LYS 80 2HZ LYS 80 -0.587 -14.297 8.083 576 3HZ LYS 80 3HZ LYS 80 0.818 -15.217 8.300 577 H GLU 81 H GLU 81 0.648 -12.289 2.938 578 HA GLU 81 HA GLU 81 -1.251 -10.592 4.356 579 1HB GLU 81 2HB GLU 81 0.131 -10.276 6.315 580 2HB GLU 81 1HB GLU 81 -0.197 -11.989 6.104 581 1HG GLU 81 2HG GLU 81 2.037 -12.224 5.049 582 2HG GLU 81 1HG GLU 81 2.360 -10.548 5.491 583 H PHE 82 H PHE 82 0.061 -8.299 4.869 584 HA PHE 82 HA PHE 82 2.345 -7.878 3.244 585 1HB PHE 82 2HB PHE 82 1.466 -6.664 1.366 586 2HB PHE 82 1HB PHE 82 0.771 -8.274 1.402 587 HD1 PHE 82 HD1 PHE 82 0.145 -4.740 1.513 588 HD2 PHE 82 HD2 PHE 82 -1.610 -8.574 2.021 589 HE1 PHE 82 HE1 PHE 82 -2.091 -3.739 1.261 590 HE2 PHE 82 HE2 PHE 82 -3.851 -7.585 1.776 591 HZ PHE 82 HZ PHE 82 -4.093 -5.166 1.394 592 H TYR 83 H TYR 83 2.525 -5.512 2.561 593 HA TYR 83 HA TYR 83 1.169 -3.557 4.104 594 1HB TYR 83 2HB TYR 83 3.017 -2.695 5.408 595 2HB TYR 83 1HB TYR 83 2.715 -4.362 5.846 596 HD1 TYR 83 HD1 TYR 83 4.350 -5.325 3.221 597 HD2 TYR 83 HD2 TYR 83 5.140 -2.783 6.535 598 HE1 TYR 83 HE1 TYR 83 6.754 -5.797 3.010 599 HE2 TYR 83 HE2 TYR 83 7.539 -3.247 6.327 600 HH TYR 83 HH TYR 83 8.985 -5.078 5.413 601 H ILE 84 H ILE 84 1.859 -1.360 3.467 602 HA ILE 84 HA ILE 84 2.731 -1.555 0.677 603 HB ILE 84 HB ILE 84 1.345 0.809 1.937 604 1HG1 ILE 84 2HG1 ILE 84 -0.149 -1.078 2.214 605 2HG1 ILE 84 1HG1 ILE 84 -0.734 -0.100 0.874 606 1HG2 ILE 84 1HG2 ILE 84 0.702 1.224 -0.441 607 2HG2 ILE 84 2HG2 ILE 84 1.782 -0.097 -0.906 608 3HG2 ILE 84 3HG2 ILE 84 2.432 1.348 -0.124 609 1HD1 ILE 84 1HD1 ILE 84 0.783 -2.686 0.672 610 2HD1 ILE 84 2HD1 ILE 84 0.311 -1.678 -0.695 611 3HD1 ILE 84 3HD1 ILE 84 -0.925 -2.423 0.319 612 H LYS 85 H LYS 85 4.200 -0.113 -0.221 613 HA LYS 85 HA LYS 85 6.127 0.931 1.739 614 1HB LYS 85 2HB LYS 85 6.433 0.069 -1.138 615 2HB LYS 85 1HB LYS 85 7.677 0.970 -0.285 616 1HG LYS 85 2HG LYS 85 6.607 -1.573 0.844 617 2HG LYS 85 1HG LYS 85 7.840 -1.598 -0.418 618 1HD LYS 85 2HD LYS 85 8.327 0.198 1.879 619 2HD LYS 85 1HD LYS 85 8.398 -1.532 2.210 620 1HE LYS 85 2HE LYS 85 10.604 -0.816 1.676 621 2HE LYS 85 1HE LYS 85 10.006 -1.750 0.309 622 1HZ LYS 85 1HZ LYS 85 9.554 0.309 -0.867 623 2HZ LYS 85 2HZ LYS 85 11.176 0.233 -0.405 624 3HZ LYS 85 3HZ LYS 85 10.104 1.217 0.456 625 H TYR 86 H TYR 86 5.650 2.979 2.146 626 HA TYR 86 HA TYR 86 4.870 4.766 -0.012 627 1HB TYR 86 2HB TYR 86 3.830 5.004 2.238 628 2HB TYR 86 1HB TYR 86 5.412 5.382 2.911 629 HD1 TYR 86 HD1 TYR 86 3.807 6.556 -0.232 630 HD2 TYR 86 HD2 TYR 86 5.288 7.618 3.594 631 HE1 TYR 86 HE1 TYR 86 3.460 8.901 -0.773 632 HE2 TYR 86 HE2 TYR 86 4.935 9.993 3.063 633 HH TYR 86 HH TYR 86 3.027 11.107 0.802 634 H GLU 87 H GLU 87 6.516 5.202 -1.353 635 HA GLU 87 HA GLU 87 9.157 5.650 -0.161 636 1HB GLU 87 2HB GLU 87 8.708 3.711 -1.855 637 2HB GLU 87 1HB GLU 87 8.780 4.991 -3.062 638 1HG GLU 87 2HG GLU 87 11.014 5.585 -2.341 639 2HG GLU 87 1HG GLU 87 10.936 4.381 -1.060 640 H VAL 88 H VAL 88 9.837 7.635 -0.144 641 HA VAL 88 HA VAL 88 8.693 9.555 -2.057 642 HB VAL 88 HB VAL 88 9.748 10.107 0.715 643 1HG1 VAL 88 1HG1 VAL 88 9.226 12.303 0.362 644 2HG1 VAL 88 2HG1 VAL 88 7.993 11.922 -0.827 645 3HG1 VAL 88 3HG1 VAL 88 9.692 11.845 -1.270 646 1HG2 VAL 88 1HG2 VAL 88 7.806 8.964 1.164 647 2HG2 VAL 88 2HG2 VAL 88 7.084 9.423 -0.363 648 3HG2 VAL 88 3HG2 VAL 88 7.163 10.598 0.953 649 H SER 89 H SER 89 10.171 9.936 -3.578 650 HA SER 89 HA SER 89 12.120 10.310 -4.625 651 1HB SER 89 2HB SER 89 11.887 12.410 -3.510 652 2HB SER 89 1HB SER 89 12.589 11.754 -2.041 653 HG SER 89 HG SER 89 14.504 11.353 -3.477 654 H GLY 90 H GLY 90 11.884 7.886 -2.909 655 1HA GLY 90 2HA GLY 90 13.474 6.108 -2.868 656 2HA GLY 90 1HA GLY 90 14.747 7.300 -2.676 657 H LYS 91 H LYS 91 12.184 8.143 -0.655 658 HA LYS 91 HA LYS 91 13.589 6.960 1.624 659 1HB LYS 91 2HB LYS 91 12.957 9.501 1.329 660 2HB LYS 91 1HB LYS 91 11.362 8.957 1.848 661 1HG LYS 91 2HG LYS 91 12.565 9.745 3.758 662 2HG LYS 91 1HG LYS 91 12.413 7.989 3.855 663 1HD LYS 91 2HD LYS 91 14.684 7.738 2.979 664 2HD LYS 91 1HD LYS 91 14.836 9.491 2.880 665 1HE LYS 91 2HE LYS 91 15.944 8.613 4.866 666 2HE LYS 91 1HE LYS 91 14.594 9.663 5.292 667 1HZ LYS 91 1HZ LYS 91 14.906 7.408 6.490 668 2HZ LYS 91 2HZ LYS 91 14.167 6.756 5.108 669 3HZ LYS 91 3HZ LYS 91 13.349 7.911 6.047 670 H THR 92 H THR 92 12.282 5.874 3.275 671 HA THR 92 HA THR 92 9.806 4.822 2.107 672 HB THR 92 HB THR 92 11.793 3.175 3.623 673 HG1 THR 92 HG1 THR 92 12.682 3.581 1.617 674 1HG2 THR 92 1HG2 THR 92 9.279 2.409 2.152 675 2HG2 THR 92 2HG2 THR 92 9.571 2.303 3.886 676 3HG2 THR 92 3HG2 THR 92 10.462 1.263 2.777 677 H TYR 93 H TYR 93 8.177 4.520 3.322 678 HA TYR 93 HA TYR 93 8.437 4.309 6.223 679 1HB TYR 93 2HB TYR 93 6.089 5.724 4.951 680 2HB TYR 93 1HB TYR 93 6.488 5.618 6.660 681 HD1 TYR 93 HD1 TYR 93 6.841 7.427 3.661 682 HD2 TYR 93 HD2 TYR 93 8.534 6.905 7.503 683 HE1 TYR 93 HE1 TYR 93 7.962 9.619 3.443 684 HE2 TYR 93 HE2 TYR 93 9.668 9.082 7.319 685 HH TYR 93 HH TYR 93 8.986 11.294 4.713 686 H TYR 94 H TYR 94 5.795 3.695 6.753 687 HA TYR 94 HA TYR 94 5.279 1.384 5.046 688 1HB TYR 94 2HB TYR 94 6.145 1.138 7.925 689 2HB TYR 94 1HB TYR 94 5.354 -0.158 7.038 690 HD1 TYR 94 HD1 TYR 94 6.525 -0.665 4.679 691 HD2 TYR 94 HD2 TYR 94 8.445 1.077 8.047 692 HE1 TYR 94 HE1 TYR 94 8.689 -1.450 3.834 693 HE2 TYR 94 HE2 TYR 94 10.625 0.305 7.207 694 HH TYR 94 HH TYR 94 11.579 -1.298 5.732 695 H ASP 95 H ASP 95 3.227 0.805 4.965 696 HA ASP 95 HA ASP 95 1.462 1.497 7.215 697 1HB ASP 95 2HB ASP 95 0.896 2.977 5.355 698 2HB ASP 95 1HB ASP 95 0.766 1.596 4.268 699 H ASN 96 H ASN 96 0.922 -0.319 8.174 700 HA ASN 96 HA ASN 96 0.113 -2.613 6.544 701 1HB ASN 96 2HB ASN 96 1.376 -4.187 7.941 702 2HB ASN 96 1HB ASN 96 2.447 -3.061 7.124 703 1HD2 ASN 96 1HD2 ASN 96 3.020 -4.656 9.426 704 2HD2 ASN 96 2HD2 ASN 96 3.419 -3.560 10.708 705 H ASN 97 H ASN 97 0.324 -1.142 9.713 706 HA ASN 97 HA ASN 97 -2.210 -1.045 10.558 707 1HB ASN 97 2HB ASN 97 -2.834 -3.055 11.667 708 2HB ASN 97 1HB ASN 97 -2.224 -3.595 10.118 709 1HD2 ASN 97 1HD2 ASN 97 -1.971 -3.781 13.482 710 2HD2 ASN 97 2HD2 ASN 97 -0.572 -4.824 13.556 711 H ASN 98 H ASN 98 0.875 -2.417 11.502 712 HA ASN 98 HA ASN 98 1.907 -0.421 13.009 713 1HB ASN 98 2HB ASN 98 -0.002 -0.675 14.580 714 2HB ASN 98 1HB ASN 98 0.434 -2.363 14.824 715 1HD2 ASN 98 1HD2 ASN 98 1.416 0.957 15.358 716 2HD2 ASN 98 2HD2 ASN 98 2.559 0.614 16.619 717 H SER 99 H SER 99 1.363 -3.875 13.797 718 HA SER 99 HA SER 99 3.809 -4.615 12.492 719 1HB SER 99 2HB SER 99 3.573 -4.919 15.502 720 2HB SER 99 1HB SER 99 4.835 -5.659 14.519 721 HG SER 99 HG SER 99 4.556 -2.955 14.120 722 H ALA 100 H ALA 100 1.345 -5.447 11.771 723 HA ALA 100 HA ALA 100 1.420 -8.281 12.538 724 1HB ALA 100 1HB ALA 100 -1.071 -8.333 12.475 725 2HB ALA 100 2HB ALA 100 -1.053 -6.572 12.437 726 3HB ALA 100 3HB ALA 100 -0.390 -7.432 13.827 727 H ASN 101 H ASN 101 0.499 -5.824 10.191 728 HA ASN 101 HA ASN 101 0.752 -5.911 7.870 729 1HB ASN 101 2HB ASN 101 1.216 -8.855 8.302 730 2HB ASN 101 1HB ASN 101 1.096 -8.119 6.708 731 1HD2 ASN 101 1HD2 ASN 101 3.335 -9.501 7.881 732 2HD2 ASN 101 2HD2 ASN 101 4.650 -8.362 7.901 733 H TYR 102 H TYR 102 -0.672 -6.162 6.185 734 HA TYR 102 HA TYR 102 -3.373 -6.553 6.986 735 1HB TYR 102 2HB TYR 102 -2.099 -6.166 4.273 736 2HB TYR 102 1HB TYR 102 -3.837 -6.291 4.517 737 HD1 TYR 102 HD1 TYR 102 -1.029 -4.089 4.454 738 HD2 TYR 102 HD2 TYR 102 -4.930 -4.578 6.078 739 HE1 TYR 102 HE1 TYR 102 -1.154 -1.667 4.873 740 HE2 TYR 102 HE2 TYR 102 -5.062 -2.164 6.503 741 HH TYR 102 HH TYR 102 -2.620 0.060 5.329 742 H GLN 103 H GLN 103 -3.920 -8.549 7.578 743 HA GLN 103 HA GLN 103 -2.850 -10.892 6.310 744 1HB GLN 103 2HB GLN 103 -4.170 -10.278 8.734 745 2HB GLN 103 1HB GLN 103 -5.202 -11.414 7.885 746 1HG GLN 103 2HG GLN 103 -3.691 -12.570 9.373 747 2HG GLN 103 1HG GLN 103 -3.361 -12.986 7.696 748 1HE2 GLN 103 1HE2 GLN 103 -2.331 -9.966 9.173 749 2HE2 GLN 103 2HE2 GLN 103 -0.644 -10.325 9.159 750 H VAL 104 H VAL 104 -3.622 -11.864 4.554 751 HA VAL 104 HA VAL 104 -6.189 -10.967 3.490 752 HB VAL 104 HB VAL 104 -4.191 -12.787 2.152 753 1HG1 VAL 104 1HG1 VAL 104 -6.455 -12.769 1.214 754 2HG1 VAL 104 2HG1 VAL 104 -5.284 -12.064 0.105 755 3HG1 VAL 104 3HG1 VAL 104 -6.361 -11.019 1.028 756 1HG2 VAL 104 1HG2 VAL 104 -4.366 -9.789 1.877 757 2HG2 VAL 104 2HG2 VAL 104 -3.213 -10.865 1.086 758 3HG2 VAL 104 3HG2 VAL 104 -3.151 -10.636 2.833 759 H SER 105 H SER 105 -7.828 -12.389 2.915 760 HA SER 105 HA SER 105 -7.872 -14.848 4.485 761 1HB SER 105 2HB SER 105 -10.136 -13.541 2.956 762 2HB SER 105 1HB SER 105 -10.268 -14.794 4.190 763 HG SER 105 HG SER 105 -8.971 -12.920 5.386 764 H THR 106 H THR 106 -7.225 -16.650 3.480 765 HA THR 106 HA THR 106 -7.637 -16.811 0.572 766 HB THR 106 HB THR 106 -5.834 -18.710 0.868 767 HG1 THR 106 HG1 THR 106 -5.333 -16.995 3.098 768 1HG2 THR 106 1HG2 THR 106 -5.537 -16.706 -0.485 769 2HG2 THR 106 2HG2 THR 106 -4.074 -17.058 0.432 770 3HG2 THR 106 3HG2 THR 106 -5.155 -15.769 0.960 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -11.626 8.261 9.672 2 2H ALA 1 2H ALA 1 -11.769 8.585 11.330 3 3H ALA 1 3H ALA 1 -12.077 7.025 10.744 4 HA ALA 1 HA ALA 1 -9.924 7.183 11.843 5 1HB ALA 1 1HB ALA 1 -10.142 5.480 10.202 6 2HB ALA 1 2HB ALA 1 -8.581 6.253 9.937 7 3HB ALA 1 3HB ALA 1 -9.945 6.632 8.884 8 H SER 2 H SER 2 -7.741 7.920 11.709 9 HA SER 2 HA SER 2 -7.606 10.680 10.737 10 1HB SER 2 2HB SER 2 -5.691 10.855 12.359 11 2HB SER 2 1HB SER 2 -7.238 10.471 13.113 12 HG SER 2 HG SER 2 -5.039 8.755 12.603 13 H ILE 3 H ILE 3 -6.279 11.206 9.112 14 HA ILE 3 HA ILE 3 -4.432 9.211 8.083 15 HB ILE 3 HB ILE 3 -5.046 11.961 6.976 16 1HG1 ILE 3 2HG1 ILE 3 -6.202 10.531 5.168 17 2HG1 ILE 3 1HG1 ILE 3 -6.188 9.238 6.358 18 1HG2 ILE 3 1HG2 ILE 3 -3.976 11.111 4.927 19 2HG2 ILE 3 2HG2 ILE 3 -3.547 9.631 5.787 20 3HG2 ILE 3 3HG2 ILE 3 -2.865 11.177 6.293 21 1HD1 ILE 3 1HD1 ILE 3 -7.530 10.593 7.857 22 2HD1 ILE 3 2HD1 ILE 3 -8.321 10.414 6.290 23 3HD1 ILE 3 3HD1 ILE 3 -7.503 11.923 6.700 24 HA PRO 4 HA PRO 4 -1.321 12.673 9.398 25 1HB PRO 4 2HB PRO 4 -2.944 14.664 10.819 26 2HB PRO 4 1HB PRO 4 -1.733 14.905 9.556 27 1HG PRO 4 2HG PRO 4 -4.359 15.288 9.105 28 2HG PRO 4 1HG PRO 4 -3.269 14.659 7.854 29 1HD PRO 4 2HD PRO 4 -5.192 13.178 9.617 30 2HD PRO 4 1HD PRO 4 -4.873 12.973 7.881 31 H SER 5 H SER 5 -0.284 12.838 11.429 32 HA SER 5 HA SER 5 0.230 12.264 13.540 33 1HB SER 5 2HB SER 5 -1.602 13.719 14.200 34 2HB SER 5 1HB SER 5 -2.749 12.405 13.974 35 HG SER 5 HG SER 5 -1.336 11.277 15.598 36 H SER 6 H SER 6 -1.154 10.278 11.416 37 HA SER 6 HA SER 6 -0.834 7.980 13.219 38 1HB SER 6 2HB SER 6 -2.347 8.188 10.604 39 2HB SER 6 1HB SER 6 -2.088 6.681 11.485 40 HG SER 6 HG SER 6 -3.627 7.211 12.819 41 H ALA 7 H ALA 7 -0.445 8.643 9.728 42 HA ALA 7 HA ALA 7 2.384 8.107 9.916 43 1HB ALA 7 1HB ALA 7 2.162 6.478 7.983 44 2HB ALA 7 2HB ALA 7 0.465 6.353 8.415 45 3HB ALA 7 3HB ALA 7 1.710 5.881 9.573 46 H SER 8 H SER 8 3.008 7.978 7.262 47 HA SER 8 HA SER 8 2.180 10.554 6.233 48 1HB SER 8 2HB SER 8 3.902 8.506 4.822 49 2HB SER 8 1HB SER 8 3.873 10.254 4.584 50 HG SER 8 HG SER 8 4.583 10.361 6.867 51 H VAL 9 H VAL 9 1.219 7.330 6.048 52 HA VAL 9 HA VAL 9 -0.678 7.895 3.945 53 HB VAL 9 HB VAL 9 1.036 7.088 2.555 54 1HG1 VAL 9 1HG1 VAL 9 2.168 4.869 3.150 55 2HG1 VAL 9 2HG1 VAL 9 1.619 5.205 4.794 56 3HG1 VAL 9 3HG1 VAL 9 2.693 6.336 3.969 57 1HG2 VAL 9 1HG2 VAL 9 -1.072 5.931 2.133 58 2HG2 VAL 9 2HG2 VAL 9 -0.606 4.663 3.267 59 3HG2 VAL 9 3HG2 VAL 9 0.311 4.893 1.777 60 H GLN 10 H GLN 10 -2.391 6.411 3.876 61 HA GLN 10 HA GLN 10 -2.520 4.344 5.925 62 1HB GLN 10 2HB GLN 10 -3.505 6.260 7.047 63 2HB GLN 10 1HB GLN 10 -4.522 6.600 5.654 64 1HG GLN 10 2HG GLN 10 -5.710 4.495 6.007 65 2HG GLN 10 1HG GLN 10 -4.685 4.153 7.399 66 1HE2 GLN 10 1HE2 GLN 10 -5.820 7.360 6.672 67 2HE2 GLN 10 2HE2 GLN 10 -6.915 7.484 7.999 68 H LEU 11 H LEU 11 -3.363 2.550 5.072 69 HA LEU 11 HA LEU 11 -4.280 2.493 2.383 70 1HB LEU 11 2HB LEU 11 -3.132 0.618 3.497 71 2HB LEU 11 1HB LEU 11 -4.522 0.403 4.544 72 HG LEU 11 HG LEU 11 -5.900 -0.079 2.483 73 1HD1 LEU 11 1HD1 LEU 11 -4.697 -0.697 0.460 74 2HD1 LEU 11 2HD1 LEU 11 -3.180 -0.164 1.179 75 3HD1 LEU 11 3HD1 LEU 11 -4.458 1.006 0.850 76 1HD2 LEU 11 1HD2 LEU 11 -4.912 -2.354 2.191 77 2HD2 LEU 11 2HD2 LEU 11 -5.157 -1.886 3.873 78 3HD2 LEU 11 3HD2 LEU 11 -3.539 -1.834 3.169 79 H ASP 12 H ASP 12 -6.292 2.416 1.555 80 HA ASP 12 HA ASP 12 -8.461 3.294 3.254 81 1HB ASP 12 2HB ASP 12 -8.092 4.230 0.976 82 2HB ASP 12 1HB ASP 12 -8.479 2.665 0.295 83 H SER 13 H SER 13 -8.051 0.711 0.874 84 HA SER 13 HA SER 13 -9.105 -1.384 2.412 85 1HB SER 13 2HB SER 13 -11.363 -1.606 1.330 86 2HB SER 13 1HB SER 13 -11.220 -0.229 2.424 87 HG SER 13 HG SER 13 -11.077 1.145 0.695 88 H TYR 14 H TYR 14 -9.693 -3.271 1.162 89 HA TYR 14 HA TYR 14 -9.063 -3.408 -1.643 90 1HB TYR 14 2HB TYR 14 -7.236 -5.064 -1.318 91 2HB TYR 14 1HB TYR 14 -6.807 -3.458 -0.731 92 HD1 TYR 14 HD1 TYR 14 -7.712 -6.862 0.250 93 HD2 TYR 14 HD2 TYR 14 -6.439 -3.059 1.605 94 HE1 TYR 14 HE1 TYR 14 -7.165 -7.840 2.416 95 HE2 TYR 14 HE2 TYR 14 -5.888 -4.006 3.797 96 HH TYR 14 HH TYR 14 -6.510 -5.944 5.175 97 H ASN 15 H ASN 15 -9.387 -5.697 -2.410 98 HA ASN 15 HA ASN 15 -10.952 -7.341 -0.565 99 1HB ASN 15 2HB ASN 15 -12.026 -6.064 -3.066 100 2HB ASN 15 1HB ASN 15 -12.676 -7.600 -2.508 101 1HD2 ASN 15 1HD2 ASN 15 -13.847 -4.886 -2.725 102 2HD2 ASN 15 2HD2 ASN 15 -14.477 -4.544 -1.148 103 H TYR 16 H TYR 16 -11.598 -9.434 -1.595 104 HA TYR 16 HA TYR 16 -9.581 -10.355 -3.533 105 1HB TYR 16 2HB TYR 16 -9.242 -10.951 -0.983 106 2HB TYR 16 1HB TYR 16 -10.514 -12.119 -1.311 107 HD1 TYR 16 HD1 TYR 16 -7.286 -11.011 -2.825 108 HD2 TYR 16 HD2 TYR 16 -9.862 -14.261 -1.874 109 HE1 TYR 16 HE1 TYR 16 -5.603 -12.585 -3.667 110 HE2 TYR 16 HE2 TYR 16 -8.180 -15.844 -2.723 111 HH TYR 16 HH TYR 16 -6.277 -15.957 -4.120 112 H ASP 17 H ASP 17 -10.309 -11.905 -4.957 113 HA ASP 17 HA ASP 17 -13.004 -12.950 -4.783 114 1HB ASP 17 2HB ASP 17 -12.175 -10.925 -6.861 115 2HB ASP 17 1HB ASP 17 -13.456 -12.087 -7.179 116 H GLY 18 H GLY 18 -12.330 -15.042 -4.965 117 1HA GLY 18 2HA GLY 18 -11.414 -16.947 -5.908 118 2HA GLY 18 1HA GLY 18 -11.359 -16.071 -7.440 119 H SER 19 H SER 19 -9.408 -15.369 -8.174 120 HA SER 19 HA SER 19 -7.410 -14.762 -6.103 121 1HB SER 19 2HB SER 19 -6.820 -15.770 -8.900 122 2HB SER 19 1HB SER 19 -5.632 -15.419 -7.641 123 HG SER 19 HG SER 19 -6.723 -17.095 -6.385 124 H THR 20 H THR 20 -8.378 -12.698 -6.129 125 HA THR 20 HA THR 20 -7.152 -10.968 -8.111 126 HB THR 20 HB THR 20 -10.102 -10.794 -7.430 127 HG1 THR 20 HG1 THR 20 -8.916 -12.203 -9.272 128 1HG2 THR 20 1HG2 THR 20 -8.272 -8.953 -8.961 129 2HG2 THR 20 2HG2 THR 20 -9.324 -8.565 -7.600 130 3HG2 THR 20 3HG2 THR 20 -10.024 -8.939 -9.174 131 H PHE 21 H PHE 21 -6.336 -9.145 -7.149 132 HA PHE 21 HA PHE 21 -7.345 -8.488 -4.466 133 1HB PHE 21 2HB PHE 21 -5.029 -9.809 -4.664 134 2HB PHE 21 1HB PHE 21 -4.423 -8.185 -4.970 135 HD1 PHE 21 HD1 PHE 21 -3.681 -7.001 -3.159 136 HD2 PHE 21 HD2 PHE 21 -6.707 -9.923 -2.606 137 HE1 PHE 21 HE1 PHE 21 -3.652 -6.567 -0.742 138 HE2 PHE 21 HE2 PHE 21 -6.673 -9.509 -0.184 139 HZ PHE 21 HZ PHE 21 -5.141 -7.826 0.747 140 H SER 22 H SER 22 -8.177 -6.595 -4.670 141 HA SER 22 HA SER 22 -6.747 -4.518 -6.166 142 1HB SER 22 2HB SER 22 -9.722 -5.067 -6.418 143 2HB SER 22 1HB SER 22 -8.812 -3.792 -7.250 144 HG SER 22 HG SER 22 -8.076 -6.501 -7.522 145 H GLY 23 H GLY 23 -7.182 -2.390 -5.454 146 1HA GLY 23 2HA GLY 23 -8.997 -1.698 -3.433 147 2HA GLY 23 1HA GLY 23 -7.473 -2.149 -2.676 148 H LYS 24 H LYS 24 -7.639 0.166 -1.986 149 HA LYS 24 HA LYS 24 -6.045 1.738 -3.804 150 1HB LYS 24 2HB LYS 24 -7.487 3.687 -3.788 151 2HB LYS 24 1HB LYS 24 -8.275 2.307 -4.543 152 1HG LYS 24 2HG LYS 24 -8.776 3.015 -1.663 153 2HG LYS 24 1HG LYS 24 -9.635 3.832 -2.970 154 1HD LYS 24 2HD LYS 24 -10.296 1.517 -3.778 155 2HD LYS 24 1HD LYS 24 -9.695 0.918 -2.230 156 1HE LYS 24 2HE LYS 24 -11.237 2.501 -1.090 157 2HE LYS 24 1HE LYS 24 -11.902 2.923 -2.668 158 1HZ LYS 24 1HZ LYS 24 -11.964 0.253 -1.379 159 2HZ LYS 24 2HZ LYS 24 -12.504 0.563 -2.955 160 3HZ LYS 24 3HZ LYS 24 -13.286 1.281 -1.634 161 H ILE 25 H ILE 25 -5.343 3.812 -2.805 162 HA ILE 25 HA ILE 25 -4.826 3.376 0.063 163 HB ILE 25 HB ILE 25 -2.774 4.262 -1.969 164 1HG1 ILE 25 2HG1 ILE 25 -3.244 1.500 -0.828 165 2HG1 ILE 25 1HG1 ILE 25 -3.479 1.983 -2.504 166 1HG2 ILE 25 1HG2 ILE 25 -1.184 4.031 -0.298 167 2HG2 ILE 25 2HG2 ILE 25 -2.240 3.063 0.718 168 3HG2 ILE 25 3HG2 ILE 25 -2.542 4.793 0.533 169 1HD1 ILE 25 1HD1 ILE 25 -0.920 1.652 -0.989 170 2HD1 ILE 25 2HD1 ILE 25 -1.002 2.584 -2.479 171 3HD1 ILE 25 3HD1 ILE 25 -1.432 0.875 -2.488 172 H TYR 26 H TYR 26 -4.246 5.258 1.250 173 HA TYR 26 HA TYR 26 -4.909 7.846 -0.025 174 1HB TYR 26 2HB TYR 26 -6.684 6.898 1.524 175 2HB TYR 26 1HB TYR 26 -5.510 7.003 2.824 176 HD1 TYR 26 HD1 TYR 26 -4.323 9.562 2.651 177 HD2 TYR 26 HD2 TYR 26 -8.339 8.457 1.801 178 HE1 TYR 26 HE1 TYR 26 -5.059 11.828 3.201 179 HE2 TYR 26 HE2 TYR 26 -9.087 10.737 2.341 180 HH TYR 26 HH TYR 26 -6.975 13.336 2.659 181 H VAL 27 H VAL 27 -2.990 9.049 -0.063 182 HA VAL 27 HA VAL 27 -1.287 8.854 2.327 183 HB VAL 27 HB VAL 27 0.568 8.156 1.297 184 1HG1 VAL 27 1HG1 VAL 27 0.235 6.809 -0.760 185 2HG1 VAL 27 2HG1 VAL 27 -1.409 7.438 -0.851 186 3HG1 VAL 27 3HG1 VAL 27 -0.913 6.459 0.529 187 1HG2 VAL 27 1HG2 VAL 27 1.089 10.161 0.160 188 2HG2 VAL 27 2HG2 VAL 27 -0.169 9.892 -1.039 189 3HG2 VAL 27 3HG2 VAL 27 1.256 8.857 -1.018 190 H LYS 28 H LYS 28 0.113 10.622 2.732 191 HA LYS 28 HA LYS 28 -0.835 13.135 1.597 192 1HB LYS 28 2HB LYS 28 0.248 14.242 3.414 193 2HB LYS 28 1HB LYS 28 -0.613 12.864 4.080 194 1HG LYS 28 2HG LYS 28 1.381 11.660 4.427 195 2HG LYS 28 1HG LYS 28 2.318 12.786 3.442 196 1HD LYS 28 2HD LYS 28 2.724 13.168 5.815 197 2HD LYS 28 1HD LYS 28 1.917 14.558 5.087 198 1HE LYS 28 2HE LYS 28 -0.247 13.626 5.936 199 2HE LYS 28 1HE LYS 28 0.687 12.415 6.814 200 1HZ LYS 28 1HZ LYS 28 0.305 14.110 8.345 201 2HZ LYS 28 2HZ LYS 28 0.618 15.342 7.225 202 3HZ LYS 28 3HZ LYS 28 1.892 14.396 7.823 203 H ASN 29 H ASN 29 0.624 14.705 0.802 204 HA ASN 29 HA ASN 29 2.841 13.472 -0.643 205 1HB ASN 29 2HB ASN 29 2.802 15.634 -1.962 206 2HB ASN 29 1HB ASN 29 1.356 14.631 -2.093 207 1HD2 ASN 29 1HD2 ASN 29 1.789 17.512 -2.522 208 2HD2 ASN 29 2HD2 ASN 29 0.636 18.315 -1.507 209 H ILE 30 H ILE 30 4.612 13.435 0.673 210 HA ILE 30 HA ILE 30 5.486 15.804 2.083 211 HB ILE 30 HB ILE 30 6.880 13.173 1.534 212 1HG1 ILE 30 2HG1 ILE 30 6.704 13.144 4.131 213 2HG1 ILE 30 1HG1 ILE 30 5.457 14.361 3.890 214 1HG2 ILE 30 1HG2 ILE 30 8.522 14.996 1.666 215 2HG2 ILE 30 2HG2 ILE 30 8.649 13.882 3.025 216 3HG2 ILE 30 3HG2 ILE 30 7.871 15.449 3.242 217 1HD1 ILE 30 1HD1 ILE 30 4.391 12.670 2.298 218 2HD1 ILE 30 2HD1 ILE 30 4.292 12.374 4.031 219 3HD1 ILE 30 3HD1 ILE 30 5.468 11.495 3.053 220 H ALA 31 H ALA 31 6.395 13.983 -0.771 221 HA ALA 31 HA ALA 31 7.508 16.399 -1.955 222 1HB ALA 31 1HB ALA 31 9.401 15.006 -1.293 223 2HB ALA 31 2HB ALA 31 9.237 15.029 -3.047 224 3HB ALA 31 3HB ALA 31 8.696 13.624 -2.135 225 H TYR 32 H TYR 32 7.506 16.176 -4.366 226 HA TYR 32 HA TYR 32 4.788 15.403 -4.987 227 1HB TYR 32 2HB TYR 32 5.882 17.616 -5.479 228 2HB TYR 32 1HB TYR 32 6.767 16.807 -6.766 229 HD1 TYR 32 HD1 TYR 32 3.208 16.719 -5.639 230 HD2 TYR 32 HD2 TYR 32 5.929 17.405 -8.830 231 HE1 TYR 32 HE1 TYR 32 1.317 17.162 -7.145 232 HE2 TYR 32 HE2 TYR 32 4.046 17.838 -10.351 233 HH TYR 32 HH TYR 32 0.924 18.432 -9.256 234 H SER 33 H SER 33 8.030 14.414 -5.887 235 HA SER 33 HA SER 33 6.985 12.588 -7.890 236 1HB SER 33 2HB SER 33 9.541 11.970 -7.943 237 2HB SER 33 1HB SER 33 8.986 13.497 -8.653 238 HG SER 33 HG SER 33 10.575 14.166 -7.371 239 H LYS 34 H LYS 34 5.902 10.959 -6.897 240 HA LYS 34 HA LYS 34 7.185 9.631 -4.613 241 1HB LYS 34 2HB LYS 34 4.278 9.474 -5.358 242 2HB LYS 34 1HB LYS 34 5.025 9.139 -3.807 243 1HG LYS 34 2HG LYS 34 5.358 11.428 -3.371 244 2HG LYS 34 1HG LYS 34 4.981 11.855 -5.042 245 1HD LYS 34 2HD LYS 34 2.688 10.789 -4.564 246 2HD LYS 34 1HD LYS 34 3.135 10.970 -2.865 247 1HE LYS 34 2HE LYS 34 3.316 13.319 -3.070 248 2HE LYS 34 1HE LYS 34 3.231 13.242 -4.830 249 1HZ LYS 34 1HZ LYS 34 0.951 12.343 -4.572 250 2HZ LYS 34 2HZ LYS 34 1.127 13.943 -4.027 251 3HZ LYS 34 3HZ LYS 34 1.050 12.669 -2.911 252 H LYS 35 H LYS 35 6.500 7.301 -4.414 253 HA LYS 35 HA LYS 35 5.667 5.967 -6.835 254 1HB LYS 35 2HB LYS 35 7.622 4.409 -6.886 255 2HB LYS 35 1HB LYS 35 8.016 6.055 -7.360 256 1HG LYS 35 2HG LYS 35 9.172 6.476 -5.384 257 2HG LYS 35 1HG LYS 35 8.414 5.113 -4.558 258 1HD LYS 35 2HD LYS 35 10.339 4.846 -6.867 259 2HD LYS 35 1HD LYS 35 10.805 4.736 -5.168 260 1HE LYS 35 2HE LYS 35 9.054 2.897 -4.973 261 2HE LYS 35 1HE LYS 35 9.011 2.896 -6.735 262 1HZ LYS 35 1HZ LYS 35 11.371 2.376 -6.760 263 2HZ LYS 35 2HZ LYS 35 10.526 1.216 -5.863 264 3HZ LYS 35 3HZ LYS 35 11.424 2.416 -5.063 265 H VAL 36 H VAL 36 4.074 4.866 -5.956 266 HA VAL 36 HA VAL 36 4.476 3.725 -3.298 267 HB VAL 36 HB VAL 36 1.940 4.314 -4.821 268 1HG1 VAL 36 1HG1 VAL 36 0.689 3.343 -3.081 269 2HG1 VAL 36 2HG1 VAL 36 2.111 3.146 -2.081 270 3HG1 VAL 36 3HG1 VAL 36 1.898 2.134 -3.505 271 1HG2 VAL 36 1HG2 VAL 36 2.995 6.190 -3.732 272 2HG2 VAL 36 2HG2 VAL 36 3.073 5.305 -2.214 273 3HG2 VAL 36 3HG2 VAL 36 1.510 5.763 -2.894 274 H THR 37 H THR 37 4.513 1.647 -2.950 275 HA THR 37 HA THR 37 4.048 -0.160 -5.201 276 HB THR 37 HB THR 37 6.298 -1.253 -4.403 277 HG1 THR 37 HG1 THR 37 6.497 1.446 -3.560 278 1HG2 THR 37 1HG2 THR 37 5.953 1.086 -6.248 279 2HG2 THR 37 2HG2 THR 37 6.060 -0.627 -6.652 280 3HG2 THR 37 3HG2 THR 37 7.494 0.241 -6.098 281 H VAL 38 H VAL 38 3.281 -2.083 -4.626 282 HA VAL 38 HA VAL 38 2.671 -2.479 -1.791 283 HB VAL 38 HB VAL 38 1.735 -4.036 -4.206 284 1HG1 VAL 38 1HG1 VAL 38 0.533 -5.424 -2.780 285 2HG1 VAL 38 2HG1 VAL 38 0.726 -4.348 -1.406 286 3HG1 VAL 38 3HG1 VAL 38 2.105 -5.278 -1.998 287 1HG2 VAL 38 1HG2 VAL 38 -0.487 -3.334 -3.299 288 2HG2 VAL 38 2HG2 VAL 38 0.434 -2.109 -4.193 289 3HG2 VAL 38 3HG2 VAL 38 0.372 -2.061 -2.423 290 H VAL 39 H VAL 39 3.578 -3.965 -0.614 291 HA VAL 39 HA VAL 39 5.118 -6.044 -2.002 292 HB VAL 39 HB VAL 39 5.676 -5.746 0.862 293 1HG1 VAL 39 1HG1 VAL 39 7.509 -5.682 -1.522 294 2HG1 VAL 39 2HG1 VAL 39 6.904 -7.158 -0.775 295 3HG1 VAL 39 3HG1 VAL 39 7.935 -6.062 0.148 296 1HG2 VAL 39 1HG2 VAL 39 7.085 -3.737 0.612 297 2HG2 VAL 39 2HG2 VAL 39 5.369 -3.384 0.407 298 3HG2 VAL 39 3HG2 VAL 39 6.424 -3.494 -1.005 299 H TYR 40 H TYR 40 3.009 -7.133 -2.257 300 HA TYR 40 HA TYR 40 1.993 -8.062 0.319 301 1HB TYR 40 2HB TYR 40 -0.182 -8.623 -0.723 302 2HB TYR 40 1HB TYR 40 0.190 -6.920 -0.698 303 HD1 TYR 40 HD1 TYR 40 1.143 -9.433 -3.208 304 HD2 TYR 40 HD2 TYR 40 -1.188 -6.056 -2.378 305 HE1 TYR 40 HE1 TYR 40 0.518 -9.373 -5.557 306 HE2 TYR 40 HE2 TYR 40 -1.850 -5.923 -4.743 307 HH TYR 40 HH TYR 40 -1.265 -8.455 -6.941 308 H ALA 41 H ALA 41 2.196 -9.958 0.957 309 HA ALA 41 HA ALA 41 4.008 -11.633 -0.496 310 1HB ALA 41 1HB ALA 41 4.557 -12.520 1.520 311 2HB ALA 41 2HB ALA 41 2.896 -12.586 2.017 312 3HB ALA 41 3HB ALA 41 3.743 -11.067 2.118 313 H ASP 42 H ASP 42 3.806 -13.770 -0.936 314 HA ASP 42 HA ASP 42 1.230 -14.305 -2.128 315 1HB ASP 42 2HB ASP 42 2.508 -16.303 -3.072 316 2HB ASP 42 1HB ASP 42 3.094 -14.710 -3.535 317 H GLY 43 H GLY 43 0.400 -16.615 -1.989 318 1HA GLY 43 2HA GLY 43 -0.304 -16.968 0.760 319 2HA GLY 43 1HA GLY 43 -0.900 -17.907 -0.597 320 H SER 44 H SER 44 2.432 -17.493 0.449 321 HA SER 44 HA SER 44 2.515 -20.342 1.185 322 1HB SER 44 2HB SER 44 4.695 -18.636 -0.019 323 2HB SER 44 1HB SER 44 4.859 -20.336 0.434 324 HG SER 44 HG SER 44 3.963 -20.871 -1.389 325 H ASP 45 H ASP 45 3.025 -17.095 2.096 326 HA ASP 45 HA ASP 45 3.554 -16.110 4.077 327 1HB ASP 45 2HB ASP 45 3.462 -18.967 5.058 328 2HB ASP 45 1HB ASP 45 3.827 -17.613 6.118 329 H ASN 46 H ASN 46 5.652 -16.223 2.362 330 HA ASN 46 HA ASN 46 7.849 -16.989 4.121 331 1HB ASN 46 2HB ASN 46 7.264 -19.009 2.699 332 2HB ASN 46 1HB ASN 46 7.819 -18.080 1.312 333 1HD2 ASN 46 1HD2 ASN 46 8.736 -19.727 4.220 334 2HD2 ASN 46 2HD2 ASN 46 10.440 -19.756 3.901 335 H TRP 47 H TRP 47 8.435 -14.917 4.281 336 HA TRP 47 HA TRP 47 9.207 -13.550 1.792 337 1HB TRP 47 2HB TRP 47 7.354 -12.806 3.872 338 2HB TRP 47 1HB TRP 47 8.470 -11.532 3.332 339 HD1 TRP 47 HD1 TRP 47 7.253 -14.383 1.065 340 HE1 TRP 47 HE1 TRP 47 6.028 -13.336 -0.935 341 HE3 TRP 47 HE3 TRP 47 7.231 -9.612 2.685 342 HZ2 TRP 47 HZ2 TRP 47 5.154 -10.761 -1.660 343 HZ3 TRP 47 HZ3 TRP 47 6.229 -7.956 1.312 344 HH2 TRP 47 HH2 TRP 47 5.171 -8.474 -0.808 345 H ASN 48 H ASN 48 11.365 -14.034 2.002 346 HA ASN 48 HA ASN 48 12.771 -12.692 4.200 347 1HB ASN 48 2HB ASN 48 13.428 -15.038 3.588 348 2HB ASN 48 1HB ASN 48 13.930 -14.430 2.011 349 1HD2 ASN 48 1HD2 ASN 48 15.627 -12.893 1.927 350 2HD2 ASN 48 2HD2 ASN 48 16.818 -12.818 3.191 351 H ASN 49 H ASN 49 11.957 -10.648 3.186 352 HA ASN 49 HA ASN 49 12.201 -8.774 1.925 353 1HB ASN 49 2HB ASN 49 14.353 -8.920 3.261 354 2HB ASN 49 1HB ASN 49 15.121 -9.535 1.795 355 1HD2 ASN 49 1HD2 ASN 49 15.864 -8.107 0.344 356 2HD2 ASN 49 2HD2 ASN 49 15.581 -6.398 0.401 357 H ASN 50 H ASN 50 11.825 -11.382 0.490 358 HA ASN 50 HA ASN 50 12.991 -11.096 -2.091 359 1HB ASN 50 2HB ASN 50 11.121 -12.630 -2.810 360 2HB ASN 50 1HB ASN 50 12.092 -13.258 -1.468 361 1HD2 ASN 50 1HD2 ASN 50 9.454 -14.015 -2.285 362 2HD2 ASN 50 2HD2 ASN 50 8.403 -13.702 -0.925 363 H GLY 51 H GLY 51 10.048 -10.093 -0.521 364 1HA GLY 51 2HA GLY 51 8.769 -8.268 -0.812 365 2HA GLY 51 1HA GLY 51 10.138 -7.562 -1.648 366 H ASN 52 H ASN 52 7.476 -9.869 -2.236 367 HA ASN 52 HA ASN 52 7.413 -9.491 -5.036 368 1HB ASN 52 2HB ASN 52 5.345 -10.483 -3.074 369 2HB ASN 52 1HB ASN 52 5.001 -10.338 -4.795 370 1HD2 ASN 52 1HD2 ASN 52 6.857 -12.032 -2.371 371 2HD2 ASN 52 2HD2 ASN 52 7.313 -13.363 -3.388 372 H ILE 53 H ILE 53 7.063 -7.607 -6.001 373 HA ILE 53 HA ILE 53 5.544 -5.585 -4.522 374 HB ILE 53 HB ILE 53 8.002 -5.218 -5.029 375 1HG1 ILE 53 2HG1 ILE 53 7.524 -2.797 -5.865 376 2HG1 ILE 53 1HG1 ILE 53 5.840 -3.278 -5.723 377 1HG2 ILE 53 1HG2 ILE 53 8.096 -4.056 -7.433 378 2HG2 ILE 53 2HG2 ILE 53 6.935 -5.348 -7.765 379 3HG2 ILE 53 3HG2 ILE 53 8.541 -5.743 -7.149 380 1HD1 ILE 53 1HD1 ILE 53 7.785 -3.562 -3.472 381 2HD1 ILE 53 2HD1 ILE 53 6.032 -3.658 -3.409 382 3HD1 ILE 53 3HD1 ILE 53 6.822 -2.114 -3.728 383 H ILE 54 H ILE 54 4.112 -4.277 -5.534 384 HA ILE 54 HA ILE 54 3.800 -4.447 -8.438 385 HB ILE 54 HB ILE 54 2.023 -5.871 -7.213 386 1HG1 ILE 54 2HG1 ILE 54 1.011 -3.677 -9.017 387 2HG1 ILE 54 1HG1 ILE 54 1.999 -5.020 -9.590 388 1HG2 ILE 54 1HG2 ILE 54 0.015 -4.494 -6.546 389 2HG2 ILE 54 2HG2 ILE 54 1.086 -3.095 -6.522 390 3HG2 ILE 54 3HG2 ILE 54 1.380 -4.448 -5.429 391 1HD1 ILE 54 1HD1 ILE 54 0.118 -6.408 -8.331 392 2HD1 ILE 54 2HD1 ILE 54 -0.015 -5.892 -10.011 393 3HD1 ILE 54 3HD1 ILE 54 -0.823 -4.969 -8.745 394 H ALA 55 H ALA 55 3.325 -2.401 -9.338 395 HA ALA 55 HA ALA 55 3.713 -0.226 -7.450 396 1HB ALA 55 1HB ALA 55 5.020 -0.286 -9.543 397 2HB ALA 55 2HB ALA 55 4.087 1.201 -9.347 398 3HB ALA 55 3HB ALA 55 3.525 -0.058 -10.455 399 H ALA 56 H ALA 56 2.189 1.125 -6.786 400 HA ALA 56 HA ALA 56 -0.558 0.632 -7.446 401 1HB ALA 56 1HB ALA 56 -1.071 2.177 -5.718 402 2HB ALA 56 2HB ALA 56 0.526 2.909 -5.806 403 3HB ALA 56 3HB ALA 56 0.340 1.274 -5.174 404 H SER 57 H SER 57 -2.045 2.260 -8.255 405 HA SER 57 HA SER 57 -0.736 3.909 -10.289 406 1HB SER 57 2HB SER 57 -3.591 2.931 -10.260 407 2HB SER 57 1HB SER 57 -2.744 3.690 -11.606 408 HG SER 57 HG SER 57 -1.656 1.372 -10.481 409 H PHE 58 H PHE 58 -0.967 6.003 -10.241 410 HA PHE 58 HA PHE 58 -2.160 7.312 -8.055 411 1HB PHE 58 2HB PHE 58 -1.207 8.546 -10.639 412 2HB PHE 58 1HB PHE 58 -1.548 9.389 -9.135 413 HD1 PHE 58 HD1 PHE 58 0.298 10.116 -8.012 414 HD2 PHE 58 HD2 PHE 58 0.556 6.484 -10.213 415 HE1 PHE 58 HE1 PHE 58 2.667 9.903 -7.379 416 HE2 PHE 58 HE2 PHE 58 2.919 6.261 -9.577 417 HZ PHE 58 HZ PHE 58 3.980 7.974 -8.162 418 H SER 59 H SER 59 -4.039 8.453 -7.925 419 HA SER 59 HA SER 59 -5.719 8.543 -10.344 420 1HB SER 59 2HB SER 59 -6.610 8.599 -7.446 421 2HB SER 59 1HB SER 59 -7.668 8.620 -8.861 422 HG SER 59 HG SER 59 -5.809 6.562 -8.719 423 H GLY 60 H GLY 60 -4.639 10.285 -7.460 424 1HA GLY 60 2HA GLY 60 -3.629 12.496 -8.270 425 2HA GLY 60 1HA GLY 60 -5.255 12.803 -8.866 426 HA PRO 61 HA PRO 61 -4.780 14.487 -4.458 427 1HB PRO 61 2HB PRO 61 -6.084 16.736 -5.911 428 2HB PRO 61 1HB PRO 61 -4.834 16.779 -4.661 429 1HG PRO 61 2HG PRO 61 -4.213 17.238 -7.206 430 2HG PRO 61 1HG PRO 61 -3.131 16.296 -6.163 431 1HD PRO 61 2HD PRO 61 -5.016 15.357 -8.283 432 2HD PRO 61 1HD PRO 61 -3.399 14.753 -7.866 433 H ILE 62 H ILE 62 -6.455 14.325 -3.074 434 HA ILE 62 HA ILE 62 -8.886 13.196 -4.156 435 HB ILE 62 HB ILE 62 -8.315 13.744 -1.244 436 1HG1 ILE 62 2HG1 ILE 62 -7.474 11.379 -2.931 437 2HG1 ILE 62 1HG1 ILE 62 -6.408 12.518 -2.122 438 1HG2 ILE 62 1HG2 ILE 62 -10.024 11.705 -2.660 439 2HG2 ILE 62 2HG2 ILE 62 -10.596 13.111 -1.762 440 3HG2 ILE 62 3HG2 ILE 62 -9.787 11.797 -0.915 441 1HD1 ILE 62 1HD1 ILE 62 -7.431 11.737 0.037 442 2HD1 ILE 62 2HD1 ILE 62 -6.404 10.598 -0.820 443 3HD1 ILE 62 3HD1 ILE 62 -8.156 10.427 -0.896 444 H SER 63 H SER 63 -10.727 14.267 -4.493 445 HA SER 63 HA SER 63 -10.978 17.041 -4.075 446 1HB SER 63 2HB SER 63 -13.197 15.035 -4.544 447 2HB SER 63 1HB SER 63 -13.262 16.771 -4.846 448 HG SER 63 HG SER 63 -12.811 15.890 -6.790 449 H GLY 64 H GLY 64 -11.315 18.063 -2.226 450 1HA GLY 64 2HA GLY 64 -12.730 18.452 -0.297 451 2HA GLY 64 1HA GLY 64 -12.888 16.708 -0.133 452 H SER 65 H SER 65 -9.900 16.658 -0.854 453 HA SER 65 HA SER 65 -8.875 17.433 1.790 454 1HB SER 65 2HB SER 65 -8.173 14.901 0.277 455 2HB SER 65 1HB SER 65 -7.578 15.368 1.871 456 HG SER 65 HG SER 65 -10.124 15.473 2.157 457 H ASN 66 H ASN 66 -6.364 17.354 1.732 458 HA ASN 66 HA ASN 66 -5.490 18.626 -0.778 459 1HB ASN 66 2HB ASN 66 -3.755 19.722 0.528 460 2HB ASN 66 1HB ASN 66 -5.326 20.022 1.259 461 1HD2 ASN 66 1HD2 ASN 66 -2.613 20.090 2.384 462 2HD2 ASN 66 2HD2 ASN 66 -2.645 19.019 3.741 463 H TYR 67 H TYR 67 -5.484 15.713 0.540 464 HA TYR 67 HA TYR 67 -2.732 15.059 -0.125 465 1HB TYR 67 2HB TYR 67 -4.833 13.496 1.300 466 2HB TYR 67 1HB TYR 67 -3.235 12.876 0.880 467 HD1 TYR 67 HD1 TYR 67 -4.549 13.312 3.549 468 HD2 TYR 67 HD2 TYR 67 -1.775 15.582 1.377 469 HE1 TYR 67 HE1 TYR 67 -3.679 14.222 5.690 470 HE2 TYR 67 HE2 TYR 67 -0.870 16.531 3.462 471 HH TYR 67 HH TYR 67 -1.623 16.910 5.790 472 H GLU 68 H GLU 68 -2.819 12.525 -0.929 473 HA GLU 68 HA GLU 68 -4.165 12.860 -3.534 474 1HB GLU 68 2HB GLU 68 -1.631 13.120 -3.392 475 2HB GLU 68 1HB GLU 68 -1.573 11.388 -3.112 476 1HG GLU 68 2HG GLU 68 -2.416 10.925 -5.261 477 2HG GLU 68 1HG GLU 68 -2.912 12.603 -5.493 478 H TYR 69 H TYR 69 -4.008 10.530 -4.754 479 HA TYR 69 HA TYR 69 -5.445 8.702 -3.010 480 1HB TYR 69 2HB TYR 69 -7.031 10.506 -3.902 481 2HB TYR 69 1HB TYR 69 -6.747 9.817 -5.500 482 HD1 TYR 69 HD1 TYR 69 -6.957 7.849 -2.403 483 HD2 TYR 69 HD2 TYR 69 -8.992 9.094 -5.918 484 HE1 TYR 69 HE1 TYR 69 -8.731 6.207 -1.944 485 HE2 TYR 69 HE2 TYR 69 -10.770 7.450 -5.483 486 HH TYR 69 HH TYR 69 -11.105 5.370 -4.263 487 H TRP 70 H TRP 70 -5.080 6.702 -3.594 488 HA TRP 70 HA TRP 70 -3.784 6.245 -6.197 489 1HB TRP 70 2HB TRP 70 -3.056 4.894 -3.590 490 2HB TRP 70 1HB TRP 70 -2.136 4.941 -5.090 491 HD1 TRP 70 HD1 TRP 70 -3.362 7.548 -2.497 492 HE1 TRP 70 HE1 TRP 70 -1.506 9.281 -2.268 493 HE3 TRP 70 HE3 TRP 70 -0.158 5.791 -5.786 494 HZ2 TRP 70 HZ2 TRP 70 1.026 9.827 -3.269 495 HZ3 TRP 70 HZ3 TRP 70 2.043 6.848 -6.134 496 HH2 TRP 70 HH2 TRP 70 2.597 8.887 -4.890 497 H THR 71 H THR 71 -4.467 4.400 -7.247 498 HA THR 71 HA THR 71 -6.225 2.560 -5.774 499 HB THR 71 HB THR 71 -7.708 2.485 -7.841 500 HG1 THR 71 HG1 THR 71 -7.078 5.084 -8.503 501 1HG2 THR 71 1HG2 THR 71 -7.584 4.964 -6.136 502 2HG2 THR 71 2HG2 THR 71 -8.575 3.527 -5.887 503 3HG2 THR 71 3HG2 THR 71 -8.917 4.614 -7.236 504 H PHE 72 H PHE 72 -6.280 0.405 -6.666 505 HA PHE 72 HA PHE 72 -5.028 -0.006 -9.195 506 1HB PHE 72 2HB PHE 72 -3.225 -1.422 -8.569 507 2HB PHE 72 1HB PHE 72 -3.083 0.026 -7.584 508 HD1 PHE 72 HD1 PHE 72 -3.872 -0.061 -5.218 509 HD2 PHE 72 HD2 PHE 72 -3.417 -3.547 -7.584 510 HE1 PHE 72 HE1 PHE 72 -3.814 -1.427 -3.169 511 HE2 PHE 72 HE2 PHE 72 -3.361 -4.931 -5.550 512 HZ PHE 72 HZ PHE 72 -3.561 -3.870 -3.337 513 H SER 73 H SER 73 -5.067 -2.207 -9.912 514 HA SER 73 HA SER 73 -6.744 -4.051 -8.418 515 1HB SER 73 2HB SER 73 -7.931 -4.648 -10.566 516 2HB SER 73 1HB SER 73 -8.372 -3.079 -9.887 517 HG SER 73 HG SER 73 -7.815 -2.294 -11.748 518 H ALA 74 H ALA 74 -6.140 -6.185 -8.755 519 HA ALA 74 HA ALA 74 -4.016 -6.704 -10.675 520 1HB ALA 74 1HB ALA 74 -3.368 -7.520 -7.922 521 2HB ALA 74 2HB ALA 74 -3.293 -5.797 -8.275 522 3HB ALA 74 3HB ALA 74 -2.317 -6.931 -9.216 523 H SER 75 H SER 75 -4.152 -8.671 -11.491 524 HA SER 75 HA SER 75 -5.677 -10.749 -10.184 525 1HB SER 75 2HB SER 75 -5.603 -10.560 -12.667 526 2HB SER 75 1HB SER 75 -3.871 -10.882 -12.624 527 HG SER 75 HG SER 75 -4.355 -12.916 -12.619 528 H VAL 76 H VAL 76 -4.746 -11.426 -8.323 529 HA VAL 76 HA VAL 76 -1.848 -11.701 -8.225 530 HB VAL 76 HB VAL 76 -2.072 -12.029 -5.823 531 1HG1 VAL 76 1HG1 VAL 76 -3.071 -9.831 -5.232 532 2HG1 VAL 76 2HG1 VAL 76 -3.655 -9.706 -6.884 533 3HG1 VAL 76 3HG1 VAL 76 -1.923 -9.754 -6.571 534 1HG2 VAL 76 1HG2 VAL 76 -4.165 -11.954 -4.675 535 2HG2 VAL 76 2HG2 VAL 76 -4.238 -13.233 -5.890 536 3HG2 VAL 76 3HG2 VAL 76 -5.041 -11.695 -6.186 537 H LYS 77 H LYS 77 -0.830 -13.587 -7.511 538 HA LYS 77 HA LYS 77 -2.233 -15.993 -8.415 539 1HB LYS 77 2HB LYS 77 0.656 -15.194 -8.254 540 2HB LYS 77 1HB LYS 77 0.224 -16.896 -8.307 541 1HG LYS 77 2HG LYS 77 0.773 -16.103 -10.518 542 2HG LYS 77 1HG LYS 77 -0.934 -16.528 -10.436 543 1HD LYS 77 2HD LYS 77 -0.652 -14.474 -11.683 544 2HD LYS 77 1HD LYS 77 -1.492 -14.143 -10.169 545 1HE LYS 77 2HE LYS 77 0.568 -13.320 -9.180 546 2HE LYS 77 1HE LYS 77 1.456 -13.721 -10.650 547 1HZ LYS 77 1HZ LYS 77 -0.794 -11.785 -10.542 548 2HZ LYS 77 2HZ LYS 77 0.229 -12.089 -11.859 549 3HZ LYS 77 3HZ LYS 77 0.842 -11.344 -10.463 550 H GLY 78 H GLY 78 -2.855 -14.950 -5.911 551 1HA GLY 78 2HA GLY 78 -3.391 -16.198 -3.950 552 2HA GLY 78 1HA GLY 78 -1.915 -17.127 -4.180 553 H ILE 79 H ILE 79 -3.316 -14.780 -2.338 554 HA ILE 79 HA ILE 79 -0.681 -13.743 -1.543 555 HB ILE 79 HB ILE 79 -1.906 -12.002 -2.738 556 1HG1 ILE 79 2HG1 ILE 79 -1.557 -11.556 0.215 557 2HG1 ILE 79 1HG1 ILE 79 -0.412 -11.208 -1.065 558 1HG2 ILE 79 1HG2 ILE 79 -3.958 -11.069 -1.922 559 2HG2 ILE 79 2HG2 ILE 79 -3.973 -12.185 -0.567 560 3HG2 ILE 79 3HG2 ILE 79 -4.182 -12.792 -2.210 561 1HD1 ILE 79 1HD1 ILE 79 -3.056 -9.840 -0.754 562 2HD1 ILE 79 2HD1 ILE 79 -1.769 -9.425 -1.868 563 3HD1 ILE 79 3HD1 ILE 79 -1.532 -9.220 -0.136 564 H LYS 80 H LYS 80 -0.485 -13.161 0.675 565 HA LYS 80 HA LYS 80 -2.424 -14.523 2.416 566 1HB LYS 80 2HB LYS 80 -0.571 -16.048 1.969 567 2HB LYS 80 1HB LYS 80 0.576 -14.836 2.519 568 1HG LYS 80 2HG LYS 80 0.196 -16.528 4.210 569 2HG LYS 80 1HG LYS 80 -0.356 -14.949 4.756 570 1HD LYS 80 2HD LYS 80 -1.981 -16.614 5.386 571 2HD LYS 80 1HD LYS 80 -2.666 -15.591 4.123 572 1HE LYS 80 2HE LYS 80 -2.105 -17.302 2.452 573 2HE LYS 80 1HE LYS 80 -1.454 -18.325 3.732 574 1HZ LYS 80 1HZ LYS 80 -3.668 -18.351 4.749 575 2HZ LYS 80 2HZ LYS 80 -3.681 -18.998 3.182 576 3HZ LYS 80 3HZ LYS 80 -4.278 -17.437 3.458 577 H GLU 81 H GLU 81 0.264 -12.187 2.258 578 HA GLU 81 HA GLU 81 -0.958 -10.610 4.354 579 1HB GLU 81 2HB GLU 81 0.847 -10.731 5.919 580 2HB GLU 81 1HB GLU 81 0.370 -12.377 5.529 581 1HG GLU 81 2HG GLU 81 2.258 -12.631 4.068 582 2HG GLU 81 1HG GLU 81 2.719 -10.948 4.327 583 H PHE 82 H PHE 82 0.588 -8.558 4.777 584 HA PHE 82 HA PHE 82 2.563 -8.057 2.793 585 1HB PHE 82 2HB PHE 82 1.375 -6.420 1.415 586 2HB PHE 82 1HB PHE 82 0.641 -8.011 1.288 587 HD1 PHE 82 HD1 PHE 82 0.196 -4.570 2.398 588 HD2 PHE 82 HD2 PHE 82 -1.566 -8.439 2.225 589 HE1 PHE 82 HE1 PHE 82 -1.999 -3.589 2.916 590 HE2 PHE 82 HE2 PHE 82 -3.763 -7.465 2.744 591 HZ PHE 82 HZ PHE 82 -3.982 -5.037 3.090 592 H TYR 83 H TYR 83 3.040 -5.718 2.527 593 HA TYR 83 HA TYR 83 1.774 -3.852 4.278 594 1HB TYR 83 2HB TYR 83 3.732 -3.011 5.400 595 2HB TYR 83 1HB TYR 83 3.563 -4.712 5.759 596 HD1 TYR 83 HD1 TYR 83 4.940 -5.226 2.756 597 HD2 TYR 83 HD2 TYR 83 5.963 -3.252 6.389 598 HE1 TYR 83 HE1 TYR 83 7.327 -5.531 2.261 599 HE2 TYR 83 HE2 TYR 83 8.346 -3.560 5.892 600 HH TYR 83 HH TYR 83 9.753 -5.093 4.558 601 H ILE 84 H ILE 84 1.800 -1.787 3.344 602 HA ILE 84 HA ILE 84 2.765 -1.849 0.582 603 HB ILE 84 HB ILE 84 1.121 0.349 1.841 604 1HG1 ILE 84 2HG1 ILE 84 -0.176 -1.669 2.112 605 2HG1 ILE 84 1HG1 ILE 84 -0.844 -0.766 0.755 606 1HG2 ILE 84 1HG2 ILE 84 0.455 0.776 -0.490 607 2HG2 ILE 84 2HG2 ILE 84 1.589 -0.469 -1.013 608 3HG2 ILE 84 3HG2 ILE 84 2.183 0.987 -0.213 609 1HD1 ILE 84 1HD1 ILE 84 0.904 -3.201 0.631 610 2HD1 ILE 84 2HD1 ILE 84 0.436 -2.238 -0.770 611 3HD1 ILE 84 3HD1 ILE 84 -0.796 -3.068 0.182 612 H LYS 85 H LYS 85 4.372 -0.521 -0.206 613 HA LYS 85 HA LYS 85 5.838 0.946 1.791 614 1HB LYS 85 2HB LYS 85 6.440 0.045 -0.992 615 2HB LYS 85 1HB LYS 85 7.429 1.252 -0.181 616 1HG LYS 85 2HG LYS 85 7.603 -0.444 1.711 617 2HG LYS 85 1HG LYS 85 7.022 -1.602 0.515 618 1HD LYS 85 2HD LYS 85 9.306 0.247 0.101 619 2HD LYS 85 1HD LYS 85 9.522 -1.410 0.665 620 1HE LYS 85 2HE LYS 85 8.661 -2.269 -1.400 621 2HE LYS 85 1HE LYS 85 8.155 -0.660 -1.921 622 1HZ LYS 85 1HZ LYS 85 10.219 -1.400 -2.987 623 2HZ LYS 85 2HZ LYS 85 10.974 -1.492 -1.473 624 3HZ LYS 85 3HZ LYS 85 10.445 0.013 -2.070 625 H TYR 86 H TYR 86 5.756 2.936 1.986 626 HA TYR 86 HA TYR 86 4.755 4.615 -0.198 627 1HB TYR 86 2HB TYR 86 3.772 5.085 2.012 628 2HB TYR 86 1HB TYR 86 5.382 5.372 2.669 629 HD1 TYR 86 HD1 TYR 86 3.819 6.466 -0.522 630 HD2 TYR 86 HD2 TYR 86 5.514 7.634 3.185 631 HE1 TYR 86 HE1 TYR 86 3.677 8.801 -1.211 632 HE2 TYR 86 HE2 TYR 86 5.374 9.993 2.512 633 HH TYR 86 HH TYR 86 3.514 11.140 0.190 634 H GLU 87 H GLU 87 6.370 4.842 -1.592 635 HA GLU 87 HA GLU 87 8.987 5.594 -0.504 636 1HB GLU 87 2HB GLU 87 8.427 3.348 -1.988 637 2HB GLU 87 1HB GLU 87 8.926 4.484 -3.230 638 1HG GLU 87 2HG GLU 87 11.028 4.818 -2.142 639 2HG GLU 87 1HG GLU 87 10.533 3.823 -0.776 640 H VAL 88 H VAL 88 9.818 7.443 -1.277 641 HA VAL 88 HA VAL 88 8.669 8.666 -3.635 642 HB VAL 88 HB VAL 88 7.198 9.620 -2.126 643 1HG1 VAL 88 1HG1 VAL 88 8.105 8.605 -0.115 644 2HG1 VAL 88 2HG1 VAL 88 7.719 10.299 0.151 645 3HG1 VAL 88 3HG1 VAL 88 9.399 9.804 -0.074 646 1HG2 VAL 88 1HG2 VAL 88 9.530 11.500 -1.937 647 2HG2 VAL 88 2HG2 VAL 88 7.836 11.875 -1.670 648 3HG2 VAL 88 3HG2 VAL 88 8.382 11.411 -3.274 649 H SER 89 H SER 89 10.006 10.654 -4.209 650 HA SER 89 HA SER 89 12.732 9.830 -4.254 651 1HB SER 89 2HB SER 89 11.494 10.897 -6.139 652 2HB SER 89 1HB SER 89 11.589 12.429 -5.276 653 HG SER 89 HG SER 89 13.874 10.861 -5.885 654 H GLY 90 H GLY 90 11.677 10.486 -1.691 655 1HA GLY 90 2HA GLY 90 13.846 12.219 -0.814 656 2HA GLY 90 1HA GLY 90 12.216 12.648 -0.321 657 H LYS 91 H LYS 91 11.029 10.328 0.316 658 HA LYS 91 HA LYS 91 12.767 9.133 2.362 659 1HB LYS 91 2HB LYS 91 9.996 10.238 2.698 660 2HB LYS 91 1HB LYS 91 10.751 9.164 3.869 661 1HG LYS 91 2HG LYS 91 11.678 11.902 3.060 662 2HG LYS 91 1HG LYS 91 10.973 11.392 4.590 663 1HD LYS 91 2HD LYS 91 12.872 10.107 5.163 664 2HD LYS 91 1HD LYS 91 13.536 10.252 3.533 665 1HE LYS 91 2HE LYS 91 14.686 11.714 5.128 666 2HE LYS 91 1HE LYS 91 13.880 12.627 3.854 667 1HZ LYS 91 1HZ LYS 91 12.910 12.239 6.637 668 2HZ LYS 91 2HZ LYS 91 12.034 13.023 5.419 669 3HZ LYS 91 3HZ LYS 91 13.502 13.678 5.960 670 H THR 92 H THR 92 11.310 7.459 3.593 671 HA THR 92 HA THR 92 9.561 5.921 1.860 672 HB THR 92 HB THR 92 11.916 4.471 3.042 673 HG1 THR 92 HG1 THR 92 11.673 5.863 0.633 674 1HG2 THR 92 1HG2 THR 92 9.966 3.070 2.614 675 2HG2 THR 92 2HG2 THR 92 11.236 2.707 1.441 676 3HG2 THR 92 3HG2 THR 92 9.861 3.702 0.968 677 H TYR 93 H TYR 93 8.131 4.706 2.978 678 HA TYR 93 HA TYR 93 8.555 4.137 5.805 679 1HB TYR 93 2HB TYR 93 5.942 5.387 4.937 680 2HB TYR 93 1HB TYR 93 6.496 5.068 6.576 681 HD1 TYR 93 HD1 TYR 93 6.625 7.285 3.759 682 HD2 TYR 93 HD2 TYR 93 8.149 6.575 7.645 683 HE1 TYR 93 HE1 TYR 93 7.468 9.601 3.829 684 HE2 TYR 93 HE2 TYR 93 8.996 8.888 7.751 685 HH TYR 93 HH TYR 93 8.003 11.291 5.787 686 H TYR 94 H TYR 94 6.033 3.130 6.347 687 HA TYR 94 HA TYR 94 5.503 1.104 4.330 688 1HB TYR 94 2HB TYR 94 6.547 0.359 7.072 689 2HB TYR 94 1HB TYR 94 5.922 -0.772 5.885 690 HD1 TYR 94 HD1 TYR 94 7.192 -0.807 3.589 691 HD2 TYR 94 HD2 TYR 94 8.823 0.751 7.190 692 HE1 TYR 94 HE1 TYR 94 9.447 -1.178 2.708 693 HE2 TYR 94 HE2 TYR 94 11.094 0.414 6.313 694 HH TYR 94 HH TYR 94 12.204 -1.095 4.605 695 H ASP 95 H ASP 95 3.361 0.812 4.290 696 HA ASP 95 HA ASP 95 1.679 1.226 6.604 697 1HB ASP 95 2HB ASP 95 1.184 0.198 3.822 698 2HB ASP 95 1HB ASP 95 -0.045 0.036 5.064 699 H ASN 96 H ASN 96 2.814 -0.218 8.019 700 HA ASN 96 HA ASN 96 2.251 -3.056 7.473 701 1HB ASN 96 2HB ASN 96 4.657 -2.564 7.441 702 2HB ASN 96 1HB ASN 96 4.546 -1.840 9.040 703 1HD2 ASN 96 1HD2 ASN 96 6.142 -4.083 8.035 704 2HD2 ASN 96 2HD2 ASN 96 5.743 -5.446 9.030 705 H ASN 97 H ASN 97 3.138 -1.034 10.213 706 HA ASN 97 HA ASN 97 1.199 -0.825 11.948 707 1HB ASN 97 2HB ASN 97 1.500 -3.695 11.491 708 2HB ASN 97 1HB ASN 97 1.791 -3.286 13.178 709 1HD2 ASN 97 1HD2 ASN 97 -0.510 -3.410 10.608 710 2HD2 ASN 97 2HD2 ASN 97 -1.930 -3.160 11.590 711 H ASN 98 H ASN 98 4.000 -2.904 11.822 712 HA ASN 98 HA ASN 98 5.926 -1.142 12.703 713 1HB ASN 98 2HB ASN 98 4.677 -1.300 14.912 714 2HB ASN 98 1HB ASN 98 5.102 -3.009 14.947 715 1HD2 ASN 98 1HD2 ASN 98 6.393 -2.926 16.738 716 2HD2 ASN 98 2HD2 ASN 98 7.908 -2.082 16.784 717 H SER 99 H SER 99 4.922 -4.449 13.436 718 HA SER 99 HA SER 99 6.651 -5.511 11.395 719 1HB SER 99 2HB SER 99 7.747 -7.109 13.028 720 2HB SER 99 1HB SER 99 8.261 -5.430 13.188 721 HG SER 99 HG SER 99 7.233 -6.994 15.050 722 H ALA 100 H ALA 100 3.953 -5.469 11.425 723 HA ALA 100 HA ALA 100 3.039 -8.012 12.591 724 1HB ALA 100 1HB ALA 100 0.788 -7.037 12.503 725 2HB ALA 100 2HB ALA 100 1.466 -5.562 11.813 726 3HB ALA 100 3HB ALA 100 1.900 -6.051 13.450 727 H ASN 101 H ASN 101 2.554 -5.942 9.716 728 HA ASN 101 HA ASN 101 2.070 -6.440 7.532 729 1HB ASN 101 2HB ASN 101 2.742 -9.265 8.379 730 2HB ASN 101 1HB ASN 101 2.322 -8.813 6.731 731 1HD2 ASN 101 1HD2 ASN 101 4.387 -9.628 6.130 732 2HD2 ASN 101 2HD2 ASN 101 5.805 -8.657 6.345 733 H TYR 102 H TYR 102 0.126 -6.445 6.625 734 HA TYR 102 HA TYR 102 -2.135 -7.247 8.197 735 1HB TYR 102 2HB TYR 102 -1.980 -6.250 5.346 736 2HB TYR 102 1HB TYR 102 -3.467 -6.467 6.257 737 HD1 TYR 102 HD1 TYR 102 -0.738 -4.265 5.508 738 HD2 TYR 102 HD2 TYR 102 -3.829 -5.037 8.328 739 HE1 TYR 102 HE1 TYR 102 -0.555 -1.956 6.331 740 HE2 TYR 102 HE2 TYR 102 -3.652 -2.730 9.163 741 HH TYR 102 HH TYR 102 -2.102 -0.897 9.215 742 H GLN 103 H GLN 103 -2.898 -9.257 8.299 743 HA GLN 103 HA GLN 103 -2.191 -11.230 6.317 744 1HB GLN 103 2HB GLN 103 -3.735 -11.272 8.878 745 2HB GLN 103 1HB GLN 103 -3.976 -12.568 7.724 746 1HG GLN 103 2HG GLN 103 -2.363 -13.213 9.385 747 2HG GLN 103 1HG GLN 103 -1.604 -13.096 7.798 748 1HE2 GLN 103 1HE2 GLN 103 -0.185 -11.470 7.391 749 2HE2 GLN 103 2HE2 GLN 103 0.566 -10.541 8.643 750 H VAL 104 H VAL 104 -3.243 -11.615 4.515 751 HA VAL 104 HA VAL 104 -5.865 -10.522 4.015 752 HB VAL 104 HB VAL 104 -4.285 -12.475 2.328 753 1HG1 VAL 104 1HG1 VAL 104 -6.690 -12.326 1.821 754 2HG1 VAL 104 2HG1 VAL 104 -5.690 -11.722 0.508 755 3HG1 VAL 104 3HG1 VAL 104 -6.517 -10.590 1.573 756 1HG2 VAL 104 1HG2 VAL 104 -4.361 -9.466 2.141 757 2HG2 VAL 104 2HG2 VAL 104 -3.478 -10.556 1.067 758 3HG2 VAL 104 3HG2 VAL 104 -3.011 -10.413 2.763 759 H SER 105 H SER 105 -7.751 -11.752 3.718 760 HA SER 105 HA SER 105 -7.809 -13.996 5.548 761 1HB SER 105 2HB SER 105 -9.466 -12.045 5.537 762 2HB SER 105 1HB SER 105 -10.179 -12.801 4.114 763 HG SER 105 HG SER 105 -11.110 -14.208 5.359 764 H THR 106 H THR 106 -6.471 -15.145 3.821 765 HA THR 106 HA THR 106 -8.197 -16.419 1.831 766 HB THR 106 HB THR 106 -5.915 -17.383 1.052 767 HG1 THR 106 HG1 THR 106 -4.340 -15.486 1.623 768 1HG2 THR 106 1HG2 THR 106 -6.542 -14.442 0.773 769 2HG2 THR 106 2HG2 THR 106 -7.204 -15.745 -0.215 770 3HG2 THR 106 3HG2 THR 106 -5.483 -15.369 -0.286 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -11.889 15.285 11.506 2 2H ALA 1 2H ALA 1 -11.966 16.803 10.757 3 3H ALA 1 3H ALA 1 -12.741 16.552 12.249 4 HA ALA 1 HA ALA 1 -10.731 17.782 12.596 5 1HB ALA 1 1HB ALA 1 -11.429 16.145 14.296 6 2HB ALA 1 2HB ALA 1 -9.675 16.331 14.237 7 3HB ALA 1 3HB ALA 1 -10.436 14.918 13.503 8 H SER 2 H SER 2 -8.232 16.561 13.080 9 HA SER 2 HA SER 2 -6.850 16.978 10.734 10 1HB SER 2 2HB SER 2 -5.037 15.558 11.898 11 2HB SER 2 1HB SER 2 -5.601 17.006 12.732 12 HG SER 2 HG SER 2 -5.820 14.364 13.446 13 H ILE 3 H ILE 3 -6.915 15.934 8.875 14 HA ILE 3 HA ILE 3 -8.099 13.419 8.592 15 HB ILE 3 HB ILE 3 -8.538 14.609 6.756 16 1HG1 ILE 3 2HG1 ILE 3 -6.756 12.630 6.271 17 2HG1 ILE 3 1HG1 ILE 3 -7.671 13.471 5.025 18 1HG2 ILE 3 1HG2 ILE 3 -6.860 16.178 5.659 19 2HG2 ILE 3 2HG2 ILE 3 -5.888 15.954 7.113 20 3HG2 ILE 3 3HG2 ILE 3 -7.511 16.639 7.233 21 1HD1 ILE 3 1HD1 ILE 3 -4.810 13.578 5.701 22 2HD1 ILE 3 2HD1 ILE 3 -5.563 15.114 5.277 23 3HD1 ILE 3 3HD1 ILE 3 -5.617 13.760 4.140 24 HA PRO 4 HA PRO 4 -3.630 11.719 8.029 25 1HB PRO 4 2HB PRO 4 -1.617 13.090 9.194 26 2HB PRO 4 1HB PRO 4 -2.074 13.338 7.504 27 1HG PRO 4 2HG PRO 4 -2.776 14.970 9.913 28 2HG PRO 4 1HG PRO 4 -2.278 15.511 8.299 29 1HD PRO 4 2HD PRO 4 -4.873 15.478 9.099 30 2HD PRO 4 1HD PRO 4 -4.379 15.227 7.415 31 H SER 5 H SER 5 -3.242 10.150 9.518 32 HA SER 5 HA SER 5 -3.195 10.782 12.343 33 1HB SER 5 2HB SER 5 -5.633 10.483 11.684 34 2HB SER 5 1HB SER 5 -5.246 8.799 11.339 35 HG SER 5 HG SER 5 -5.824 8.664 13.399 36 H SER 6 H SER 6 -3.470 8.046 10.053 37 HA SER 6 HA SER 6 -2.128 6.251 11.776 38 1HB SER 6 2HB SER 6 -2.606 6.004 8.796 39 2HB SER 6 1HB SER 6 -2.244 4.686 9.917 40 HG SER 6 HG SER 6 -4.568 5.235 9.299 41 H ALA 7 H ALA 7 -0.953 7.058 8.484 42 HA ALA 7 HA ALA 7 1.676 7.642 9.534 43 1HB ALA 7 1HB ALA 7 2.647 5.929 7.964 44 2HB ALA 7 2HB ALA 7 1.035 5.247 7.832 45 3HB ALA 7 3HB ALA 7 1.856 5.289 9.395 46 H SER 8 H SER 8 3.106 7.505 7.173 47 HA SER 8 HA SER 8 2.170 9.763 5.718 48 1HB SER 8 2HB SER 8 4.286 7.777 4.858 49 2HB SER 8 1HB SER 8 4.107 9.447 4.319 50 HG SER 8 HG SER 8 4.951 8.467 6.831 51 H VAL 9 H VAL 9 1.570 6.404 5.497 52 HA VAL 9 HA VAL 9 -0.217 6.885 3.266 53 HB VAL 9 HB VAL 9 1.743 6.184 2.077 54 1HG1 VAL 9 1HG1 VAL 9 2.641 3.819 2.701 55 2HG1 VAL 9 2HG1 VAL 9 1.966 4.208 4.284 56 3HG1 VAL 9 3HG1 VAL 9 3.196 5.247 3.565 57 1HG2 VAL 9 1HG2 VAL 9 -0.359 5.177 1.316 58 2HG2 VAL 9 2HG2 VAL 9 -0.077 3.795 2.374 59 3HG2 VAL 9 3HG2 VAL 9 1.016 4.110 1.025 60 H GLN 10 H GLN 10 -1.935 5.434 3.230 61 HA GLN 10 HA GLN 10 -2.026 3.324 5.256 62 1HB GLN 10 2HB GLN 10 -2.939 5.391 6.297 63 2HB GLN 10 1HB GLN 10 -4.117 5.499 4.997 64 1HG GLN 10 2HG GLN 10 -4.790 3.109 5.769 65 2HG GLN 10 1HG GLN 10 -3.963 3.558 7.259 66 1HE2 GLN 10 1HE2 GLN 10 -6.670 4.141 5.195 67 2HE2 GLN 10 2HE2 GLN 10 -7.572 5.139 6.289 68 H LEU 11 H LEU 11 -3.272 1.593 4.610 69 HA LEU 11 HA LEU 11 -4.285 1.460 1.968 70 1HB LEU 11 2HB LEU 11 -3.617 -0.547 3.150 71 2HB LEU 11 1HB LEU 11 -4.834 -0.263 4.383 72 HG LEU 11 HG LEU 11 -6.413 -0.337 2.193 73 1HD1 LEU 11 1HD1 LEU 11 -4.230 -0.902 0.912 74 2HD1 LEU 11 2HD1 LEU 11 -5.702 -1.799 0.563 75 3HD1 LEU 11 3HD1 LEU 11 -4.457 -2.512 1.589 76 1HD2 LEU 11 1HD2 LEU 11 -6.923 -2.643 2.841 77 2HD2 LEU 11 2HD2 LEU 11 -6.740 -1.593 4.246 78 3HD2 LEU 11 3HD2 LEU 11 -5.443 -2.700 3.797 79 H ASP 12 H ASP 12 -6.205 2.065 1.153 80 HA ASP 12 HA ASP 12 -8.334 2.983 2.890 81 1HB ASP 12 2HB ASP 12 -7.910 4.043 0.661 82 2HB ASP 12 1HB ASP 12 -8.379 2.546 -0.116 83 H SER 13 H SER 13 -8.144 0.615 0.285 84 HA SER 13 HA SER 13 -9.203 -1.544 1.824 85 1HB SER 13 2HB SER 13 -11.043 -0.232 -0.196 86 2HB SER 13 1HB SER 13 -11.291 -1.842 0.477 87 HG SER 13 HG SER 13 -10.906 0.240 2.285 88 H TYR 14 H TYR 14 -9.213 -3.476 0.746 89 HA TYR 14 HA TYR 14 -8.521 -3.528 -2.091 90 1HB TYR 14 2HB TYR 14 -6.762 -5.210 -1.734 91 2HB TYR 14 1HB TYR 14 -6.348 -3.698 -0.939 92 HD1 TYR 14 HD1 TYR 14 -7.786 -7.062 -0.272 93 HD2 TYR 14 HD2 TYR 14 -5.778 -3.689 1.323 94 HE1 TYR 14 HE1 TYR 14 -7.416 -8.289 1.824 95 HE2 TYR 14 HE2 TYR 14 -5.408 -4.881 3.424 96 HH TYR 14 HH TYR 14 -6.548 -6.808 4.667 97 H ASN 15 H ASN 15 -9.018 -5.651 -3.037 98 HA ASN 15 HA ASN 15 -10.874 -7.163 -1.323 99 1HB ASN 15 2HB ASN 15 -11.061 -6.653 -4.295 100 2HB ASN 15 1HB ASN 15 -12.090 -7.776 -3.418 101 1HD2 ASN 15 1HD2 ASN 15 -12.842 -5.456 -4.941 102 2HD2 ASN 15 2HD2 ASN 15 -13.673 -4.402 -3.848 103 H TYR 16 H TYR 16 -11.053 -9.372 -1.704 104 HA TYR 16 HA TYR 16 -9.061 -10.647 -3.427 105 1HB TYR 16 2HB TYR 16 -8.272 -10.679 -0.992 106 2HB TYR 16 1HB TYR 16 -9.681 -11.677 -0.661 107 HD1 TYR 16 HD1 TYR 16 -6.524 -11.583 -2.624 108 HD2 TYR 16 HD2 TYR 16 -9.647 -14.001 -1.038 109 HE1 TYR 16 HE1 TYR 16 -5.256 -13.602 -3.212 110 HE2 TYR 16 HE2 TYR 16 -8.385 -16.026 -1.629 111 HH TYR 16 HH TYR 16 -5.125 -15.992 -2.483 112 H ASP 17 H ASP 17 -9.780 -12.643 -4.207 113 HA ASP 17 HA ASP 17 -12.193 -13.897 -3.633 114 1HB ASP 17 2HB ASP 17 -13.292 -11.826 -4.302 115 2HB ASP 17 1HB ASP 17 -12.405 -11.816 -5.823 116 H GLY 18 H GLY 18 -11.825 -15.870 -4.434 117 1HA GLY 18 2HA GLY 18 -10.713 -17.524 -5.586 118 2HA GLY 18 1HA GLY 18 -10.927 -16.503 -7.010 119 H SER 19 H SER 19 -9.139 -15.655 -7.903 120 HA SER 19 HA SER 19 -6.933 -15.011 -6.065 121 1HB SER 19 2HB SER 19 -6.724 -15.691 -9.012 122 2HB SER 19 1HB SER 19 -5.382 -15.329 -7.930 123 HG SER 19 HG SER 19 -6.033 -17.204 -6.695 124 H THR 20 H THR 20 -7.844 -12.988 -5.662 125 HA THR 20 HA THR 20 -7.268 -11.001 -7.725 126 HB THR 20 HB THR 20 -9.840 -10.992 -6.123 127 HG1 THR 20 HG1 THR 20 -10.113 -12.394 -7.822 128 1HG2 THR 20 1HG2 THR 20 -8.810 -8.739 -6.534 129 2HG2 THR 20 2HG2 THR 20 -10.394 -8.960 -7.296 130 3HG2 THR 20 3HG2 THR 20 -8.930 -9.069 -8.270 131 H PHE 21 H PHE 21 -6.249 -9.239 -6.872 132 HA PHE 21 HA PHE 21 -6.422 -8.832 -3.979 133 1HB PHE 21 2HB PHE 21 -4.374 -10.011 -4.270 134 2HB PHE 21 1HB PHE 21 -3.930 -9.044 -5.665 135 HD1 PHE 21 HD1 PHE 21 -5.104 -8.004 -2.320 136 HD2 PHE 21 HD2 PHE 21 -1.908 -8.080 -5.102 137 HE1 PHE 21 HE1 PHE 21 -3.779 -6.591 -0.831 138 HE2 PHE 21 HE2 PHE 21 -0.571 -6.645 -3.618 139 HZ PHE 21 HZ PHE 21 -1.512 -5.893 -1.470 140 H SER 22 H SER 22 -6.522 -6.786 -3.340 141 HA SER 22 HA SER 22 -5.750 -4.628 -3.234 142 1HB SER 22 2HB SER 22 -5.288 -4.794 -6.207 143 2HB SER 22 1HB SER 22 -4.888 -3.406 -5.181 144 HG SER 22 HG SER 22 -3.586 -5.798 -5.501 145 H GLY 23 H GLY 23 -6.343 -2.441 -4.419 146 1HA GLY 23 2HA GLY 23 -8.949 -2.210 -5.484 147 2HA GLY 23 1HA GLY 23 -8.992 -1.998 -3.736 148 H LYS 24 H LYS 24 -7.598 -0.320 -2.793 149 HA LYS 24 HA LYS 24 -6.214 1.506 -4.469 150 1HB LYS 24 2HB LYS 24 -7.586 3.491 -4.162 151 2HB LYS 24 1HB LYS 24 -8.450 2.247 -5.051 152 1HG LYS 24 2HG LYS 24 -8.810 2.638 -2.092 153 2HG LYS 24 1HG LYS 24 -9.725 3.571 -3.276 154 1HD LYS 24 2HD LYS 24 -10.577 1.469 -4.237 155 2HD LYS 24 1HD LYS 24 -9.689 0.565 -3.007 156 1HE LYS 24 2HE LYS 24 -12.019 0.808 -2.373 157 2HE LYS 24 1HE LYS 24 -10.977 1.691 -1.259 158 1HZ LYS 24 1HZ LYS 24 -12.900 2.996 -1.833 159 2HZ LYS 24 2HZ LYS 24 -12.551 2.869 -3.487 160 3HZ LYS 24 3HZ LYS 24 -11.511 3.736 -2.465 161 H ILE 25 H ILE 25 -5.642 3.587 -3.170 162 HA ILE 25 HA ILE 25 -4.982 2.752 -0.423 163 HB ILE 25 HB ILE 25 -2.996 3.861 -2.416 164 1HG1 ILE 25 2HG1 ILE 25 -3.273 1.054 -1.311 165 2HG1 ILE 25 1HG1 ILE 25 -3.675 1.548 -2.950 166 1HG2 ILE 25 1HG2 ILE 25 -2.486 4.504 -0.131 167 2HG2 ILE 25 2HG2 ILE 25 -1.323 3.309 -0.699 168 3HG2 ILE 25 3HG2 ILE 25 -2.618 2.826 0.394 169 1HD1 ILE 25 1HD1 ILE 25 -0.939 1.592 -1.705 170 2HD1 ILE 25 2HD1 ILE 25 -1.332 2.124 -3.339 171 3HD1 ILE 25 3HD1 ILE 25 -1.537 0.429 -2.889 172 H TYR 26 H TYR 26 -4.321 4.441 0.970 173 HA TYR 26 HA TYR 26 -5.326 7.121 0.230 174 1HB TYR 26 2HB TYR 26 -6.605 5.657 1.928 175 2HB TYR 26 1HB TYR 26 -5.234 5.899 2.997 176 HD1 TYR 26 HD1 TYR 26 -4.623 8.358 3.536 177 HD2 TYR 26 HD2 TYR 26 -8.373 7.132 1.948 178 HE1 TYR 26 HE1 TYR 26 -5.664 10.427 4.393 179 HE2 TYR 26 HE2 TYR 26 -9.419 9.193 2.789 180 HH TYR 26 HH TYR 26 -7.639 11.841 3.888 181 H VAL 27 H VAL 27 -3.521 8.473 -0.011 182 HA VAL 27 HA VAL 27 -1.151 7.772 1.598 183 HB VAL 27 HB VAL 27 -1.007 6.870 -0.713 184 1HG1 VAL 27 1HG1 VAL 27 -2.276 8.579 -1.867 185 2HG1 VAL 27 2HG1 VAL 27 -0.672 8.401 -2.580 186 3HG1 VAL 27 3HG1 VAL 27 -1.018 9.768 -1.517 187 1HG2 VAL 27 1HG2 VAL 27 1.005 9.066 -0.365 188 2HG2 VAL 27 2HG2 VAL 27 1.231 7.475 -1.094 189 3HG2 VAL 27 3HG2 VAL 27 0.998 7.622 0.649 190 H LYS 28 H LYS 28 0.191 9.415 2.244 191 HA LYS 28 HA LYS 28 -0.779 12.147 2.078 192 1HB LYS 28 2HB LYS 28 0.109 11.166 4.201 193 2HB LYS 28 1HB LYS 28 1.675 10.986 3.431 194 1HG LYS 28 2HG LYS 28 1.574 13.527 3.084 195 2HG LYS 28 1HG LYS 28 0.280 13.492 4.286 196 1HD LYS 28 2HD LYS 28 3.106 12.487 4.650 197 2HD LYS 28 1HD LYS 28 2.408 13.941 5.364 198 1HE LYS 28 2HE LYS 28 1.159 11.268 5.873 199 2HE LYS 28 1HE LYS 28 2.593 11.755 6.774 200 1HZ LYS 28 1HZ LYS 28 0.374 12.267 7.824 201 2HZ LYS 28 2HZ LYS 28 0.171 13.459 6.632 202 3HZ LYS 28 3HZ LYS 28 1.468 13.554 7.722 203 H ASN 29 H ASN 29 0.521 13.867 1.183 204 HA ASN 29 HA ASN 29 2.390 12.878 -0.851 205 1HB ASN 29 2HB ASN 29 2.062 14.936 -2.068 206 2HB ASN 29 1HB ASN 29 0.500 14.249 -1.682 207 1HD2 ASN 29 1HD2 ASN 29 2.540 16.884 -1.415 208 2HD2 ASN 29 2HD2 ASN 29 1.526 17.913 -0.468 209 H ILE 30 H ILE 30 4.451 12.944 -0.350 210 HA ILE 30 HA ILE 30 5.526 14.986 1.428 211 HB ILE 30 HB ILE 30 7.066 12.936 -0.180 212 1HG1 ILE 30 2HG1 ILE 30 5.534 11.684 1.177 213 2HG1 ILE 30 1HG1 ILE 30 7.119 11.596 1.932 214 1HG2 ILE 30 1HG2 ILE 30 8.366 14.817 0.705 215 2HG2 ILE 30 2HG2 ILE 30 8.825 13.282 1.435 216 3HG2 ILE 30 3HG2 ILE 30 7.819 14.417 2.334 217 1HD1 ILE 30 1HD1 ILE 30 5.280 11.882 3.532 218 2HD1 ILE 30 2HD1 ILE 30 4.908 13.443 2.796 219 3HD1 ILE 30 3HD1 ILE 30 6.459 13.196 3.600 220 H ALA 31 H ALA 31 5.918 13.854 -1.869 221 HA ALA 31 HA ALA 31 6.342 16.595 -2.766 222 1HB ALA 31 1HB ALA 31 8.486 15.495 -2.963 223 2HB ALA 31 2HB ALA 31 7.787 15.640 -4.574 224 3HB ALA 31 3HB ALA 31 7.741 14.094 -3.731 225 H TYR 32 H TYR 32 6.279 15.632 -5.567 226 HA TYR 32 HA TYR 32 3.435 14.902 -5.592 227 1HB TYR 32 2HB TYR 32 4.263 17.031 -6.684 228 2HB TYR 32 1HB TYR 32 4.994 16.005 -7.918 229 HD1 TYR 32 HD1 TYR 32 1.714 15.892 -6.152 230 HD2 TYR 32 HD2 TYR 32 3.744 16.155 -9.874 231 HE1 TYR 32 HE1 TYR 32 -0.448 15.830 -7.318 232 HE2 TYR 32 HE2 TYR 32 1.589 16.088 -11.061 233 HH TYR 32 HH TYR 32 -1.400 16.501 -9.451 234 H SER 33 H SER 33 6.480 14.242 -7.279 235 HA SER 33 HA SER 33 5.513 11.869 -8.533 236 1HB SER 33 2HB SER 33 8.398 12.627 -8.024 237 2HB SER 33 1HB SER 33 7.765 11.585 -9.309 238 HG SER 33 HG SER 33 7.710 13.345 -10.445 239 H LYS 34 H LYS 34 4.601 10.799 -6.663 240 HA LYS 34 HA LYS 34 6.540 9.721 -4.752 241 1HB LYS 34 2HB LYS 34 3.521 9.676 -4.659 242 2HB LYS 34 1HB LYS 34 4.622 9.296 -3.342 243 1HG LYS 34 2HG LYS 34 5.333 11.581 -3.214 244 2HG LYS 34 1HG LYS 34 4.411 11.980 -4.663 245 1HD LYS 34 2HD LYS 34 3.246 11.051 -2.042 246 2HD LYS 34 1HD LYS 34 3.282 12.712 -2.626 247 1HE LYS 34 2HE LYS 34 1.888 10.432 -4.018 248 2HE LYS 34 1HE LYS 34 1.096 11.605 -2.970 249 1HZ LYS 34 1HZ LYS 34 0.805 12.211 -5.272 250 2HZ LYS 34 2HZ LYS 34 2.483 12.200 -5.535 251 3HZ LYS 34 3HZ LYS 34 1.797 13.359 -4.512 252 H LYS 35 H LYS 35 6.414 7.421 -4.247 253 HA LYS 35 HA LYS 35 5.060 5.843 -6.320 254 1HB LYS 35 2HB LYS 35 7.759 5.235 -5.101 255 2HB LYS 35 1HB LYS 35 6.910 4.241 -6.276 256 1HG LYS 35 2HG LYS 35 6.999 6.291 -7.803 257 2HG LYS 35 1HG LYS 35 8.205 6.912 -6.673 258 1HD LYS 35 2HD LYS 35 9.331 5.798 -8.486 259 2HD LYS 35 1HD LYS 35 9.521 4.835 -7.019 260 1HE LYS 35 2HE LYS 35 8.998 3.412 -8.927 261 2HE LYS 35 1HE LYS 35 7.697 3.374 -7.739 262 1HZ LYS 35 1HZ LYS 35 7.700 5.021 -10.212 263 2HZ LYS 35 2HZ LYS 35 6.431 4.906 -9.096 264 3HZ LYS 35 3HZ LYS 35 6.871 3.558 -10.023 265 H VAL 36 H VAL 36 3.665 4.449 -5.517 266 HA VAL 36 HA VAL 36 4.049 3.614 -2.723 267 HB VAL 36 HB VAL 36 1.433 4.106 -4.157 268 1HG1 VAL 36 1HG1 VAL 36 0.346 3.356 -2.117 269 2HG1 VAL 36 2HG1 VAL 36 1.911 2.962 -1.412 270 3HG1 VAL 36 3HG1 VAL 36 1.322 2.061 -2.806 271 1HG2 VAL 36 1HG2 VAL 36 2.623 6.064 -3.209 272 2HG2 VAL 36 2HG2 VAL 36 2.535 5.305 -1.621 273 3HG2 VAL 36 3HG2 VAL 36 1.055 5.764 -2.466 274 H THR 37 H THR 37 4.180 1.539 -2.385 275 HA THR 37 HA THR 37 3.605 -0.267 -4.605 276 HB THR 37 HB THR 37 5.993 -1.246 -3.989 277 HG1 THR 37 HG1 THR 37 5.974 1.301 -2.937 278 1HG2 THR 37 1HG2 THR 37 5.332 0.994 -5.878 279 2HG2 THR 37 2HG2 THR 37 5.465 -0.730 -6.229 280 3HG2 THR 37 3HG2 THR 37 6.912 0.212 -5.864 281 H VAL 38 H VAL 38 2.843 -2.143 -3.971 282 HA VAL 38 HA VAL 38 2.711 -2.623 -1.090 283 HB VAL 38 HB VAL 38 1.052 -3.584 -3.387 284 1HG1 VAL 38 1HG1 VAL 38 0.008 -5.262 -2.123 285 2HG1 VAL 38 2HG1 VAL 38 0.770 -4.737 -0.627 286 3HG1 VAL 38 3HG1 VAL 38 1.733 -5.531 -1.872 287 1HG2 VAL 38 1HG2 VAL 38 -0.705 -2.930 -1.667 288 2HG2 VAL 38 2HG2 VAL 38 0.179 -1.646 -2.482 289 3HG2 VAL 38 3HG2 VAL 38 0.604 -2.110 -0.831 290 H VAL 39 H VAL 39 3.858 -4.030 -0.171 291 HA VAL 39 HA VAL 39 5.229 -6.070 -1.790 292 HB VAL 39 HB VAL 39 6.024 -6.037 1.007 293 1HG1 VAL 39 1HG1 VAL 39 7.559 -5.512 -1.541 294 2HG1 VAL 39 2HG1 VAL 39 7.254 -7.089 -0.817 295 3HG1 VAL 39 3HG1 VAL 39 8.253 -5.910 0.031 296 1HG2 VAL 39 1HG2 VAL 39 7.187 -3.885 1.031 297 2HG2 VAL 39 2HG2 VAL 39 5.442 -3.657 0.898 298 3HG2 VAL 39 3HG2 VAL 39 6.468 -3.463 -0.524 299 H TYR 40 H TYR 40 3.882 -7.843 -1.861 300 HA TYR 40 HA TYR 40 2.707 -8.593 0.703 301 1HB TYR 40 2HB TYR 40 1.437 -10.292 -0.572 302 2HB TYR 40 1HB TYR 40 1.086 -8.633 -1.024 303 HD1 TYR 40 HD1 TYR 40 0.382 -8.731 -3.064 304 HD2 TYR 40 HD2 TYR 40 3.864 -10.898 -2.222 305 HE1 TYR 40 HE1 TYR 40 0.597 -9.224 -5.477 306 HE2 TYR 40 HE2 TYR 40 4.143 -11.425 -4.607 307 HH TYR 40 HH TYR 40 2.711 -11.600 -6.618 308 H ALA 41 H ALA 41 3.011 -10.407 1.685 309 HA ALA 41 HA ALA 41 5.151 -12.111 0.793 310 1HB ALA 41 1HB ALA 41 5.312 -12.617 2.913 311 2HB ALA 41 2HB ALA 41 3.636 -13.125 2.995 312 3HB ALA 41 3HB ALA 41 4.053 -11.447 3.266 313 H ASP 42 H ASP 42 4.565 -12.911 -0.932 314 HA ASP 42 HA ASP 42 2.098 -13.504 -2.014 315 1HB ASP 42 2HB ASP 42 4.369 -13.221 -3.133 316 2HB ASP 42 1HB ASP 42 4.681 -14.902 -2.735 317 H GLY 43 H GLY 43 2.221 -16.081 -3.128 318 1HA GLY 43 2HA GLY 43 0.895 -17.650 -1.216 319 2HA GLY 43 1HA GLY 43 1.569 -18.248 -2.726 320 H SER 44 H SER 44 4.227 -17.115 -1.690 321 HA SER 44 HA SER 44 5.370 -19.409 -0.600 322 1HB SER 44 2HB SER 44 6.653 -17.593 -1.680 323 2HB SER 44 1HB SER 44 6.274 -16.530 -0.329 324 HG SER 44 HG SER 44 7.474 -18.981 0.275 325 H ASP 45 H ASP 45 3.643 -16.745 0.868 326 HA ASP 45 HA ASP 45 2.632 -16.552 2.896 327 1HB ASP 45 2HB ASP 45 2.180 -19.001 2.678 328 2HB ASP 45 1HB ASP 45 3.711 -19.327 3.477 329 H ASN 46 H ASN 46 5.478 -16.046 2.208 330 HA ASN 46 HA ASN 46 6.597 -15.463 4.794 331 1HB ASN 46 2HB ASN 46 7.726 -17.670 3.065 332 2HB ASN 46 1HB ASN 46 8.694 -16.830 4.272 333 1HD2 ASN 46 1HD2 ASN 46 6.217 -19.175 3.714 334 2HD2 ASN 46 2HD2 ASN 46 6.094 -19.736 5.348 335 H TRP 47 H TRP 47 8.397 -14.046 4.558 336 HA TRP 47 HA TRP 47 8.772 -13.126 1.872 337 1HB TRP 47 2HB TRP 47 8.815 -11.852 4.415 338 2HB TRP 47 1HB TRP 47 10.336 -11.582 3.554 339 HD1 TRP 47 HD1 TRP 47 9.903 -11.202 0.828 340 HE1 TRP 47 HE1 TRP 47 8.250 -9.541 -0.256 341 HE3 TRP 47 HE3 TRP 47 6.803 -10.491 4.780 342 HZ2 TRP 47 HZ2 TRP 47 5.916 -8.225 0.526 343 HZ3 TRP 47 HZ3 TRP 47 4.914 -9.044 4.509 344 HH2 TRP 47 HH2 TRP 47 4.463 -7.920 2.438 345 H ASN 48 H ASN 48 10.085 -14.592 0.898 346 HA ASN 48 HA ASN 48 12.489 -15.529 2.184 347 1HB ASN 48 2HB ASN 48 12.883 -16.681 -0.029 348 2HB ASN 48 1HB ASN 48 11.407 -17.145 0.810 349 1HD2 ASN 48 1HD2 ASN 48 9.434 -16.660 -0.095 350 2HD2 ASN 48 2HD2 ASN 48 9.278 -16.070 -1.727 351 H ASN 49 H ASN 49 12.103 -12.671 1.544 352 HA ASN 49 HA ASN 49 13.178 -10.863 0.679 353 1HB ASN 49 2HB ASN 49 15.532 -12.741 0.995 354 2HB ASN 49 1HB ASN 49 15.664 -11.004 0.718 355 1HD2 ASN 49 1HD2 ASN 49 16.500 -12.740 2.961 356 2HD2 ASN 49 2HD2 ASN 49 15.803 -12.021 4.379 357 H ASN 50 H ASN 50 11.938 -11.445 -1.340 358 HA ASN 50 HA ASN 50 13.756 -12.342 -3.473 359 1HB ASN 50 2HB ASN 50 12.016 -13.990 -3.067 360 2HB ASN 50 1HB ASN 50 10.764 -12.745 -3.245 361 1HD2 ASN 50 1HD2 ASN 50 10.025 -12.247 -5.236 362 2HD2 ASN 50 2HD2 ASN 50 10.635 -12.948 -6.717 363 H GLY 51 H GLY 51 10.726 -10.506 -3.121 364 1HA GLY 51 2HA GLY 51 10.940 -8.114 -3.942 365 2HA GLY 51 1HA GLY 51 11.605 -8.855 -5.398 366 H ASN 52 H ASN 52 8.756 -8.762 -3.326 367 HA ASN 52 HA ASN 52 7.116 -9.591 -5.638 368 1HB ASN 52 2HB ASN 52 6.547 -10.035 -2.696 369 2HB ASN 52 1HB ASN 52 5.543 -10.572 -4.038 370 1HD2 ASN 52 1HD2 ASN 52 6.834 -12.075 -1.904 371 2HD2 ASN 52 2HD2 ASN 52 7.809 -13.266 -2.699 372 H ILE 53 H ILE 53 6.818 -7.415 -6.304 373 HA ILE 53 HA ILE 53 5.420 -5.712 -4.361 374 HB ILE 53 HB ILE 53 7.758 -5.060 -4.967 375 1HG1 ILE 53 2HG1 ILE 53 7.103 -2.634 -5.439 376 2HG1 ILE 53 1HG1 ILE 53 5.442 -3.226 -5.433 377 1HG2 ILE 53 1HG2 ILE 53 7.791 -3.722 -7.210 378 2HG2 ILE 53 2HG2 ILE 53 6.526 -4.871 -7.663 379 3HG2 ILE 53 3HG2 ILE 53 8.120 -5.452 -7.185 380 1HD1 ILE 53 1HD1 ILE 53 7.328 -3.736 -3.167 381 2HD1 ILE 53 2HD1 ILE 53 5.570 -3.888 -3.191 382 3HD1 ILE 53 3HD1 ILE 53 6.320 -2.292 -3.258 383 H ILE 54 H ILE 54 3.744 -4.463 -5.047 384 HA ILE 54 HA ILE 54 3.037 -4.537 -7.911 385 HB ILE 54 HB ILE 54 1.441 -5.900 -6.447 386 1HG1 ILE 54 2HG1 ILE 54 -0.605 -4.826 -7.522 387 2HG1 ILE 54 1HG1 ILE 54 0.497 -3.600 -8.147 388 1HG2 ILE 54 1HG2 ILE 54 0.401 -3.214 -5.584 389 2HG2 ILE 54 2HG2 ILE 54 1.424 -4.238 -4.572 390 3HG2 ILE 54 3HG2 ILE 54 -0.158 -4.815 -5.093 391 1HD1 ILE 54 1HD1 ILE 54 0.679 -6.556 -8.679 392 2HD1 ILE 54 2HD1 ILE 54 1.744 -5.312 -9.334 393 3HD1 ILE 54 3HD1 ILE 54 0.040 -5.342 -9.789 394 H ALA 55 H ALA 55 2.500 -2.531 -8.790 395 HA ALA 55 HA ALA 55 3.188 -0.295 -7.030 396 1HB ALA 55 1HB ALA 55 4.514 -0.634 -9.098 397 2HB ALA 55 2HB ALA 55 3.749 0.953 -8.992 398 3HB ALA 55 3HB ALA 55 3.061 -0.291 -10.040 399 H ALA 56 H ALA 56 1.917 1.440 -6.719 400 HA ALA 56 HA ALA 56 -0.887 1.195 -7.482 401 1HB ALA 56 1HB ALA 56 -1.096 1.832 -5.345 402 2HB ALA 56 2HB ALA 56 -0.572 3.434 -5.866 403 3HB ALA 56 3HB ALA 56 0.604 2.282 -5.249 404 H SER 57 H SER 57 -1.997 2.816 -8.597 405 HA SER 57 HA SER 57 -0.341 4.803 -9.964 406 1HB SER 57 2HB SER 57 -2.137 4.793 -11.681 407 2HB SER 57 1HB SER 57 -1.410 3.204 -11.461 408 HG SER 57 HG SER 57 -3.497 3.499 -9.784 409 H PHE 58 H PHE 58 -1.149 6.916 -10.105 410 HA PHE 58 HA PHE 58 -2.452 7.769 -7.757 411 1HB PHE 58 2HB PHE 58 -2.129 9.606 -10.099 412 2HB PHE 58 1HB PHE 58 -2.116 9.980 -8.381 413 HD1 PHE 58 HD1 PHE 58 0.031 7.303 -8.475 414 HD2 PHE 58 HD2 PHE 58 -0.218 11.317 -9.869 415 HE1 PHE 58 HE1 PHE 58 2.482 7.423 -8.572 416 HE2 PHE 58 HE2 PHE 58 2.234 11.443 -9.960 417 HZ PHE 58 HZ PHE 58 3.590 9.492 -9.314 418 H SER 59 H SER 59 -4.491 8.559 -7.470 419 HA SER 59 HA SER 59 -6.303 8.286 -9.771 420 1HB SER 59 2HB SER 59 -6.712 6.653 -7.919 421 2HB SER 59 1HB SER 59 -7.015 8.012 -6.840 422 HG SER 59 HG SER 59 -8.465 7.573 -9.243 423 H GLY 60 H GLY 60 -5.613 10.149 -6.807 424 1HA GLY 60 2HA GLY 60 -5.529 12.596 -7.112 425 2HA GLY 60 1HA GLY 60 -6.953 12.444 -8.122 426 HA PRO 61 HA PRO 61 -10.457 12.874 -5.721 427 1HB PRO 61 2HB PRO 61 -9.874 10.398 -4.164 428 2HB PRO 61 1HB PRO 61 -11.437 11.044 -4.684 429 1HG PRO 61 2HG PRO 61 -9.962 9.193 -6.108 430 2HG PRO 61 1HG PRO 61 -11.192 10.257 -6.810 431 1HD PRO 61 2HD PRO 61 -8.406 10.264 -7.373 432 2HD PRO 61 1HD PRO 61 -9.602 11.464 -7.901 433 H ILE 62 H ILE 62 -7.885 11.942 -3.438 434 HA ILE 62 HA ILE 62 -9.190 13.328 -1.292 435 HB ILE 62 HB ILE 62 -6.245 12.674 -1.272 436 1HG1 ILE 62 2HG1 ILE 62 -8.589 10.849 -0.703 437 2HG1 ILE 62 1HG1 ILE 62 -7.324 10.622 -1.903 438 1HG2 ILE 62 1HG2 ILE 62 -8.132 12.492 1.038 439 2HG2 ILE 62 2HG2 ILE 62 -7.550 14.079 0.511 440 3HG2 ILE 62 3HG2 ILE 62 -6.400 12.843 1.031 441 1HD1 ILE 62 1HD1 ILE 62 -6.875 10.624 1.062 442 2HD1 ILE 62 2HD1 ILE 62 -5.689 10.293 -0.199 443 3HD1 ILE 62 3HD1 ILE 62 -7.035 9.186 0.052 444 H SER 63 H SER 63 -9.585 15.374 -2.068 445 HA SER 63 HA SER 63 -7.233 17.109 -2.402 446 1HB SER 63 2HB SER 63 -8.791 16.897 -4.376 447 2HB SER 63 1HB SER 63 -10.049 17.629 -3.383 448 HG SER 63 HG SER 63 -9.109 19.261 -4.536 449 H GLY 64 H GLY 64 -7.610 19.387 -1.598 450 1HA GLY 64 2HA GLY 64 -8.238 20.866 0.065 451 2HA GLY 64 1HA GLY 64 -9.607 19.818 0.418 452 H SER 65 H SER 65 -6.461 18.453 0.354 453 HA SER 65 HA SER 65 -5.990 18.694 3.190 454 1HB SER 65 2HB SER 65 -6.694 16.006 1.967 455 2HB SER 65 1HB SER 65 -6.081 16.248 3.603 456 HG SER 65 HG SER 65 -8.192 17.854 3.204 457 H ASN 66 H ASN 66 -4.046 17.172 3.745 458 HA ASN 66 HA ASN 66 -2.040 17.664 1.690 459 1HB ASN 66 2HB ASN 66 -1.610 16.676 4.521 460 2HB ASN 66 1HB ASN 66 -0.395 17.332 3.428 461 1HD2 ASN 66 1HD2 ASN 66 -0.364 19.566 3.016 462 2HD2 ASN 66 2HD2 ASN 66 -1.167 20.690 4.064 463 H TYR 67 H TYR 67 -3.942 15.552 1.314 464 HA TYR 67 HA TYR 67 -2.092 13.286 1.140 465 1HB TYR 67 2HB TYR 67 -4.897 13.274 2.198 466 2HB TYR 67 1HB TYR 67 -4.315 11.873 1.308 467 HD1 TYR 67 HD1 TYR 67 -2.865 14.124 3.862 468 HD2 TYR 67 HD2 TYR 67 -3.706 10.146 2.719 469 HE1 TYR 67 HE1 TYR 67 -1.780 13.326 5.921 470 HE2 TYR 67 HE2 TYR 67 -2.627 9.311 4.767 471 HH TYR 67 HH TYR 67 -1.004 10.031 6.432 472 H GLU 68 H GLU 68 -3.321 11.581 -0.310 473 HA GLU 68 HA GLU 68 -4.608 12.780 -2.620 474 1HB GLU 68 2HB GLU 68 -2.073 13.106 -2.792 475 2HB GLU 68 1HB GLU 68 -1.964 11.361 -2.947 476 1HG GLU 68 2HG GLU 68 -3.140 11.387 -5.003 477 2HG GLU 68 1HG GLU 68 -3.572 13.089 -4.803 478 H TYR 69 H TYR 69 -5.428 11.112 -4.093 479 HA TYR 69 HA TYR 69 -5.855 8.612 -2.594 480 1HB TYR 69 2HB TYR 69 -7.786 10.255 -3.367 481 2HB TYR 69 1HB TYR 69 -7.597 9.393 -4.892 482 HD1 TYR 69 HD1 TYR 69 -7.605 8.418 -1.304 483 HD2 TYR 69 HD2 TYR 69 -9.221 7.752 -5.171 484 HE1 TYR 69 HE1 TYR 69 -9.013 6.649 -0.384 485 HE2 TYR 69 HE2 TYR 69 -10.639 5.950 -4.273 486 HH TYR 69 HH TYR 69 -10.839 5.326 -0.813 487 H TRP 70 H TRP 70 -5.165 6.745 -3.430 488 HA TRP 70 HA TRP 70 -4.327 6.765 -6.252 489 1HB TRP 70 2HB TRP 70 -2.909 5.624 -3.840 490 2HB TRP 70 1HB TRP 70 -2.499 5.170 -5.490 491 HD1 TRP 70 HD1 TRP 70 -3.301 8.795 -4.587 492 HE1 TRP 70 HE1 TRP 70 -1.183 10.171 -4.931 493 HE3 TRP 70 HE3 TRP 70 -0.081 5.169 -5.478 494 HZ2 TRP 70 HZ2 TRP 70 1.495 9.815 -5.479 495 HZ3 TRP 70 HZ3 TRP 70 2.299 5.667 -5.904 496 HH2 TRP 70 HH2 TRP 70 3.052 7.990 -5.910 497 H THR 71 H THR 71 -4.492 4.738 -7.346 498 HA THR 71 HA THR 71 -6.217 2.778 -5.987 499 HB THR 71 HB THR 71 -7.311 2.486 -8.306 500 HG1 THR 71 HG1 THR 71 -7.314 4.559 -9.461 501 1HG2 THR 71 1HG2 THR 71 -7.795 4.880 -6.542 502 2HG2 THR 71 2HG2 THR 71 -8.616 3.321 -6.504 503 3HG2 THR 71 3HG2 THR 71 -8.874 4.421 -7.856 504 H PHE 72 H PHE 72 -5.923 0.602 -6.622 505 HA PHE 72 HA PHE 72 -4.237 -0.011 -8.827 506 1HB PHE 72 2HB PHE 72 -2.344 -0.924 -7.743 507 2HB PHE 72 1HB PHE 72 -2.607 0.640 -6.986 508 HD1 PHE 72 HD1 PHE 72 -4.589 0.160 -4.957 509 HD2 PHE 72 HD2 PHE 72 -1.419 -2.355 -6.242 510 HE1 PHE 72 HE1 PHE 72 -4.571 -0.932 -2.750 511 HE2 PHE 72 HE2 PHE 72 -1.391 -3.449 -4.042 512 HZ PHE 72 HZ PHE 72 -2.971 -2.739 -2.292 513 H SER 73 H SER 73 -4.420 -2.077 -9.524 514 HA SER 73 HA SER 73 -5.995 -3.930 -7.860 515 1HB SER 73 2HB SER 73 -6.165 -3.604 -10.871 516 2HB SER 73 1HB SER 73 -7.076 -4.762 -9.902 517 HG SER 73 HG SER 73 -8.049 -2.976 -8.827 518 H ALA 74 H ALA 74 -5.416 -6.149 -8.042 519 HA ALA 74 HA ALA 74 -2.892 -6.662 -9.446 520 1HB ALA 74 1HB ALA 74 -3.090 -7.763 -6.716 521 2HB ALA 74 2HB ALA 74 -2.855 -6.024 -6.842 522 3HB ALA 74 3HB ALA 74 -1.693 -7.123 -7.593 523 H SER 75 H SER 75 -3.430 -8.297 -10.787 524 HA SER 75 HA SER 75 -5.071 -10.488 -9.903 525 1HB SER 75 2HB SER 75 -4.919 -9.854 -12.312 526 2HB SER 75 1HB SER 75 -3.220 -10.324 -12.305 527 HG SER 75 HG SER 75 -5.402 -11.865 -12.627 528 H VAL 76 H VAL 76 -4.252 -11.555 -8.198 529 HA VAL 76 HA VAL 76 -1.393 -12.243 -8.229 530 HB VAL 76 HB VAL 76 -1.671 -12.757 -5.816 531 1HG1 VAL 76 1HG1 VAL 76 -1.995 -10.408 -5.059 532 2HG1 VAL 76 2HG1 VAL 76 -2.502 -10.007 -6.695 533 3HG1 VAL 76 3HG1 VAL 76 -0.859 -10.575 -6.403 534 1HG2 VAL 76 1HG2 VAL 76 -3.679 -12.158 -4.635 535 2HG2 VAL 76 2HG2 VAL 76 -4.090 -13.280 -5.928 536 3HG2 VAL 76 3HG2 VAL 76 -4.421 -11.564 -6.119 537 H LYS 77 H LYS 77 -0.746 -14.357 -7.651 538 HA LYS 77 HA LYS 77 -2.754 -16.415 -8.228 539 1HB LYS 77 2HB LYS 77 -0.901 -17.925 -8.670 540 2HB LYS 77 1HB LYS 77 -0.724 -16.467 -9.629 541 1HG LYS 77 2HG LYS 77 0.737 -16.918 -7.038 542 2HG LYS 77 1HG LYS 77 1.381 -17.385 -8.611 543 1HD LYS 77 2HD LYS 77 1.174 -15.020 -9.339 544 2HD LYS 77 1HD LYS 77 0.659 -14.598 -7.706 545 1HE LYS 77 2HE LYS 77 3.012 -14.121 -7.974 546 2HE LYS 77 1HE LYS 77 2.798 -15.453 -6.839 547 1HZ LYS 77 1HZ LYS 77 3.443 -15.806 -9.713 548 2HZ LYS 77 2HZ LYS 77 3.413 -17.012 -8.523 549 3HZ LYS 77 3HZ LYS 77 4.600 -15.802 -8.473 550 H GLY 78 H GLY 78 -1.261 -14.891 -5.709 551 1HA GLY 78 2HA GLY 78 -2.429 -16.399 -3.710 552 2HA GLY 78 1HA GLY 78 -0.794 -17.022 -3.907 553 H ILE 79 H ILE 79 -2.215 -15.422 -1.758 554 HA ILE 79 HA ILE 79 0.082 -13.842 -1.083 555 HB ILE 79 HB ILE 79 -1.080 -12.198 -2.442 556 1HG1 ILE 79 2HG1 ILE 79 -1.224 -11.631 0.508 557 2HG1 ILE 79 1HG1 ILE 79 0.132 -11.317 -0.553 558 1HG2 ILE 79 1HG2 ILE 79 -3.307 -11.320 -1.579 559 2HG2 ILE 79 2HG2 ILE 79 -3.421 -12.833 -0.682 560 3HG2 ILE 79 3HG2 ILE 79 -3.330 -12.855 -2.444 561 1HD1 ILE 79 1HD1 ILE 79 -2.542 -9.952 -0.537 562 2HD1 ILE 79 2HD1 ILE 79 -1.318 -9.709 -1.778 563 3HD1 ILE 79 3HD1 ILE 79 -0.977 -9.261 -0.109 564 H LYS 80 H LYS 80 0.190 -13.451 1.083 565 HA LYS 80 HA LYS 80 -1.923 -14.765 2.666 566 1HB LYS 80 2HB LYS 80 1.051 -14.894 3.190 567 2HB LYS 80 1HB LYS 80 -0.209 -15.699 4.120 568 1HG LYS 80 2HG LYS 80 0.601 -16.268 1.275 569 2HG LYS 80 1HG LYS 80 0.837 -17.303 2.682 570 1HD LYS 80 2HD LYS 80 -1.824 -16.507 1.504 571 2HD LYS 80 1HD LYS 80 -1.030 -18.064 1.286 572 1HE LYS 80 2HE LYS 80 -1.146 -18.439 3.714 573 2HE LYS 80 1HE LYS 80 -1.996 -16.902 3.894 574 1HZ LYS 80 1HZ LYS 80 -2.945 -19.252 2.343 575 2HZ LYS 80 2HZ LYS 80 -3.759 -17.768 2.466 576 3HZ LYS 80 3HZ LYS 80 -3.553 -18.737 3.841 577 H GLU 81 H GLU 81 0.738 -12.435 2.778 578 HA GLU 81 HA GLU 81 -0.764 -10.782 4.627 579 1HB GLU 81 2HB GLU 81 0.776 -10.833 6.418 580 2HB GLU 81 1HB GLU 81 0.573 -12.520 5.965 581 1HG GLU 81 2HG GLU 81 2.647 -12.333 4.606 582 2HG GLU 81 1HG GLU 81 2.879 -10.723 5.282 583 H PHE 82 H PHE 82 0.380 -8.609 4.905 584 HA PHE 82 HA PHE 82 2.719 -8.130 3.386 585 1HB PHE 82 2HB PHE 82 1.854 -6.883 1.517 586 2HB PHE 82 1HB PHE 82 1.091 -8.465 1.522 587 HD1 PHE 82 HD1 PHE 82 0.599 -4.887 1.829 588 HD2 PHE 82 HD2 PHE 82 -1.283 -8.693 2.113 589 HE1 PHE 82 HE1 PHE 82 -1.602 -3.801 1.694 590 HE2 PHE 82 HE2 PHE 82 -3.490 -7.613 1.988 591 HZ PHE 82 HZ PHE 82 -3.649 -5.164 1.777 592 H TYR 83 H TYR 83 3.074 -5.777 2.988 593 HA TYR 83 HA TYR 83 1.512 -3.888 4.473 594 1HB TYR 83 2HB TYR 83 3.176 -3.126 5.995 595 2HB TYR 83 1HB TYR 83 3.123 -4.870 6.186 596 HD1 TYR 83 HD1 TYR 83 4.846 -5.718 3.896 597 HD2 TYR 83 HD2 TYR 83 5.294 -2.547 6.682 598 HE1 TYR 83 HE1 TYR 83 7.298 -5.798 3.596 599 HE2 TYR 83 HE2 TYR 83 7.727 -2.614 6.384 600 HH TYR 83 HH TYR 83 9.455 -4.189 5.657 601 H ILE 84 H ILE 84 2.228 -1.657 3.888 602 HA ILE 84 HA ILE 84 3.038 -1.835 1.092 603 HB ILE 84 HB ILE 84 1.951 0.626 2.428 604 1HG1 ILE 84 2HG1 ILE 84 0.507 -1.778 1.351 605 2HG1 ILE 84 1HG1 ILE 84 0.204 -0.882 2.834 606 1HG2 ILE 84 1HG2 ILE 84 1.222 1.128 0.106 607 2HG2 ILE 84 2HG2 ILE 84 2.096 -0.309 -0.430 608 3HG2 ILE 84 3HG2 ILE 84 2.973 1.038 0.298 609 1HD1 ILE 84 1HD1 ILE 84 -0.403 -0.022 0.027 610 2HD1 ILE 84 2HD1 ILE 84 -0.549 1.030 1.431 611 3HD1 ILE 84 3HD1 ILE 84 -1.562 -0.412 1.302 612 H LYS 85 H LYS 85 4.455 -0.453 0.120 613 HA LYS 85 HA LYS 85 6.568 0.658 1.847 614 1HB LYS 85 2HB LYS 85 6.557 -0.609 -0.862 615 2HB LYS 85 1HB LYS 85 7.753 0.631 -0.530 616 1HG LYS 85 2HG LYS 85 7.409 -1.758 1.242 617 2HG LYS 85 1HG LYS 85 8.436 -1.786 -0.192 618 1HD LYS 85 2HD LYS 85 9.568 0.278 0.780 619 2HD LYS 85 1HD LYS 85 8.726 -0.107 2.284 620 1HE LYS 85 2HE LYS 85 10.932 -1.053 2.366 621 2HE LYS 85 1HE LYS 85 9.758 -2.360 2.225 622 1HZ LYS 85 1HZ LYS 85 11.419 -1.242 0.030 623 2HZ LYS 85 2HZ LYS 85 10.232 -2.428 -0.175 624 3HZ LYS 85 3HZ LYS 85 11.608 -2.759 0.761 625 H TYR 86 H TYR 86 6.323 2.787 2.071 626 HA TYR 86 HA TYR 86 5.220 4.361 -0.122 627 1HB TYR 86 2HB TYR 86 4.481 4.800 2.218 628 2HB TYR 86 1HB TYR 86 6.130 5.268 2.620 629 HD1 TYR 86 HD1 TYR 86 4.113 6.077 -0.401 630 HD2 TYR 86 HD2 TYR 86 6.004 7.540 3.105 631 HE1 TYR 86 HE1 TYR 86 3.623 8.373 -1.098 632 HE2 TYR 86 HE2 TYR 86 5.519 9.848 2.410 633 HH TYR 86 HH TYR 86 3.310 10.650 0.134 634 H GLU 87 H GLU 87 6.670 4.692 -1.688 635 HA GLU 87 HA GLU 87 9.465 5.106 -0.918 636 1HB GLU 87 2HB GLU 87 8.734 3.144 -2.427 637 2HB GLU 87 1HB GLU 87 8.501 4.368 -3.669 638 1HG GLU 87 2HG GLU 87 10.817 5.004 -3.537 639 2HG GLU 87 1HG GLU 87 11.072 3.892 -2.195 640 H VAL 88 H VAL 88 10.017 7.145 -0.917 641 HA VAL 88 HA VAL 88 8.667 8.990 -2.768 642 HB VAL 88 HB VAL 88 10.158 9.697 -0.231 643 1HG1 VAL 88 1HG1 VAL 88 8.963 11.795 -0.356 644 2HG1 VAL 88 2HG1 VAL 88 8.094 11.247 -1.786 645 3HG1 VAL 88 3HG1 VAL 88 9.833 11.519 -1.863 646 1HG2 VAL 88 1HG2 VAL 88 7.215 9.174 -0.593 647 2HG2 VAL 88 2HG2 VAL 88 7.951 9.854 0.853 648 3HG2 VAL 88 3HG2 VAL 88 8.346 8.213 0.355 649 H SER 89 H SER 89 10.037 10.713 -3.644 650 HA SER 89 HA SER 89 12.604 9.742 -4.485 651 1HB SER 89 2HB SER 89 11.031 10.968 -5.969 652 2HB SER 89 1HB SER 89 11.327 12.426 -5.025 653 HG SER 89 HG SER 89 12.640 12.349 -6.885 654 H GLY 90 H GLY 90 12.236 10.171 -1.718 655 1HA GLY 90 2HA GLY 90 14.579 11.694 -1.113 656 2HA GLY 90 1HA GLY 90 13.097 12.435 -0.535 657 H LYS 91 H LYS 91 11.611 10.242 0.243 658 HA LYS 91 HA LYS 91 13.276 9.079 2.374 659 1HB LYS 91 2HB LYS 91 10.454 10.105 2.645 660 2HB LYS 91 1HB LYS 91 11.362 9.273 3.898 661 1HG LYS 91 2HG LYS 91 11.855 11.989 2.753 662 2HG LYS 91 1HG LYS 91 11.413 11.534 4.393 663 1HD LYS 91 2HD LYS 91 14.009 10.757 3.091 664 2HD LYS 91 1HD LYS 91 13.809 12.185 4.107 665 1HE LYS 91 2HE LYS 91 13.155 10.781 5.982 666 2HE LYS 91 1HE LYS 91 13.283 9.342 4.969 667 1HZ LYS 91 1HZ LYS 91 15.509 11.169 5.699 668 2HZ LYS 91 2HZ LYS 91 15.649 9.815 4.686 669 3HZ LYS 91 3HZ LYS 91 15.249 9.613 6.325 670 H THR 92 H THR 92 11.673 7.541 3.650 671 HA THR 92 HA THR 92 9.944 5.974 1.917 672 HB THR 92 HB THR 92 12.134 4.509 3.371 673 HG1 THR 92 HG1 THR 92 12.128 5.696 0.833 674 1HG2 THR 92 1HG2 THR 92 10.105 3.206 2.874 675 2HG2 THR 92 2HG2 THR 92 11.481 2.646 1.917 676 3HG2 THR 92 3HG2 THR 92 10.247 3.660 1.169 677 H TYR 93 H TYR 93 8.383 4.952 3.032 678 HA TYR 93 HA TYR 93 8.586 4.610 5.917 679 1HB TYR 93 2HB TYR 93 6.177 6.002 4.711 680 2HB TYR 93 1HB TYR 93 6.486 5.703 6.413 681 HD1 TYR 93 HD1 TYR 93 6.996 7.879 3.650 682 HD2 TYR 93 HD2 TYR 93 8.293 6.994 7.581 683 HE1 TYR 93 HE1 TYR 93 8.007 10.130 3.806 684 HE2 TYR 93 HE2 TYR 93 9.305 9.230 7.773 685 HH TYR 93 HH TYR 93 8.716 11.729 5.473 686 H TYR 94 H TYR 94 5.886 3.878 6.281 687 HA TYR 94 HA TYR 94 5.484 1.625 4.469 688 1HB TYR 94 2HB TYR 94 5.921 1.330 7.448 689 2HB TYR 94 1HB TYR 94 5.276 0.070 6.415 690 HD1 TYR 94 HD1 TYR 94 6.961 -0.296 4.225 691 HD2 TYR 94 HD2 TYR 94 8.061 1.008 8.120 692 HE1 TYR 94 HE1 TYR 94 9.194 -1.272 3.908 693 HE2 TYR 94 HE2 TYR 94 10.316 0.090 7.798 694 HH TYR 94 HH TYR 94 11.540 -0.862 4.835 695 H ASP 95 H ASP 95 3.401 0.659 4.671 696 HA ASP 95 HA ASP 95 1.661 1.744 6.784 697 1HB ASP 95 2HB ASP 95 0.755 2.527 4.648 698 2HB ASP 95 1HB ASP 95 0.774 0.883 4.017 699 H ASN 96 H ASN 96 1.204 0.231 8.209 700 HA ASN 96 HA ASN 96 1.117 -2.577 7.435 701 1HB ASN 96 2HB ASN 96 3.498 -2.147 7.815 702 2HB ASN 96 1HB ASN 96 3.147 -1.433 9.378 703 1HD2 ASN 96 1HD2 ASN 96 4.888 -3.648 8.659 704 2HD2 ASN 96 2HD2 ASN 96 4.342 -5.017 9.575 705 H ASN 97 H ASN 97 1.521 -0.611 10.324 706 HA ASN 97 HA ASN 97 -0.758 -0.554 11.677 707 1HB ASN 97 2HB ASN 97 -0.075 -3.344 11.337 708 2HB ASN 97 1HB ASN 97 0.033 -2.927 13.041 709 1HD2 ASN 97 1HD2 ASN 97 -2.001 -3.285 10.298 710 2HD2 ASN 97 2HD2 ASN 97 -3.526 -3.152 11.136 711 H ASN 98 H ASN 98 2.211 -2.294 12.178 712 HA ASN 98 HA ASN 98 3.793 -0.332 13.293 713 1HB ASN 98 2HB ASN 98 2.219 -0.405 15.231 714 2HB ASN 98 1HB ASN 98 2.555 -2.124 15.411 715 1HD2 ASN 98 1HD2 ASN 98 3.332 -1.833 17.493 716 2HD2 ASN 98 2HD2 ASN 98 4.876 -1.115 17.807 717 H SER 99 H SER 99 2.846 -3.694 13.821 718 HA SER 99 HA SER 99 4.820 -4.686 12.056 719 1HB SER 99 2HB SER 99 6.252 -4.230 14.081 720 2HB SER 99 1HB SER 99 5.265 -5.386 14.974 721 HG SER 99 HG SER 99 6.404 -6.916 14.129 722 H ALA 100 H ALA 100 2.498 -5.180 11.510 723 HA ALA 100 HA ALA 100 1.575 -7.625 12.874 724 1HB ALA 100 1HB ALA 100 -0.741 -6.843 12.543 725 2HB ALA 100 2HB ALA 100 -0.119 -5.328 11.886 726 3HB ALA 100 3HB ALA 100 0.194 -5.755 13.570 727 H ASN 101 H ASN 101 1.471 -5.690 9.908 728 HA ASN 101 HA ASN 101 1.279 -6.240 7.703 729 1HB ASN 101 2HB ASN 101 1.691 -9.072 8.663 730 2HB ASN 101 1HB ASN 101 1.565 -8.606 6.971 731 1HD2 ASN 101 1HD2 ASN 101 3.780 -9.895 8.154 732 2HD2 ASN 101 2HD2 ASN 101 5.131 -8.810 8.052 733 H TYR 102 H TYR 102 -0.368 -6.640 6.288 734 HA TYR 102 HA TYR 102 -2.945 -7.126 7.489 735 1HB TYR 102 2HB TYR 102 -2.139 -6.594 4.619 736 2HB TYR 102 1HB TYR 102 -3.802 -6.714 5.182 737 HD1 TYR 102 HD1 TYR 102 -0.813 -4.622 5.056 738 HD2 TYR 102 HD2 TYR 102 -4.763 -4.967 6.600 739 HE1 TYR 102 HE1 TYR 102 -0.805 -2.226 5.594 740 HE2 TYR 102 HE2 TYR 102 -4.764 -2.571 7.149 741 HH TYR 102 HH TYR 102 -2.338 -0.412 6.006 742 H GLN 103 H GLN 103 -3.555 -9.133 7.906 743 HA GLN 103 HA GLN 103 -2.559 -11.380 6.387 744 1HB GLN 103 2HB GLN 103 -3.973 -10.971 8.896 745 2HB GLN 103 1HB GLN 103 -4.674 -12.285 7.964 746 1HG GLN 103 2HG GLN 103 -3.112 -13.334 9.306 747 2HG GLN 103 1HG GLN 103 -2.281 -13.169 7.763 748 1HE2 GLN 103 1HE2 GLN 103 -1.754 -10.308 8.174 749 2HE2 GLN 103 2HE2 GLN 103 -0.490 -10.228 9.354 750 H VAL 104 H VAL 104 -3.359 -11.800 4.441 751 HA VAL 104 HA VAL 104 -5.967 -10.844 3.669 752 HB VAL 104 HB VAL 104 -4.106 -12.616 2.082 753 1HG1 VAL 104 1HG1 VAL 104 -6.447 -12.500 1.314 754 2HG1 VAL 104 2HG1 VAL 104 -5.325 -11.788 0.163 755 3HG1 VAL 104 3HG1 VAL 104 -6.300 -10.749 1.194 756 1HG2 VAL 104 1HG2 VAL 104 -4.277 -9.603 2.088 757 2HG2 VAL 104 2HG2 VAL 104 -3.251 -10.588 1.043 758 3HG2 VAL 104 3HG2 VAL 104 -2.966 -10.555 2.783 759 H SER 105 H SER 105 -7.746 -12.075 3.152 760 HA SER 105 HA SER 105 -7.841 -14.619 4.584 761 1HB SER 105 2HB SER 105 -9.548 -12.771 4.952 762 2HB SER 105 1HB SER 105 -10.156 -13.128 3.335 763 HG SER 105 HG SER 105 -10.182 -14.753 5.646 764 H THR 106 H THR 106 -7.283 -16.329 3.414 765 HA THR 106 HA THR 106 -7.662 -16.271 0.521 766 HB THR 106 HB THR 106 -6.328 -18.510 2.024 767 HG1 THR 106 HG1 THR 106 -5.578 -15.915 2.069 768 1HG2 THR 106 1HG2 THR 106 -5.860 -17.247 -0.685 769 2HG2 THR 106 2HG2 THR 106 -6.686 -18.777 -0.381 770 3HG2 THR 106 3HG2 THR 106 -4.966 -18.617 -0.022 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -9.361 18.438 13.051 2 2H ALA 1 2H ALA 1 -10.915 17.919 13.486 3 3H ALA 1 3H ALA 1 -10.465 17.974 11.850 4 HA ALA 1 HA ALA 1 -9.234 16.230 13.901 5 1HB ALA 1 1HB ALA 1 -11.410 15.399 13.542 6 2HB ALA 1 2HB ALA 1 -10.339 14.397 12.565 7 3HB ALA 1 3HB ALA 1 -11.310 15.658 11.803 8 H SER 2 H SER 2 -7.746 14.744 13.060 9 HA SER 2 HA SER 2 -6.335 15.825 10.738 10 1HB SER 2 2HB SER 2 -4.432 14.418 11.611 11 2HB SER 2 1HB SER 2 -4.968 15.702 12.691 12 HG SER 2 HG SER 2 -4.637 13.320 13.416 13 H ILE 3 H ILE 3 -6.245 14.810 8.882 14 HA ILE 3 HA ILE 3 -7.567 12.407 8.302 15 HB ILE 3 HB ILE 3 -5.302 13.623 6.716 16 1HG1 ILE 3 2HG1 ILE 3 -6.980 15.325 7.124 17 2HG1 ILE 3 1HG1 ILE 3 -7.086 14.790 5.450 18 1HG2 ILE 3 1HG2 ILE 3 -5.866 11.381 6.003 19 2HG2 ILE 3 2HG2 ILE 3 -6.408 12.552 4.801 20 3HG2 ILE 3 3HG2 ILE 3 -7.572 11.816 5.903 21 1HD1 ILE 3 1HD1 ILE 3 -9.042 13.505 5.923 22 2HD1 ILE 3 2HD1 ILE 3 -9.269 15.136 6.559 23 3HD1 ILE 3 3HD1 ILE 3 -8.881 13.809 7.652 24 HA PRO 4 HA PRO 4 -3.048 10.364 8.443 25 1HB PRO 4 2HB PRO 4 -1.966 12.130 10.580 26 2HB PRO 4 1HB PRO 4 -1.134 11.369 9.220 27 1HG PRO 4 2HG PRO 4 -1.685 13.971 9.183 28 2HG PRO 4 1HG PRO 4 -1.831 12.987 7.715 29 1HD PRO 4 2HD PRO 4 -3.968 14.034 9.518 30 2HD PRO 4 1HD PRO 4 -3.965 13.857 7.752 31 H SER 5 H SER 5 -2.923 8.619 9.754 32 HA SER 5 HA SER 5 -4.075 8.837 12.442 33 1HB SER 5 2HB SER 5 -5.716 7.875 10.780 34 2HB SER 5 1HB SER 5 -4.611 6.519 10.570 35 HG SER 5 HG SER 5 -6.426 6.953 12.502 36 H SER 6 H SER 6 -2.609 6.302 10.399 37 HA SER 6 HA SER 6 -0.970 5.480 12.645 38 1HB SER 6 2HB SER 6 -2.085 3.758 11.277 39 2HB SER 6 1HB SER 6 -1.192 4.308 9.858 40 HG SER 6 HG SER 6 -0.395 2.437 11.276 41 H ALA 7 H ALA 7 -0.206 5.992 9.187 42 HA ALA 7 HA ALA 7 2.194 7.462 10.016 43 1HB ALA 7 1HB ALA 7 3.421 6.291 8.228 44 2HB ALA 7 2HB ALA 7 2.010 5.281 7.940 45 3HB ALA 7 3HB ALA 7 2.857 5.198 9.485 46 H SER 8 H SER 8 3.136 7.831 7.356 47 HA SER 8 HA SER 8 1.641 10.051 6.491 48 1HB SER 8 2HB SER 8 3.672 8.390 4.970 49 2HB SER 8 1HB SER 8 3.117 9.998 4.504 50 HG SER 8 HG SER 8 3.865 10.535 6.789 51 H VAL 9 H VAL 9 1.630 6.679 5.690 52 HA VAL 9 HA VAL 9 -0.560 7.151 3.830 53 HB VAL 9 HB VAL 9 1.113 6.241 2.503 54 1HG1 VAL 9 1HG1 VAL 9 2.432 4.279 3.159 55 2HG1 VAL 9 2HG1 VAL 9 1.750 4.387 4.778 56 3HG1 VAL 9 3HG1 VAL 9 2.749 5.699 4.144 57 1HG2 VAL 9 1HG2 VAL 9 0.356 4.115 1.822 58 2HG2 VAL 9 2HG2 VAL 9 -1.050 4.973 2.457 59 3HG2 VAL 9 3HG2 VAL 9 -0.260 3.740 3.432 60 H GLN 10 H GLN 10 -2.272 5.738 3.842 61 HA GLN 10 HA GLN 10 -2.571 3.898 6.085 62 1HB GLN 10 2HB GLN 10 -3.326 6.074 6.948 63 2HB GLN 10 1HB GLN 10 -4.390 6.265 5.564 64 1HG GLN 10 2HG GLN 10 -5.691 4.332 6.307 65 2HG GLN 10 1HG GLN 10 -4.631 4.171 7.709 66 1HE2 GLN 10 1HE2 GLN 10 -5.559 7.265 6.403 67 2HE2 GLN 10 2HE2 GLN 10 -6.574 7.739 7.718 68 H LEU 11 H LEU 11 -3.494 2.084 5.277 69 HA LEU 11 HA LEU 11 -4.472 1.977 2.623 70 1HB LEU 11 2HB LEU 11 -3.526 0.015 3.674 71 2HB LEU 11 1HB LEU 11 -4.777 0.034 4.905 72 HG LEU 11 HG LEU 11 -6.429 -0.236 2.921 73 1HD1 LEU 11 1HD1 LEU 11 -3.836 -1.095 1.643 74 2HD1 LEU 11 2HD1 LEU 11 -4.930 0.179 1.104 75 3HD1 LEU 11 3HD1 LEU 11 -5.439 -1.509 1.037 76 1HD2 LEU 11 1HD2 LEU 11 -4.671 -2.603 3.482 77 2HD2 LEU 11 2HD2 LEU 11 -6.420 -2.547 3.246 78 3HD2 LEU 11 3HD2 LEU 11 -5.707 -1.903 4.723 79 H ASP 12 H ASP 12 -6.412 2.284 1.806 80 HA ASP 12 HA ASP 12 -8.609 3.090 3.485 81 1HB ASP 12 2HB ASP 12 -8.134 4.116 1.248 82 2HB ASP 12 1HB ASP 12 -8.596 2.601 0.499 83 H SER 13 H SER 13 -8.212 0.630 0.966 84 HA SER 13 HA SER 13 -9.298 -1.507 2.445 85 1HB SER 13 2HB SER 13 -11.504 -1.686 1.183 86 2HB SER 13 1HB SER 13 -11.417 -0.425 2.412 87 HG SER 13 HG SER 13 -11.210 1.114 0.841 88 H TYR 14 H TYR 14 -9.673 -3.423 1.199 89 HA TYR 14 HA TYR 14 -9.019 -3.456 -1.622 90 1HB TYR 14 2HB TYR 14 -7.186 -5.061 -1.390 91 2HB TYR 14 1HB TYR 14 -6.788 -3.560 -0.568 92 HD1 TYR 14 HD1 TYR 14 -8.163 -6.954 0.107 93 HD2 TYR 14 HD2 TYR 14 -5.996 -3.632 1.608 94 HE1 TYR 14 HE1 TYR 14 -7.638 -8.227 2.126 95 HE2 TYR 14 HE2 TYR 14 -5.480 -4.891 3.662 96 HH TYR 14 HH TYR 14 -6.462 -6.817 4.939 97 H ASN 15 H ASN 15 -9.338 -5.683 -2.499 98 HA ASN 15 HA ASN 15 -11.285 -7.186 -0.869 99 1HB ASN 15 2HB ASN 15 -11.561 -6.442 -3.792 100 2HB ASN 15 1HB ASN 15 -12.631 -7.539 -2.932 101 1HD2 ASN 15 1HD2 ASN 15 -13.189 -5.046 -4.318 102 2HD2 ASN 15 2HD2 ASN 15 -13.962 -4.024 -3.150 103 H TYR 16 H TYR 16 -11.721 -9.375 -1.767 104 HA TYR 16 HA TYR 16 -9.597 -10.486 -3.422 105 1HB TYR 16 2HB TYR 16 -8.883 -10.663 -0.994 106 2HB TYR 16 1HB TYR 16 -10.282 -11.699 -0.748 107 HD1 TYR 16 HD1 TYR 16 -7.062 -11.430 -2.528 108 HD2 TYR 16 HD2 TYR 16 -10.249 -13.987 -1.353 109 HE1 TYR 16 HE1 TYR 16 -5.752 -13.377 -3.239 110 HE2 TYR 16 HE2 TYR 16 -8.943 -15.948 -2.058 111 HH TYR 16 HH TYR 16 -7.112 -16.479 -3.579 112 H ASP 17 H ASP 17 -10.129 -12.486 -4.323 113 HA ASP 17 HA ASP 17 -12.337 -14.075 -3.735 114 1HB ASP 17 2HB ASP 17 -13.887 -13.599 -5.548 115 2HB ASP 17 1HB ASP 17 -13.666 -12.143 -4.588 116 H GLY 18 H GLY 18 -11.983 -16.029 -4.663 117 1HA GLY 18 2HA GLY 18 -10.798 -17.640 -5.812 118 2HA GLY 18 1HA GLY 18 -10.748 -16.499 -7.155 119 H SER 19 H SER 19 -8.806 -15.664 -7.695 120 HA SER 19 HA SER 19 -6.990 -15.048 -5.478 121 1HB SER 19 2HB SER 19 -6.132 -16.073 -8.197 122 2HB SER 19 1HB SER 19 -5.054 -15.620 -6.874 123 HG SER 19 HG SER 19 -7.020 -17.550 -6.387 124 H THR 20 H THR 20 -7.941 -13.006 -5.562 125 HA THR 20 HA THR 20 -6.901 -11.278 -7.665 126 HB THR 20 HB THR 20 -9.771 -10.997 -6.763 127 HG1 THR 20 HG1 THR 20 -9.774 -12.912 -7.887 128 1HG2 THR 20 1HG2 THR 20 -8.537 -9.039 -7.725 129 2HG2 THR 20 2HG2 THR 20 -9.972 -9.516 -8.633 130 3HG2 THR 20 3HG2 THR 20 -8.369 -9.958 -9.222 131 H PHE 21 H PHE 21 -6.085 -9.431 -6.784 132 HA PHE 21 HA PHE 21 -7.074 -8.643 -4.126 133 1HB PHE 21 2HB PHE 21 -4.706 -9.931 -4.375 134 2HB PHE 21 1HB PHE 21 -4.180 -8.267 -4.615 135 HD1 PHE 21 HD1 PHE 21 -3.712 -6.973 -2.779 136 HD2 PHE 21 HD2 PHE 21 -6.226 -10.355 -2.324 137 HE1 PHE 21 HE1 PHE 21 -3.762 -6.593 -0.362 138 HE2 PHE 21 HE2 PHE 21 -6.264 -10.004 0.106 139 HZ PHE 21 HZ PHE 21 -5.028 -8.118 1.093 140 H SER 22 H SER 22 -8.039 -6.866 -4.588 141 HA SER 22 HA SER 22 -6.644 -4.801 -6.135 142 1HB SER 22 2HB SER 22 -9.559 -5.545 -6.524 143 2HB SER 22 1HB SER 22 -8.663 -4.293 -7.401 144 HG SER 22 HG SER 22 -8.192 -7.097 -7.468 145 H GLY 23 H GLY 23 -7.548 -2.629 -5.761 146 1HA GLY 23 2HA GLY 23 -9.507 -1.869 -4.037 147 2HA GLY 23 1HA GLY 23 -8.169 -2.281 -2.972 148 H LYS 24 H LYS 24 -7.706 -0.229 -2.253 149 HA LYS 24 HA LYS 24 -6.108 1.336 -4.028 150 1HB LYS 24 2HB LYS 24 -7.378 3.396 -3.953 151 2HB LYS 24 1HB LYS 24 -8.304 2.118 -4.732 152 1HG LYS 24 2HG LYS 24 -8.681 2.722 -1.816 153 2HG LYS 24 1HG LYS 24 -9.458 3.724 -3.046 154 1HD LYS 24 2HD LYS 24 -10.524 1.705 -3.974 155 2HD LYS 24 1HD LYS 24 -9.776 0.745 -2.694 156 1HE LYS 24 2HE LYS 24 -10.957 2.050 -1.010 157 2HE LYS 24 1HE LYS 24 -11.683 3.041 -2.273 158 1HZ LYS 24 1HZ LYS 24 -12.098 0.118 -1.947 159 2HZ LYS 24 2HZ LYS 24 -12.843 1.114 -3.103 160 3HZ LYS 24 3HZ LYS 24 -13.183 1.322 -1.461 161 H ILE 25 H ILE 25 -5.203 3.246 -2.949 162 HA ILE 25 HA ILE 25 -4.867 2.710 -0.069 163 HB ILE 25 HB ILE 25 -2.663 3.607 -1.929 164 1HG1 ILE 25 2HG1 ILE 25 -3.243 0.800 -0.944 165 2HG1 ILE 25 1HG1 ILE 25 -3.481 1.366 -2.594 166 1HG2 ILE 25 1HG2 ILE 25 -2.356 4.117 0.454 167 2HG2 ILE 25 2HG2 ILE 25 -1.193 2.915 -0.105 168 3HG2 ILE 25 3HG2 ILE 25 -2.590 2.411 0.846 169 1HD1 ILE 25 1HD1 ILE 25 -0.845 1.211 -1.152 170 2HD1 ILE 25 2HD1 ILE 25 -1.090 1.750 -2.814 171 3HD1 ILE 25 3HD1 ILE 25 -1.431 0.078 -2.369 172 H TYR 26 H TYR 26 -4.099 4.551 1.168 173 HA TYR 26 HA TYR 26 -5.010 7.133 0.065 174 1HB TYR 26 2HB TYR 26 -6.650 5.790 1.528 175 2HB TYR 26 1HB TYR 26 -5.546 6.113 2.858 176 HD1 TYR 26 HD1 TYR 26 -4.984 8.633 3.235 177 HD2 TYR 26 HD2 TYR 26 -8.412 7.216 1.165 178 HE1 TYR 26 HE1 TYR 26 -6.159 10.751 3.723 179 HE2 TYR 26 HE2 TYR 26 -9.589 9.327 1.624 180 HH TYR 26 HH TYR 26 -9.504 11.167 3.224 181 H VAL 27 H VAL 27 -3.042 8.305 0.039 182 HA VAL 27 HA VAL 27 -1.451 8.190 2.490 183 HB VAL 27 HB VAL 27 0.338 7.179 1.653 184 1HG1 VAL 27 1HG1 VAL 27 0.133 5.894 -0.433 185 2HG1 VAL 27 2HG1 VAL 27 -1.358 6.764 -0.797 186 3HG1 VAL 27 3HG1 VAL 27 -1.268 5.725 0.626 187 1HG2 VAL 27 1HG2 VAL 27 1.222 9.148 0.672 188 2HG2 VAL 27 2HG2 VAL 27 0.133 9.035 -0.706 189 3HG2 VAL 27 3HG2 VAL 27 1.425 7.850 -0.508 190 H LYS 28 H LYS 28 -0.226 9.945 3.006 191 HA LYS 28 HA LYS 28 -1.043 12.460 1.994 192 1HB LYS 28 2HB LYS 28 -0.302 12.109 4.328 193 2HB LYS 28 1HB LYS 28 1.322 11.758 3.751 194 1HG LYS 28 2HG LYS 28 1.405 14.055 2.793 195 2HG LYS 28 1HG LYS 28 -0.143 14.379 3.572 196 1HD LYS 28 2HD LYS 28 2.389 13.560 4.997 197 2HD LYS 28 1HD LYS 28 1.773 15.208 4.882 198 1HE LYS 28 2HE LYS 28 -0.318 14.408 6.013 199 2HE LYS 28 1HE LYS 28 0.492 12.862 6.276 200 1HZ LYS 28 1HZ LYS 28 0.681 14.295 8.216 201 2HZ LYS 28 2HZ LYS 28 1.415 15.501 7.281 202 3HZ LYS 28 3HZ LYS 28 2.209 14.028 7.532 203 H ASN 29 H ASN 29 -0.150 13.731 0.453 204 HA ASN 29 HA ASN 29 2.160 12.632 -0.947 205 1HB ASN 29 2HB ASN 29 1.605 14.195 -2.775 206 2HB ASN 29 1HB ASN 29 0.267 13.121 -2.378 207 1HD2 ASN 29 1HD2 ASN 29 0.230 15.636 -3.781 208 2HD2 ASN 29 2HD2 ASN 29 -0.816 16.688 -2.892 209 H ILE 30 H ILE 30 3.694 13.182 0.594 210 HA ILE 30 HA ILE 30 4.260 15.817 1.454 211 HB ILE 30 HB ILE 30 6.036 13.380 1.184 212 1HG1 ILE 30 2HG1 ILE 30 6.001 13.704 3.771 213 2HG1 ILE 30 1HG1 ILE 30 4.576 14.689 3.459 214 1HG2 ILE 30 1HG2 ILE 30 6.760 16.030 2.423 215 2HG2 ILE 30 2HG2 ILE 30 7.419 15.364 0.928 216 3HG2 ILE 30 3HG2 ILE 30 7.738 14.563 2.466 217 1HD1 ILE 30 1HD1 ILE 30 4.889 11.815 2.628 218 2HD1 ILE 30 2HD1 ILE 30 3.439 12.809 2.481 219 3HD1 ILE 30 3HD1 ILE 30 4.049 12.369 4.075 220 H ALA 31 H ALA 31 5.545 13.805 -1.125 221 HA ALA 31 HA ALA 31 6.272 16.216 -2.612 222 1HB ALA 31 1HB ALA 31 8.213 14.787 -2.206 223 2HB ALA 31 2HB ALA 31 7.791 14.776 -3.919 224 3HB ALA 31 3HB ALA 31 7.355 13.408 -2.895 225 H TYR 32 H TYR 32 6.215 15.317 -5.155 226 HA TYR 32 HA TYR 32 3.423 14.437 -5.371 227 1HB TYR 32 2HB TYR 32 4.074 16.756 -6.088 228 2HB TYR 32 1HB TYR 32 4.968 16.019 -7.419 229 HD1 TYR 32 HD1 TYR 32 1.597 15.439 -5.908 230 HD2 TYR 32 HD2 TYR 32 3.842 16.290 -9.418 231 HE1 TYR 32 HE1 TYR 32 -0.476 15.420 -7.229 232 HE2 TYR 32 HE2 TYR 32 1.777 16.267 -10.752 233 HH TYR 32 HH TYR 32 -0.474 15.378 -10.651 234 H SER 33 H SER 33 6.460 14.333 -7.251 235 HA SER 33 HA SER 33 5.656 11.963 -8.645 236 1HB SER 33 2HB SER 33 8.451 13.109 -8.398 237 2HB SER 33 1HB SER 33 7.827 12.049 -9.676 238 HG SER 33 HG SER 33 7.367 13.849 -10.667 239 H LYS 34 H LYS 34 5.094 10.799 -6.649 240 HA LYS 34 HA LYS 34 7.377 9.635 -5.225 241 1HB LYS 34 2HB LYS 34 4.422 9.416 -4.635 242 2HB LYS 34 1HB LYS 34 5.742 8.948 -3.578 243 1HG LYS 34 2HG LYS 34 6.367 11.213 -3.236 244 2HG LYS 34 1HG LYS 34 5.266 11.750 -4.506 245 1HD LYS 34 2HD LYS 34 4.455 10.462 -1.904 246 2HD LYS 34 1HD LYS 34 4.349 12.180 -2.289 247 1HE LYS 34 2HE LYS 34 2.897 9.967 -3.731 248 2HE LYS 34 1HE LYS 34 2.188 11.051 -2.537 249 1HZ LYS 34 1HZ LYS 34 1.687 11.759 -4.798 250 2HZ LYS 34 2HZ LYS 34 3.341 11.886 -5.143 251 3HZ LYS 34 3HZ LYS 34 2.640 12.916 -4.001 252 H LYS 35 H LYS 35 6.455 7.216 -4.466 253 HA LYS 35 HA LYS 35 5.193 5.878 -6.699 254 1HB LYS 35 2HB LYS 35 6.955 4.203 -6.990 255 2HB LYS 35 1HB LYS 35 7.554 5.808 -7.378 256 1HG LYS 35 2HG LYS 35 8.770 5.938 -5.342 257 2HG LYS 35 1HG LYS 35 7.985 4.486 -4.719 258 1HD LYS 35 2HD LYS 35 10.260 4.010 -5.468 259 2HD LYS 35 1HD LYS 35 9.072 3.143 -6.442 260 1HE LYS 35 2HE LYS 35 9.264 4.897 -8.171 261 2HE LYS 35 1HE LYS 35 10.511 5.682 -7.202 262 1HZ LYS 35 1HZ LYS 35 11.464 4.296 -8.933 263 2HZ LYS 35 2HZ LYS 35 10.671 2.933 -8.317 264 3HZ LYS 35 3HZ LYS 35 11.872 3.700 -7.401 265 H VAL 36 H VAL 36 4.258 3.923 -6.103 266 HA VAL 36 HA VAL 36 4.480 3.324 -3.237 267 HB VAL 36 HB VAL 36 1.989 3.775 -4.842 268 1HG1 VAL 36 1HG1 VAL 36 0.672 2.622 -3.205 269 2HG1 VAL 36 2HG1 VAL 36 2.106 2.253 -2.274 270 3HG1 VAL 36 3HG1 VAL 36 1.865 1.489 -3.838 271 1HG2 VAL 36 1HG2 VAL 36 2.844 5.591 -3.486 272 2HG2 VAL 36 2HG2 VAL 36 2.901 4.541 -2.071 273 3HG2 VAL 36 3HG2 VAL 36 1.347 4.975 -2.786 274 H THR 37 H THR 37 5.052 1.366 -2.856 275 HA THR 37 HA THR 37 4.647 -0.649 -4.949 276 HB THR 37 HB THR 37 6.737 -1.714 -3.791 277 HG1 THR 37 HG1 THR 37 6.546 0.647 -2.499 278 1HG2 THR 37 1HG2 THR 37 6.575 0.526 -5.739 279 2HG2 THR 37 2HG2 THR 37 7.047 -1.155 -5.996 280 3HG2 THR 37 3HG2 THR 37 8.166 -0.031 -5.223 281 H VAL 38 H VAL 38 3.091 -1.962 -4.374 282 HA VAL 38 HA VAL 38 2.560 -2.615 -1.593 283 HB VAL 38 HB VAL 38 1.306 -3.682 -4.134 284 1HG1 VAL 38 1HG1 VAL 38 -0.356 -4.723 -2.732 285 2HG1 VAL 38 2HG1 VAL 38 0.393 -4.081 -1.281 286 3HG1 VAL 38 3HG1 VAL 38 1.236 -5.292 -2.248 287 1HG2 VAL 38 1HG2 VAL 38 -0.207 -2.082 -2.189 288 2HG2 VAL 38 2HG2 VAL 38 -0.324 -2.121 -3.945 289 3HG2 VAL 38 3HG2 VAL 38 0.976 -1.215 -3.163 290 H VAL 39 H VAL 39 3.943 -4.012 -0.653 291 HA VAL 39 HA VAL 39 4.767 -6.317 -2.291 292 HB VAL 39 HB VAL 39 6.632 -6.667 -0.690 293 1HG1 VAL 39 1HG1 VAL 39 6.457 -4.072 -2.185 294 2HG1 VAL 39 2HG1 VAL 39 7.169 -5.592 -2.722 295 3HG1 VAL 39 3HG1 VAL 39 7.950 -4.651 -1.451 296 1HG2 VAL 39 1HG2 VAL 39 7.279 -4.843 0.806 297 2HG2 VAL 39 2HG2 VAL 39 5.711 -5.518 1.249 298 3HG2 VAL 39 3HG2 VAL 39 5.798 -3.979 0.391 299 H TYR 40 H TYR 40 3.897 -8.172 -1.859 300 HA TYR 40 HA TYR 40 2.784 -8.538 0.832 301 1HB TYR 40 2HB TYR 40 1.045 -9.975 -0.107 302 2HB TYR 40 1HB TYR 40 0.951 -8.327 -0.692 303 HD1 TYR 40 HD1 TYR 40 0.551 -8.010 -2.880 304 HD2 TYR 40 HD2 TYR 40 2.360 -11.647 -1.732 305 HE1 TYR 40 HE1 TYR 40 0.326 -8.825 -5.177 306 HE2 TYR 40 HE2 TYR 40 2.168 -12.480 -4.038 307 HH TYR 40 HH TYR 40 1.416 -10.488 -6.667 308 H ALA 41 H ALA 41 2.933 -10.477 1.817 309 HA ALA 41 HA ALA 41 4.980 -12.280 0.848 310 1HB ALA 41 1HB ALA 41 4.838 -13.335 2.943 311 2HB ALA 41 2HB ALA 41 3.188 -12.806 3.211 312 3HB ALA 41 3HB ALA 41 4.514 -11.650 3.328 313 H ASP 42 H ASP 42 4.056 -12.680 -0.959 314 HA ASP 42 HA ASP 42 1.627 -13.659 -1.752 315 1HB ASP 42 2HB ASP 42 2.663 -14.518 -3.689 316 2HB ASP 42 1HB ASP 42 3.685 -13.183 -3.173 317 H GLY 43 H GLY 43 1.815 -16.139 -2.924 318 1HA GLY 43 2HA GLY 43 0.949 -17.907 -0.945 319 2HA GLY 43 1HA GLY 43 1.440 -18.371 -2.566 320 H SER 44 H SER 44 4.178 -17.183 -1.985 321 HA SER 44 HA SER 44 5.468 -19.505 -1.029 322 1HB SER 44 2HB SER 44 6.510 -17.797 -2.518 323 2HB SER 44 1HB SER 44 6.550 -16.686 -1.151 324 HG SER 44 HG SER 44 7.772 -19.249 -1.106 325 H ASP 45 H ASP 45 4.030 -16.814 0.527 326 HA ASP 45 HA ASP 45 3.491 -16.443 2.703 327 1HB ASP 45 2HB ASP 45 3.329 -18.940 2.865 328 2HB ASP 45 1HB ASP 45 5.016 -18.975 3.360 329 H ASN 46 H ASN 46 6.021 -15.617 1.356 330 HA ASN 46 HA ASN 46 7.314 -14.393 3.577 331 1HB ASN 46 2HB ASN 46 8.237 -16.674 3.802 332 2HB ASN 46 1HB ASN 46 8.835 -16.576 2.149 333 1HD2 ASN 46 1HD2 ASN 46 10.956 -16.855 2.754 334 2HD2 ASN 46 2HD2 ASN 46 11.865 -15.628 3.574 335 H TRP 47 H TRP 47 8.733 -12.800 2.976 336 HA TRP 47 HA TRP 47 8.837 -12.070 0.162 337 1HB TRP 47 2HB TRP 47 10.408 -10.397 1.922 338 2HB TRP 47 1HB TRP 47 9.004 -9.964 0.962 339 HD1 TRP 47 HD1 TRP 47 9.871 -11.431 4.420 340 HE1 TRP 47 HE1 TRP 47 7.859 -10.998 5.991 341 HE3 TRP 47 HE3 TRP 47 6.705 -9.318 1.062 342 HZ2 TRP 47 HZ2 TRP 47 5.244 -9.911 5.771 343 HZ3 TRP 47 HZ3 TRP 47 4.498 -8.632 1.792 344 HH2 TRP 47 HH2 TRP 47 3.768 -8.936 4.057 345 H ASN 48 H ASN 48 10.092 -13.731 -0.556 346 HA ASN 48 HA ASN 48 12.611 -14.438 0.610 347 1HB ASN 48 2HB ASN 48 10.911 -15.916 -0.681 348 2HB ASN 48 1HB ASN 48 11.671 -15.255 -2.129 349 1HD2 ASN 48 1HD2 ASN 48 12.016 -17.306 0.612 350 2HD2 ASN 48 2HD2 ASN 48 13.520 -18.035 0.133 351 H ASN 49 H ASN 49 13.023 -11.892 0.228 352 HA ASN 49 HA ASN 49 14.372 -10.320 -0.700 353 1HB ASN 49 2HB ASN 49 16.049 -12.113 -0.896 354 2HB ASN 49 1HB ASN 49 15.380 -12.569 -2.463 355 1HD2 ASN 49 1HD2 ASN 49 17.325 -12.206 -3.503 356 2HD2 ASN 49 2HD2 ASN 49 17.930 -10.615 -3.812 357 H ASN 50 H ASN 50 12.453 -12.307 -2.795 358 HA ASN 50 HA ASN 50 12.294 -10.653 -5.052 359 1HB ASN 50 2HB ASN 50 9.927 -11.744 -5.241 360 2HB ASN 50 1HB ASN 50 11.361 -12.771 -5.395 361 1HD2 ASN 50 1HD2 ASN 50 10.247 -14.594 -4.843 362 2HD2 ASN 50 2HD2 ASN 50 9.658 -14.896 -3.227 363 H GLY 51 H GLY 51 10.471 -10.722 -2.039 364 1HA GLY 51 2HA GLY 51 8.907 -9.312 -1.162 365 2HA GLY 51 1HA GLY 51 9.897 -8.032 -1.866 366 H ASN 52 H ASN 52 7.592 -10.500 -2.870 367 HA ASN 52 HA ASN 52 6.896 -9.737 -5.358 368 1HB ASN 52 2HB ASN 52 5.004 -10.741 -3.226 369 2HB ASN 52 1HB ASN 52 4.698 -10.787 -4.961 370 1HD2 ASN 52 1HD2 ASN 52 6.607 -12.084 -2.344 371 2HD2 ASN 52 2HD2 ASN 52 7.176 -13.484 -3.200 372 H ILE 53 H ILE 53 6.469 -7.786 -6.110 373 HA ILE 53 HA ILE 53 4.794 -6.028 -4.461 374 HB ILE 53 HB ILE 53 7.006 -5.193 -4.429 375 1HG1 ILE 53 2HG1 ILE 53 4.950 -3.633 -5.095 376 2HG1 ILE 53 1HG1 ILE 53 6.583 -3.007 -4.902 377 1HG2 ILE 53 1HG2 ILE 53 8.105 -4.507 -6.642 378 2HG2 ILE 53 2HG2 ILE 53 6.982 -5.651 -7.381 379 3HG2 ILE 53 3HG2 ILE 53 8.141 -6.208 -6.172 380 1HD1 ILE 53 1HD1 ILE 53 5.261 -3.738 -7.512 381 2HD1 ILE 53 2HD1 ILE 53 6.903 -3.120 -7.326 382 3HD1 ILE 53 3HD1 ILE 53 5.527 -2.107 -6.892 383 H ILE 54 H ILE 54 3.129 -5.050 -5.297 384 HA ILE 54 HA ILE 54 2.784 -5.040 -8.222 385 HB ILE 54 HB ILE 54 0.963 -6.095 -6.597 386 1HG1 ILE 54 2HG1 ILE 54 -0.799 -5.425 -8.233 387 2HG1 ILE 54 1HG1 ILE 54 0.326 -4.248 -8.903 388 1HG2 ILE 54 1HG2 ILE 54 0.184 -3.192 -6.559 389 2HG2 ILE 54 2HG2 ILE 54 0.709 -4.143 -5.169 390 3HG2 ILE 54 3HG2 ILE 54 -0.799 -4.542 -5.990 391 1HD1 ILE 54 1HD1 ILE 54 0.764 -7.222 -8.829 392 2HD1 ILE 54 2HD1 ILE 54 1.826 -6.023 -9.572 393 3HD1 ILE 54 3HD1 ILE 54 0.212 -6.301 -10.228 394 H ALA 55 H ALA 55 2.677 -3.052 -9.225 395 HA ALA 55 HA ALA 55 3.411 -0.805 -7.539 396 1HB ALA 55 1HB ALA 55 4.625 -1.211 -9.649 397 2HB ALA 55 2HB ALA 55 3.888 0.392 -9.574 398 3HB ALA 55 3HB ALA 55 3.138 -0.882 -10.542 399 H ALA 56 H ALA 56 1.859 0.325 -6.615 400 HA ALA 56 HA ALA 56 -0.802 0.478 -7.712 401 1HB ALA 56 1HB ALA 56 -1.302 1.884 -5.794 402 2HB ALA 56 2HB ALA 56 0.413 1.992 -5.409 403 3HB ALA 56 3HB ALA 56 -0.422 0.444 -5.277 404 H SER 57 H SER 57 -1.818 2.481 -8.290 405 HA SER 57 HA SER 57 0.065 4.510 -9.253 406 1HB SER 57 2HB SER 57 -0.704 2.900 -11.089 407 2HB SER 57 1HB SER 57 -2.313 3.586 -10.867 408 HG SER 57 HG SER 57 -0.373 4.523 -12.361 409 H PHE 58 H PHE 58 -0.579 6.528 -8.793 410 HA PHE 58 HA PHE 58 -2.918 6.815 -7.246 411 1HB PHE 58 2HB PHE 58 -2.240 9.074 -6.812 412 2HB PHE 58 1HB PHE 58 -0.889 7.972 -6.570 413 HD1 PHE 58 HD1 PHE 58 -2.350 10.466 -8.787 414 HD2 PHE 58 HD2 PHE 58 1.098 8.166 -7.873 415 HE1 PHE 58 HE1 PHE 58 -1.054 11.822 -10.312 416 HE2 PHE 58 HE2 PHE 58 2.434 9.547 -9.417 417 HZ PHE 58 HZ PHE 58 1.354 11.396 -10.648 418 H SER 59 H SER 59 -4.733 7.786 -7.647 419 HA SER 59 HA SER 59 -5.408 8.228 -10.434 420 1HB SER 59 2HB SER 59 -6.872 6.884 -8.885 421 2HB SER 59 1HB SER 59 -7.176 8.357 -7.970 422 HG SER 59 HG SER 59 -8.231 7.505 -10.364 423 H GLY 60 H GLY 60 -4.865 9.955 -7.431 424 1HA GLY 60 2HA GLY 60 -3.891 12.221 -8.511 425 2HA GLY 60 1HA GLY 60 -5.624 12.493 -8.618 426 HA PRO 61 HA PRO 61 -3.965 13.716 -4.327 427 1HB PRO 61 2HB PRO 61 -4.680 16.418 -5.284 428 2HB PRO 61 1HB PRO 61 -3.253 15.885 -4.390 429 1HG PRO 61 2HG PRO 61 -3.093 16.558 -6.976 430 2HG PRO 61 1HG PRO 61 -2.131 15.226 -6.305 431 1HD PRO 61 2HD PRO 61 -4.647 15.120 -7.927 432 2HD PRO 61 1HD PRO 61 -3.197 14.096 -8.029 433 H ILE 62 H ILE 62 -5.428 13.980 -2.707 434 HA ILE 62 HA ILE 62 -8.218 13.839 -3.480 435 HB ILE 62 HB ILE 62 -7.116 13.808 -0.674 436 1HG1 ILE 62 2HG1 ILE 62 -7.556 11.447 -2.515 437 2HG1 ILE 62 1HG1 ILE 62 -5.982 12.087 -2.056 438 1HG2 ILE 62 1HG2 ILE 62 -9.175 12.335 -0.386 439 2HG2 ILE 62 2HG2 ILE 62 -9.695 12.955 -1.953 440 3HG2 ILE 62 3HG2 ILE 62 -9.441 14.061 -0.602 441 1HD1 ILE 62 1HD1 ILE 62 -6.707 11.644 0.344 442 2HD1 ILE 62 2HD1 ILE 62 -6.287 10.268 -0.671 443 3HD1 ILE 62 3HD1 ILE 62 -7.982 10.652 -0.369 444 H SER 63 H SER 63 -9.233 15.683 -3.857 445 HA SER 63 HA SER 63 -8.404 18.209 -2.939 446 1HB SER 63 2HB SER 63 -11.136 17.393 -3.953 447 2HB SER 63 1HB SER 63 -10.488 19.033 -3.898 448 HG SER 63 HG SER 63 -9.706 16.860 -5.537 449 H GLY 64 H GLY 64 -8.721 19.235 -1.074 450 1HA GLY 64 2HA GLY 64 -10.202 19.926 0.709 451 2HA GLY 64 1HA GLY 64 -10.919 18.322 0.671 452 H SER 65 H SER 65 -7.836 17.597 0.305 453 HA SER 65 HA SER 65 -6.898 18.034 3.017 454 1HB SER 65 2HB SER 65 -7.189 15.218 1.943 455 2HB SER 65 1HB SER 65 -6.590 15.686 3.529 456 HG SER 65 HG SER 65 -8.991 16.779 3.204 457 H ASN 66 H ASN 66 -4.648 17.155 3.263 458 HA ASN 66 HA ASN 66 -3.183 17.631 0.776 459 1HB ASN 66 2HB ASN 66 -2.600 18.843 2.930 460 2HB ASN 66 1HB ASN 66 -2.037 17.299 3.557 461 1HD2 ASN 66 1HD2 ASN 66 -0.105 16.468 2.850 462 2HD2 ASN 66 2HD2 ASN 66 0.997 17.348 1.850 463 H TYR 67 H TYR 67 -4.422 15.380 0.493 464 HA TYR 67 HA TYR 67 -2.368 13.331 0.890 465 1HB TYR 67 2HB TYR 67 -5.233 13.237 1.646 466 2HB TYR 67 1HB TYR 67 -4.585 11.798 0.868 467 HD1 TYR 67 HD1 TYR 67 -3.373 14.191 3.462 468 HD2 TYR 67 HD2 TYR 67 -3.984 10.156 2.337 469 HE1 TYR 67 HE1 TYR 67 -2.411 13.458 5.611 470 HE2 TYR 67 HE2 TYR 67 -3.024 9.397 4.464 471 HH TYR 67 HH TYR 67 -1.469 10.258 6.184 472 H GLU 68 H GLU 68 -2.769 11.452 -0.541 473 HA GLU 68 HA GLU 68 -3.806 12.302 -3.164 474 1HB GLU 68 2HB GLU 68 -1.188 12.093 -2.664 475 2HB GLU 68 1HB GLU 68 -1.513 10.403 -2.984 476 1HG GLU 68 2HG GLU 68 -2.157 10.834 -5.192 477 2HG GLU 68 1HG GLU 68 -2.294 12.568 -4.900 478 H TYR 69 H TYR 69 -3.875 10.001 -4.572 479 HA TYR 69 HA TYR 69 -5.479 8.246 -2.889 480 1HB TYR 69 2HB TYR 69 -6.859 10.260 -3.764 481 2HB TYR 69 1HB TYR 69 -6.726 9.479 -5.338 482 HD1 TYR 69 HD1 TYR 69 -7.065 7.830 -2.075 483 HD2 TYR 69 HD2 TYR 69 -8.986 8.838 -5.719 484 HE1 TYR 69 HE1 TYR 69 -8.973 6.406 -1.445 485 HE2 TYR 69 HE2 TYR 69 -10.900 7.409 -5.117 486 HH TYR 69 HH TYR 69 -11.303 6.132 -1.944 487 H TRP 70 H TRP 70 -4.839 6.303 -3.433 488 HA TRP 70 HA TRP 70 -3.680 5.952 -6.118 489 1HB TRP 70 2HB TRP 70 -3.023 4.445 -3.581 490 2HB TRP 70 1HB TRP 70 -2.119 4.442 -5.092 491 HD1 TRP 70 HD1 TRP 70 -3.080 7.070 -2.396 492 HE1 TRP 70 HE1 TRP 70 -1.073 8.632 -2.170 493 HE3 TRP 70 HE3 TRP 70 -0.158 5.188 -5.863 494 HZ2 TRP 70 HZ2 TRP 70 1.454 9.020 -3.263 495 HZ3 TRP 70 HZ3 TRP 70 2.106 6.071 -6.268 496 HH2 TRP 70 HH2 TRP 70 2.878 8.015 -4.984 497 H THR 71 H THR 71 -4.518 4.355 -7.373 498 HA THR 71 HA THR 71 -6.356 2.462 -6.063 499 HB THR 71 HB THR 71 -7.406 2.422 -8.467 500 HG1 THR 71 HG1 THR 71 -6.723 3.958 -9.749 501 1HG2 THR 71 1HG2 THR 71 -7.802 4.523 -6.356 502 2HG2 THR 71 2HG2 THR 71 -8.752 3.067 -6.653 503 3HG2 THR 71 3HG2 THR 71 -8.848 4.422 -7.777 504 H PHE 72 H PHE 72 -6.245 0.297 -6.708 505 HA PHE 72 HA PHE 72 -4.601 -0.367 -8.953 506 1HB PHE 72 2HB PHE 72 -2.902 -1.610 -7.866 507 2HB PHE 72 1HB PHE 72 -2.984 -0.066 -7.028 508 HD1 PHE 72 HD1 PHE 72 -4.561 -0.047 -4.932 509 HD2 PHE 72 HD2 PHE 72 -2.849 -3.541 -6.631 510 HE1 PHE 72 HE1 PHE 72 -4.844 -1.220 -2.783 511 HE2 PHE 72 HE2 PHE 72 -3.132 -4.730 -4.498 512 HZ PHE 72 HZ PHE 72 -4.131 -3.568 -2.567 513 H SER 73 H SER 73 -4.658 -2.510 -9.591 514 HA SER 73 HA SER 73 -6.410 -4.355 -8.157 515 1HB SER 73 2HB SER 73 -7.466 -5.000 -10.344 516 2HB SER 73 1HB SER 73 -7.915 -3.390 -9.775 517 HG SER 73 HG SER 73 -6.117 -2.640 -11.170 518 H ALA 74 H ALA 74 -5.802 -6.510 -8.438 519 HA ALA 74 HA ALA 74 -3.624 -7.118 -10.261 520 1HB ALA 74 1HB ALA 74 -3.039 -7.835 -7.466 521 2HB ALA 74 2HB ALA 74 -2.945 -6.128 -7.878 522 3HB ALA 74 3HB ALA 74 -1.958 -7.300 -8.758 523 H SER 75 H SER 75 -3.657 -9.177 -10.935 524 HA SER 75 HA SER 75 -5.187 -11.174 -9.463 525 1HB SER 75 2HB SER 75 -5.267 -11.116 -11.964 526 2HB SER 75 1HB SER 75 -3.540 -11.466 -11.998 527 HG SER 75 HG SER 75 -5.594 -13.124 -10.938 528 H VAL 76 H VAL 76 -4.156 -11.813 -7.671 529 HA VAL 76 HA VAL 76 -1.253 -11.708 -7.568 530 HB VAL 76 HB VAL 76 -1.533 -12.042 -5.131 531 1HG1 VAL 76 1HG1 VAL 76 -2.756 -9.897 -4.682 532 2HG1 VAL 76 2HG1 VAL 76 -3.186 -9.870 -6.383 533 3HG1 VAL 76 3HG1 VAL 76 -1.491 -9.780 -5.913 534 1HG2 VAL 76 1HG2 VAL 76 -3.706 -12.085 -4.107 535 2HG2 VAL 76 2HG2 VAL 76 -3.603 -13.402 -5.275 536 3HG2 VAL 76 3HG2 VAL 76 -4.494 -11.939 -5.678 537 H LYS 77 H LYS 77 -0.045 -13.430 -6.516 538 HA LYS 77 HA LYS 77 -0.873 -16.050 -7.498 539 1HB LYS 77 2HB LYS 77 1.733 -15.322 -6.136 540 2HB LYS 77 1HB LYS 77 1.399 -16.760 -7.085 541 1HG LYS 77 2HG LYS 77 2.662 -15.489 -8.528 542 2HG LYS 77 1HG LYS 77 1.019 -15.088 -9.031 543 1HD LYS 77 2HD LYS 77 2.332 -13.062 -8.901 544 2HD LYS 77 1HD LYS 77 1.121 -13.055 -7.619 545 1HE LYS 77 2HE LYS 77 3.066 -12.312 -6.566 546 2HE LYS 77 1HE LYS 77 2.970 -14.016 -6.128 547 1HZ LYS 77 1HZ LYS 77 5.203 -13.442 -6.756 548 2HZ LYS 77 2HZ LYS 77 4.681 -12.837 -8.251 549 3HZ LYS 77 3HZ LYS 77 4.558 -14.498 -7.917 550 H GLY 78 H GLY 78 -2.238 -14.866 -5.289 551 1HA GLY 78 2HA GLY 78 -3.076 -15.667 -3.257 552 2HA GLY 78 1HA GLY 78 -1.715 -16.782 -3.162 553 H ILE 79 H ILE 79 -2.787 -14.805 -1.175 554 HA ILE 79 HA ILE 79 -0.205 -13.603 -0.584 555 HB ILE 79 HB ILE 79 -1.101 -11.746 -1.613 556 1HG1 ILE 79 2HG1 ILE 79 -1.865 -11.413 1.288 557 2HG1 ILE 79 1HG1 ILE 79 -0.257 -11.180 0.616 558 1HG2 ILE 79 1HG2 ILE 79 -3.367 -10.903 -1.323 559 2HG2 ILE 79 2HG2 ILE 79 -3.736 -12.230 -0.243 560 3HG2 ILE 79 3HG2 ILE 79 -3.373 -12.552 -1.940 561 1HD1 ILE 79 1HD1 ILE 79 -2.705 -9.560 -0.022 562 2HD1 ILE 79 2HD1 ILE 79 -1.124 -9.346 -0.764 563 3HD1 ILE 79 3HD1 ILE 79 -1.332 -9.053 0.964 564 H LYS 80 H LYS 80 0.353 -13.832 1.381 565 HA LYS 80 HA LYS 80 -1.564 -14.919 3.301 566 1HB LYS 80 2HB LYS 80 1.450 -14.729 3.350 567 2HB LYS 80 1HB LYS 80 0.488 -15.378 4.670 568 1HG LYS 80 2HG LYS 80 0.606 -16.488 1.873 569 2HG LYS 80 1HG LYS 80 1.450 -17.138 3.281 570 1HD LYS 80 2HD LYS 80 -0.936 -17.236 4.321 571 2HD LYS 80 1HD LYS 80 -1.472 -17.154 2.642 572 1HE LYS 80 2HE LYS 80 -1.329 -19.452 3.223 573 2HE LYS 80 1HE LYS 80 0.038 -19.096 2.165 574 1HZ LYS 80 1HZ LYS 80 0.897 -20.365 3.927 575 2HZ LYS 80 2HZ LYS 80 0.044 -19.487 5.098 576 3HZ LYS 80 3HZ LYS 80 1.350 -18.769 4.289 577 H GLU 81 H GLU 81 0.731 -12.277 2.920 578 HA GLU 81 HA GLU 81 -0.796 -10.595 4.681 579 1HB GLU 81 2HB GLU 81 0.911 -10.252 6.344 580 2HB GLU 81 1HB GLU 81 0.609 -11.979 6.207 581 1HG GLU 81 2HG GLU 81 2.591 -12.206 4.803 582 2HG GLU 81 1HG GLU 81 2.911 -10.485 4.998 583 H PHE 82 H PHE 82 0.351 -8.312 4.807 584 HA PHE 82 HA PHE 82 2.468 -7.859 2.954 585 1HB PHE 82 2HB PHE 82 1.445 -7.015 1.066 586 2HB PHE 82 1HB PHE 82 0.382 -8.344 1.485 587 HD1 PHE 82 HD1 PHE 82 -1.400 -7.300 3.445 588 HD2 PHE 82 HD2 PHE 82 0.254 -5.385 0.045 589 HE1 PHE 82 HE1 PHE 82 -3.372 -5.859 3.302 590 HE2 PHE 82 HE2 PHE 82 -1.707 -3.907 -0.086 591 HZ PHE 82 HZ PHE 82 -3.533 -4.146 1.544 592 H TYR 83 H TYR 83 2.681 -5.512 2.417 593 HA TYR 83 HA TYR 83 1.301 -3.586 3.959 594 1HB TYR 83 2HB TYR 83 2.923 -2.915 5.529 595 2HB TYR 83 1HB TYR 83 2.886 -4.662 5.664 596 HD1 TYR 83 HD1 TYR 83 4.687 -5.347 3.304 597 HD2 TYR 83 HD2 TYR 83 5.002 -2.411 6.365 598 HE1 TYR 83 HE1 TYR 83 7.143 -5.371 3.088 599 HE2 TYR 83 HE2 TYR 83 7.445 -2.439 6.152 600 HH TYR 83 HH TYR 83 9.207 -3.990 5.367 601 H ILE 84 H ILE 84 1.951 -1.420 3.313 602 HA ILE 84 HA ILE 84 2.986 -1.621 0.589 603 HB ILE 84 HB ILE 84 1.780 0.877 1.739 604 1HG1 ILE 84 2HG1 ILE 84 0.145 -0.878 2.192 605 2HG1 ILE 84 1HG1 ILE 84 -0.407 0.109 0.845 606 1HG2 ILE 84 1HG2 ILE 84 1.103 1.120 -0.671 607 2HG2 ILE 84 2HG2 ILE 84 2.114 -0.292 -1.009 608 3HG2 ILE 84 3HG2 ILE 84 2.838 1.182 -0.357 609 1HD1 ILE 84 1HD1 ILE 84 0.918 -2.575 0.599 610 2HD1 ILE 84 2HD1 ILE 84 0.290 -1.591 -0.722 611 3HD1 ILE 84 3HD1 ILE 84 -0.813 -2.261 0.479 612 H LYS 85 H LYS 85 4.752 -0.649 -0.147 613 HA LYS 85 HA LYS 85 6.525 0.582 1.832 614 1HB LYS 85 2HB LYS 85 7.159 -0.128 -1.036 615 2HB LYS 85 1HB LYS 85 8.297 0.195 0.266 616 1HG LYS 85 2HG LYS 85 6.401 -2.025 0.647 617 2HG LYS 85 1HG LYS 85 7.681 -2.260 -0.544 618 1HD LYS 85 2HD LYS 85 8.132 -1.413 2.313 619 2HD LYS 85 1HD LYS 85 8.244 -3.077 1.739 620 1HE LYS 85 2HE LYS 85 10.001 -2.330 0.134 621 2HE LYS 85 1HE LYS 85 9.948 -0.738 0.888 622 1HZ LYS 85 1HZ LYS 85 10.613 -3.275 2.291 623 2HZ LYS 85 2HZ LYS 85 10.626 -1.723 2.977 624 3HZ LYS 85 3HZ LYS 85 11.743 -2.122 1.769 625 H TYR 86 H TYR 86 6.099 2.645 2.050 626 HA TYR 86 HA TYR 86 5.262 4.277 -0.205 627 1HB TYR 86 2HB TYR 86 4.154 4.600 1.965 628 2HB TYR 86 1HB TYR 86 5.703 4.990 2.707 629 HD1 TYR 86 HD1 TYR 86 4.125 6.112 -0.466 630 HD2 TYR 86 HD2 TYR 86 5.666 7.234 3.314 631 HE1 TYR 86 HE1 TYR 86 3.775 8.451 -1.044 632 HE2 TYR 86 HE2 TYR 86 5.323 9.604 2.753 633 HH TYR 86 HH TYR 86 3.392 10.681 0.426 634 H GLU 87 H GLU 87 6.891 4.829 -1.554 635 HA GLU 87 HA GLU 87 9.450 5.527 -0.312 636 1HB GLU 87 2HB GLU 87 9.225 3.408 -1.845 637 2HB GLU 87 1HB GLU 87 9.271 4.592 -3.145 638 1HG GLU 87 2HG GLU 87 11.391 5.456 -2.251 639 2HG GLU 87 1HG GLU 87 11.346 4.200 -1.018 640 H VAL 88 H VAL 88 10.054 7.495 -0.549 641 HA VAL 88 HA VAL 88 8.840 9.146 -2.655 642 HB VAL 88 HB VAL 88 10.038 10.119 -0.055 643 1HG1 VAL 88 1HG1 VAL 88 8.722 12.118 -0.470 644 2HG1 VAL 88 2HG1 VAL 88 8.064 11.402 -1.940 645 3HG1 VAL 88 3HG1 VAL 88 9.783 11.785 -1.840 646 1HG2 VAL 88 1HG2 VAL 88 7.172 9.391 -0.618 647 2HG2 VAL 88 2HG2 VAL 88 7.730 10.211 0.827 648 3HG2 VAL 88 3HG2 VAL 88 8.259 8.569 0.492 649 H SER 89 H SER 89 10.348 10.942 -3.372 650 HA SER 89 HA SER 89 12.791 9.767 -4.228 651 1HB SER 89 2HB SER 89 11.441 11.277 -5.623 652 2HB SER 89 1HB SER 89 11.841 12.617 -4.551 653 HG SER 89 HG SER 89 14.068 11.308 -5.359 654 H GLY 90 H GLY 90 12.327 10.420 -1.313 655 1HA GLY 90 2HA GLY 90 15.012 11.221 -0.740 656 2HA GLY 90 1HA GLY 90 13.806 12.398 -0.255 657 H LYS 91 H LYS 91 11.747 10.582 0.489 658 HA LYS 91 HA LYS 91 12.937 9.550 2.966 659 1HB LYS 91 2HB LYS 91 11.457 11.668 2.969 660 2HB LYS 91 1HB LYS 91 10.123 10.570 2.647 661 1HG LYS 91 2HG LYS 91 10.144 10.954 4.960 662 2HG LYS 91 1HG LYS 91 10.784 9.332 4.699 663 1HD LYS 91 2HD LYS 91 13.027 10.082 5.045 664 2HD LYS 91 1HD LYS 91 12.511 11.770 5.066 665 1HE LYS 91 2HE LYS 91 11.679 9.680 7.077 666 2HE LYS 91 1HE LYS 91 12.967 10.860 7.323 667 1HZ LYS 91 1HZ LYS 91 10.158 11.626 6.723 668 2HZ LYS 91 2HZ LYS 91 11.414 12.627 7.273 669 3HZ LYS 91 3HZ LYS 91 10.755 11.454 8.300 670 H THR 92 H THR 92 11.548 7.803 4.000 671 HA THR 92 HA THR 92 9.759 6.400 2.182 672 HB THR 92 HB THR 92 11.918 4.869 3.626 673 HG1 THR 92 HG1 THR 92 12.073 6.315 1.303 674 1HG2 THR 92 1HG2 THR 92 9.930 3.568 3.029 675 2HG2 THR 92 2HG2 THR 92 11.310 3.082 2.040 676 3HG2 THR 92 3HG2 THR 92 10.065 4.125 1.357 677 H TYR 93 H TYR 93 8.193 5.217 3.229 678 HA TYR 93 HA TYR 93 8.340 4.866 6.127 679 1HB TYR 93 2HB TYR 93 5.887 6.069 4.813 680 2HB TYR 93 1HB TYR 93 6.106 5.739 6.523 681 HD1 TYR 93 HD1 TYR 93 6.699 7.988 3.839 682 HD2 TYR 93 HD2 TYR 93 7.638 7.158 7.875 683 HE1 TYR 93 HE1 TYR 93 7.504 10.309 4.102 684 HE2 TYR 93 HE2 TYR 93 8.445 9.464 8.182 685 HH TYR 93 HH TYR 93 7.831 11.933 5.969 686 H TYR 94 H TYR 94 5.760 3.885 6.454 687 HA TYR 94 HA TYR 94 5.522 1.650 4.598 688 1HB TYR 94 2HB TYR 94 6.315 1.381 7.491 689 2HB TYR 94 1HB TYR 94 5.518 0.073 6.626 690 HD1 TYR 94 HD1 TYR 94 6.775 0.018 4.046 691 HD2 TYR 94 HD2 TYR 94 8.526 0.819 7.835 692 HE1 TYR 94 HE1 TYR 94 8.920 -0.838 3.224 693 HE2 TYR 94 HE2 TYR 94 10.694 -0.005 7.012 694 HH TYR 94 HH TYR 94 11.563 -1.479 5.294 695 H ASP 95 H ASP 95 3.489 0.879 4.447 696 HA ASP 95 HA ASP 95 1.522 1.701 6.487 697 1HB ASP 95 2HB ASP 95 0.894 2.473 4.260 698 2HB ASP 95 1HB ASP 95 1.110 0.853 3.611 699 H ASN 96 H ASN 96 1.694 0.095 7.967 700 HA ASN 96 HA ASN 96 1.180 -2.653 7.068 701 1HB ASN 96 2HB ASN 96 2.936 -3.518 8.556 702 2HB ASN 96 1HB ASN 96 3.619 -2.446 7.341 703 1HD2 ASN 96 1HD2 ASN 96 4.648 -3.254 9.973 704 2HD2 ASN 96 2HD2 ASN 96 4.915 -1.771 10.841 705 H ASN 97 H ASN 97 -0.711 -0.961 8.168 706 HA ASN 97 HA ASN 97 -2.222 -0.692 9.857 707 1HB ASN 97 2HB ASN 97 -0.844 -3.175 10.801 708 2HB ASN 97 1HB ASN 97 -1.856 -2.307 11.939 709 1HD2 ASN 97 1HD2 ASN 97 -1.747 -4.385 9.231 710 2HD2 ASN 97 2HD2 ASN 97 -3.464 -4.613 9.058 711 H ASN 98 H ASN 98 0.802 -1.621 11.409 712 HA ASN 98 HA ASN 98 1.650 0.924 12.184 713 1HB ASN 98 2HB ASN 98 -0.418 0.661 13.685 714 2HB ASN 98 1HB ASN 98 0.458 -0.633 14.495 715 1HD2 ASN 98 1HD2 ASN 98 -0.520 2.009 15.403 716 2HD2 ASN 98 2HD2 ASN 98 0.865 2.787 16.099 717 H SER 99 H SER 99 1.356 -2.296 13.610 718 HA SER 99 HA SER 99 3.971 -3.055 12.672 719 1HB SER 99 2HB SER 99 3.367 -3.048 15.652 720 2HB SER 99 1HB SER 99 4.791 -3.764 14.900 721 HG SER 99 HG SER 99 4.426 -1.167 14.156 722 H ALA 100 H ALA 100 1.983 -4.164 11.571 723 HA ALA 100 HA ALA 100 1.326 -6.594 13.070 724 1HB ALA 100 1HB ALA 100 -1.035 -6.393 12.512 725 2HB ALA 100 2HB ALA 100 -0.721 -4.838 11.738 726 3HB ALA 100 3HB ALA 100 -0.481 -5.024 13.476 727 H ASN 101 H ASN 101 1.063 -4.974 9.878 728 HA ASN 101 HA ASN 101 1.059 -5.842 7.719 729 1HB ASN 101 2HB ASN 101 2.038 -8.280 9.185 730 2HB ASN 101 1HB ASN 101 1.588 -8.366 7.485 731 1HD2 ASN 101 1HD2 ASN 101 3.842 -9.003 7.263 732 2HD2 ASN 101 2HD2 ASN 101 5.043 -7.759 7.111 733 H TYR 102 H TYR 102 -0.520 -6.630 6.407 734 HA TYR 102 HA TYR 102 -2.925 -7.480 7.824 735 1HB TYR 102 2HB TYR 102 -2.750 -6.980 4.864 736 2HB TYR 102 1HB TYR 102 -4.155 -6.864 5.907 737 HD1 TYR 102 HD1 TYR 102 -0.940 -5.251 5.076 738 HD2 TYR 102 HD2 TYR 102 -4.751 -4.802 6.896 739 HE1 TYR 102 HE1 TYR 102 -0.538 -2.852 5.289 740 HE2 TYR 102 HE2 TYR 102 -4.361 -2.384 7.126 741 HH TYR 102 HH TYR 102 -1.843 -0.747 5.543 742 H GLN 103 H GLN 103 -2.589 -9.604 8.300 743 HA GLN 103 HA GLN 103 -1.809 -11.465 6.256 744 1HB GLN 103 2HB GLN 103 -2.729 -13.157 8.034 745 2HB GLN 103 1HB GLN 103 -1.193 -12.344 8.286 746 1HG GLN 103 2HG GLN 103 -3.582 -10.992 9.336 747 2HG GLN 103 1HG GLN 103 -3.118 -12.495 10.120 748 1HE2 GLN 103 1HE2 GLN 103 -0.719 -10.453 8.662 749 2HE2 GLN 103 2HE2 GLN 103 -0.021 -9.869 10.132 750 H VAL 104 H VAL 104 -3.048 -12.057 4.712 751 HA VAL 104 HA VAL 104 -5.742 -11.054 4.626 752 HB VAL 104 HB VAL 104 -4.260 -12.603 2.503 753 1HG1 VAL 104 1HG1 VAL 104 -6.545 -12.499 1.951 754 2HG1 VAL 104 2HG1 VAL 104 -5.767 -11.239 1.006 755 3HG1 VAL 104 3HG1 VAL 104 -6.672 -10.818 2.454 756 1HG2 VAL 104 1HG2 VAL 104 -4.400 -9.613 2.601 757 2HG2 VAL 104 2HG2 VAL 104 -3.311 -10.646 1.681 758 3HG2 VAL 104 3HG2 VAL 104 -3.118 -10.492 3.428 759 H SER 105 H SER 105 -7.593 -12.213 4.210 760 HA SER 105 HA SER 105 -7.596 -14.972 5.117 761 1HB SER 105 2HB SER 105 -9.903 -13.195 4.269 762 2HB SER 105 1HB SER 105 -10.042 -14.770 5.046 763 HG SER 105 HG SER 105 -8.503 -12.837 6.348 764 H THR 106 H THR 106 -6.417 -15.824 3.318 765 HA THR 106 HA THR 106 -7.581 -15.616 0.678 766 HB THR 106 HB THR 106 -5.608 -17.440 0.371 767 HG1 THR 106 HG1 THR 106 -4.323 -15.777 2.191 768 1HG2 THR 106 1HG2 THR 106 -5.839 -15.309 -0.825 769 2HG2 THR 106 2HG2 THR 106 -4.178 -15.580 -0.298 770 3HG2 THR 106 3HG2 THR 106 -5.212 -14.455 0.583 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -12.479 5.238 7.672 2 2H ALA 1 2H ALA 1 -12.300 6.855 7.184 3 3H ALA 1 3H ALA 1 -12.785 6.495 8.769 4 HA ALA 1 HA ALA 1 -10.674 5.496 9.259 5 1HB ALA 1 1HB ALA 1 -10.094 4.602 7.115 6 2HB ALA 1 2HB ALA 1 -8.833 5.736 7.594 7 3HB ALA 1 3HB ALA 1 -10.041 6.212 6.401 8 H SER 2 H SER 2 -8.810 6.762 9.879 9 HA SER 2 HA SER 2 -9.357 9.658 9.787 10 1HB SER 2 2HB SER 2 -7.878 8.048 11.886 11 2HB SER 2 1HB SER 2 -8.156 9.788 11.939 12 HG SER 2 HG SER 2 -10.266 7.891 11.777 13 H ILE 3 H ILE 3 -7.738 11.051 9.230 14 HA ILE 3 HA ILE 3 -5.707 10.371 7.509 15 HB ILE 3 HB ILE 3 -5.804 12.704 9.429 16 1HG1 ILE 3 2HG1 ILE 3 -6.365 12.820 6.483 17 2HG1 ILE 3 1HG1 ILE 3 -7.626 12.275 7.595 18 1HG2 ILE 3 1HG2 ILE 3 -4.129 12.421 6.937 19 2HG2 ILE 3 2HG2 ILE 3 -3.515 12.269 8.580 20 3HG2 ILE 3 3HG2 ILE 3 -4.178 13.807 8.027 21 1HD1 ILE 3 1HD1 ILE 3 -6.207 14.926 7.682 22 2HD1 ILE 3 2HD1 ILE 3 -7.446 14.384 8.813 23 3HD1 ILE 3 3HD1 ILE 3 -7.853 14.635 7.116 24 HA PRO 4 HA PRO 4 -2.725 8.219 10.029 25 1HB PRO 4 2HB PRO 4 -0.583 8.620 8.343 26 2HB PRO 4 1HB PRO 4 -1.771 7.325 8.162 27 1HG PRO 4 2HG PRO 4 -1.615 9.964 6.761 28 2HG PRO 4 1HG PRO 4 -2.048 8.370 6.111 29 1HD PRO 4 2HD PRO 4 -3.919 10.205 6.676 30 2HD PRO 4 1HD PRO 4 -4.207 8.475 6.954 31 H SER 5 H SER 5 -1.442 8.840 11.627 32 HA SER 5 HA SER 5 -0.848 11.699 11.800 33 1HB SER 5 2HB SER 5 -2.192 10.578 13.599 34 2HB SER 5 1HB SER 5 -0.766 9.624 14.002 35 HG SER 5 HG SER 5 -0.220 11.247 15.204 36 H SER 6 H SER 6 0.775 8.706 12.927 37 HA SER 6 HA SER 6 3.341 9.999 12.694 38 1HB SER 6 2HB SER 6 2.741 8.310 14.489 39 2HB SER 6 1HB SER 6 2.829 7.071 13.238 40 HG SER 6 HG SER 6 4.844 8.442 14.528 41 H ALA 7 H ALA 7 1.725 7.238 11.130 42 HA ALA 7 HA ALA 7 3.686 6.755 9.200 43 1HB ALA 7 1HB ALA 7 1.959 5.154 9.855 44 2HB ALA 7 2HB ALA 7 1.955 5.449 8.127 45 3HB ALA 7 3HB ALA 7 0.728 6.191 9.134 46 H SER 8 H SER 8 3.711 7.259 6.997 47 HA SER 8 HA SER 8 2.552 9.852 6.356 48 1HB SER 8 2HB SER 8 4.533 8.191 4.779 49 2HB SER 8 1HB SER 8 4.132 9.891 4.520 50 HG SER 8 HG SER 8 5.131 10.435 6.404 51 H VAL 9 H VAL 9 1.772 6.637 5.966 52 HA VAL 9 HA VAL 9 -0.195 7.286 3.939 53 HB VAL 9 HB VAL 9 1.485 6.507 2.473 54 1HG1 VAL 9 1HG1 VAL 9 2.537 4.213 2.963 55 2HG1 VAL 9 2HG1 VAL 9 2.064 4.535 4.634 56 3HG1 VAL 9 3HG1 VAL 9 3.156 5.635 3.791 57 1HG2 VAL 9 1HG2 VAL 9 -0.676 5.417 2.065 58 2HG2 VAL 9 2HG2 VAL 9 -0.194 4.082 3.114 59 3HG2 VAL 9 3HG2 VAL 9 0.677 4.380 1.608 60 H GLN 10 H GLN 10 -1.975 5.843 3.909 61 HA GLN 10 HA GLN 10 -2.006 3.702 5.904 62 1HB GLN 10 2HB GLN 10 -2.859 5.790 6.985 63 2HB GLN 10 1HB GLN 10 -4.110 5.874 5.755 64 1HG GLN 10 2HG GLN 10 -5.004 3.730 6.530 65 2HG GLN 10 1HG GLN 10 -3.761 3.674 7.780 66 1HE2 GLN 10 1HE2 GLN 10 -3.914 6.579 8.179 67 2HE2 GLN 10 2HE2 GLN 10 -5.359 6.857 9.088 68 H LEU 11 H LEU 11 -3.612 2.112 5.455 69 HA LEU 11 HA LEU 11 -4.364 1.932 2.682 70 1HB LEU 11 2HB LEU 11 -3.765 -0.098 3.860 71 2HB LEU 11 1HB LEU 11 -5.018 0.184 5.057 72 HG LEU 11 HG LEU 11 -6.500 0.163 2.773 73 1HD1 LEU 11 1HD1 LEU 11 -4.290 -0.499 1.615 74 2HD1 LEU 11 2HD1 LEU 11 -5.760 -1.379 1.225 75 3HD1 LEU 11 3HD1 LEU 11 -4.576 -2.085 2.327 76 1HD2 LEU 11 1HD2 LEU 11 -5.771 -2.342 4.275 77 2HD2 LEU 11 2HD2 LEU 11 -7.308 -1.930 3.512 78 3HD2 LEU 11 3HD2 LEU 11 -6.784 -1.071 4.958 79 H ASP 12 H ASP 12 -6.381 2.160 1.810 80 HA ASP 12 HA ASP 12 -8.403 3.419 3.490 81 1HB ASP 12 2HB ASP 12 -7.772 4.318 1.208 82 2HB ASP 12 1HB ASP 12 -8.528 2.892 0.522 83 H SER 13 H SER 13 -8.396 0.955 0.950 84 HA SER 13 HA SER 13 -9.709 -1.055 2.506 85 1HB SER 13 2HB SER 13 -11.383 0.274 0.345 86 2HB SER 13 1HB SER 13 -11.834 -1.146 1.283 87 HG SER 13 HG SER 13 -11.232 0.770 3.006 88 H TYR 14 H TYR 14 -10.010 -2.973 1.401 89 HA TYR 14 HA TYR 14 -9.288 -3.210 -1.368 90 1HB TYR 14 2HB TYR 14 -7.339 -4.604 -1.075 91 2HB TYR 14 1HB TYR 14 -7.068 -3.093 -0.229 92 HD1 TYR 14 HD1 TYR 14 -8.076 -6.584 0.287 93 HD2 TYR 14 HD2 TYR 14 -6.468 -3.104 2.038 94 HE1 TYR 14 HE1 TYR 14 -7.498 -7.890 2.275 95 HE2 TYR 14 HE2 TYR 14 -5.901 -4.363 4.063 96 HH TYR 14 HH TYR 14 -5.834 -7.692 4.191 97 H ASN 15 H ASN 15 -9.819 -5.284 -2.178 98 HA ASN 15 HA ASN 15 -11.277 -6.996 -0.283 99 1HB ASN 15 2HB ASN 15 -12.264 -6.047 -2.978 100 2HB ASN 15 1HB ASN 15 -12.977 -7.400 -2.110 101 1HD2 ASN 15 1HD2 ASN 15 -12.592 -3.956 -2.236 102 2HD2 ASN 15 2HD2 ASN 15 -13.772 -3.580 -1.028 103 H TYR 16 H TYR 16 -11.601 -9.188 -1.058 104 HA TYR 16 HA TYR 16 -9.573 -10.054 -2.994 105 1HB TYR 16 2HB TYR 16 -9.618 -10.541 -0.097 106 2HB TYR 16 1HB TYR 16 -9.312 -11.967 -1.077 107 HD1 TYR 16 HD1 TYR 16 -7.360 -11.839 -2.742 108 HD2 TYR 16 HD2 TYR 16 -7.928 -9.028 0.400 109 HE1 TYR 16 HE1 TYR 16 -4.991 -11.235 -2.868 110 HE2 TYR 16 HE2 TYR 16 -5.554 -8.403 0.268 111 HH TYR 16 HH TYR 16 -3.552 -9.287 -2.284 112 H ASP 17 H ASP 17 -9.890 -12.117 -3.856 113 HA ASP 17 HA ASP 17 -12.342 -13.545 -3.176 114 1HB ASP 17 2HB ASP 17 -11.505 -12.661 -5.938 115 2HB ASP 17 1HB ASP 17 -12.628 -13.991 -5.678 116 H GLY 18 H GLY 18 -10.768 -14.911 -2.070 117 1HA GLY 18 2HA GLY 18 -9.411 -16.792 -1.980 118 2HA GLY 18 1HA GLY 18 -9.609 -16.960 -3.725 119 H SER 19 H SER 19 -8.147 -15.904 -5.125 120 HA SER 19 HA SER 19 -6.255 -14.078 -3.817 121 1HB SER 19 2HB SER 19 -5.599 -15.978 -6.080 122 2HB SER 19 1HB SER 19 -4.485 -14.831 -5.336 123 HG SER 19 HG SER 19 -5.692 -16.478 -3.516 124 H THR 20 H THR 20 -7.775 -12.472 -4.440 125 HA THR 20 HA THR 20 -7.022 -11.403 -7.034 126 HB THR 20 HB THR 20 -9.910 -11.305 -6.129 127 HG1 THR 20 HG1 THR 20 -8.544 -13.216 -7.549 128 1HG2 THR 20 1HG2 THR 20 -8.946 -9.422 -7.512 129 2HG2 THR 20 2HG2 THR 20 -10.336 -10.250 -8.219 130 3HG2 THR 20 3HG2 THR 20 -8.709 -10.602 -8.802 131 H PHE 21 H PHE 21 -6.386 -9.322 -6.748 132 HA PHE 21 HA PHE 21 -7.062 -8.108 -4.149 133 1HB PHE 21 2HB PHE 21 -4.625 -8.586 -4.624 134 2HB PHE 21 1HB PHE 21 -4.721 -7.399 -5.918 135 HD1 PHE 21 HD1 PHE 21 -4.510 -7.951 -2.387 136 HD2 PHE 21 HD2 PHE 21 -5.084 -4.996 -5.368 137 HE1 PHE 21 HE1 PHE 21 -4.052 -6.200 -0.711 138 HE2 PHE 21 HE2 PHE 21 -4.610 -3.233 -3.718 139 HZ PHE 21 HZ PHE 21 -4.092 -3.832 -1.389 140 H SER 22 H SER 22 -8.142 -6.311 -4.102 141 HA SER 22 HA SER 22 -7.934 -4.385 -6.257 142 1HB SER 22 2HB SER 22 -10.442 -4.191 -6.465 143 2HB SER 22 1HB SER 22 -9.769 -5.686 -7.123 144 HG SER 22 HG SER 22 -10.648 -6.826 -5.512 145 H GLY 23 H GLY 23 -8.646 -2.232 -5.551 146 1HA GLY 23 2HA GLY 23 -9.909 -1.532 -3.257 147 2HA GLY 23 1HA GLY 23 -8.320 -2.014 -2.681 148 H LYS 24 H LYS 24 -7.899 0.020 -1.916 149 HA LYS 24 HA LYS 24 -6.607 1.755 -3.756 150 1HB LYS 24 2HB LYS 24 -7.968 3.789 -3.258 151 2HB LYS 24 1HB LYS 24 -8.782 2.591 -4.259 152 1HG LYS 24 2HG LYS 24 -9.215 2.520 -1.323 153 2HG LYS 24 1HG LYS 24 -9.999 3.795 -2.255 154 1HD LYS 24 2HD LYS 24 -11.140 2.207 -3.621 155 2HD LYS 24 1HD LYS 24 -10.200 0.872 -2.955 156 1HE LYS 24 2HE LYS 24 -12.481 0.958 -2.047 157 2HE LYS 24 1HE LYS 24 -11.253 1.153 -0.800 158 1HZ LYS 24 1HZ LYS 24 -12.752 3.395 -2.052 159 2HZ LYS 24 2HZ LYS 24 -11.665 3.499 -0.749 160 3HZ LYS 24 3HZ LYS 24 -13.139 2.682 -0.562 161 H ILE 25 H ILE 25 -5.889 3.825 -2.522 162 HA ILE 25 HA ILE 25 -5.147 3.085 0.233 163 HB ILE 25 HB ILE 25 -3.147 4.213 -1.733 164 1HG1 ILE 25 2HG1 ILE 25 -3.498 1.316 -0.932 165 2HG1 ILE 25 1HG1 ILE 25 -3.825 1.989 -2.528 166 1HG2 ILE 25 1HG2 ILE 25 -2.670 4.592 0.631 167 2HG2 ILE 25 2HG2 ILE 25 -1.502 3.483 -0.084 168 3HG2 ILE 25 3HG2 ILE 25 -2.795 2.860 0.940 169 1HD1 ILE 25 1HD1 ILE 25 -1.135 1.929 -1.175 170 2HD1 ILE 25 2HD1 ILE 25 -1.479 2.553 -2.788 171 3HD1 ILE 25 3HD1 ILE 25 -1.678 0.835 -2.447 172 H TYR 26 H TYR 26 -4.232 4.890 1.459 173 HA TYR 26 HA TYR 26 -5.159 7.554 0.591 174 1HB TYR 26 2HB TYR 26 -6.683 6.315 2.233 175 2HB TYR 26 1HB TYR 26 -5.355 6.419 3.385 176 HD1 TYR 26 HD1 TYR 26 -4.408 8.928 3.631 177 HD2 TYR 26 HD2 TYR 26 -8.350 7.881 2.433 178 HE1 TYR 26 HE1 TYR 26 -5.218 11.105 4.426 179 HE2 TYR 26 HE2 TYR 26 -9.173 10.065 3.209 180 HH TYR 26 HH TYR 26 -8.503 11.808 4.833 181 H VAL 27 H VAL 27 -3.056 8.443 0.243 182 HA VAL 27 HA VAL 27 -1.227 8.171 2.536 183 HB VAL 27 HB VAL 27 0.583 7.784 1.262 184 1HG1 VAL 27 1HG1 VAL 27 -0.905 6.010 0.602 185 2HG1 VAL 27 2HG1 VAL 27 0.121 6.486 -0.748 186 3HG1 VAL 27 3HG1 VAL 27 -1.557 7.008 -0.695 187 1HG2 VAL 27 1HG2 VAL 27 0.594 8.603 -1.251 188 2HG2 VAL 27 2HG2 VAL 27 1.031 9.655 0.084 189 3HG2 VAL 27 3HG2 VAL 27 -0.582 9.757 -0.617 190 H LYS 28 H LYS 28 0.201 9.886 2.982 191 HA LYS 28 HA LYS 28 -0.891 12.533 2.419 192 1HB LYS 28 2HB LYS 28 -0.373 11.736 4.746 193 2HB LYS 28 1HB LYS 28 1.321 11.655 4.293 194 1HG LYS 28 2HG LYS 28 1.307 14.074 3.884 195 2HG LYS 28 1HG LYS 28 -0.380 14.136 4.403 196 1HD LYS 28 2HD LYS 28 1.985 13.269 6.069 197 2HD LYS 28 1HD LYS 28 1.072 14.769 6.243 198 1HE LYS 28 2HE LYS 28 -0.918 13.514 6.860 199 2HE LYS 28 1HE LYS 28 -0.065 11.995 6.600 200 1HZ LYS 28 1HZ LYS 28 -0.202 12.607 8.952 201 2HZ LYS 28 2HZ LYS 28 0.668 14.028 8.641 202 3HZ LYS 28 3HZ LYS 28 1.408 12.515 8.424 203 H ASN 29 H ASN 29 0.306 14.113 1.342 204 HA ASN 29 HA ASN 29 2.533 13.125 -0.252 205 1HB ASN 29 2HB ASN 29 0.834 15.607 -0.380 206 2HB ASN 29 1HB ASN 29 2.313 15.464 -1.318 207 1HD2 ASN 29 1HD2 ASN 29 -0.938 14.490 -0.987 208 2HD2 ASN 29 2HD2 ASN 29 -1.021 13.628 -2.475 209 H ILE 30 H ILE 30 4.351 13.078 0.978 210 HA ILE 30 HA ILE 30 5.194 15.479 2.394 211 HB ILE 30 HB ILE 30 6.629 12.838 1.992 212 1HG1 ILE 30 2HG1 ILE 30 6.238 12.788 4.564 213 2HG1 ILE 30 1HG1 ILE 30 5.001 13.995 4.235 214 1HG2 ILE 30 1HG2 ILE 30 7.405 15.199 3.705 215 2HG2 ILE 30 2HG2 ILE 30 8.233 14.648 2.249 216 3HG2 ILE 30 3HG2 ILE 30 8.213 13.630 3.689 217 1HD1 ILE 30 1HD1 ILE 30 5.098 11.220 3.086 218 2HD1 ILE 30 2HD1 ILE 30 3.859 12.433 2.759 219 3HD1 ILE 30 3HD1 ILE 30 4.046 11.779 4.386 220 H ALA 31 H ALA 31 5.870 13.664 -0.489 221 HA ALA 31 HA ALA 31 7.135 16.014 -1.647 222 1HB ALA 31 1HB ALA 31 8.926 14.821 -2.617 223 2HB ALA 31 2HB ALA 31 8.243 13.283 -2.120 224 3HB ALA 31 3HB ALA 31 8.907 14.374 -0.910 225 H TYR 32 H TYR 32 7.484 15.257 -4.192 226 HA TYR 32 HA TYR 32 4.724 14.517 -4.908 227 1HB TYR 32 2HB TYR 32 5.591 16.887 -5.367 228 2HB TYR 32 1HB TYR 32 6.548 16.156 -6.652 229 HD1 TYR 32 HD1 TYR 32 3.053 15.607 -5.485 230 HD2 TYR 32 HD2 TYR 32 5.602 16.694 -8.705 231 HE1 TYR 32 HE1 TYR 32 1.096 15.769 -6.965 232 HE2 TYR 32 HE2 TYR 32 3.654 16.854 -10.201 233 HH TYR 32 HH TYR 32 0.478 16.936 -9.066 234 H SER 33 H SER 33 7.992 13.626 -5.263 235 HA SER 33 HA SER 33 7.349 11.888 -7.529 236 1HB SER 33 2HB SER 33 10.041 12.194 -6.179 237 2HB SER 33 1HB SER 33 9.700 11.568 -7.803 238 HG SER 33 HG SER 33 9.589 13.549 -8.549 239 H LYS 34 H LYS 34 6.010 10.423 -6.444 240 HA LYS 34 HA LYS 34 7.198 8.947 -4.200 241 1HB LYS 34 2HB LYS 34 4.316 9.252 -5.037 242 2HB LYS 34 1HB LYS 34 4.886 8.450 -3.585 243 1HG LYS 34 2HG LYS 34 5.265 10.419 -2.512 244 2HG LYS 34 1HG LYS 34 5.672 11.243 -4.018 245 1HD LYS 34 2HD LYS 34 2.871 10.407 -3.300 246 2HD LYS 34 1HD LYS 34 3.535 12.013 -2.971 247 1HE LYS 34 2HE LYS 34 4.041 12.259 -5.373 248 2HE LYS 34 1HE LYS 34 3.280 10.701 -5.676 249 1HZ LYS 34 1HZ LYS 34 1.819 12.926 -4.390 250 2HZ LYS 34 2HZ LYS 34 1.181 11.545 -5.148 251 3HZ LYS 34 3HZ LYS 34 1.908 12.763 -6.073 252 H LYS 35 H LYS 35 7.080 6.685 -4.198 253 HA LYS 35 HA LYS 35 5.677 5.469 -6.475 254 1HB LYS 35 2HB LYS 35 7.298 3.715 -6.699 255 2HB LYS 35 1HB LYS 35 8.172 5.236 -6.775 256 1HG LYS 35 2HG LYS 35 9.002 4.964 -4.573 257 2HG LYS 35 1HG LYS 35 7.919 3.606 -4.267 258 1HD LYS 35 2HD LYS 35 10.085 2.710 -4.661 259 2HD LYS 35 1HD LYS 35 9.113 2.368 -6.092 260 1HE LYS 35 2HE LYS 35 10.155 4.135 -7.309 261 2HE LYS 35 1HE LYS 35 10.971 4.724 -5.860 262 1HZ LYS 35 1HZ LYS 35 12.481 3.457 -7.238 263 2HZ LYS 35 2HZ LYS 35 11.450 2.111 -7.188 264 3HZ LYS 35 3HZ LYS 35 12.213 2.648 -5.767 265 H VAL 36 H VAL 36 4.202 3.997 -5.852 266 HA VAL 36 HA VAL 36 4.292 3.234 -3.021 267 HB VAL 36 HB VAL 36 1.819 3.886 -4.633 268 1HG1 VAL 36 1HG1 VAL 36 0.553 3.280 -2.772 269 2HG1 VAL 36 2HG1 VAL 36 1.956 3.224 -1.737 270 3HG1 VAL 36 3HG1 VAL 36 1.705 1.960 -2.940 271 1HG2 VAL 36 1HG2 VAL 36 3.203 5.772 -3.779 272 2HG2 VAL 36 2HG2 VAL 36 2.920 5.178 -2.150 273 3HG2 VAL 36 3HG2 VAL 36 1.566 5.727 -3.140 274 H THR 37 H THR 37 4.527 1.217 -2.729 275 HA THR 37 HA THR 37 3.731 -0.654 -4.837 276 HB THR 37 HB THR 37 5.963 -1.818 -4.343 277 HG1 THR 37 HG1 THR 37 6.367 -0.339 -2.499 278 1HG2 THR 37 1HG2 THR 37 5.425 0.597 -5.940 279 2HG2 THR 37 2HG2 THR 37 5.984 -0.995 -6.454 280 3HG2 THR 37 3HG2 THR 37 7.123 0.157 -5.756 281 H VAL 38 H VAL 38 2.366 -2.004 -3.936 282 HA VAL 38 HA VAL 38 2.485 -2.607 -1.114 283 HB VAL 38 HB VAL 38 0.727 -3.669 -3.316 284 1HG1 VAL 38 1HG1 VAL 38 -0.506 -4.932 -1.704 285 2HG1 VAL 38 2HG1 VAL 38 0.469 -4.311 -0.378 286 3HG1 VAL 38 3HG1 VAL 38 1.186 -5.410 -1.559 287 1HG2 VAL 38 1HG2 VAL 38 -0.966 -2.586 -1.784 288 2HG2 VAL 38 2HG2 VAL 38 0.029 -1.534 -2.774 289 3HG2 VAL 38 3HG2 VAL 38 0.394 -1.747 -1.059 290 H VAL 39 H VAL 39 3.498 -4.174 -0.233 291 HA VAL 39 HA VAL 39 4.609 -6.263 -1.986 292 HB VAL 39 HB VAL 39 6.658 -6.316 -0.585 293 1HG1 VAL 39 1HG1 VAL 39 5.951 -3.797 -2.052 294 2HG1 VAL 39 2HG1 VAL 39 6.785 -5.220 -2.674 295 3HG1 VAL 39 3HG1 VAL 39 7.586 -4.167 -1.507 296 1HG2 VAL 39 1HG2 VAL 39 5.838 -5.289 1.448 297 2HG2 VAL 39 2HG2 VAL 39 5.519 -3.782 0.589 298 3HG2 VAL 39 3HG2 VAL 39 7.179 -4.341 0.802 299 H TYR 40 H TYR 40 4.102 -8.227 -1.439 300 HA TYR 40 HA TYR 40 3.051 -8.627 1.270 301 1HB TYR 40 2HB TYR 40 1.189 -9.885 0.432 302 2HB TYR 40 1HB TYR 40 1.211 -8.322 -0.362 303 HD1 TYR 40 HD1 TYR 40 1.006 -8.230 -2.660 304 HD2 TYR 40 HD2 TYR 40 2.238 -11.872 -0.900 305 HE1 TYR 40 HE1 TYR 40 0.804 -9.332 -4.846 306 HE2 TYR 40 HE2 TYR 40 2.051 -12.993 -3.071 307 HH TYR 40 HH TYR 40 1.022 -12.783 -5.143 308 H ALA 41 H ALA 41 3.312 -10.640 2.193 309 HA ALA 41 HA ALA 41 5.361 -12.311 1.081 310 1HB ALA 41 1HB ALA 41 5.365 -12.656 3.346 311 2HB ALA 41 2HB ALA 41 4.272 -13.955 2.878 312 3HB ALA 41 3HB ALA 41 3.624 -12.437 3.499 313 H ASP 42 H ASP 42 4.688 -12.820 -0.839 314 HA ASP 42 HA ASP 42 2.405 -14.000 -1.788 315 1HB ASP 42 2HB ASP 42 3.664 -14.883 -3.532 316 2HB ASP 42 1HB ASP 42 4.704 -13.592 -2.941 317 H GLY 43 H GLY 43 2.454 -16.543 -2.516 318 1HA GLY 43 2HA GLY 43 1.653 -17.962 -0.240 319 2HA GLY 43 1HA GLY 43 2.005 -18.687 -1.802 320 H SER 44 H SER 44 4.810 -17.550 -1.588 321 HA SER 44 HA SER 44 5.951 -19.837 -0.222 322 1HB SER 44 2HB SER 44 6.734 -18.990 -2.460 323 2HB SER 44 1HB SER 44 7.348 -17.564 -1.622 324 HG SER 44 HG SER 44 8.206 -19.808 -0.398 325 H ASP 45 H ASP 45 5.249 -16.587 0.499 326 HA ASP 45 HA ASP 45 5.578 -15.291 2.334 327 1HB ASP 45 2HB ASP 45 6.871 -17.770 3.495 328 2HB ASP 45 1HB ASP 45 6.612 -16.282 4.392 329 H ASN 46 H ASN 46 7.378 -15.383 0.123 330 HA ASN 46 HA ASN 46 9.993 -14.996 1.408 331 1HB ASN 46 2HB ASN 46 10.083 -16.729 -0.264 332 2HB ASN 46 1HB ASN 46 9.302 -15.687 -1.453 333 1HD2 ASN 46 1HD2 ASN 46 12.256 -16.344 0.288 334 2HD2 ASN 46 2HD2 ASN 46 13.291 -15.394 -0.722 335 H TRP 47 H TRP 47 9.887 -12.862 2.007 336 HA TRP 47 HA TRP 47 9.528 -10.915 -0.131 337 1HB TRP 47 2HB TRP 47 10.660 -10.011 2.436 338 2HB TRP 47 1HB TRP 47 9.436 -9.262 1.436 339 HD1 TRP 47 HD1 TRP 47 9.740 -12.248 3.830 340 HE1 TRP 47 HE1 TRP 47 7.550 -12.392 5.209 341 HE3 TRP 47 HE3 TRP 47 7.138 -8.463 1.603 342 HZ2 TRP 47 HZ2 TRP 47 5.065 -11.058 5.300 343 HZ3 TRP 47 HZ3 TRP 47 4.884 -7.981 2.366 344 HH2 TRP 47 HH2 TRP 47 3.858 -9.261 4.152 345 H ASN 48 H ASN 48 11.122 -10.897 -1.459 346 HA ASN 48 HA ASN 48 13.897 -11.281 -0.957 347 1HB ASN 48 2HB ASN 48 12.540 -11.303 -3.188 348 2HB ASN 48 1HB ASN 48 12.754 -9.548 -3.165 349 1HD2 ASN 48 1HD2 ASN 48 13.723 -11.629 -5.026 350 2HD2 ASN 48 2HD2 ASN 48 15.457 -11.444 -5.067 351 H ASN 49 H ASN 49 14.748 -8.678 -2.283 352 HA ASN 49 HA ASN 49 14.682 -6.755 -0.250 353 1HB ASN 49 2HB ASN 49 15.956 -6.451 -2.387 354 2HB ASN 49 1HB ASN 49 14.425 -6.213 -3.235 355 1HD2 ASN 49 1HD2 ASN 49 16.725 -4.860 -1.028 356 2HD2 ASN 49 2HD2 ASN 49 16.087 -3.250 -1.022 357 H ASN 50 H ASN 50 12.501 -7.303 -2.972 358 HA ASN 50 HA ASN 50 10.279 -7.206 -1.058 359 1HB ASN 50 2HB ASN 50 10.245 -6.117 -3.870 360 2HB ASN 50 1HB ASN 50 8.787 -6.435 -2.904 361 1HD2 ASN 50 1HD2 ASN 50 9.889 -5.509 -0.420 362 2HD2 ASN 50 2HD2 ASN 50 10.032 -3.774 -0.530 363 H GLY 51 H GLY 51 11.094 -7.955 -4.428 364 1HA GLY 51 2HA GLY 51 11.085 -9.989 -5.544 365 2HA GLY 51 1HA GLY 51 10.511 -10.765 -4.071 366 H ASN 52 H ASN 52 8.258 -9.494 -3.512 367 HA ASN 52 HA ASN 52 6.536 -9.955 -5.854 368 1HB ASN 52 2HB ASN 52 4.867 -10.722 -3.981 369 2HB ASN 52 1HB ASN 52 6.085 -11.836 -4.590 370 1HD2 ASN 52 1HD2 ASN 52 6.688 -9.139 -2.388 371 2HD2 ASN 52 2HD2 ASN 52 7.136 -10.119 -1.031 372 H ILE 53 H ILE 53 5.779 -8.040 -6.436 373 HA ILE 53 HA ILE 53 4.691 -6.279 -4.370 374 HB ILE 53 HB ILE 53 6.846 -5.370 -4.600 375 1HG1 ILE 53 2HG1 ILE 53 4.737 -3.814 -5.054 376 2HG1 ILE 53 1HG1 ILE 53 6.381 -3.188 -5.071 377 1HG2 ILE 53 1HG2 ILE 53 7.688 -4.685 -6.928 378 2HG2 ILE 53 2HG2 ILE 53 6.518 -5.863 -7.527 379 3HG2 ILE 53 3HG2 ILE 53 7.810 -6.378 -6.442 380 1HD1 ILE 53 1HD1 ILE 53 4.750 -3.961 -7.486 381 2HD1 ILE 53 2HD1 ILE 53 6.405 -3.356 -7.518 382 3HD1 ILE 53 3HD1 ILE 53 5.101 -2.321 -6.939 383 H ILE 54 H ILE 54 2.938 -5.155 -4.930 384 HA ILE 54 HA ILE 54 2.169 -5.132 -7.771 385 HB ILE 54 HB ILE 54 0.591 -6.382 -6.230 386 1HG1 ILE 54 2HG1 ILE 54 -1.465 -5.228 -7.162 387 2HG1 ILE 54 1HG1 ILE 54 -0.372 -4.016 -7.826 388 1HG2 ILE 54 1HG2 ILE 54 -0.095 -3.647 -5.200 389 2HG2 ILE 54 2HG2 ILE 54 0.711 -4.923 -4.287 390 3HG2 ILE 54 3HG2 ILE 54 -0.949 -5.147 -4.842 391 1HD1 ILE 54 1HD1 ILE 54 -0.240 -6.960 -8.422 392 2HD1 ILE 54 2HD1 ILE 54 0.725 -5.684 -9.169 393 3HD1 ILE 54 3HD1 ILE 54 -1.016 -5.752 -9.449 394 H ALA 55 H ALA 55 2.382 -3.185 -8.684 395 HA ALA 55 HA ALA 55 2.978 -0.915 -7.023 396 1HB ALA 55 1HB ALA 55 4.125 -1.355 -9.191 397 2HB ALA 55 2HB ALA 55 3.455 0.272 -9.038 398 3HB ALA 55 3HB ALA 55 2.620 -0.940 -10.016 399 H ALA 56 H ALA 56 1.721 0.795 -6.557 400 HA ALA 56 HA ALA 56 -1.111 0.507 -6.948 401 1HB ALA 56 1HB ALA 56 -1.366 2.232 -5.398 402 2HB ALA 56 2HB ALA 56 0.209 2.930 -5.773 403 3HB ALA 56 3HB ALA 56 0.106 1.416 -4.873 404 H SER 57 H SER 57 -2.479 2.010 -7.979 405 HA SER 57 HA SER 57 -1.179 3.484 -10.153 406 1HB SER 57 2HB SER 57 -2.822 1.568 -10.674 407 2HB SER 57 1HB SER 57 -4.078 2.640 -10.058 408 HG SER 57 HG SER 57 -2.540 2.820 -12.386 409 H PHE 58 H PHE 58 -1.469 5.630 -10.213 410 HA PHE 58 HA PHE 58 -2.534 6.916 -7.953 411 1HB PHE 58 2HB PHE 58 -1.751 8.197 -10.572 412 2HB PHE 58 1HB PHE 58 -1.997 9.010 -9.026 413 HD1 PHE 58 HD1 PHE 58 -0.117 9.616 -7.869 414 HD2 PHE 58 HD2 PHE 58 0.071 6.222 -10.430 415 HE1 PHE 58 HE1 PHE 58 2.283 9.383 -7.381 416 HE2 PHE 58 HE2 PHE 58 2.469 5.978 -9.938 417 HZ PHE 58 HZ PHE 58 3.578 7.560 -8.415 418 H SER 59 H SER 59 -4.411 7.913 -7.651 419 HA SER 59 HA SER 59 -6.361 7.884 -9.855 420 1HB SER 59 2HB SER 59 -7.115 6.642 -7.877 421 2HB SER 59 1HB SER 59 -6.802 8.042 -6.851 422 HG SER 59 HG SER 59 -8.897 7.543 -8.628 423 H GLY 60 H GLY 60 -5.080 9.811 -7.170 424 1HA GLY 60 2HA GLY 60 -4.272 12.009 -8.388 425 2HA GLY 60 1HA GLY 60 -6.013 12.258 -8.465 426 HA PRO 61 HA PRO 61 -4.166 13.676 -4.287 427 1HB PRO 61 2HB PRO 61 -4.935 16.329 -5.360 428 2HB PRO 61 1HB PRO 61 -3.496 15.860 -4.449 429 1HG PRO 61 2HG PRO 61 -3.352 16.391 -7.061 430 2HG PRO 61 1HG PRO 61 -2.388 15.091 -6.332 431 1HD PRO 61 2HD PRO 61 -4.906 14.911 -7.940 432 2HD PRO 61 1HD PRO 61 -3.466 13.871 -7.980 433 H ILE 62 H ILE 62 -5.619 13.762 -2.682 434 HA ILE 62 HA ILE 62 -8.396 13.585 -3.269 435 HB ILE 62 HB ILE 62 -7.077 14.004 -0.576 436 1HG1 ILE 62 2HG1 ILE 62 -7.831 11.431 -1.986 437 2HG1 ILE 62 1HG1 ILE 62 -6.190 12.025 -1.772 438 1HG2 ILE 62 1HG2 ILE 62 -9.798 12.951 -1.349 439 2HG2 ILE 62 2HG2 ILE 62 -9.440 14.438 -0.476 440 3HG2 ILE 62 3HG2 ILE 62 -9.122 12.882 0.278 441 1HD1 ILE 62 1HD1 ILE 62 -6.700 11.950 0.730 442 2HD1 ILE 62 2HD1 ILE 62 -6.422 10.441 -0.129 443 3HD1 ILE 62 3HD1 ILE 62 -8.069 10.933 0.271 444 H SER 63 H SER 63 -9.556 15.246 -3.876 445 HA SER 63 HA SER 63 -8.673 17.846 -4.007 446 1HB SER 63 2HB SER 63 -11.554 16.932 -3.972 447 2HB SER 63 1HB SER 63 -10.933 18.430 -4.669 448 HG SER 63 HG SER 63 -9.525 16.822 -5.926 449 H GLY 64 H GLY 64 -8.291 19.276 -2.504 450 1HA GLY 64 2HA GLY 64 -9.167 20.858 -0.933 451 2HA GLY 64 1HA GLY 64 -10.258 19.613 -0.343 452 H SER 65 H SER 65 -7.317 18.177 -0.803 453 HA SER 65 HA SER 65 -6.205 18.961 1.778 454 1HB SER 65 2HB SER 65 -7.031 16.133 1.110 455 2HB SER 65 1HB SER 65 -6.082 16.593 2.524 456 HG SER 65 HG SER 65 -8.266 18.132 2.409 457 H ASN 66 H ASN 66 -4.159 17.704 2.203 458 HA ASN 66 HA ASN 66 -2.568 17.677 -0.255 459 1HB ASN 66 2HB ASN 66 -1.857 19.106 1.657 460 2HB ASN 66 1HB ASN 66 -1.676 17.662 2.643 461 1HD2 ASN 66 1HD2 ASN 66 0.185 16.556 2.554 462 2HD2 ASN 66 2HD2 ASN 66 1.508 16.927 1.504 463 H TYR 67 H TYR 67 -4.417 15.563 0.821 464 HA TYR 67 HA TYR 67 -2.565 13.309 1.071 465 1HB TYR 67 2HB TYR 67 -5.577 13.218 1.325 466 2HB TYR 67 1HB TYR 67 -4.399 12.069 1.954 467 HD1 TYR 67 HD1 TYR 67 -2.566 13.382 3.509 468 HD2 TYR 67 HD2 TYR 67 -6.608 14.492 2.954 469 HE1 TYR 67 HE1 TYR 67 -2.484 14.605 5.622 470 HE2 TYR 67 HE2 TYR 67 -6.564 15.732 5.075 471 HH TYR 67 HH TYR 67 -5.235 15.693 7.214 472 H GLU 68 H GLU 68 -3.029 11.387 -0.313 473 HA GLU 68 HA GLU 68 -4.175 12.236 -2.888 474 1HB GLU 68 2HB GLU 68 -1.670 12.322 -2.835 475 2HB GLU 68 1HB GLU 68 -1.667 10.586 -2.584 476 1HG GLU 68 2HG GLU 68 -2.371 10.135 -4.724 477 2HG GLU 68 1HG GLU 68 -3.107 11.728 -4.930 478 H TYR 69 H TYR 69 -4.341 10.146 -4.373 479 HA TYR 69 HA TYR 69 -5.783 8.167 -2.783 480 1HB TYR 69 2HB TYR 69 -7.204 10.159 -3.805 481 2HB TYR 69 1HB TYR 69 -7.037 9.224 -5.289 482 HD1 TYR 69 HD1 TYR 69 -7.626 8.387 -1.736 483 HD2 TYR 69 HD2 TYR 69 -8.964 8.001 -5.741 484 HE1 TYR 69 HE1 TYR 69 -9.475 6.962 -0.964 485 HE2 TYR 69 HE2 TYR 69 -10.820 6.566 -4.993 486 HH TYR 69 HH TYR 69 -11.589 6.185 -1.624 487 H TRP 70 H TRP 70 -5.384 6.197 -3.461 488 HA TRP 70 HA TRP 70 -4.083 5.835 -6.074 489 1HB TRP 70 2HB TRP 70 -3.348 4.378 -3.527 490 2HB TRP 70 1HB TRP 70 -2.425 4.489 -5.018 491 HD1 TRP 70 HD1 TRP 70 -3.629 6.904 -2.256 492 HE1 TRP 70 HE1 TRP 70 -1.817 8.674 -1.962 493 HE3 TRP 70 HE3 TRP 70 -0.467 5.485 -5.748 494 HZ2 TRP 70 HZ2 TRP 70 0.653 9.379 -2.997 495 HZ3 TRP 70 HZ3 TRP 70 1.692 6.642 -6.074 496 HH2 TRP 70 HH2 TRP 70 2.205 8.610 -4.720 497 H THR 71 H THR 71 -4.984 4.176 -7.257 498 HA THR 71 HA THR 71 -7.064 2.633 -5.853 499 HB THR 71 HB THR 71 -7.950 2.426 -8.315 500 HG1 THR 71 HG1 THR 71 -7.073 3.780 -9.696 501 1HG2 THR 71 1HG2 THR 71 -8.177 4.749 -6.430 502 2HG2 THR 71 2HG2 THR 71 -9.321 3.437 -6.714 503 3HG2 THR 71 3HG2 THR 71 -9.110 4.699 -7.928 504 H PHE 72 H PHE 72 -7.466 0.451 -6.507 505 HA PHE 72 HA PHE 72 -5.118 -0.788 -7.742 506 1HB PHE 72 2HB PHE 72 -6.454 -1.469 -5.201 507 2HB PHE 72 1HB PHE 72 -5.764 -2.764 -6.171 508 HD1 PHE 72 HD1 PHE 72 -5.231 -1.008 -3.528 509 HD2 PHE 72 HD2 PHE 72 -3.281 -1.806 -7.164 510 HE1 PHE 72 HE1 PHE 72 -3.085 -0.556 -2.423 511 HE2 PHE 72 HE2 PHE 72 -1.092 -1.357 -6.117 512 HZ PHE 72 HZ PHE 72 -0.991 -0.730 -3.731 513 H SER 73 H SER 73 -5.283 -2.574 -8.758 514 HA SER 73 HA SER 73 -7.451 -4.377 -8.579 515 1HB SER 73 2HB SER 73 -6.971 -3.121 -11.292 516 2HB SER 73 1HB SER 73 -7.944 -4.558 -10.961 517 HG SER 73 HG SER 73 -8.682 -2.447 -9.400 518 H ALA 74 H ALA 74 -6.571 -6.304 -8.686 519 HA ALA 74 HA ALA 74 -3.976 -6.681 -9.962 520 1HB ALA 74 1HB ALA 74 -3.827 -7.485 -7.168 521 2HB ALA 74 2HB ALA 74 -4.082 -5.755 -7.363 522 3HB ALA 74 3HB ALA 74 -2.697 -6.530 -8.137 523 H SER 75 H SER 75 -3.770 -8.702 -10.687 524 HA SER 75 HA SER 75 -5.379 -10.814 -9.446 525 1HB SER 75 2HB SER 75 -5.351 -10.567 -11.963 526 2HB SER 75 1HB SER 75 -3.635 -10.969 -11.927 527 HG SER 75 HG SER 75 -5.825 -12.596 -11.738 528 H VAL 76 H VAL 76 -4.351 -11.452 -7.623 529 HA VAL 76 HA VAL 76 -1.445 -11.381 -7.572 530 HB VAL 76 HB VAL 76 -1.587 -11.642 -5.165 531 1HG1 VAL 76 1HG1 VAL 76 -3.072 -9.622 -4.663 532 2HG1 VAL 76 2HG1 VAL 76 -3.430 -9.626 -6.386 533 3HG1 VAL 76 3HG1 VAL 76 -1.771 -9.400 -5.840 534 1HG2 VAL 76 1HG2 VAL 76 -3.635 -11.878 -3.965 535 2HG2 VAL 76 2HG2 VAL 76 -3.547 -13.173 -5.156 536 3HG2 VAL 76 3HG2 VAL 76 -4.581 -11.782 -5.451 537 H LYS 77 H LYS 77 -0.147 -13.108 -7.028 538 HA LYS 77 HA LYS 77 -1.181 -15.625 -8.060 539 1HB LYS 77 2HB LYS 77 1.195 -16.260 -8.211 540 2HB LYS 77 1HB LYS 77 0.878 -14.730 -9.015 541 1HG LYS 77 2HG LYS 77 1.686 -13.581 -6.931 542 2HG LYS 77 1HG LYS 77 2.211 -15.163 -6.355 543 1HD LYS 77 2HD LYS 77 3.613 -15.392 -8.375 544 2HD LYS 77 1HD LYS 77 3.126 -13.768 -8.868 545 1HE LYS 77 2HE LYS 77 4.088 -12.881 -6.777 546 2HE LYS 77 1HE LYS 77 4.638 -14.504 -6.361 547 1HZ LYS 77 1HZ LYS 77 6.445 -13.345 -7.331 548 2HZ LYS 77 2HZ LYS 77 5.517 -12.843 -8.659 549 3HZ LYS 77 3HZ LYS 77 5.922 -14.482 -8.475 550 H GLY 78 H GLY 78 -1.977 -14.810 -5.445 551 1HA GLY 78 2HA GLY 78 -2.431 -16.221 -3.574 552 2HA GLY 78 1HA GLY 78 -0.903 -17.047 -3.872 553 H ILE 79 H ILE 79 -2.028 -15.659 -1.441 554 HA ILE 79 HA ILE 79 0.334 -14.129 -0.804 555 HB ILE 79 HB ILE 79 -0.876 -12.359 -1.798 556 1HG1 ILE 79 2HG1 ILE 79 -1.325 -12.172 1.180 557 2HG1 ILE 79 1HG1 ILE 79 0.199 -11.843 0.364 558 1HG2 ILE 79 1HG2 ILE 79 -3.150 -11.752 -1.234 559 2HG2 ILE 79 2HG2 ILE 79 -3.261 -13.107 -0.117 560 3HG2 ILE 79 3HG2 ILE 79 -3.087 -13.404 -1.848 561 1HD1 ILE 79 1HD1 ILE 79 -2.359 -10.307 0.154 562 2HD1 ILE 79 2HD1 ILE 79 -0.997 -10.065 -0.919 563 3HD1 ILE 79 3HD1 ILE 79 -0.818 -9.770 0.809 564 H LYS 80 H LYS 80 0.744 -13.963 1.292 565 HA LYS 80 HA LYS 80 -1.053 -15.360 3.156 566 1HB LYS 80 2HB LYS 80 1.898 -14.707 3.344 567 2HB LYS 80 1HB LYS 80 0.971 -15.497 4.611 568 1HG LYS 80 2HG LYS 80 1.356 -16.597 1.840 569 2HG LYS 80 1HG LYS 80 2.331 -17.038 3.242 570 1HD LYS 80 2HD LYS 80 0.212 -17.755 4.374 571 2HD LYS 80 1HD LYS 80 -0.617 -17.504 2.836 572 1HE LYS 80 2HE LYS 80 -0.019 -19.843 3.109 573 2HE LYS 80 1HE LYS 80 0.882 -19.124 1.774 574 1HZ LYS 80 1HZ LYS 80 2.774 -18.830 3.322 575 2HZ LYS 80 2HZ LYS 80 2.357 -20.454 3.078 576 3HZ LYS 80 3HZ LYS 80 1.900 -19.675 4.510 577 H GLU 81 H GLU 81 1.108 -12.537 2.971 578 HA GLU 81 HA GLU 81 -0.696 -10.927 4.552 579 1HB GLU 81 2HB GLU 81 0.907 -10.532 6.352 580 2HB GLU 81 1HB GLU 81 0.528 -12.243 6.212 581 1HG GLU 81 2HG GLU 81 2.611 -12.637 5.035 582 2HG GLU 81 1HG GLU 81 3.006 -10.924 5.156 583 H PHE 82 H PHE 82 0.063 -8.572 4.640 584 HA PHE 82 HA PHE 82 2.411 -8.069 2.886 585 1HB PHE 82 2HB PHE 82 0.912 -6.175 1.849 586 2HB PHE 82 1HB PHE 82 0.788 -7.815 1.216 587 HD1 PHE 82 HD1 PHE 82 -0.533 -6.517 4.354 588 HD2 PHE 82 HD2 PHE 82 -1.452 -7.775 0.414 589 HE1 PHE 82 HE1 PHE 82 -2.887 -6.499 4.924 590 HE2 PHE 82 HE2 PHE 82 -3.855 -7.741 0.957 591 HZ PHE 82 HZ PHE 82 -4.585 -7.102 3.224 592 H TYR 83 H TYR 83 3.130 -5.815 2.907 593 HA TYR 83 HA TYR 83 1.741 -3.969 4.631 594 1HB TYR 83 2HB TYR 83 3.394 -3.477 6.168 595 2HB TYR 83 1HB TYR 83 3.599 -5.211 6.011 596 HD1 TYR 83 HD1 TYR 83 5.246 -5.595 3.722 597 HD2 TYR 83 HD2 TYR 83 5.376 -2.458 6.573 598 HE1 TYR 83 HE1 TYR 83 7.648 -5.256 3.236 599 HE2 TYR 83 HE2 TYR 83 7.760 -2.110 6.104 600 HH TYR 83 HH TYR 83 9.334 -3.541 3.432 601 H ILE 84 H ILE 84 2.711 -1.679 4.224 602 HA ILE 84 HA ILE 84 3.019 -1.781 1.314 603 HB ILE 84 HB ILE 84 2.028 0.611 2.841 604 1HG1 ILE 84 2HG1 ILE 84 0.448 -1.033 3.469 605 2HG1 ILE 84 1HG1 ILE 84 -0.272 -0.249 2.068 606 1HG2 ILE 84 1HG2 ILE 84 0.916 1.021 0.630 607 2HG2 ILE 84 2HG2 ILE 84 1.876 -0.316 -0.018 608 3HG2 ILE 84 3HG2 ILE 84 2.675 1.127 0.618 609 1HD1 ILE 84 1HD1 ILE 84 0.933 -2.972 2.301 610 2HD1 ILE 84 2HD1 ILE 84 0.797 -2.164 0.725 611 3HD1 ILE 84 3HD1 ILE 84 -0.656 -2.490 1.680 612 H LYS 85 H LYS 85 4.352 -0.457 0.192 613 HA LYS 85 HA LYS 85 6.695 0.481 1.684 614 1HB LYS 85 2HB LYS 85 6.236 -0.536 -1.105 615 2HB LYS 85 1HB LYS 85 7.632 0.470 -0.755 616 1HG LYS 85 2HG LYS 85 7.190 -1.867 1.000 617 2HG LYS 85 1HG LYS 85 7.703 -2.179 -0.662 618 1HD LYS 85 2HD LYS 85 9.079 -0.330 1.276 619 2HD LYS 85 1HD LYS 85 9.617 -1.964 0.869 620 1HE LYS 85 2HE LYS 85 9.910 -1.308 -1.453 621 2HE LYS 85 1HE LYS 85 9.317 0.313 -1.089 622 1HZ LYS 85 1HZ LYS 85 11.264 0.338 0.579 623 2HZ LYS 85 2HZ LYS 85 11.589 0.586 -1.064 624 3HZ LYS 85 3HZ LYS 85 11.890 -0.931 -0.357 625 H TYR 86 H TYR 86 6.449 2.633 2.114 626 HA TYR 86 HA TYR 86 5.516 4.323 -0.095 627 1HB TYR 86 2HB TYR 86 4.511 4.703 2.167 628 2HB TYR 86 1HB TYR 86 6.110 5.150 2.758 629 HD1 TYR 86 HD1 TYR 86 4.497 6.004 -0.471 630 HD2 TYR 86 HD2 TYR 86 5.918 7.430 3.264 631 HE1 TYR 86 HE1 TYR 86 4.103 8.296 -1.217 632 HE2 TYR 86 HE2 TYR 86 5.529 9.745 2.535 633 HH TYR 86 HH TYR 86 3.634 10.574 -0.017 634 H GLU 87 H GLU 87 7.166 4.590 -1.454 635 HA GLU 87 HA GLU 87 9.770 5.287 -0.291 636 1HB GLU 87 2HB GLU 87 9.710 3.067 -1.379 637 2HB GLU 87 1HB GLU 87 9.227 3.834 -2.884 638 1HG GLU 87 2HG GLU 87 11.304 4.896 -3.125 639 2HG GLU 87 1HG GLU 87 11.775 4.526 -1.472 640 H VAL 88 H VAL 88 10.731 7.082 -0.954 641 HA VAL 88 HA VAL 88 9.265 8.730 -2.903 642 HB VAL 88 HB VAL 88 10.695 9.898 -0.527 643 1HG1 VAL 88 1HG1 VAL 88 9.136 11.749 -0.867 644 2HG1 VAL 88 2HG1 VAL 88 8.400 10.881 -2.215 645 3HG1 VAL 88 3HG1 VAL 88 10.079 11.416 -2.319 646 1HG2 VAL 88 1HG2 VAL 88 8.018 8.600 -0.588 647 2HG2 VAL 88 2HG2 VAL 88 8.254 10.016 0.426 648 3HG2 VAL 88 3HG2 VAL 88 9.245 8.577 0.674 649 H SER 89 H SER 89 10.671 10.595 -3.714 650 HA SER 89 HA SER 89 12.770 9.679 -5.162 651 1HB SER 89 2HB SER 89 13.367 12.254 -5.050 652 2HB SER 89 1HB SER 89 11.936 11.687 -5.896 653 HG SER 89 HG SER 89 10.979 13.068 -4.597 654 H GLY 90 H GLY 90 12.885 11.077 -1.906 655 1HA GLY 90 2HA GLY 90 15.731 10.291 -1.810 656 2HA GLY 90 1HA GLY 90 15.157 11.778 -1.080 657 H LYS 91 H LYS 91 12.646 10.031 -0.291 658 HA LYS 91 HA LYS 91 13.926 9.046 2.165 659 1HB LYS 91 2HB LYS 91 12.524 11.187 2.252 660 2HB LYS 91 1HB LYS 91 11.136 10.160 1.931 661 1HG LYS 91 2HG LYS 91 11.203 10.498 4.249 662 2HG LYS 91 1HG LYS 91 11.762 8.852 3.955 663 1HD LYS 91 2HD LYS 91 13.155 9.946 5.630 664 2HD LYS 91 1HD LYS 91 14.089 9.611 4.169 665 1HE LYS 91 2HE LYS 91 13.767 11.929 3.443 666 2HE LYS 91 1HE LYS 91 12.838 12.258 4.903 667 1HZ LYS 91 1HZ LYS 91 15.674 11.380 4.897 668 2HZ LYS 91 2HZ LYS 91 14.764 11.888 6.234 669 3HZ LYS 91 3HZ LYS 91 15.171 12.996 5.018 670 H THR 92 H THR 92 12.603 7.363 3.306 671 HA THR 92 HA THR 92 10.544 6.063 1.727 672 HB THR 92 HB THR 92 12.797 4.403 2.848 673 HG1 THR 92 HG1 THR 92 12.647 5.814 0.499 674 1HG2 THR 92 1HG2 THR 92 10.689 3.199 2.607 675 2HG2 THR 92 2HG2 THR 92 11.844 2.647 1.391 676 3HG2 THR 92 3HG2 THR 92 10.549 3.753 0.936 677 H TYR 93 H TYR 93 9.064 4.982 2.959 678 HA TYR 93 HA TYR 93 9.607 4.655 5.821 679 1HB TYR 93 2HB TYR 93 6.928 5.633 4.823 680 2HB TYR 93 1HB TYR 93 7.450 5.460 6.489 681 HD1 TYR 93 HD1 TYR 93 7.351 7.503 3.617 682 HD2 TYR 93 HD2 TYR 93 9.102 7.093 7.436 683 HE1 TYR 93 HE1 TYR 93 7.957 9.901 3.568 684 HE2 TYR 93 HE2 TYR 93 9.727 9.472 7.430 685 HH TYR 93 HH TYR 93 8.441 11.688 5.260 686 H TYR 94 H TYR 94 7.395 3.531 6.633 687 HA TYR 94 HA TYR 94 6.707 1.305 4.911 688 1HB TYR 94 2HB TYR 94 8.363 0.950 7.422 689 2HB TYR 94 1HB TYR 94 7.514 -0.365 6.619 690 HD1 TYR 94 HD1 TYR 94 8.090 -0.631 4.062 691 HD2 TYR 94 HD2 TYR 94 10.596 1.310 6.892 692 HE1 TYR 94 HE1 TYR 94 10.015 -1.050 2.615 693 HE2 TYR 94 HE2 TYR 94 12.546 0.916 5.437 694 HH TYR 94 HH TYR 94 13.199 -0.710 3.621 695 H ASP 95 H ASP 95 4.644 0.756 5.340 696 HA ASP 95 HA ASP 95 3.655 1.260 8.060 697 1HB ASP 95 2HB ASP 95 2.891 3.104 6.616 698 2HB ASP 95 1HB ASP 95 2.144 1.938 5.528 699 H ASN 96 H ASN 96 2.182 -0.152 8.853 700 HA ASN 96 HA ASN 96 1.364 -2.381 7.111 701 1HB ASN 96 2HB ASN 96 1.646 -3.927 8.980 702 2HB ASN 96 1HB ASN 96 3.169 -3.107 8.652 703 1HD2 ASN 96 1HD2 ASN 96 0.578 -3.545 10.890 704 2HD2 ASN 96 2HD2 ASN 96 1.298 -2.690 12.217 705 H ASN 97 H ASN 97 0.305 0.257 8.332 706 HA ASN 97 HA ASN 97 -1.550 1.145 9.247 707 1HB ASN 97 2HB ASN 97 -2.627 -1.547 8.434 708 2HB ASN 97 1HB ASN 97 -3.644 -0.352 9.233 709 1HD2 ASN 97 1HD2 ASN 97 -1.690 -1.002 6.389 710 2HD2 ASN 97 2HD2 ASN 97 -2.456 0.187 5.375 711 H ASN 98 H ASN 98 -1.959 -2.188 10.363 712 HA ASN 98 HA ASN 98 -0.925 -2.067 12.881 713 1HB ASN 98 2HB ASN 98 -2.573 -0.251 13.373 714 2HB ASN 98 1HB ASN 98 -3.880 -1.357 12.963 715 1HD2 ASN 98 1HD2 ASN 98 -4.803 -1.358 14.979 716 2HD2 ASN 98 2HD2 ASN 98 -4.046 -2.061 16.369 717 H SER 99 H SER 99 -4.161 -2.892 11.646 718 HA SER 99 HA SER 99 -3.261 -5.645 11.458 719 1HB SER 99 2HB SER 99 -5.904 -4.857 12.710 720 2HB SER 99 1HB SER 99 -5.305 -6.500 12.492 721 HG SER 99 HG SER 99 -4.866 -4.841 14.526 722 H ALA 100 H ALA 100 -3.995 -3.313 9.641 723 HA ALA 100 HA ALA 100 -6.144 -4.481 8.059 724 1HB ALA 100 1HB ALA 100 -5.830 -2.541 6.588 725 2HB ALA 100 2HB ALA 100 -4.448 -2.031 7.558 726 3HB ALA 100 3HB ALA 100 -6.067 -2.049 8.263 727 H ASN 101 H ASN 101 -2.691 -3.963 7.967 728 HA ASN 101 HA ASN 101 -2.378 -5.616 5.569 729 1HB ASN 101 2HB ASN 101 -0.377 -4.126 7.282 730 2HB ASN 101 1HB ASN 101 0.045 -5.098 5.878 731 1HD2 ASN 101 1HD2 ASN 101 -2.256 -4.255 4.294 732 2HD2 ASN 101 2HD2 ASN 101 -1.956 -2.621 3.841 733 H TYR 102 H TYR 102 -0.297 -7.035 5.906 734 HA TYR 102 HA TYR 102 0.413 -9.025 6.571 735 1HB TYR 102 2HB TYR 102 -0.734 -8.016 9.133 736 2HB TYR 102 1HB TYR 102 0.011 -9.624 9.043 737 HD1 TYR 102 HD1 TYR 102 0.800 -6.359 7.516 738 HD2 TYR 102 HD2 TYR 102 2.190 -9.507 9.992 739 HE1 TYR 102 HE1 TYR 102 2.968 -5.297 7.565 740 HE2 TYR 102 HE2 TYR 102 4.412 -8.439 10.100 741 HH TYR 102 HH TYR 102 5.009 -5.359 9.378 742 H GLN 103 H GLN 103 -2.115 -9.795 8.786 743 HA GLN 103 HA GLN 103 -2.674 -12.076 7.335 744 1HB GLN 103 2HB GLN 103 -4.304 -12.658 8.921 745 2HB GLN 103 1HB GLN 103 -3.060 -11.780 9.785 746 1HG GLN 103 2HG GLN 103 -5.701 -10.656 8.897 747 2HG GLN 103 1HG GLN 103 -5.304 -11.205 10.520 748 1HE2 GLN 103 1HE2 GLN 103 -4.479 -8.941 8.036 749 2HE2 GLN 103 2HE2 GLN 103 -3.908 -7.673 9.084 750 H VAL 104 H VAL 104 -3.412 -12.154 5.363 751 HA VAL 104 HA VAL 104 -5.426 -10.336 4.402 752 HB VAL 104 HB VAL 104 -4.243 -12.805 3.111 753 1HG1 VAL 104 1HG1 VAL 104 -5.131 -11.884 1.014 754 2HG1 VAL 104 2HG1 VAL 104 -5.911 -10.592 1.925 755 3HG1 VAL 104 3HG1 VAL 104 -6.413 -12.266 2.162 756 1HG2 VAL 104 1HG2 VAL 104 -3.606 -9.904 2.596 757 2HG2 VAL 104 2HG2 VAL 104 -2.813 -11.313 1.888 758 3HG2 VAL 104 3HG2 VAL 104 -2.635 -10.970 3.611 759 H SER 105 H SER 105 -7.497 -10.576 4.884 760 HA SER 105 HA SER 105 -8.491 -13.181 5.716 761 1HB SER 105 2HB SER 105 -9.858 -10.479 5.771 762 2HB SER 105 1HB SER 105 -10.410 -11.952 6.573 763 HG SER 105 HG SER 105 -7.830 -10.976 7.102 764 H THR 106 H THR 106 -9.027 -14.436 4.055 765 HA THR 106 HA THR 106 -11.300 -13.817 2.480 766 HB THR 106 HB THR 106 -9.737 -12.528 1.128 767 HG1 THR 106 HG1 THR 106 -11.204 -14.564 0.226 768 1HG2 THR 106 1HG2 THR 106 -7.649 -13.633 1.721 769 2HG2 THR 106 2HG2 THR 106 -7.851 -13.597 -0.031 770 3HG2 THR 106 3HG2 THR 106 -8.155 -15.087 0.864 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -13.825 15.447 10.616 2 2H ALA 1 2H ALA 1 -12.822 15.607 9.253 3 3H ALA 1 3H ALA 1 -12.625 16.646 10.577 4 HA ALA 1 HA ALA 1 -12.003 14.758 11.966 5 1HB ALA 1 1HB ALA 1 -11.607 12.612 11.014 6 2HB ALA 1 2HB ALA 1 -11.911 13.210 9.386 7 3HB ALA 1 3HB ALA 1 -13.237 13.096 10.544 8 H SER 2 H SER 2 -9.750 13.958 11.972 9 HA SER 2 HA SER 2 -8.066 15.836 10.471 10 1HB SER 2 2HB SER 2 -7.432 14.166 12.920 11 2HB SER 2 1HB SER 2 -6.368 15.370 12.186 12 HG SER 2 HG SER 2 -8.668 16.571 12.585 13 H ILE 3 H ILE 3 -7.161 15.074 8.704 14 HA ILE 3 HA ILE 3 -7.101 12.246 8.197 15 HB ILE 3 HB ILE 3 -5.998 14.453 6.461 16 1HG1 ILE 3 2HG1 ILE 3 -8.363 14.869 6.971 17 2HG1 ILE 3 1HG1 ILE 3 -8.162 14.385 5.291 18 1HG2 ILE 3 1HG2 ILE 3 -6.883 11.646 5.816 19 2HG2 ILE 3 2HG2 ILE 3 -5.217 12.222 5.875 20 3HG2 ILE 3 3HG2 ILE 3 -6.323 12.846 4.650 21 1HD1 ILE 3 1HD1 ILE 3 -10.114 13.343 6.294 22 2HD1 ILE 3 2HD1 ILE 3 -9.099 12.610 7.536 23 3HD1 ILE 3 3HD1 ILE 3 -8.911 12.133 5.848 24 HA PRO 4 HA PRO 4 -2.423 12.678 8.547 25 1HB PRO 4 2HB PRO 4 -1.334 15.212 8.841 26 2HB PRO 4 1HB PRO 4 -1.496 14.336 7.320 27 1HG PRO 4 2HG PRO 4 -2.850 16.718 8.102 28 2HG PRO 4 1HG PRO 4 -3.084 15.782 6.618 29 1HD PRO 4 2HD PRO 4 -4.681 15.803 9.112 30 2HD PRO 4 1HD PRO 4 -5.171 15.387 7.457 31 H SER 5 H SER 5 -1.299 12.230 10.364 32 HA SER 5 HA SER 5 -1.482 13.950 12.686 33 1HB SER 5 2HB SER 5 -3.448 12.441 12.904 34 2HB SER 5 1HB SER 5 -2.369 11.051 12.844 35 HG SER 5 HG SER 5 -2.855 12.855 14.898 36 H SER 6 H SER 6 -0.587 10.539 12.150 37 HA SER 6 HA SER 6 2.183 11.253 12.841 38 1HB SER 6 2HB SER 6 0.710 8.711 13.542 39 2HB SER 6 1HB SER 6 2.344 9.149 14.050 40 HG SER 6 HG SER 6 -0.075 9.871 15.095 41 H ALA 7 H ALA 7 0.064 8.943 11.159 42 HA ALA 7 HA ALA 7 2.282 7.865 9.641 43 1HB ALA 7 1HB ALA 7 0.889 6.126 9.991 44 2HB ALA 7 2HB ALA 7 0.068 6.766 8.569 45 3HB ALA 7 3HB ALA 7 -0.522 7.165 10.174 46 H SER 8 H SER 8 2.729 8.330 7.561 47 HA SER 8 HA SER 8 1.487 10.643 6.376 48 1HB SER 8 2HB SER 8 3.666 8.843 5.283 49 2HB SER 8 1HB SER 8 3.223 10.432 4.664 50 HG SER 8 HG SER 8 4.111 11.389 6.385 51 H VAL 9 H VAL 9 1.032 7.284 6.251 52 HA VAL 9 HA VAL 9 -0.766 7.548 3.983 53 HB VAL 9 HB VAL 9 1.140 6.836 2.799 54 1HG1 VAL 9 1HG1 VAL 9 2.367 4.738 3.608 55 2HG1 VAL 9 2HG1 VAL 9 1.665 5.117 5.182 56 3HG1 VAL 9 3HG1 VAL 9 2.724 6.279 4.379 57 1HG2 VAL 9 1HG2 VAL 9 -0.803 5.484 2.231 58 2HG2 VAL 9 2HG2 VAL 9 -0.390 4.332 3.500 59 3HG2 VAL 9 3HG2 VAL 9 0.674 4.528 2.109 60 H GLN 10 H GLN 10 -2.372 6.011 3.912 61 HA GLN 10 HA GLN 10 -2.486 3.956 5.983 62 1HB GLN 10 2HB GLN 10 -3.640 5.883 6.968 63 2HB GLN 10 1HB GLN 10 -4.630 6.049 5.526 64 1HG GLN 10 2HG GLN 10 -5.562 3.786 5.992 65 2HG GLN 10 1HG GLN 10 -4.680 3.794 7.519 66 1HE2 GLN 10 1HE2 GLN 10 -5.114 6.693 7.853 67 2HE2 GLN 10 2HE2 GLN 10 -6.759 6.859 8.352 68 H LEU 11 H LEU 11 -3.237 2.089 5.102 69 HA LEU 11 HA LEU 11 -4.071 1.991 2.391 70 1HB LEU 11 2HB LEU 11 -2.970 0.109 3.516 71 2HB LEU 11 1HB LEU 11 -4.364 -0.078 4.563 72 HG LEU 11 HG LEU 11 -5.749 -0.575 2.527 73 1HD1 LEU 11 1HD1 LEU 11 -4.566 -1.204 0.483 74 2HD1 LEU 11 2HD1 LEU 11 -3.050 -0.633 1.182 75 3HD1 LEU 11 3HD1 LEU 11 -4.357 0.507 0.862 76 1HD2 LEU 11 1HD2 LEU 11 -4.754 -2.848 2.223 77 2HD2 LEU 11 2HD2 LEU 11 -4.982 -2.375 3.905 78 3HD2 LEU 11 3HD2 LEU 11 -3.374 -2.317 3.184 79 H ASP 12 H ASP 12 -6.015 2.056 1.507 80 HA ASP 12 HA ASP 12 -8.238 2.886 3.132 81 1HB ASP 12 2HB ASP 12 -7.770 3.865 0.902 82 2HB ASP 12 1HB ASP 12 -8.133 2.326 0.162 83 H SER 13 H SER 13 -7.742 0.300 0.759 84 HA SER 13 HA SER 13 -8.976 -1.748 2.237 85 1HB SER 13 2HB SER 13 -11.159 -1.885 0.996 86 2HB SER 13 1HB SER 13 -11.034 -0.511 2.094 87 HG SER 13 HG SER 13 -10.653 0.839 0.344 88 H TYR 14 H TYR 14 -9.502 -3.640 1.009 89 HA TYR 14 HA TYR 14 -8.712 -3.883 -1.751 90 1HB TYR 14 2HB TYR 14 -6.937 -5.547 -1.280 91 2HB TYR 14 1HB TYR 14 -6.510 -3.937 -0.713 92 HD1 TYR 14 HD1 TYR 14 -7.435 -7.314 0.298 93 HD2 TYR 14 HD2 TYR 14 -6.306 -3.471 1.648 94 HE1 TYR 14 HE1 TYR 14 -6.946 -8.263 2.505 95 HE2 TYR 14 HE2 TYR 14 -5.821 -4.384 3.879 96 HH TYR 14 HH TYR 14 -5.590 -7.723 4.485 97 H ASN 15 H ASN 15 -9.060 -6.140 -2.487 98 HA ASN 15 HA ASN 15 -10.538 -7.852 -0.660 99 1HB ASN 15 2HB ASN 15 -12.256 -6.362 -1.679 100 2HB ASN 15 1HB ASN 15 -11.768 -6.933 -3.266 101 1HD2 ASN 15 1HD2 ASN 15 -13.814 -7.724 -3.711 102 2HD2 ASN 15 2HD2 ASN 15 -14.419 -9.175 -2.978 103 H TYR 16 H TYR 16 -11.014 -9.933 -1.622 104 HA TYR 16 HA TYR 16 -9.106 -10.690 -3.734 105 1HB TYR 16 2HB TYR 16 -8.493 -11.395 -1.317 106 2HB TYR 16 1HB TYR 16 -9.862 -12.487 -1.452 107 HD1 TYR 16 HD1 TYR 16 -6.609 -11.659 -3.022 108 HD2 TYR 16 HD2 TYR 16 -9.639 -14.585 -2.465 109 HE1 TYR 16 HE1 TYR 16 -5.163 -13.341 -4.075 110 HE2 TYR 16 HE2 TYR 16 -8.204 -16.279 -3.524 111 HH TYR 16 HH TYR 16 -4.896 -15.786 -4.095 112 H ASP 17 H ASP 17 -9.850 -12.243 -5.152 113 HA ASP 17 HA ASP 17 -12.415 -13.468 -4.867 114 1HB ASP 17 2HB ASP 17 -13.016 -11.093 -5.455 115 2HB ASP 17 1HB ASP 17 -12.175 -11.320 -6.984 116 H GLY 18 H GLY 18 -12.394 -15.320 -6.014 117 1HA GLY 18 2HA GLY 18 -11.415 -17.021 -7.229 118 2HA GLY 18 1HA GLY 18 -11.064 -15.789 -8.439 119 H SER 19 H SER 19 -8.983 -15.313 -8.798 120 HA SER 19 HA SER 19 -7.244 -15.210 -6.445 121 1HB SER 19 2HB SER 19 -6.737 -17.255 -7.832 122 2HB SER 19 1HB SER 19 -6.396 -16.181 -9.188 123 HG SER 19 HG SER 19 -4.694 -15.283 -7.968 124 H THR 20 H THR 20 -7.929 -13.029 -6.517 125 HA THR 20 HA THR 20 -6.272 -11.390 -8.244 126 HB THR 20 HB THR 20 -9.250 -10.881 -7.970 127 HG1 THR 20 HG1 THR 20 -7.899 -12.435 -9.686 128 1HG2 THR 20 1HG2 THR 20 -7.887 -8.829 -8.102 129 2HG2 THR 20 2HG2 THR 20 -8.872 -9.058 -9.548 130 3HG2 THR 20 3HG2 THR 20 -7.148 -9.429 -9.589 131 H PHE 21 H PHE 21 -5.553 -9.549 -7.188 132 HA PHE 21 HA PHE 21 -6.815 -8.953 -4.591 133 1HB PHE 21 2HB PHE 21 -4.431 -10.156 -4.685 134 2HB PHE 21 1HB PHE 21 -3.892 -8.494 -4.909 135 HD1 PHE 21 HD1 PHE 21 -3.255 -7.415 -3.025 136 HD2 PHE 21 HD2 PHE 21 -6.328 -10.325 -2.770 137 HE1 PHE 21 HE1 PHE 21 -3.421 -7.024 -0.603 138 HE2 PHE 21 HE2 PHE 21 -6.492 -9.957 -0.346 139 HZ PHE 21 HZ PHE 21 -5.035 -8.302 0.741 140 H SER 22 H SER 22 -7.727 -7.127 -4.803 141 HA SER 22 HA SER 22 -6.406 -4.948 -6.234 142 1HB SER 22 2HB SER 22 -8.634 -4.413 -7.326 143 2HB SER 22 1HB SER 22 -7.839 -5.881 -7.922 144 HG SER 22 HG SER 22 -9.647 -6.098 -5.791 145 H GLY 23 H GLY 23 -7.047 -2.878 -5.574 146 1HA GLY 23 2HA GLY 23 -9.127 -2.372 -3.747 147 2HA GLY 23 1HA GLY 23 -7.635 -2.626 -2.851 148 H LYS 24 H LYS 24 -7.351 -0.570 -2.131 149 HA LYS 24 HA LYS 24 -6.266 1.323 -3.959 150 1HB LYS 24 2HB LYS 24 -8.001 3.102 -3.396 151 2HB LYS 24 1HB LYS 24 -8.460 1.856 -4.557 152 1HG LYS 24 2HG LYS 24 -9.503 0.642 -2.560 153 2HG LYS 24 1HG LYS 24 -9.305 2.169 -1.698 154 1HD LYS 24 2HD LYS 24 -10.685 2.061 -4.360 155 2HD LYS 24 1HD LYS 24 -11.558 1.696 -2.871 156 1HE LYS 24 2HE LYS 24 -9.950 4.204 -3.107 157 2HE LYS 24 1HE LYS 24 -11.568 4.113 -3.804 158 1HZ LYS 24 1HZ LYS 24 -11.433 4.986 -1.466 159 2HZ LYS 24 2HZ LYS 24 -11.009 3.421 -0.973 160 3HZ LYS 24 3HZ LYS 24 -12.511 3.705 -1.702 161 H ILE 25 H ILE 25 -5.946 3.518 -2.741 162 HA ILE 25 HA ILE 25 -5.034 2.879 -0.026 163 HB ILE 25 HB ILE 25 -3.107 4.051 -2.023 164 1HG1 ILE 25 2HG1 ILE 25 -3.386 1.119 -1.306 165 2HG1 ILE 25 1HG1 ILE 25 -3.801 1.827 -2.862 166 1HG2 ILE 25 1HG2 ILE 25 -2.606 4.349 0.349 167 2HG2 ILE 25 2HG2 ILE 25 -1.433 3.276 -0.414 168 3HG2 ILE 25 3HG2 ILE 25 -2.712 2.607 0.599 169 1HD1 ILE 25 1HD1 ILE 25 -1.057 1.700 -1.638 170 2HD1 ILE 25 2HD1 ILE 25 -1.455 2.459 -3.181 171 3HD1 ILE 25 3HD1 ILE 25 -1.661 0.720 -2.973 172 H TYR 26 H TYR 26 -4.245 4.749 1.134 173 HA TYR 26 HA TYR 26 -5.268 7.333 0.155 174 1HB TYR 26 2HB TYR 26 -6.795 5.970 1.724 175 2HB TYR 26 1HB TYR 26 -5.596 6.278 2.968 176 HD1 TYR 26 HD1 TYR 26 -4.974 8.886 3.166 177 HD2 TYR 26 HD2 TYR 26 -8.630 7.315 1.674 178 HE1 TYR 26 HE1 TYR 26 -6.121 10.982 3.771 179 HE2 TYR 26 HE2 TYR 26 -9.784 9.406 2.256 180 HH TYR 26 HH TYR 26 -9.445 11.281 3.918 181 H VAL 27 H VAL 27 -3.210 8.372 -0.075 182 HA VAL 27 HA VAL 27 -1.515 8.351 2.320 183 HB VAL 27 HB VAL 27 0.148 7.163 1.491 184 1HG1 VAL 27 1HG1 VAL 27 -1.781 6.775 -0.730 185 2HG1 VAL 27 2HG1 VAL 27 -1.184 5.636 0.476 186 3HG1 VAL 27 3HG1 VAL 27 -0.152 6.119 -0.861 187 1HG2 VAL 27 1HG2 VAL 27 0.106 8.944 -0.926 188 2HG2 VAL 27 2HG2 VAL 27 1.304 7.691 -0.626 189 3HG2 VAL 27 3HG2 VAL 27 1.164 9.057 0.482 190 H LYS 28 H LYS 28 -0.106 10.052 2.577 191 HA LYS 28 HA LYS 28 -0.776 12.451 1.026 192 1HB LYS 28 2HB LYS 28 -1.068 12.554 3.462 193 2HB LYS 28 1HB LYS 28 0.612 12.099 3.691 194 1HG LYS 28 2HG LYS 28 1.383 14.173 2.842 195 2HG LYS 28 1HG LYS 28 -0.227 14.606 2.267 196 1HD LYS 28 2HD LYS 28 0.140 15.840 4.265 197 2HD LYS 28 1HD LYS 28 -0.990 14.549 4.664 198 1HE LYS 28 2HE LYS 28 1.981 14.418 5.171 199 2HE LYS 28 1HE LYS 28 0.803 14.948 6.365 200 1HZ LYS 28 1HZ LYS 28 1.356 12.655 6.726 201 2HZ LYS 28 2HZ LYS 28 0.970 12.255 5.128 202 3HZ LYS 28 3HZ LYS 28 -0.250 12.742 6.191 203 H ASN 29 H ASN 29 0.715 13.477 -0.198 204 HA ASN 29 HA ASN 29 3.220 12.081 -0.658 205 1HB ASN 29 2HB ASN 29 1.796 14.319 -2.097 206 2HB ASN 29 1HB ASN 29 3.424 13.790 -2.541 207 1HD2 ASN 29 1HD2 ASN 29 0.887 13.697 -4.027 208 2HD2 ASN 29 2HD2 ASN 29 0.676 12.044 -4.488 209 H ILE 30 H ILE 30 4.990 12.593 0.381 210 HA ILE 30 HA ILE 30 5.505 14.978 1.808 211 HB ILE 30 HB ILE 30 7.589 13.178 0.553 212 1HG1 ILE 30 2HG1 ILE 30 6.057 11.751 1.775 213 2HG1 ILE 30 1HG1 ILE 30 7.560 11.897 2.676 214 1HG2 ILE 30 1HG2 ILE 30 8.837 13.859 2.664 215 2HG2 ILE 30 2HG2 ILE 30 7.607 15.113 2.830 216 3HG2 ILE 30 3HG2 ILE 30 8.638 15.076 1.404 217 1HD1 ILE 30 1HD1 ILE 30 5.498 11.976 4.053 218 2HD1 ILE 30 2HD1 ILE 30 5.092 13.504 3.269 219 3HD1 ILE 30 3HD1 ILE 30 6.554 13.375 4.245 220 H ALA 31 H ALA 31 6.431 13.813 -1.322 221 HA ALA 31 HA ALA 31 6.509 16.495 -2.414 222 1HB ALA 31 1HB ALA 31 8.858 15.955 -2.150 223 2HB ALA 31 2HB ALA 31 8.439 15.780 -3.853 224 3HB ALA 31 3HB ALA 31 8.604 14.351 -2.837 225 H TYR 32 H TYR 32 5.759 16.410 -4.658 226 HA TYR 32 HA TYR 32 3.537 14.720 -4.642 227 1HB TYR 32 2HB TYR 32 3.651 16.947 -5.653 228 2HB TYR 32 1HB TYR 32 4.587 16.278 -6.990 229 HD1 TYR 32 HD1 TYR 32 1.420 15.587 -5.155 230 HD2 TYR 32 HD2 TYR 32 3.412 15.694 -8.907 231 HE1 TYR 32 HE1 TYR 32 -0.664 14.933 -6.268 232 HE2 TYR 32 HE2 TYR 32 1.325 15.035 -10.038 233 HH TYR 32 HH TYR 32 -1.661 14.485 -8.166 234 H SER 33 H SER 33 6.510 14.443 -6.590 235 HA SER 33 HA SER 33 5.448 12.185 -8.026 236 1HB SER 33 2HB SER 33 8.273 13.272 -7.927 237 2HB SER 33 1HB SER 33 7.666 12.068 -9.078 238 HG SER 33 HG SER 33 7.708 14.329 -9.809 239 H LYS 34 H LYS 34 4.953 11.086 -5.863 240 HA LYS 34 HA LYS 34 7.220 9.716 -4.646 241 1HB LYS 34 2HB LYS 34 4.241 9.475 -4.186 242 2HB LYS 34 1HB LYS 34 5.482 8.674 -3.236 243 1HG LYS 34 2HG LYS 34 5.248 11.644 -3.536 244 2HG LYS 34 1HG LYS 34 4.511 10.733 -2.225 245 1HD LYS 34 2HD LYS 34 6.620 11.740 -1.537 246 2HD LYS 34 1HD LYS 34 6.707 9.985 -1.481 247 1HE LYS 34 2HE LYS 34 8.763 10.825 -2.382 248 2HE LYS 34 1HE LYS 34 7.870 10.042 -3.680 249 1HZ LYS 34 1HZ LYS 34 7.084 12.300 -4.324 250 2HZ LYS 34 2HZ LYS 34 8.746 12.053 -4.526 251 3HZ LYS 34 3HZ LYS 34 8.178 12.950 -3.213 252 H LYS 35 H LYS 35 6.466 7.262 -4.148 253 HA LYS 35 HA LYS 35 5.508 5.974 -6.575 254 1HB LYS 35 2HB LYS 35 7.536 4.481 -6.633 255 2HB LYS 35 1HB LYS 35 7.833 6.145 -7.120 256 1HG LYS 35 2HG LYS 35 8.577 6.557 -4.741 257 2HG LYS 35 1HG LYS 35 8.555 4.806 -4.543 258 1HD LYS 35 2HD LYS 35 10.159 6.291 -6.621 259 2HD LYS 35 1HD LYS 35 10.798 5.711 -5.085 260 1HE LYS 35 2HE LYS 35 10.091 3.402 -5.788 261 2HE LYS 35 1HE LYS 35 9.738 4.076 -7.381 262 1HZ LYS 35 1HZ LYS 35 12.069 4.834 -7.484 263 2HZ LYS 35 2HZ LYS 35 11.936 3.148 -7.385 264 3HZ LYS 35 3HZ LYS 35 12.378 4.044 -6.017 265 H VAL 36 H VAL 36 4.335 4.224 -6.053 266 HA VAL 36 HA VAL 36 4.450 3.450 -3.219 267 HB VAL 36 HB VAL 36 1.956 3.789 -4.893 268 1HG1 VAL 36 1HG1 VAL 36 0.717 3.118 -3.031 269 2HG1 VAL 36 2HG1 VAL 36 2.094 3.245 -1.966 270 3HG1 VAL 36 3HG1 VAL 36 2.008 1.924 -3.133 271 1HG2 VAL 36 1HG2 VAL 36 3.104 5.849 -4.089 272 2HG2 VAL 36 2HG2 VAL 36 2.840 5.295 -2.444 273 3HG2 VAL 36 3HG2 VAL 36 1.465 5.648 -3.491 274 H THR 37 H THR 37 4.750 1.454 -2.832 275 HA THR 37 HA THR 37 4.288 -0.487 -4.979 276 HB THR 37 HB THR 37 6.438 -1.546 -4.356 277 HG1 THR 37 HG1 THR 37 6.272 -0.112 -2.238 278 1HG2 THR 37 1HG2 THR 37 6.117 0.387 -6.106 279 2HG2 THR 37 2HG2 THR 37 7.736 -0.173 -5.688 280 3HG2 THR 37 3HG2 THR 37 7.098 1.303 -4.962 281 H VAL 38 H VAL 38 2.934 -1.969 -4.301 282 HA VAL 38 HA VAL 38 2.566 -2.519 -1.486 283 HB VAL 38 HB VAL 38 1.242 -3.518 -3.991 284 1HG1 VAL 38 1HG1 VAL 38 -0.192 -4.957 -2.656 285 2HG1 VAL 38 2HG1 VAL 38 0.714 -4.543 -1.199 286 3HG1 VAL 38 3HG1 VAL 38 1.493 -5.457 -2.490 287 1HG2 VAL 38 1HG2 VAL 38 -0.726 -2.703 -2.484 288 2HG2 VAL 38 2HG2 VAL 38 0.233 -1.557 -3.411 289 3HG2 VAL 38 3HG2 VAL 38 0.542 -1.782 -1.689 290 H VAL 39 H VAL 39 3.462 -4.101 -0.393 291 HA VAL 39 HA VAL 39 4.783 -6.243 -1.931 292 HB VAL 39 HB VAL 39 6.478 -6.429 -0.100 293 1HG1 VAL 39 1HG1 VAL 39 6.334 -3.920 -1.745 294 2HG1 VAL 39 2HG1 VAL 39 7.145 -5.434 -2.145 295 3HG1 VAL 39 3HG1 VAL 39 7.774 -4.410 -0.853 296 1HG2 VAL 39 1HG2 VAL 39 5.384 -5.283 1.696 297 2HG2 VAL 39 2HG2 VAL 39 5.281 -3.797 0.753 298 3HG2 VAL 39 3HG2 VAL 39 6.854 -4.394 1.289 299 H TYR 40 H TYR 40 4.131 -8.213 -1.487 300 HA TYR 40 HA TYR 40 2.617 -8.564 0.999 301 1HB TYR 40 2HB TYR 40 1.325 -10.341 -0.194 302 2HB TYR 40 1HB TYR 40 1.055 -8.706 -0.768 303 HD1 TYR 40 HD1 TYR 40 0.770 -8.512 -3.037 304 HD2 TYR 40 HD2 TYR 40 3.389 -11.538 -1.579 305 HE1 TYR 40 HE1 TYR 40 1.146 -9.291 -5.323 306 HE2 TYR 40 HE2 TYR 40 3.795 -12.298 -3.880 307 HH TYR 40 HH TYR 40 3.035 -10.500 -6.572 308 H ALA 41 H ALA 41 2.736 -10.483 2.124 309 HA ALA 41 HA ALA 41 5.251 -11.911 1.876 310 1HB ALA 41 1HB ALA 41 4.311 -11.411 4.107 311 2HB ALA 41 2HB ALA 41 4.568 -13.124 3.859 312 3HB ALA 41 3HB ALA 41 2.944 -12.448 3.750 313 H ASP 42 H ASP 42 4.291 -12.274 -0.322 314 HA ASP 42 HA ASP 42 3.467 -13.726 -1.944 315 1HB ASP 42 2HB ASP 42 5.757 -14.512 -1.009 316 2HB ASP 42 1HB ASP 42 4.843 -15.802 -0.239 317 H GLY 43 H GLY 43 3.141 -16.697 -1.287 318 1HA GLY 43 2HA GLY 43 0.548 -16.464 0.124 319 2HA GLY 43 1HA GLY 43 0.988 -17.771 -0.973 320 H SER 44 H SER 44 3.625 -16.963 0.804 321 HA SER 44 HA SER 44 3.317 -19.434 2.345 322 1HB SER 44 2HB SER 44 5.126 -19.334 0.668 323 2HB SER 44 1HB SER 44 5.799 -17.937 1.517 324 HG SER 44 HG SER 44 5.454 -19.899 3.281 325 H ASP 45 H ASP 45 3.587 -16.051 2.759 326 HA ASP 45 HA ASP 45 3.723 -14.717 4.603 327 1HB ASP 45 2HB ASP 45 2.504 -16.306 5.986 328 2HB ASP 45 1HB ASP 45 3.932 -17.318 6.158 329 H ASN 46 H ASN 46 5.660 -14.725 3.025 330 HA ASN 46 HA ASN 46 8.022 -14.400 4.628 331 1HB ASN 46 2HB ASN 46 8.098 -16.832 3.998 332 2HB ASN 46 1HB ASN 46 8.112 -16.345 2.307 333 1HD2 ASN 46 1HD2 ASN 46 9.903 -16.501 5.261 334 2HD2 ASN 46 2HD2 ASN 46 11.457 -16.109 4.583 335 H TRP 47 H TRP 47 9.414 -12.923 3.677 336 HA TRP 47 HA TRP 47 8.376 -11.726 1.203 337 1HB TRP 47 2HB TRP 47 10.225 -10.342 3.136 338 2HB TRP 47 1HB TRP 47 9.116 -9.623 1.962 339 HD1 TRP 47 HD1 TRP 47 9.054 -11.513 5.295 340 HE1 TRP 47 HE1 TRP 47 6.859 -10.933 6.530 341 HE3 TRP 47 HE3 TRP 47 6.851 -8.700 1.673 342 HZ2 TRP 47 HZ2 TRP 47 4.499 -9.459 5.988 343 HZ3 TRP 47 HZ3 TRP 47 4.654 -7.755 2.087 344 HH2 TRP 47 HH2 TRP 47 3.496 -8.132 4.179 345 H ASN 48 H ASN 48 9.419 -13.248 0.017 346 HA ASN 48 HA ASN 48 12.317 -13.403 -0.026 347 1HB ASN 48 2HB ASN 48 10.750 -15.381 -0.358 348 2HB ASN 48 1HB ASN 48 10.332 -14.688 -1.919 349 1HD2 ASN 48 1HD2 ASN 48 13.483 -14.840 -0.313 350 2HD2 ASN 48 2HD2 ASN 48 14.251 -15.814 -1.539 351 H ASN 49 H ASN 49 13.576 -12.855 -1.877 352 HA ASN 49 HA ASN 49 12.668 -10.567 -3.342 353 1HB ASN 49 2HB ASN 49 14.866 -10.673 -4.474 354 2HB ASN 49 1HB ASN 49 15.015 -10.739 -2.719 355 1HD2 ASN 49 1HD2 ASN 49 16.818 -11.622 -4.877 356 2HD2 ASN 49 2HD2 ASN 49 17.155 -13.291 -4.540 357 H ASN 50 H ASN 50 10.854 -12.392 -3.852 358 HA ASN 50 HA ASN 50 11.395 -13.847 -6.301 359 1HB ASN 50 2HB ASN 50 10.030 -14.927 -4.614 360 2HB ASN 50 1HB ASN 50 8.921 -13.547 -4.559 361 1HD2 ASN 50 1HD2 ASN 50 7.097 -14.613 -5.113 362 2HD2 ASN 50 2HD2 ASN 50 6.842 -15.364 -6.673 363 H GLY 51 H GLY 51 10.219 -10.792 -5.365 364 1HA GLY 51 2HA GLY 51 9.680 -9.070 -6.948 365 2HA GLY 51 1HA GLY 51 9.096 -10.322 -8.046 366 H ASN 52 H ASN 52 8.516 -9.684 -4.630 367 HA ASN 52 HA ASN 52 5.714 -10.377 -5.015 368 1HB ASN 52 2HB ASN 52 7.469 -10.055 -2.578 369 2HB ASN 52 1HB ASN 52 5.733 -10.328 -2.464 370 1HD2 ASN 52 1HD2 ASN 52 6.384 -12.265 -1.306 371 2HD2 ASN 52 2HD2 ASN 52 6.764 -13.690 -2.214 372 H ILE 53 H ILE 53 6.411 -7.943 -6.111 373 HA ILE 53 HA ILE 53 5.087 -6.041 -4.311 374 HB ILE 53 HB ILE 53 7.428 -5.482 -4.371 375 1HG1 ILE 53 2HG1 ILE 53 5.508 -3.685 -4.747 376 2HG1 ILE 53 1HG1 ILE 53 7.204 -3.231 -4.679 377 1HG2 ILE 53 1HG2 ILE 53 7.813 -4.699 -7.082 378 2HG2 ILE 53 2HG2 ILE 53 7.294 -6.384 -7.025 379 3HG2 ILE 53 3HG2 ILE 53 8.720 -5.871 -6.121 380 1HD1 ILE 53 1HD1 ILE 53 5.536 -3.618 -7.158 381 2HD1 ILE 53 2HD1 ILE 53 7.262 -3.261 -7.148 382 3HD1 ILE 53 3HD1 ILE 53 6.116 -2.088 -6.495 383 H ILE 54 H ILE 54 3.617 -4.694 -5.207 384 HA ILE 54 HA ILE 54 3.227 -4.827 -8.122 385 HB ILE 54 HB ILE 54 1.471 -6.130 -6.754 386 1HG1 ILE 54 2HG1 ILE 54 -0.402 -5.134 -8.193 387 2HG1 ILE 54 1HG1 ILE 54 0.826 -4.010 -8.781 388 1HG2 ILE 54 1HG2 ILE 54 0.395 -3.362 -6.219 389 2HG2 ILE 54 2HG2 ILE 54 1.144 -4.407 -5.010 390 3HG2 ILE 54 3HG2 ILE 54 -0.354 -4.904 -5.797 391 1HD1 ILE 54 1HD1 ILE 54 1.062 -7.006 -8.898 392 2HD1 ILE 54 2HD1 ILE 54 2.145 -5.820 -9.634 393 3HD1 ILE 54 3HD1 ILE 54 0.495 -5.993 -10.231 394 H ALA 55 H ALA 55 2.911 -2.858 -9.099 395 HA ALA 55 HA ALA 55 3.439 -0.559 -7.425 396 1HB ALA 55 1HB ALA 55 4.599 -0.852 -9.588 397 2HB ALA 55 2HB ALA 55 3.739 0.684 -9.458 398 3HB ALA 55 3HB ALA 55 3.055 -0.636 -10.413 399 H ALA 56 H ALA 56 2.020 0.923 -6.807 400 HA ALA 56 HA ALA 56 -0.780 0.559 -7.537 401 1HB ALA 56 1HB ALA 56 -1.264 2.043 -5.675 402 2HB ALA 56 2HB ALA 56 0.456 2.368 -5.465 403 3HB ALA 56 3HB ALA 56 -0.179 0.751 -5.162 404 H SER 57 H SER 57 -2.094 2.504 -7.979 405 HA SER 57 HA SER 57 -0.589 4.599 -9.372 406 1HB SER 57 2HB SER 57 -1.511 2.921 -10.993 407 2HB SER 57 1HB SER 57 -3.125 3.297 -10.394 408 HG SER 57 HG SER 57 -3.135 5.057 -11.539 409 H PHE 58 H PHE 58 -1.376 6.622 -9.026 410 HA PHE 58 HA PHE 58 -3.580 6.880 -7.233 411 1HB PHE 58 2HB PHE 58 -2.938 9.169 -6.906 412 2HB PHE 58 1HB PHE 58 -1.528 8.129 -6.733 413 HD1 PHE 58 HD1 PHE 58 -3.260 10.465 -8.945 414 HD2 PHE 58 HD2 PHE 58 0.351 8.372 -8.164 415 HE1 PHE 58 HE1 PHE 58 -2.135 11.802 -10.617 416 HE2 PHE 58 HE2 PHE 58 1.510 9.734 -9.859 417 HZ PHE 58 HZ PHE 58 0.264 11.466 -11.097 418 H SER 59 H SER 59 -5.450 7.951 -7.631 419 HA SER 59 HA SER 59 -6.092 8.285 -10.462 420 1HB SER 59 2HB SER 59 -7.908 8.291 -8.033 421 2HB SER 59 1HB SER 59 -8.435 8.330 -9.717 422 HG SER 59 HG SER 59 -7.167 6.285 -9.899 423 H GLY 60 H GLY 60 -5.558 10.057 -7.531 424 1HA GLY 60 2HA GLY 60 -4.788 12.382 -8.682 425 2HA GLY 60 1HA GLY 60 -6.539 12.549 -8.635 426 HA PRO 61 HA PRO 61 -4.657 13.809 -4.482 427 1HB PRO 61 2HB PRO 61 -5.614 16.493 -5.193 428 2HB PRO 61 1HB PRO 61 -4.033 15.996 -4.585 429 1HG PRO 61 2HG PRO 61 -4.395 16.824 -7.123 430 2HG PRO 61 1HG PRO 61 -3.203 15.586 -6.690 431 1HD PRO 61 2HD PRO 61 -5.921 15.260 -7.901 432 2HD PRO 61 1HD PRO 61 -4.409 14.406 -8.275 433 H ILE 62 H ILE 62 -5.984 14.064 -2.686 434 HA ILE 62 HA ILE 62 -8.830 13.821 -3.208 435 HB ILE 62 HB ILE 62 -7.448 13.866 -0.518 436 1HG1 ILE 62 2HG1 ILE 62 -8.126 11.511 -2.294 437 2HG1 ILE 62 1HG1 ILE 62 -6.509 12.072 -1.894 438 1HG2 ILE 62 1HG2 ILE 62 -10.077 12.609 -1.296 439 2HG2 ILE 62 2HG2 ILE 62 -9.933 14.235 -0.630 440 3HG2 ILE 62 3HG2 ILE 62 -9.427 12.850 0.328 441 1HD1 ILE 62 1HD1 ILE 62 -6.958 11.565 0.469 442 2HD1 ILE 62 2HD1 ILE 62 -7.017 10.166 -0.590 443 3HD1 ILE 62 3HD1 ILE 62 -8.514 10.885 -0.009 444 H SER 63 H SER 63 -9.574 15.771 -3.851 445 HA SER 63 HA SER 63 -8.811 18.272 -2.914 446 1HB SER 63 2HB SER 63 -11.484 17.427 -4.052 447 2HB SER 63 1HB SER 63 -10.894 19.086 -3.938 448 HG SER 63 HG SER 63 -9.095 18.385 -5.260 449 H GLY 64 H GLY 64 -9.223 19.401 -1.141 450 1HA GLY 64 2HA GLY 64 -10.520 20.151 0.683 451 2HA GLY 64 1HA GLY 64 -11.526 18.716 0.526 452 H SER 65 H SER 65 -8.347 17.830 0.259 453 HA SER 65 HA SER 65 -7.787 17.667 3.105 454 1HB SER 65 2HB SER 65 -8.027 15.203 1.353 455 2HB SER 65 1HB SER 65 -7.425 15.217 3.012 456 HG SER 65 HG SER 65 -9.821 16.470 2.819 457 H ASN 66 H ASN 66 -5.590 16.436 3.360 458 HA ASN 66 HA ASN 66 -3.751 17.818 1.554 459 1HB ASN 66 2HB ASN 66 -3.148 16.367 4.141 460 2HB ASN 66 1HB ASN 66 -2.061 17.431 3.257 461 1HD2 ASN 66 1HD2 ASN 66 -2.331 19.636 3.400 462 2HD2 ASN 66 2HD2 ASN 66 -3.344 20.372 4.594 463 H TYR 67 H TYR 67 -5.156 14.940 1.386 464 HA TYR 67 HA TYR 67 -2.676 13.423 0.950 465 1HB TYR 67 2HB TYR 67 -5.414 12.561 1.829 466 2HB TYR 67 1HB TYR 67 -4.300 11.408 1.102 467 HD1 TYR 67 HD1 TYR 67 -3.733 14.189 3.479 468 HD2 TYR 67 HD2 TYR 67 -3.535 10.011 2.803 469 HE1 TYR 67 HE1 TYR 67 -2.667 13.898 5.680 470 HE2 TYR 67 HE2 TYR 67 -2.460 9.694 4.993 471 HH TYR 67 HH TYR 67 -2.523 11.734 7.389 472 H GLU 68 H GLU 68 -2.832 11.697 -0.632 473 HA GLU 68 HA GLU 68 -4.327 12.561 -3.012 474 1HB GLU 68 2HB GLU 68 -1.804 12.537 -3.143 475 2HB GLU 68 1HB GLU 68 -1.873 10.796 -2.936 476 1HG GLU 68 2HG GLU 68 -2.362 10.460 -5.075 477 2HG GLU 68 1HG GLU 68 -3.606 11.711 -5.068 478 H TYR 69 H TYR 69 -4.605 10.416 -4.512 479 HA TYR 69 HA TYR 69 -6.157 8.631 -2.775 480 1HB TYR 69 2HB TYR 69 -7.442 10.666 -3.775 481 2HB TYR 69 1HB TYR 69 -7.322 9.791 -5.296 482 HD1 TYR 69 HD1 TYR 69 -7.627 7.854 -2.246 483 HD2 TYR 69 HD2 TYR 69 -9.785 9.753 -5.380 484 HE1 TYR 69 HE1 TYR 69 -9.641 6.605 -1.611 485 HE2 TYR 69 HE2 TYR 69 -11.803 8.494 -4.763 486 HH TYR 69 HH TYR 69 -12.113 6.851 -1.848 487 H TRP 70 H TRP 70 -5.543 6.654 -3.241 488 HA TRP 70 HA TRP 70 -4.352 6.190 -5.886 489 1HB TRP 70 2HB TRP 70 -3.649 4.790 -3.307 490 2HB TRP 70 1HB TRP 70 -2.741 4.796 -4.814 491 HD1 TRP 70 HD1 TRP 70 -3.780 7.368 -2.111 492 HE1 TRP 70 HE1 TRP 70 -1.867 9.058 -1.923 493 HE3 TRP 70 HE3 TRP 70 -0.810 5.697 -5.666 494 HZ2 TRP 70 HZ2 TRP 70 0.591 9.620 -3.076 495 HZ3 TRP 70 HZ3 TRP 70 1.374 6.749 -6.119 496 HH2 TRP 70 HH2 TRP 70 2.038 8.730 -4.837 497 H THR 71 H THR 71 -4.763 4.277 -6.914 498 HA THR 71 HA THR 71 -6.535 2.328 -5.633 499 HB THR 71 HB THR 71 -7.695 2.118 -7.918 500 HG1 THR 71 HG1 THR 71 -7.305 4.807 -8.389 501 1HG2 THR 71 1HG2 THR 71 -8.123 4.497 -6.120 502 2HG2 THR 71 2HG2 THR 71 -8.942 2.936 -6.061 503 3HG2 THR 71 3HG2 THR 71 -9.243 4.041 -7.404 504 H PHE 72 H PHE 72 -5.924 0.216 -6.116 505 HA PHE 72 HA PHE 72 -4.117 -0.072 -8.372 506 1HB PHE 72 2HB PHE 72 -2.413 -1.222 -7.231 507 2HB PHE 72 1HB PHE 72 -2.777 0.170 -6.221 508 HD1 PHE 72 HD1 PHE 72 -4.394 -0.217 -4.301 509 HD2 PHE 72 HD2 PHE 72 -2.395 -3.357 -6.315 510 HE1 PHE 72 HE1 PHE 72 -4.759 -1.678 -2.349 511 HE2 PHE 72 HE2 PHE 72 -2.749 -4.840 -4.382 512 HZ PHE 72 HZ PHE 72 -3.934 -4.000 -2.392 513 H SER 73 H SER 73 -4.037 -1.980 -9.329 514 HA SER 73 HA SER 73 -5.843 -4.082 -8.385 515 1HB SER 73 2HB SER 73 -6.062 -4.552 -10.949 516 2HB SER 73 1HB SER 73 -7.043 -3.282 -10.215 517 HG SER 73 HG SER 73 -5.039 -3.095 -12.082 518 H ALA 74 H ALA 74 -5.107 -6.177 -8.685 519 HA ALA 74 HA ALA 74 -2.460 -6.586 -9.804 520 1HB ALA 74 1HB ALA 74 -1.700 -7.633 -7.609 521 2HB ALA 74 2HB ALA 74 -3.062 -6.796 -6.866 522 3HB ALA 74 3HB ALA 74 -1.786 -5.873 -7.657 523 H SER 75 H SER 75 -2.831 -8.300 -11.054 524 HA SER 75 HA SER 75 -4.564 -10.449 -10.232 525 1HB SER 75 2HB SER 75 -4.190 -9.854 -12.636 526 2HB SER 75 1HB SER 75 -2.515 -10.376 -12.468 527 HG SER 75 HG SER 75 -3.920 -11.991 -13.347 528 H VAL 76 H VAL 76 -3.890 -11.470 -8.444 529 HA VAL 76 HA VAL 76 -1.014 -11.975 -8.135 530 HB VAL 76 HB VAL 76 -1.409 -12.254 -5.767 531 1HG1 VAL 76 1HG1 VAL 76 -2.372 -10.020 -5.181 532 2HG1 VAL 76 2HG1 VAL 76 -2.802 -9.835 -6.872 533 3HG1 VAL 76 3HG1 VAL 76 -1.106 -9.974 -6.414 534 1HG2 VAL 76 1HG2 VAL 76 -3.581 -12.087 -4.746 535 2HG2 VAL 76 2HG2 VAL 76 -3.589 -13.364 -5.952 536 3HG2 VAL 76 3HG2 VAL 76 -4.338 -11.816 -6.317 537 H LYS 77 H LYS 77 -0.234 -14.008 -7.646 538 HA LYS 77 HA LYS 77 -1.756 -16.294 -8.494 539 1HB LYS 77 2HB LYS 77 0.238 -17.553 -7.846 540 2HB LYS 77 1HB LYS 77 0.716 -16.110 -8.740 541 1HG LYS 77 2HG LYS 77 1.208 -14.973 -6.631 542 2HG LYS 77 1HG LYS 77 0.748 -16.425 -5.744 543 1HD LYS 77 2HD LYS 77 2.553 -17.653 -6.905 544 2HD LYS 77 1HD LYS 77 3.028 -16.137 -7.684 545 1HE LYS 77 2HE LYS 77 3.560 -15.138 -5.582 546 2HE LYS 77 1HE LYS 77 2.868 -16.496 -4.697 547 1HZ LYS 77 1HZ LYS 77 5.271 -16.626 -6.439 548 2HZ LYS 77 2HZ LYS 77 4.620 -17.908 -5.540 549 3HZ LYS 77 3HZ LYS 77 5.284 -16.563 -4.741 550 H GLY 78 H GLY 78 -1.263 -14.544 -5.647 551 1HA GLY 78 2HA GLY 78 -3.111 -15.574 -3.980 552 2HA GLY 78 1HA GLY 78 -1.733 -16.652 -3.754 553 H ILE 79 H ILE 79 -2.414 -15.303 -1.583 554 HA ILE 79 HA ILE 79 -0.146 -13.804 -0.984 555 HB ILE 79 HB ILE 79 -0.977 -11.948 -2.085 556 1HG1 ILE 79 2HG1 ILE 79 -1.777 -11.646 0.811 557 2HG1 ILE 79 1HG1 ILE 79 -0.168 -11.413 0.150 558 1HG2 ILE 79 1HG2 ILE 79 -3.598 -11.696 -0.786 559 2HG2 ILE 79 2HG2 ILE 79 -3.447 -13.033 -1.922 560 3HG2 ILE 79 3HG2 ILE 79 -3.122 -11.387 -2.455 561 1HD1 ILE 79 1HD1 ILE 79 -2.580 -9.776 -0.574 562 2HD1 ILE 79 2HD1 ILE 79 -0.942 -9.534 -1.153 563 3HD1 ILE 79 3HD1 ILE 79 -1.313 -9.294 0.553 564 H LYS 80 H LYS 80 0.265 -14.019 0.984 565 HA LYS 80 HA LYS 80 -1.771 -15.116 2.779 566 1HB LYS 80 2HB LYS 80 0.364 -16.369 2.376 567 2HB LYS 80 1HB LYS 80 1.240 -15.026 3.105 568 1HG LYS 80 2HG LYS 80 0.932 -16.876 4.664 569 2HG LYS 80 1HG LYS 80 0.130 -15.406 5.217 570 1HD LYS 80 2HD LYS 80 -1.346 -17.235 5.624 571 2HD LYS 80 1HD LYS 80 -2.002 -16.308 4.277 572 1HE LYS 80 2HE LYS 80 -2.187 -18.680 3.828 573 2HE LYS 80 1HE LYS 80 -1.048 -17.936 2.708 574 1HZ LYS 80 1HZ LYS 80 0.060 -19.059 5.164 575 2HZ LYS 80 2HZ LYS 80 0.687 -19.062 3.586 576 3HZ LYS 80 3HZ LYS 80 -0.521 -20.164 4.017 577 H GLU 81 H GLU 81 0.962 -12.816 2.861 578 HA GLU 81 HA GLU 81 -0.603 -11.206 4.788 579 1HB GLU 81 2HB GLU 81 2.384 -11.508 5.048 580 2HB GLU 81 1HB GLU 81 1.250 -10.852 6.217 581 1HG GLU 81 2HG GLU 81 1.315 -13.742 5.395 582 2HG GLU 81 1HG GLU 81 2.194 -13.095 6.775 583 H PHE 82 H PHE 82 0.489 -8.846 4.920 584 HA PHE 82 HA PHE 82 2.119 -8.062 2.745 585 1HB PHE 82 2HB PHE 82 0.687 -7.972 1.035 586 2HB PHE 82 1HB PHE 82 -0.633 -8.483 2.070 587 HD1 PHE 82 HD1 PHE 82 -2.139 -6.869 3.023 588 HD2 PHE 82 HD2 PHE 82 0.985 -5.659 0.429 589 HE1 PHE 82 HE1 PHE 82 -3.265 -4.707 2.702 590 HE2 PHE 82 HE2 PHE 82 -0.120 -3.485 0.103 591 HZ PHE 82 HZ PHE 82 -2.250 -3.008 1.239 592 H TYR 83 H TYR 83 2.505 -5.805 2.644 593 HA TYR 83 HA TYR 83 0.853 -3.976 4.077 594 1HB TYR 83 2HB TYR 83 2.761 -3.018 5.445 595 2HB TYR 83 1HB TYR 83 2.086 -4.534 6.017 596 HD1 TYR 83 HD1 TYR 83 4.774 -3.488 3.660 597 HD2 TYR 83 HD2 TYR 83 3.629 -5.987 6.886 598 HE1 TYR 83 HE1 TYR 83 7.057 -4.409 3.739 599 HE2 TYR 83 HE2 TYR 83 5.896 -6.928 6.977 600 HH TYR 83 HH TYR 83 7.828 -7.216 5.421 601 H ILE 84 H ILE 84 1.602 -1.685 3.650 602 HA ILE 84 HA ILE 84 2.543 -1.731 0.879 603 HB ILE 84 HB ILE 84 1.403 0.679 2.273 604 1HG1 ILE 84 2HG1 ILE 84 0.010 -1.728 1.873 605 2HG1 ILE 84 1HG1 ILE 84 -0.690 -0.151 2.219 606 1HG2 ILE 84 1HG2 ILE 84 0.753 1.158 -0.140 607 2HG2 ILE 84 2HG2 ILE 84 1.819 -0.190 -0.573 608 3HG2 ILE 84 3HG2 ILE 84 2.472 1.229 0.253 609 1HD1 ILE 84 1HD1 ILE 84 -0.336 -1.506 -0.425 610 2HD1 ILE 84 2HD1 ILE 84 -0.633 0.225 -0.301 611 3HD1 ILE 84 3HD1 ILE 84 -1.819 -0.921 0.331 612 H LYS 85 H LYS 85 4.298 -0.611 0.140 613 HA LYS 85 HA LYS 85 6.020 0.648 2.097 614 1HB LYS 85 2HB LYS 85 6.385 -0.154 -0.778 615 2HB LYS 85 1HB LYS 85 7.576 0.769 0.122 616 1HG LYS 85 2HG LYS 85 7.303 -1.286 1.792 617 2HG LYS 85 1HG LYS 85 6.888 -2.087 0.264 618 1HD LYS 85 2HD LYS 85 9.252 -0.317 0.627 619 2HD LYS 85 1HD LYS 85 9.342 -2.071 0.820 620 1HE LYS 85 2HE LYS 85 9.018 -2.451 -1.434 621 2HE LYS 85 1HE LYS 85 8.163 -0.929 -1.673 622 1HZ LYS 85 1HZ LYS 85 10.273 0.244 -1.462 623 2HZ LYS 85 2HZ LYS 85 10.336 -0.897 -2.717 624 3HZ LYS 85 3HZ LYS 85 11.091 -1.228 -1.236 625 H TYR 86 H TYR 86 5.910 2.733 2.343 626 HA TYR 86 HA TYR 86 4.944 4.433 0.170 627 1HB TYR 86 2HB TYR 86 4.086 4.906 2.449 628 2HB TYR 86 1HB TYR 86 5.736 5.163 3.008 629 HD1 TYR 86 HD1 TYR 86 4.058 6.322 -0.100 630 HD2 TYR 86 HD2 TYR 86 5.863 7.426 3.579 631 HE1 TYR 86 HE1 TYR 86 3.881 8.674 -0.733 632 HE2 TYR 86 HE2 TYR 86 5.690 9.799 2.953 633 HH TYR 86 HH TYR 86 3.734 10.922 0.596 634 H GLU 87 H GLU 87 6.514 4.711 -1.316 635 HA GLU 87 HA GLU 87 9.272 4.896 -0.347 636 1HB GLU 87 2HB GLU 87 8.583 3.067 -1.980 637 2HB GLU 87 1HB GLU 87 8.374 4.341 -3.172 638 1HG GLU 87 2HG GLU 87 10.502 3.540 -3.592 639 2HG GLU 87 1HG GLU 87 10.784 4.981 -2.626 640 H VAL 88 H VAL 88 10.413 6.661 -0.687 641 HA VAL 88 HA VAL 88 9.157 8.864 -2.178 642 HB VAL 88 HB VAL 88 10.608 9.120 0.446 643 1HG1 VAL 88 1HG1 VAL 88 9.550 11.359 0.517 644 2HG1 VAL 88 2HG1 VAL 88 8.990 11.076 -1.135 645 3HG1 VAL 88 3HG1 VAL 88 10.720 11.154 -0.790 646 1HG2 VAL 88 1HG2 VAL 88 7.666 9.000 -0.081 647 2HG2 VAL 88 2HG2 VAL 88 8.356 9.550 1.436 648 3HG2 VAL 88 3HG2 VAL 88 8.614 7.891 0.902 649 H SER 89 H SER 89 10.754 10.582 -2.710 650 HA SER 89 HA SER 89 13.056 9.472 -3.942 651 1HB SER 89 2HB SER 89 13.178 12.257 -4.084 652 2HB SER 89 1HB SER 89 12.464 11.181 -5.285 653 HG SER 89 HG SER 89 10.912 12.670 -4.665 654 H GLY 90 H GLY 90 12.909 9.483 -0.978 655 1HA GLY 90 2HA GLY 90 15.619 10.142 -0.461 656 2HA GLY 90 1HA GLY 90 14.520 11.300 0.266 657 H LYS 91 H LYS 91 12.415 9.379 0.845 658 HA LYS 91 HA LYS 91 13.706 7.933 3.053 659 1HB LYS 91 2HB LYS 91 12.690 10.132 3.727 660 2HB LYS 91 1HB LYS 91 11.143 9.528 3.164 661 1HG LYS 91 2HG LYS 91 11.126 9.281 5.481 662 2HG LYS 91 1HG LYS 91 11.387 7.671 4.817 663 1HD LYS 91 2HD LYS 91 13.792 7.892 5.250 664 2HD LYS 91 1HD LYS 91 13.514 9.495 5.932 665 1HE LYS 91 2HE LYS 91 13.711 7.916 7.732 666 2HE LYS 91 1HE LYS 91 12.036 8.458 7.638 667 1HZ LYS 91 1HZ LYS 91 13.029 5.931 6.429 668 2HZ LYS 91 2HZ LYS 91 11.416 6.420 6.587 669 3HZ LYS 91 3HZ LYS 91 12.317 6.025 7.962 670 H THR 92 H THR 92 12.202 6.275 3.985 671 HA THR 92 HA THR 92 10.038 5.439 2.205 672 HB THR 92 HB THR 92 11.838 3.398 3.490 673 HG1 THR 92 HG1 THR 92 12.068 3.998 0.738 674 1HG2 THR 92 1HG2 THR 92 9.646 2.618 2.778 675 2HG2 THR 92 2HG2 THR 92 10.900 1.930 1.746 676 3HG2 THR 92 3HG2 THR 92 9.917 3.274 1.164 677 H TYR 93 H TYR 93 8.289 4.555 3.264 678 HA TYR 93 HA TYR 93 8.565 3.905 6.112 679 1HB TYR 93 2HB TYR 93 6.144 5.381 5.057 680 2HB TYR 93 1HB TYR 93 6.493 4.965 6.727 681 HD1 TYR 93 HD1 TYR 93 7.252 7.149 3.987 682 HD2 TYR 93 HD2 TYR 93 8.006 6.321 8.058 683 HE1 TYR 93 HE1 TYR 93 8.266 9.393 4.228 684 HE2 TYR 93 HE2 TYR 93 9.019 8.546 8.348 685 HH TYR 93 HH TYR 93 8.698 11.017 6.059 686 H TYR 94 H TYR 94 6.061 3.078 6.612 687 HA TYR 94 HA TYR 94 5.306 1.124 4.609 688 1HB TYR 94 2HB TYR 94 6.348 0.236 7.317 689 2HB TYR 94 1HB TYR 94 5.648 -0.811 6.090 690 HD1 TYR 94 HD1 TYR 94 6.893 -1.163 3.933 691 HD2 TYR 94 HD2 TYR 94 8.630 0.857 7.251 692 HE1 TYR 94 HE1 TYR 94 9.127 -1.512 2.973 693 HE2 TYR 94 HE2 TYR 94 10.866 0.517 6.292 694 HH TYR 94 HH TYR 94 12.015 -0.872 4.753 695 H ASP 95 H ASP 95 3.226 0.428 4.857 696 HA ASP 95 HA ASP 95 1.806 1.294 7.295 697 1HB ASP 95 2HB ASP 95 1.058 2.721 5.501 698 2HB ASP 95 1HB ASP 95 0.822 1.339 4.433 699 H ASN 96 H ASN 96 1.043 -0.315 8.416 700 HA ASN 96 HA ASN 96 -0.155 -2.568 7.053 701 1HB ASN 96 2HB ASN 96 1.034 -4.162 8.675 702 2HB ASN 96 1HB ASN 96 1.947 -3.555 7.305 703 1HD2 ASN 96 1HD2 ASN 96 3.934 -3.823 8.197 704 2HD2 ASN 96 2HD2 ASN 96 4.518 -2.897 9.545 705 H ASN 97 H ASN 97 0.696 -2.877 10.365 706 HA ASN 97 HA ASN 97 -2.138 -2.470 11.102 707 1HB ASN 97 2HB ASN 97 -0.098 -4.339 12.350 708 2HB ASN 97 1HB ASN 97 -1.761 -4.154 12.878 709 1HD2 ASN 97 1HD2 ASN 97 -2.090 -6.368 12.576 710 2HD2 ASN 97 2HD2 ASN 97 -2.301 -7.046 10.985 711 H ASN 98 H ASN 98 1.144 -2.463 12.262 712 HA ASN 98 HA ASN 98 1.118 0.092 13.420 713 1HB ASN 98 2HB ASN 98 -0.239 -1.110 15.168 714 2HB ASN 98 1HB ASN 98 1.098 -2.228 15.390 715 1HD2 ASN 98 1HD2 ASN 98 -0.208 -0.384 17.260 716 2HD2 ASN 98 2HD2 ASN 98 1.053 0.628 17.883 717 H SER 99 H SER 99 2.360 -3.180 13.786 718 HA SER 99 HA SER 99 4.779 -2.503 12.414 719 1HB SER 99 2HB SER 99 6.207 -3.415 14.343 720 2HB SER 99 1HB SER 99 5.550 -1.791 14.548 721 HG SER 99 HG SER 99 4.531 -2.486 16.236 722 H ALA 100 H ALA 100 2.864 -4.145 11.550 723 HA ALA 100 HA ALA 100 3.993 -6.811 11.936 724 1HB ALA 100 1HB ALA 100 1.761 -7.802 12.172 725 2HB ALA 100 2HB ALA 100 1.056 -6.183 12.194 726 3HB ALA 100 3HB ALA 100 2.140 -6.692 13.491 727 H ASN 101 H ASN 101 0.932 -6.622 10.433 728 HA ASN 101 HA ASN 101 1.471 -6.387 7.726 729 1HB ASN 101 2HB ASN 101 1.909 -8.698 7.028 730 2HB ASN 101 1HB ASN 101 3.214 -8.077 8.027 731 1HD2 ASN 101 1HD2 ASN 101 2.659 -10.784 7.486 732 2HD2 ASN 101 2HD2 ASN 101 2.281 -11.564 8.976 733 H TYR 102 H TYR 102 -0.340 -6.723 6.559 734 HA TYR 102 HA TYR 102 -2.736 -7.544 7.942 735 1HB TYR 102 2HB TYR 102 -2.314 -7.058 4.989 736 2HB TYR 102 1HB TYR 102 -3.862 -7.205 5.795 737 HD1 TYR 102 HD1 TYR 102 -1.113 -5.027 4.940 738 HD2 TYR 102 HD2 TYR 102 -4.662 -5.360 7.253 739 HE1 TYR 102 HE1 TYR 102 -1.193 -2.591 5.144 740 HE2 TYR 102 HE2 TYR 102 -4.752 -2.913 7.481 741 HH TYR 102 HH TYR 102 -2.568 -0.805 5.709 742 H GLN 103 H GLN 103 -3.816 -9.484 7.666 743 HA GLN 103 HA GLN 103 -2.363 -11.494 6.111 744 1HB GLN 103 2HB GLN 103 -3.898 -13.042 7.671 745 2HB GLN 103 1HB GLN 103 -2.267 -12.559 8.090 746 1HG GLN 103 2HG GLN 103 -4.737 -11.102 8.940 747 2HG GLN 103 1HG GLN 103 -3.954 -12.349 9.903 748 1HE2 GLN 103 1HE2 GLN 103 -1.234 -11.408 9.086 749 2HE2 GLN 103 2HE2 GLN 103 -0.977 -9.932 9.956 750 H VAL 104 H VAL 104 -3.258 -12.318 4.480 751 HA VAL 104 HA VAL 104 -6.043 -11.708 3.836 752 HB VAL 104 HB VAL 104 -4.086 -13.099 2.020 753 1HG1 VAL 104 1HG1 VAL 104 -6.707 -11.811 1.747 754 2HG1 VAL 104 2HG1 VAL 104 -5.973 -13.128 0.834 755 3HG1 VAL 104 3HG1 VAL 104 -5.552 -11.464 0.463 756 1HG2 VAL 104 1HG2 VAL 104 -4.345 -10.107 2.240 757 2HG2 VAL 104 2HG2 VAL 104 -3.326 -11.011 1.125 758 3HG2 VAL 104 3HG2 VAL 104 -2.991 -11.050 2.858 759 H SER 105 H SER 105 -7.580 -13.269 3.872 760 HA SER 105 HA SER 105 -7.014 -15.756 5.097 761 1HB SER 105 2HB SER 105 -9.199 -14.521 5.258 762 2HB SER 105 1HB SER 105 -9.531 -15.000 3.594 763 HG SER 105 HG SER 105 -8.899 -16.902 5.595 764 H THR 106 H THR 106 -5.601 -16.982 3.939 765 HA THR 106 HA THR 106 -6.569 -17.963 1.346 766 HB THR 106 HB THR 106 -3.953 -18.361 1.015 767 HG1 THR 106 HG1 THR 106 -4.135 -16.023 2.652 768 1HG2 THR 106 1HG2 THR 106 -3.904 -16.275 -0.294 769 2HG2 THR 106 2HG2 THR 106 -5.382 -15.747 0.512 770 3HG2 THR 106 3HG2 THR 106 -5.406 -17.167 -0.532 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -12.092 15.526 13.181 2 2H ALA 1 2H ALA 1 -11.640 14.825 11.704 3 3H ALA 1 3H ALA 1 -11.155 16.408 12.072 4 HA ALA 1 HA ALA 1 -9.829 15.582 13.917 5 1HB ALA 1 1HB ALA 1 -9.431 13.197 14.135 6 2HB ALA 1 2HB ALA 1 -10.570 12.867 12.828 7 3HB ALA 1 3HB ALA 1 -11.143 13.559 14.346 8 H SER 2 H SER 2 -7.644 14.449 13.510 9 HA SER 2 HA SER 2 -6.579 15.565 11.126 10 1HB SER 2 2HB SER 2 -4.451 14.409 11.923 11 2HB SER 2 1HB SER 2 -5.172 15.568 13.040 12 HG SER 2 HG SER 2 -6.010 13.879 14.236 13 H ILE 3 H ILE 3 -6.112 14.691 9.224 14 HA ILE 3 HA ILE 3 -7.115 12.121 8.509 15 HB ILE 3 HB ILE 3 -5.329 14.001 6.956 16 1HG1 ILE 3 2HG1 ILE 3 -7.512 14.974 7.422 17 2HG1 ILE 3 1HG1 ILE 3 -7.389 14.547 5.714 18 1HG2 ILE 3 1HG2 ILE 3 -5.976 12.715 4.975 19 2HG2 ILE 3 2HG2 ILE 3 -6.828 11.566 6.007 20 3HG2 ILE 3 3HG2 ILE 3 -5.077 11.735 6.132 21 1HD1 ILE 3 1HD1 ILE 3 -9.572 13.982 6.587 22 2HD1 ILE 3 2HD1 ILE 3 -8.838 12.985 7.844 23 3HD1 ILE 3 3HD1 ILE 3 -8.691 12.517 6.148 24 HA PRO 4 HA PRO 4 -2.526 10.764 8.304 25 1HB PRO 4 2HB PRO 4 -0.615 12.412 9.316 26 2HB PRO 4 1HB PRO 4 -1.089 12.402 7.616 27 1HG PRO 4 2HG PRO 4 -1.794 14.326 9.766 28 2HG PRO 4 1HG PRO 4 -1.549 14.606 8.034 29 1HD PRO 4 2HD PRO 4 -4.011 14.437 9.272 30 2HD PRO 4 1HD PRO 4 -3.723 14.177 7.543 31 H SER 5 H SER 5 -1.913 9.350 9.805 32 HA SER 5 HA SER 5 -2.458 10.049 12.602 33 1HB SER 5 2HB SER 5 -3.952 8.307 11.792 34 2HB SER 5 1HB SER 5 -2.587 7.339 11.249 35 HG SER 5 HG SER 5 -2.790 8.138 13.947 36 H SER 6 H SER 6 -0.648 7.242 11.419 37 HA SER 6 HA SER 6 1.590 8.108 13.079 38 1HB SER 6 2HB SER 6 1.116 5.443 11.720 39 2HB SER 6 1HB SER 6 2.369 5.804 12.908 40 HG SER 6 HG SER 6 0.174 6.535 14.074 41 H ALA 7 H ALA 7 1.269 6.505 9.897 42 HA ALA 7 HA ALA 7 3.748 7.810 9.067 43 1HB ALA 7 1HB ALA 7 3.824 6.224 7.261 44 2HB ALA 7 2HB ALA 7 2.189 5.670 7.625 45 3HB ALA 7 3HB ALA 7 3.502 5.357 8.764 46 H SER 8 H SER 8 3.582 8.099 6.441 47 HA SER 8 HA SER 8 1.771 10.281 6.071 48 1HB SER 8 2HB SER 8 3.544 8.875 4.057 49 2HB SER 8 1HB SER 8 2.791 10.454 3.847 50 HG SER 8 HG SER 8 4.150 11.325 5.308 51 H VAL 9 H VAL 9 1.833 6.899 5.256 52 HA VAL 9 HA VAL 9 -0.549 7.260 3.613 53 HB VAL 9 HB VAL 9 1.043 6.482 2.118 54 1HG1 VAL 9 1HG1 VAL 9 2.556 4.622 2.605 55 2HG1 VAL 9 2HG1 VAL 9 2.013 4.635 4.281 56 3HG1 VAL 9 3HG1 VAL 9 2.846 6.039 3.604 57 1HG2 VAL 9 1HG2 VAL 9 0.411 4.276 1.484 58 2HG2 VAL 9 2HG2 VAL 9 -1.008 5.067 2.174 59 3HG2 VAL 9 3HG2 VAL 9 -0.109 3.890 3.125 60 H GLN 10 H GLN 10 -2.160 5.783 3.694 61 HA GLN 10 HA GLN 10 -2.194 3.806 5.850 62 1HB GLN 10 2HB GLN 10 -3.126 5.923 6.774 63 2HB GLN 10 1HB GLN 10 -4.308 5.948 5.475 64 1HG GLN 10 2HG GLN 10 -5.159 3.754 6.331 65 2HG GLN 10 1HG GLN 10 -4.100 3.965 7.725 66 1HE2 GLN 10 1HE2 GLN 10 -6.956 5.063 6.104 67 2HE2 GLN 10 2HE2 GLN 10 -7.562 6.052 7.389 68 H LEU 11 H LEU 11 -3.416 2.009 5.271 69 HA LEU 11 HA LEU 11 -4.296 1.755 2.579 70 1HB LEU 11 2HB LEU 11 -3.587 -0.199 3.848 71 2HB LEU 11 1HB LEU 11 -4.896 0.040 4.992 72 HG LEU 11 HG LEU 11 -6.314 -0.143 2.681 73 1HD1 LEU 11 1HD1 LEU 11 -4.049 -0.647 1.560 74 2HD1 LEU 11 2HD1 LEU 11 -5.427 -1.663 1.180 75 3HD1 LEU 11 3HD1 LEU 11 -4.198 -2.234 2.310 76 1HD2 LEU 11 1HD2 LEU 11 -6.811 -2.428 3.382 77 2HD2 LEU 11 2HD2 LEU 11 -6.725 -1.344 4.769 78 3HD2 LEU 11 3HD2 LEU 11 -5.384 -2.435 4.419 79 H ASP 12 H ASP 12 -6.274 1.957 1.693 80 HA ASP 12 HA ASP 12 -8.421 3.010 3.353 81 1HB ASP 12 2HB ASP 12 -8.053 4.076 1.184 82 2HB ASP 12 1HB ASP 12 -8.285 2.550 0.363 83 H SER 13 H SER 13 -8.236 0.595 0.792 84 HA SER 13 HA SER 13 -9.390 -1.531 2.321 85 1HB SER 13 2HB SER 13 -11.191 -0.129 0.320 86 2HB SER 13 1HB SER 13 -11.527 -1.702 1.037 87 HG SER 13 HG SER 13 -10.965 0.142 2.942 88 H TYR 14 H TYR 14 -9.687 -3.433 1.142 89 HA TYR 14 HA TYR 14 -8.967 -3.566 -1.631 90 1HB TYR 14 2HB TYR 14 -7.024 -5.004 -1.329 91 2HB TYR 14 1HB TYR 14 -6.748 -3.462 -0.534 92 HD1 TYR 14 HD1 TYR 14 -7.642 -6.971 0.050 93 HD2 TYR 14 HD2 TYR 14 -6.283 -3.374 1.794 94 HE1 TYR 14 HE1 TYR 14 -7.069 -8.208 2.086 95 HE2 TYR 14 HE2 TYR 14 -5.719 -4.565 3.861 96 HH TYR 14 HH TYR 14 -6.292 -6.613 5.029 97 H ASN 15 H ASN 15 -9.323 -5.731 -2.473 98 HA ASN 15 HA ASN 15 -10.954 -7.384 -0.670 99 1HB ASN 15 2HB ASN 15 -11.632 -6.579 -3.510 100 2HB ASN 15 1HB ASN 15 -12.510 -7.788 -2.579 101 1HD2 ASN 15 1HD2 ASN 15 -11.861 -4.419 -3.013 102 2HD2 ASN 15 2HD2 ASN 15 -13.107 -3.832 -1.966 103 H TYR 16 H TYR 16 -11.327 -9.556 -1.497 104 HA TYR 16 HA TYR 16 -9.137 -10.552 -3.189 105 1HB TYR 16 2HB TYR 16 -8.958 -10.903 -0.587 106 2HB TYR 16 1HB TYR 16 -10.189 -12.126 -0.858 107 HD1 TYR 16 HD1 TYR 16 -7.407 -11.410 -3.189 108 HD2 TYR 16 HD2 TYR 16 -8.925 -14.026 -0.210 109 HE1 TYR 16 HE1 TYR 16 -5.651 -13.033 -3.737 110 HE2 TYR 16 HE2 TYR 16 -7.173 -15.662 -0.750 111 HH TYR 16 HH TYR 16 -5.678 -16.258 -2.489 112 H ASP 17 H ASP 17 -9.701 -12.382 -4.425 113 HA ASP 17 HA ASP 17 -12.409 -13.385 -4.426 114 1HB ASP 17 2HB ASP 17 -12.527 -11.205 -5.692 115 2HB ASP 17 1HB ASP 17 -11.389 -11.881 -6.852 116 H GLY 18 H GLY 18 -11.843 -15.523 -4.479 117 1HA GLY 18 2HA GLY 18 -10.656 -17.437 -5.001 118 2HA GLY 18 1HA GLY 18 -10.376 -16.711 -6.585 119 H SER 19 H SER 19 -8.318 -15.975 -7.041 120 HA SER 19 HA SER 19 -6.932 -14.787 -4.763 121 1HB SER 19 2HB SER 19 -5.871 -16.972 -5.483 122 2HB SER 19 1HB SER 19 -5.529 -16.197 -7.029 123 HG SER 19 HG SER 19 -4.634 -15.329 -4.468 124 H THR 20 H THR 20 -7.778 -12.819 -5.353 125 HA THR 20 HA THR 20 -6.504 -11.534 -7.635 126 HB THR 20 HB THR 20 -9.466 -11.182 -7.104 127 HG1 THR 20 HG1 THR 20 -9.455 -13.154 -7.997 128 1HG2 THR 20 1HG2 THR 20 -8.338 -9.283 -8.173 129 2HG2 THR 20 2HG2 THR 20 -9.463 -10.070 -9.281 130 3HG2 THR 20 3HG2 THR 20 -7.728 -10.354 -9.436 131 H PHE 21 H PHE 21 -5.930 -9.420 -7.176 132 HA PHE 21 HA PHE 21 -6.809 -8.376 -4.562 133 1HB PHE 21 2HB PHE 21 -4.316 -8.711 -4.962 134 2HB PHE 21 1HB PHE 21 -4.425 -7.434 -6.170 135 HD1 PHE 21 HD1 PHE 21 -3.969 -8.207 -2.757 136 HD2 PHE 21 HD2 PHE 21 -5.296 -5.140 -5.372 137 HE1 PHE 21 HE1 PHE 21 -3.666 -6.554 -0.952 138 HE2 PHE 21 HE2 PHE 21 -4.983 -3.474 -3.588 139 HZ PHE 21 HZ PHE 21 -4.165 -4.180 -1.376 140 H SER 22 H SER 22 -8.102 -6.679 -4.573 141 HA SER 22 HA SER 22 -7.793 -4.664 -6.628 142 1HB SER 22 2HB SER 22 -10.231 -4.611 -7.133 143 2HB SER 22 1HB SER 22 -9.440 -6.094 -7.681 144 HG SER 22 HG SER 22 -11.272 -6.749 -6.662 145 H GLY 23 H GLY 23 -7.854 -2.738 -5.709 146 1HA GLY 23 2HA GLY 23 -9.635 -1.963 -3.673 147 2HA GLY 23 1HA GLY 23 -8.120 -2.470 -2.942 148 H LYS 24 H LYS 24 -7.881 -0.329 -2.174 149 HA LYS 24 HA LYS 24 -6.434 1.317 -4.012 150 1HB LYS 24 2HB LYS 24 -7.874 3.304 -3.743 151 2HB LYS 24 1HB LYS 24 -8.626 2.001 -4.661 152 1HG LYS 24 2HG LYS 24 -9.861 1.357 -2.595 153 2HG LYS 24 1HG LYS 24 -9.179 2.779 -1.794 154 1HD LYS 24 2HD LYS 24 -10.172 4.170 -3.630 155 2HD LYS 24 1HD LYS 24 -10.986 2.717 -4.211 156 1HE LYS 24 2HE LYS 24 -11.386 4.152 -1.598 157 2HE LYS 24 1HE LYS 24 -12.554 3.911 -2.894 158 1HZ LYS 24 1HZ LYS 24 -11.627 2.037 -0.842 159 2HZ LYS 24 2HZ LYS 24 -12.093 1.405 -2.344 160 3HZ LYS 24 3HZ LYS 24 -13.199 2.308 -1.431 161 H ILE 25 H ILE 25 -5.685 3.349 -2.935 162 HA ILE 25 HA ILE 25 -5.046 2.730 -0.125 163 HB ILE 25 HB ILE 25 -3.038 3.849 -2.080 164 1HG1 ILE 25 2HG1 ILE 25 -3.447 0.940 -1.318 165 2HG1 ILE 25 1HG1 ILE 25 -3.775 1.638 -2.899 166 1HG2 ILE 25 1HG2 ILE 25 -2.566 4.182 0.296 167 2HG2 ILE 25 2HG2 ILE 25 -1.416 3.051 -0.417 168 3HG2 ILE 25 3HG2 ILE 25 -2.739 2.451 0.584 169 1HD1 ILE 25 1HD1 ILE 25 -1.077 1.469 -1.583 170 2HD1 ILE 25 2HD1 ILE 25 -1.415 2.128 -3.184 171 3HD1 ILE 25 3HD1 ILE 25 -1.678 0.415 -2.861 172 H TYR 26 H TYR 26 -4.182 4.587 1.066 173 HA TYR 26 HA TYR 26 -5.278 7.165 0.148 174 1HB TYR 26 2HB TYR 26 -6.711 5.733 1.753 175 2HB TYR 26 1HB TYR 26 -5.478 6.079 2.957 176 HD1 TYR 26 HD1 TYR 26 -4.968 8.631 3.301 177 HD2 TYR 26 HD2 TYR 26 -8.550 7.090 1.608 178 HE1 TYR 26 HE1 TYR 26 -6.163 10.697 3.938 179 HE2 TYR 26 HE2 TYR 26 -9.748 9.148 2.223 180 HH TYR 26 HH TYR 26 -8.198 11.963 3.161 181 H VAL 27 H VAL 27 -3.317 8.375 -0.049 182 HA VAL 27 HA VAL 27 -1.491 8.172 2.212 183 HB VAL 27 HB VAL 27 0.219 7.189 1.204 184 1HG1 VAL 27 1HG1 VAL 27 -0.186 5.853 -0.790 185 2HG1 VAL 27 2HG1 VAL 27 -1.682 6.743 -1.082 186 3HG1 VAL 27 3HG1 VAL 27 -1.518 5.742 0.362 187 1HG2 VAL 27 1HG2 VAL 27 -0.201 8.811 -1.298 188 2HG2 VAL 27 2HG2 VAL 27 1.230 7.876 -0.873 189 3HG2 VAL 27 3HG2 VAL 27 0.792 9.298 0.074 190 H LYS 28 H LYS 28 -0.136 9.837 2.592 191 HA LYS 28 HA LYS 28 -0.958 12.406 1.627 192 1HB LYS 28 2HB LYS 28 -0.322 11.880 3.993 193 2HB LYS 28 1HB LYS 28 1.333 11.662 3.450 194 1HG LYS 28 2HG LYS 28 1.574 13.945 2.949 195 2HG LYS 28 1HG LYS 28 -0.166 14.231 3.066 196 1HD LYS 28 2HD LYS 28 -0.073 13.650 5.460 197 2HD LYS 28 1HD LYS 28 1.676 13.457 5.325 198 1HE LYS 28 2HE LYS 28 1.954 15.768 4.790 199 2HE LYS 28 1HE LYS 28 0.210 16.001 4.666 200 1HZ LYS 28 1HZ LYS 28 1.174 16.793 6.771 201 2HZ LYS 28 2HZ LYS 28 1.609 15.203 7.161 202 3HZ LYS 28 3HZ LYS 28 -0.025 15.626 6.989 203 H ASN 29 H ASN 29 0.015 13.604 0.087 204 HA ASN 29 HA ASN 29 2.326 12.438 -1.248 205 1HB ASN 29 2HB ASN 29 1.902 14.237 -2.972 206 2HB ASN 29 1HB ASN 29 0.610 13.068 -2.773 207 1HD2 ASN 29 1HD2 ASN 29 -1.307 13.751 -2.363 208 2HD2 ASN 29 2HD2 ASN 29 -1.781 15.373 -2.006 209 H ILE 30 H ILE 30 4.297 13.061 -0.846 210 HA ILE 30 HA ILE 30 4.868 15.298 0.857 211 HB ILE 30 HB ILE 30 6.857 13.692 -0.743 212 1HG1 ILE 30 2HG1 ILE 30 5.525 12.106 0.487 213 2HG1 ILE 30 1HG1 ILE 30 7.079 12.274 1.292 214 1HG2 ILE 30 1HG2 ILE 30 8.360 14.278 1.139 215 2HG2 ILE 30 2HG2 ILE 30 7.083 15.304 1.783 216 3HG2 ILE 30 3HG2 ILE 30 7.802 15.673 0.219 217 1HD1 ILE 30 1HD1 ILE 30 5.150 12.138 2.825 218 2HD1 ILE 30 2HD1 ILE 30 4.562 13.668 2.171 219 3HD1 ILE 30 3HD1 ILE 30 6.105 13.608 3.024 220 H ALA 31 H ALA 31 5.891 14.478 -2.443 221 HA ALA 31 HA ALA 31 5.974 17.342 -3.057 222 1HB ALA 31 1HB ALA 31 8.072 16.176 -3.485 223 2HB ALA 31 2HB ALA 31 7.350 16.735 -4.994 224 3HB ALA 31 3HB ALA 31 7.237 15.035 -4.539 225 H TYR 32 H TYR 32 5.577 14.606 -5.248 226 HA TYR 32 HA TYR 32 2.767 14.895 -5.572 227 1HB TYR 32 2HB TYR 32 3.525 16.890 -6.836 228 2HB TYR 32 1HB TYR 32 4.522 15.853 -7.850 229 HD1 TYR 32 HD1 TYR 32 1.025 15.443 -6.641 230 HD2 TYR 32 HD2 TYR 32 3.604 15.921 -9.988 231 HE1 TYR 32 HE1 TYR 32 -0.893 15.136 -8.152 232 HE2 TYR 32 HE2 TYR 32 1.695 15.610 -11.512 233 HH TYR 32 HH TYR 32 -0.552 14.560 -11.473 234 H SER 33 H SER 33 5.389 14.119 -7.847 235 HA SER 33 HA SER 33 4.134 11.577 -8.417 236 1HB SER 33 2HB SER 33 6.699 12.761 -9.515 237 2HB SER 33 1HB SER 33 5.811 11.377 -10.178 238 HG SER 33 HG SER 33 3.991 13.073 -10.190 239 H LYS 34 H LYS 34 4.522 10.998 -6.060 240 HA LYS 34 HA LYS 34 7.224 9.976 -5.549 241 1HB LYS 34 2HB LYS 34 4.800 9.919 -3.755 242 2HB LYS 34 1HB LYS 34 6.470 9.613 -3.305 243 1HG LYS 34 2HG LYS 34 5.075 12.169 -3.801 244 2HG LYS 34 1HG LYS 34 6.295 11.769 -2.593 245 1HD LYS 34 2HD LYS 34 6.727 12.363 -5.524 246 2HD LYS 34 1HD LYS 34 7.219 13.361 -4.159 247 1HE LYS 34 2HE LYS 34 9.008 12.007 -3.648 248 2HE LYS 34 1HE LYS 34 8.259 10.571 -4.344 249 1HZ LYS 34 1HZ LYS 34 9.379 12.859 -5.884 250 2HZ LYS 34 2HZ LYS 34 8.659 11.477 -6.551 251 3HZ LYS 34 3HZ LYS 34 10.113 11.341 -5.690 252 H LYS 35 H LYS 35 7.091 7.687 -4.389 253 HA LYS 35 HA LYS 35 5.814 6.011 -6.433 254 1HB LYS 35 2HB LYS 35 8.051 5.326 -4.528 255 2HB LYS 35 1HB LYS 35 7.413 4.276 -5.781 256 1HG LYS 35 2HG LYS 35 8.186 5.889 -7.477 257 2HG LYS 35 1HG LYS 35 8.900 6.858 -6.182 258 1HD LYS 35 2HD LYS 35 10.161 4.783 -5.494 259 2HD LYS 35 1HD LYS 35 9.615 4.051 -7.000 260 1HE LYS 35 2HE LYS 35 10.752 5.764 -8.277 261 2HE LYS 35 1HE LYS 35 11.223 6.592 -6.792 262 1HZ LYS 35 1HZ LYS 35 12.382 4.470 -6.165 263 2HZ LYS 35 2HZ LYS 35 13.077 5.331 -7.451 264 3HZ LYS 35 3HZ LYS 35 12.142 3.949 -7.765 265 H VAL 36 H VAL 36 4.184 4.729 -5.907 266 HA VAL 36 HA VAL 36 4.016 3.859 -3.111 267 HB VAL 36 HB VAL 36 1.711 4.500 -4.955 268 1HG1 VAL 36 1HG1 VAL 36 0.273 3.665 -3.139 269 2HG1 VAL 36 2HG1 VAL 36 1.702 3.151 -2.282 270 3HG1 VAL 36 3HG1 VAL 36 1.281 2.381 -3.800 271 1HG2 VAL 36 1HG2 VAL 36 2.755 6.340 -3.689 272 2HG2 VAL 36 2HG2 VAL 36 2.429 5.474 -2.192 273 3HG2 VAL 36 3HG2 VAL 36 1.093 6.039 -3.196 274 H THR 37 H THR 37 4.645 1.914 -3.004 275 HA THR 37 HA THR 37 4.109 0.090 -5.249 276 HB THR 37 HB THR 37 6.298 -1.025 -4.426 277 HG1 THR 37 HG1 THR 37 6.272 0.727 -2.626 278 1HG2 THR 37 1HG2 THR 37 5.950 1.437 -6.057 279 2HG2 THR 37 2HG2 THR 37 6.389 -0.193 -6.567 280 3HG2 THR 37 3HG2 THR 37 7.582 0.836 -5.768 281 H VAL 38 H VAL 38 2.746 -1.407 -4.669 282 HA VAL 38 HA VAL 38 2.386 -2.159 -1.912 283 HB VAL 38 HB VAL 38 1.266 -3.399 -4.431 284 1HG1 VAL 38 1HG1 VAL 38 -0.194 -4.709 -3.043 285 2HG1 VAL 38 2HG1 VAL 38 0.425 -3.951 -1.581 286 3HG1 VAL 38 3HG1 VAL 38 1.463 -5.015 -2.530 287 1HG2 VAL 38 1HG2 VAL 38 -0.849 -2.452 -3.442 288 2HG2 VAL 38 2HG2 VAL 38 0.265 -1.309 -4.188 289 3HG2 VAL 38 3HG2 VAL 38 0.185 -1.454 -2.430 290 H VAL 39 H VAL 39 3.157 -3.845 -0.918 291 HA VAL 39 HA VAL 39 4.779 -5.744 -2.474 292 HB VAL 39 HB VAL 39 5.686 -5.683 0.252 293 1HG1 VAL 39 1HG1 VAL 39 7.058 -4.973 -2.336 294 2HG1 VAL 39 2HG1 VAL 39 6.927 -6.583 -1.630 295 3HG1 VAL 39 3HG1 VAL 39 7.861 -5.334 -0.806 296 1HG2 VAL 39 1HG2 VAL 39 6.712 -3.459 0.325 297 2HG2 VAL 39 2HG2 VAL 39 4.952 -3.350 0.298 298 3HG2 VAL 39 3HG2 VAL 39 5.878 -3.021 -1.166 299 H TYR 40 H TYR 40 3.518 -7.534 -2.511 300 HA TYR 40 HA TYR 40 2.475 -8.317 0.111 301 1HB TYR 40 2HB TYR 40 0.662 -9.426 -0.771 302 2HB TYR 40 1HB TYR 40 0.765 -8.009 -1.795 303 HD1 TYR 40 HD1 TYR 40 0.599 -8.292 -3.993 304 HD2 TYR 40 HD2 TYR 40 1.844 -11.628 -1.773 305 HE1 TYR 40 HE1 TYR 40 0.473 -9.641 -6.041 306 HE2 TYR 40 HE2 TYR 40 1.732 -13.029 -3.795 307 HH TYR 40 HH TYR 40 1.500 -11.768 -6.894 308 H ALA 41 H ALA 41 2.898 -10.103 0.940 309 HA ALA 41 HA ALA 41 5.084 -11.616 -0.188 310 1HB ALA 41 1HB ALA 41 5.173 -12.568 2.049 311 2HB ALA 41 2HB ALA 41 3.715 -11.716 2.484 312 3HB ALA 41 3HB ALA 41 5.179 -10.823 2.122 313 H ASP 42 H ASP 42 4.228 -12.790 -1.720 314 HA ASP 42 HA ASP 42 1.753 -13.843 -2.081 315 1HB ASP 42 2HB ASP 42 2.606 -15.319 -3.708 316 2HB ASP 42 1HB ASP 42 3.702 -13.947 -3.698 317 H GLY 43 H GLY 43 1.085 -16.198 -2.152 318 1HA GLY 43 2HA GLY 43 0.417 -16.746 0.505 319 2HA GLY 43 1HA GLY 43 0.088 -17.798 -0.858 320 H SER 44 H SER 44 3.215 -17.641 -1.098 321 HA SER 44 HA SER 44 3.665 -19.938 0.694 322 1HB SER 44 2HB SER 44 3.755 -20.383 -1.783 323 2HB SER 44 1HB SER 44 5.085 -19.229 -1.883 324 HG SER 44 HG SER 44 5.047 -21.639 -0.365 325 H ASP 45 H ASP 45 4.398 -16.781 -0.132 326 HA ASP 45 HA ASP 45 7.093 -16.728 0.556 327 1HB ASP 45 2HB ASP 45 6.025 -15.193 -1.101 328 2HB ASP 45 1HB ASP 45 5.297 -14.364 0.268 329 H ASN 46 H ASN 46 4.761 -14.555 1.969 330 HA ASN 46 HA ASN 46 5.173 -13.277 3.874 331 1HB ASN 46 2HB ASN 46 4.257 -15.474 4.746 332 2HB ASN 46 1HB ASN 46 5.914 -15.924 5.124 333 1HD2 ASN 46 1HD2 ASN 46 3.795 -15.676 6.981 334 2HD2 ASN 46 2HD2 ASN 46 4.195 -14.408 8.085 335 H TRP 47 H TRP 47 6.990 -11.968 3.707 336 HA TRP 47 HA TRP 47 8.900 -12.721 2.126 337 1HB TRP 47 2HB TRP 47 8.914 -10.507 4.085 338 2HB TRP 47 1HB TRP 47 10.262 -10.782 2.972 339 HD1 TRP 47 HD1 TRP 47 9.589 -10.982 0.373 340 HE1 TRP 47 HE1 TRP 47 7.756 -9.755 -0.958 341 HE3 TRP 47 HE3 TRP 47 6.803 -9.462 4.251 342 HZ2 TRP 47 HZ2 TRP 47 5.373 -8.382 -0.330 343 HZ3 TRP 47 HZ3 TRP 47 4.778 -8.281 3.845 344 HH2 TRP 47 HH2 TRP 47 4.067 -7.731 1.593 345 H ASN 48 H ASN 48 10.215 -14.346 2.248 346 HA ASN 48 HA ASN 48 12.180 -14.607 4.363 347 1HB ASN 48 2HB ASN 48 13.223 -16.252 2.838 348 2HB ASN 48 1HB ASN 48 11.501 -16.557 3.012 349 1HD2 ASN 48 1HD2 ASN 48 10.138 -16.314 1.318 350 2HD2 ASN 48 2HD2 ASN 48 10.698 -16.076 -0.316 351 H ASN 49 H ASN 49 11.914 -11.990 3.349 352 HA ASN 49 HA ASN 49 12.771 -10.261 2.165 353 1HB ASN 49 2HB ASN 49 14.835 -10.910 3.510 354 2HB ASN 49 1HB ASN 49 15.387 -11.785 2.078 355 1HD2 ASN 49 1HD2 ASN 49 17.176 -10.459 1.791 356 2HD2 ASN 49 2HD2 ASN 49 17.037 -8.828 1.232 357 H ASN 50 H ASN 50 11.292 -11.887 0.762 358 HA ASN 50 HA ASN 50 12.651 -12.987 -1.532 359 1HB ASN 50 2HB ASN 50 10.760 -14.166 -0.470 360 2HB ASN 50 1HB ASN 50 9.707 -12.792 -0.860 361 1HD2 ASN 50 1HD2 ASN 50 8.327 -14.020 -2.067 362 2HD2 ASN 50 2HD2 ASN 50 8.757 -14.652 -3.639 363 H GLY 51 H GLY 51 9.974 -10.627 -1.148 364 1HA GLY 51 2HA GLY 51 10.023 -8.440 -2.058 365 2HA GLY 51 1HA GLY 51 11.316 -8.949 -3.135 366 H ASN 52 H ASN 52 7.928 -8.638 -2.688 367 HA ASN 52 HA ASN 52 7.479 -9.321 -5.510 368 1HB ASN 52 2HB ASN 52 5.841 -10.238 -3.134 369 2HB ASN 52 1HB ASN 52 5.229 -10.264 -4.782 370 1HD2 ASN 52 1HD2 ASN 52 5.966 -12.338 -2.691 371 2HD2 ASN 52 2HD2 ASN 52 6.904 -13.488 -3.575 372 H ILE 53 H ILE 53 6.916 -7.382 -6.386 373 HA ILE 53 HA ILE 53 5.313 -5.581 -4.693 374 HB ILE 53 HB ILE 53 7.571 -4.747 -4.879 375 1HG1 ILE 53 2HG1 ILE 53 5.424 -3.214 -5.185 376 2HG1 ILE 53 1HG1 ILE 53 7.052 -2.551 -5.244 377 1HG2 ILE 53 1HG2 ILE 53 8.197 -3.897 -7.284 378 2HG2 ILE 53 2HG2 ILE 53 7.179 -5.257 -7.770 379 3HG2 ILE 53 3HG2 ILE 53 8.592 -5.532 -6.747 380 1HD1 ILE 53 1HD1 ILE 53 5.267 -3.210 -7.576 381 2HD1 ILE 53 2HD1 ILE 53 6.954 -2.717 -7.724 382 3HD1 ILE 53 3HD1 ILE 53 5.769 -1.609 -7.026 383 H ILE 54 H ILE 54 3.670 -4.489 -5.544 384 HA ILE 54 HA ILE 54 3.227 -4.580 -8.443 385 HB ILE 54 HB ILE 54 1.708 -6.235 -7.405 386 1HG1 ILE 54 2HG1 ILE 54 -0.459 -5.229 -8.276 387 2HG1 ILE 54 1HG1 ILE 54 0.467 -3.765 -8.597 388 1HG2 ILE 54 1HG2 ILE 54 0.482 -3.926 -5.932 389 2HG2 ILE 54 2HG2 ILE 54 1.472 -5.193 -5.211 390 3HG2 ILE 54 3HG2 ILE 54 -0.084 -5.598 -5.938 391 1HD1 ILE 54 1HD1 ILE 54 1.047 -6.488 -9.735 392 2HD1 ILE 54 2HD1 ILE 54 1.926 -4.998 -10.091 393 3HD1 ILE 54 3HD1 ILE 54 0.238 -5.168 -10.583 394 H ALA 55 H ALA 55 3.228 -2.547 -9.176 395 HA ALA 55 HA ALA 55 3.303 -0.382 -7.310 396 1HB ALA 55 1HB ALA 55 4.657 -0.468 -9.392 397 2HB ALA 55 2HB ALA 55 3.761 1.037 -9.174 398 3HB ALA 55 3HB ALA 55 3.177 -0.185 -10.312 399 H ALA 56 H ALA 56 1.834 1.141 -6.840 400 HA ALA 56 HA ALA 56 -0.927 0.624 -7.488 401 1HB ALA 56 1HB ALA 56 -1.356 2.565 -5.997 402 2HB ALA 56 2HB ALA 56 0.381 2.787 -5.845 403 3HB ALA 56 3HB ALA 56 -0.373 1.310 -5.241 404 H SER 57 H SER 57 -2.350 2.432 -8.208 405 HA SER 57 HA SER 57 -1.004 4.083 -10.225 406 1HB SER 57 2HB SER 57 -3.771 2.876 -10.472 407 2HB SER 57 1HB SER 57 -2.849 3.707 -11.726 408 HG SER 57 HG SER 57 -1.727 1.448 -10.503 409 H PHE 58 H PHE 58 -1.703 6.175 -10.380 410 HA PHE 58 HA PHE 58 -2.884 7.284 -8.087 411 1HB PHE 58 2HB PHE 58 -2.438 8.674 -10.726 412 2HB PHE 58 1HB PHE 58 -2.678 9.425 -9.153 413 HD1 PHE 58 HD1 PHE 58 -0.867 10.005 -7.848 414 HD2 PHE 58 HD2 PHE 58 -0.330 7.218 -11.018 415 HE1 PHE 58 HE1 PHE 58 1.567 10.094 -7.510 416 HE2 PHE 58 HE2 PHE 58 2.106 7.295 -10.680 417 HZ PHE 58 HZ PHE 58 3.057 8.736 -8.923 418 H SER 59 H SER 59 -4.884 8.054 -7.741 419 HA SER 59 HA SER 59 -6.887 7.621 -9.856 420 1HB SER 59 2HB SER 59 -7.264 6.321 -7.772 421 2HB SER 59 1HB SER 59 -7.310 7.826 -6.857 422 HG SER 59 HG SER 59 -9.375 6.742 -7.723 423 H GLY 60 H GLY 60 -5.760 9.828 -7.337 424 1HA GLY 60 2HA GLY 60 -5.629 12.096 -8.789 425 2HA GLY 60 1HA GLY 60 -7.336 12.023 -8.368 426 HA PRO 61 HA PRO 61 -4.589 13.694 -4.787 427 1HB PRO 61 2HB PRO 61 -5.432 16.366 -5.717 428 2HB PRO 61 1HB PRO 61 -3.842 15.816 -5.183 429 1HG PRO 61 2HG PRO 61 -4.348 16.348 -7.761 430 2HG PRO 61 1HG PRO 61 -3.259 15.036 -7.275 431 1HD PRO 61 2HD PRO 61 -6.098 14.896 -8.209 432 2HD PRO 61 1HD PRO 61 -4.732 13.824 -8.587 433 H ILE 62 H ILE 62 -5.693 13.885 -2.910 434 HA ILE 62 HA ILE 62 -8.572 14.108 -2.997 435 HB ILE 62 HB ILE 62 -6.742 13.853 -0.593 436 1HG1 ILE 62 2HG1 ILE 62 -8.312 11.706 -2.040 437 2HG1 ILE 62 1HG1 ILE 62 -6.586 11.975 -2.246 438 1HG2 ILE 62 1HG2 ILE 62 -9.641 13.081 -0.721 439 2HG2 ILE 62 2HG2 ILE 62 -9.148 14.726 -0.312 440 3HG2 ILE 62 3HG2 ILE 62 -8.633 13.376 0.698 441 1HD1 ILE 62 1HD1 ILE 62 -7.598 11.532 0.504 442 2HD1 ILE 62 2HD1 ILE 62 -6.065 11.070 -0.237 443 3HD1 ILE 62 3HD1 ILE 62 -7.528 10.158 -0.597 444 H SER 63 H SER 63 -9.086 16.159 -3.578 445 HA SER 63 HA SER 63 -7.639 18.447 -2.886 446 1HB SER 63 2HB SER 63 -9.641 19.679 -3.756 447 2HB SER 63 1HB SER 63 -9.015 18.445 -4.847 448 HG SER 63 HG SER 63 -10.744 17.138 -3.490 449 H GLY 64 H GLY 64 -7.501 19.527 -1.088 450 1HA GLY 64 2HA GLY 64 -8.990 20.764 0.567 451 2HA GLY 64 1HA GLY 64 -9.601 19.159 0.952 452 H SER 65 H SER 65 -7.067 17.850 0.668 453 HA SER 65 HA SER 65 -5.483 19.032 2.842 454 1HB SER 65 2HB SER 65 -6.313 16.120 2.671 455 2HB SER 65 1HB SER 65 -5.276 16.830 3.905 456 HG SER 65 HG SER 65 -8.041 17.253 3.453 457 H ASN 66 H ASN 66 -3.342 17.741 3.037 458 HA ASN 66 HA ASN 66 -2.162 17.678 0.401 459 1HB ASN 66 2HB ASN 66 -1.203 17.846 3.150 460 2HB ASN 66 1HB ASN 66 -0.221 16.770 2.158 461 1HD2 ASN 66 1HD2 ASN 66 0.873 17.605 0.376 462 2HD2 ASN 66 2HD2 ASN 66 1.161 19.304 0.197 463 H TYR 67 H TYR 67 -4.093 15.685 0.687 464 HA TYR 67 HA TYR 67 -2.432 13.270 0.751 465 1HB TYR 67 2HB TYR 67 -5.117 13.784 1.845 466 2HB TYR 67 1HB TYR 67 -4.929 12.254 0.992 467 HD1 TYR 67 HD1 TYR 67 -3.124 14.305 3.485 468 HD2 TYR 67 HD2 TYR 67 -4.232 10.428 2.229 469 HE1 TYR 67 HE1 TYR 67 -2.030 13.379 5.491 470 HE2 TYR 67 HE2 TYR 67 -3.151 9.458 4.213 471 HH TYR 67 HH TYR 67 -1.327 10.096 5.804 472 H GLU 68 H GLU 68 -3.074 11.565 -0.620 473 HA GLU 68 HA GLU 68 -4.382 12.460 -3.096 474 1HB GLU 68 2HB GLU 68 -1.839 12.556 -3.188 475 2HB GLU 68 1HB GLU 68 -1.859 10.807 -3.066 476 1HG GLU 68 2HG GLU 68 -2.665 10.524 -5.180 477 2HG GLU 68 1HG GLU 68 -3.480 12.089 -5.195 478 H TYR 69 H TYR 69 -4.577 10.277 -4.559 479 HA TYR 69 HA TYR 69 -5.920 8.370 -2.788 480 1HB TYR 69 2HB TYR 69 -7.346 10.396 -3.878 481 2HB TYR 69 1HB TYR 69 -7.407 9.249 -5.210 482 HD1 TYR 69 HD1 TYR 69 -7.306 8.150 -1.709 483 HD2 TYR 69 HD2 TYR 69 -9.798 8.942 -5.063 484 HE1 TYR 69 HE1 TYR 69 -9.180 7.048 -0.570 485 HE2 TYR 69 HE2 TYR 69 -11.675 7.815 -3.940 486 HH TYR 69 HH TYR 69 -12.226 6.422 -2.202 487 H TRP 70 H TRP 70 -5.520 6.377 -3.430 488 HA TRP 70 HA TRP 70 -4.275 6.068 -6.077 489 1HB TRP 70 2HB TRP 70 -3.536 4.668 -3.500 490 2HB TRP 70 1HB TRP 70 -2.659 4.620 -5.027 491 HD1 TRP 70 HD1 TRP 70 -3.583 7.242 -2.329 492 HE1 TRP 70 HE1 TRP 70 -1.684 8.959 -2.295 493 HE3 TRP 70 HE3 TRP 70 -0.848 5.545 -6.039 494 HZ2 TRP 70 HZ2 TRP 70 0.691 9.527 -3.625 495 HZ3 TRP 70 HZ3 TRP 70 1.286 6.594 -6.654 496 HH2 TRP 70 HH2 TRP 70 2.022 8.614 -5.466 497 H THR 71 H THR 71 -4.955 4.338 -7.266 498 HA THR 71 HA THR 71 -6.618 2.309 -5.947 499 HB THR 71 HB THR 71 -8.157 2.405 -7.976 500 HG1 THR 71 HG1 THR 71 -6.593 3.912 -9.091 501 1HG2 THR 71 1HG2 THR 71 -8.096 4.690 -6.013 502 2HG2 THR 71 2HG2 THR 71 -8.981 3.170 -5.869 503 3HG2 THR 71 3HG2 THR 71 -9.455 4.355 -7.090 504 H PHE 72 H PHE 72 -6.579 0.255 -6.996 505 HA PHE 72 HA PHE 72 -5.704 -0.012 -9.642 506 1HB PHE 72 2HB PHE 72 -3.532 -0.918 -9.478 507 2HB PHE 72 1HB PHE 72 -3.504 0.495 -8.431 508 HD1 PHE 72 HD1 PHE 72 -4.069 -0.002 -5.894 509 HD2 PHE 72 HD2 PHE 72 -2.689 -2.890 -8.699 510 HE1 PHE 72 HE1 PHE 72 -3.266 -1.410 -4.046 511 HE2 PHE 72 HE2 PHE 72 -1.889 -4.303 -6.855 512 HZ PHE 72 HZ PHE 72 -2.178 -3.564 -4.527 513 H SER 73 H SER 73 -5.468 -2.235 -10.341 514 HA SER 73 HA SER 73 -6.631 -4.193 -8.478 515 1HB SER 73 2HB SER 73 -7.550 -5.284 -10.615 516 2HB SER 73 1HB SER 73 -8.358 -3.820 -10.051 517 HG SER 73 HG SER 73 -6.397 -3.054 -11.658 518 H ALA 74 H ALA 74 -5.763 -6.278 -8.578 519 HA ALA 74 HA ALA 74 -3.321 -6.576 -10.192 520 1HB ALA 74 1HB ALA 74 -3.059 -7.552 -7.441 521 2HB ALA 74 2HB ALA 74 -3.187 -5.803 -7.576 522 3HB ALA 74 3HB ALA 74 -1.911 -6.661 -8.444 523 H SER 75 H SER 75 -3.322 -8.522 -11.187 524 HA SER 75 HA SER 75 -4.956 -10.673 -10.148 525 1HB SER 75 2HB SER 75 -4.671 -10.384 -12.600 526 2HB SER 75 1HB SER 75 -2.946 -10.705 -12.422 527 HG SER 75 HG SER 75 -4.988 -12.516 -11.617 528 H VAL 76 H VAL 76 -4.208 -11.404 -8.256 529 HA VAL 76 HA VAL 76 -1.340 -11.725 -7.877 530 HB VAL 76 HB VAL 76 -1.824 -12.093 -5.521 531 1HG1 VAL 76 1HG1 VAL 76 -2.999 -9.910 -5.035 532 2HG1 VAL 76 2HG1 VAL 76 -3.244 -9.768 -6.774 533 3HG1 VAL 76 3HG1 VAL 76 -1.608 -9.810 -6.121 534 1HG2 VAL 76 1HG2 VAL 76 -4.026 -12.098 -4.603 535 2HG2 VAL 76 2HG2 VAL 76 -3.971 -13.309 -5.883 536 3HG2 VAL 76 3HG2 VAL 76 -4.741 -11.756 -6.179 537 H LYS 77 H LYS 77 -0.488 -13.733 -7.013 538 HA LYS 77 HA LYS 77 -1.977 -16.035 -8.091 539 1HB LYS 77 2HB LYS 77 1.033 -15.765 -7.994 540 2HB LYS 77 1HB LYS 77 0.101 -17.013 -8.805 541 1HG LYS 77 2HG LYS 77 0.313 -14.112 -9.577 542 2HG LYS 77 1HG LYS 77 0.957 -15.504 -10.448 543 1HD LYS 77 2HD LYS 77 -1.347 -16.309 -10.815 544 2HD LYS 77 1HD LYS 77 -1.960 -14.867 -10.001 545 1HE LYS 77 2HE LYS 77 -0.764 -13.492 -11.710 546 2HE LYS 77 1HE LYS 77 -0.381 -14.987 -12.563 547 1HZ LYS 77 1HZ LYS 77 -2.298 -14.121 -13.583 548 2HZ LYS 77 2HZ LYS 77 -3.047 -13.781 -12.106 549 3HZ LYS 77 3HZ LYS 77 -2.858 -15.391 -12.605 550 H GLY 78 H GLY 78 -2.504 -15.366 -5.606 551 1HA GLY 78 2HA GLY 78 -2.652 -16.582 -3.584 552 2HA GLY 78 1HA GLY 78 -1.143 -17.393 -3.988 553 H ILE 79 H ILE 79 -2.354 -15.417 -1.775 554 HA ILE 79 HA ILE 79 0.181 -13.988 -1.445 555 HB ILE 79 HB ILE 79 -1.101 -12.328 -2.420 556 1HG1 ILE 79 2HG1 ILE 79 -1.447 -11.874 0.546 557 2HG1 ILE 79 1HG1 ILE 79 0.009 -11.521 -0.386 558 1HG2 ILE 79 1HG2 ILE 79 -3.425 -11.805 -1.229 559 2HG2 ILE 79 2HG2 ILE 79 -3.361 -13.544 -0.978 560 3HG2 ILE 79 3HG2 ILE 79 -3.267 -12.885 -2.609 561 1HD1 ILE 79 1HD1 ILE 79 -2.652 -10.237 -0.932 562 2HD1 ILE 79 2HD1 ILE 79 -1.097 -9.819 -1.616 563 3HD1 ILE 79 3HD1 ILE 79 -1.408 -9.542 0.096 564 H LYS 80 H LYS 80 0.962 -14.036 0.492 565 HA LYS 80 HA LYS 80 -0.395 -15.628 2.514 566 1HB LYS 80 2HB LYS 80 2.324 -15.402 1.789 567 2HB LYS 80 1HB LYS 80 2.192 -14.414 3.247 568 1HG LYS 80 2HG LYS 80 1.414 -17.314 3.031 569 2HG LYS 80 1HG LYS 80 2.876 -16.665 3.769 570 1HD LYS 80 2HD LYS 80 1.604 -16.928 5.644 571 2HD LYS 80 1HD LYS 80 1.117 -15.293 5.194 572 1HE LYS 80 2HE LYS 80 -0.814 -16.309 3.958 573 2HE LYS 80 1HE LYS 80 -0.366 -17.864 4.659 574 1HZ LYS 80 1HZ LYS 80 -2.055 -16.926 6.010 575 2HZ LYS 80 2HZ LYS 80 -1.263 -15.434 6.097 576 3HZ LYS 80 3HZ LYS 80 -0.603 -16.779 6.881 577 H GLU 81 H GLU 81 1.359 -12.595 2.435 578 HA GLU 81 HA GLU 81 -0.553 -11.229 4.159 579 1HB GLU 81 2HB GLU 81 2.342 -11.150 4.974 580 2HB GLU 81 1HB GLU 81 0.926 -10.709 5.910 581 1HG GLU 81 2HG GLU 81 0.322 -13.158 5.901 582 2HG GLU 81 1HG GLU 81 1.937 -13.443 5.248 583 H PHE 82 H PHE 82 0.387 -8.804 4.455 584 HA PHE 82 HA PHE 82 2.445 -8.093 2.654 585 1HB PHE 82 2HB PHE 82 1.303 -6.952 0.911 586 2HB PHE 82 1HB PHE 82 0.605 -8.560 1.022 587 HD1 PHE 82 HD1 PHE 82 0.019 -5.007 1.255 588 HD2 PHE 82 HD2 PHE 82 -1.651 -8.847 2.012 589 HE1 PHE 82 HE1 PHE 82 -2.220 -4.004 1.380 590 HE2 PHE 82 HE2 PHE 82 -3.893 -7.846 2.145 591 HZ PHE 82 HZ PHE 82 -4.178 -5.422 1.828 592 H TYR 83 H TYR 83 2.559 -5.732 2.212 593 HA TYR 83 HA TYR 83 1.103 -3.938 3.883 594 1HB TYR 83 2HB TYR 83 3.238 -2.958 4.899 595 2HB TYR 83 1HB TYR 83 2.606 -4.429 5.619 596 HD1 TYR 83 HD1 TYR 83 4.856 -3.872 2.646 597 HD2 TYR 83 HD2 TYR 83 4.360 -5.605 6.498 598 HE1 TYR 83 HE1 TYR 83 7.085 -4.911 2.472 599 HE2 TYR 83 HE2 TYR 83 6.579 -6.642 6.326 600 HH TYR 83 HH TYR 83 8.844 -5.756 3.967 601 H ILE 84 H ILE 84 1.528 -1.709 3.285 602 HA ILE 84 HA ILE 84 2.607 -1.558 0.560 603 HB ILE 84 HB ILE 84 1.062 0.626 1.960 604 1HG1 ILE 84 2HG1 ILE 84 -0.362 -1.348 2.040 605 2HG1 ILE 84 1HG1 ILE 84 -0.970 -0.227 0.824 606 1HG2 ILE 84 1HG2 ILE 84 0.491 1.241 -0.374 607 2HG2 ILE 84 2HG2 ILE 84 1.559 -0.050 -0.936 608 3HG2 ILE 84 3HG2 ILE 84 2.220 1.315 -0.031 609 1HD1 ILE 84 1HD1 ILE 84 0.560 -2.765 0.351 610 2HD1 ILE 84 2HD1 ILE 84 0.167 -1.594 -0.909 611 3HD1 ILE 84 3HD1 ILE 84 -1.125 -2.431 -0.044 612 H LYS 85 H LYS 85 4.124 0.155 0.011 613 HA LYS 85 HA LYS 85 5.271 1.486 2.335 614 1HB LYS 85 2HB LYS 85 7.533 1.197 1.345 615 2HB LYS 85 1HB LYS 85 6.797 -0.294 1.911 616 1HG LYS 85 2HG LYS 85 6.344 -1.011 -0.266 617 2HG LYS 85 1HG LYS 85 6.695 0.575 -0.953 618 1HD LYS 85 2HD LYS 85 9.010 0.364 -0.267 619 2HD LYS 85 1HD LYS 85 8.689 -1.226 0.419 620 1HE LYS 85 2HE LYS 85 8.158 -2.097 -1.770 621 2HE LYS 85 1HE LYS 85 8.324 -0.494 -2.485 622 1HZ LYS 85 1HZ LYS 85 10.513 -2.034 -1.188 623 2HZ LYS 85 2HZ LYS 85 10.667 -0.508 -1.906 624 3HZ LYS 85 3HZ LYS 85 10.289 -1.861 -2.860 625 H TYR 86 H TYR 86 6.295 3.365 1.925 626 HA TYR 86 HA TYR 86 5.280 4.771 -0.452 627 1HB TYR 86 2HB TYR 86 4.170 5.363 1.709 628 2HB TYR 86 1HB TYR 86 5.730 5.892 2.325 629 HD1 TYR 86 HD1 TYR 86 3.989 6.437 -0.924 630 HD2 TYR 86 HD2 TYR 86 5.709 8.196 2.533 631 HE1 TYR 86 HE1 TYR 86 3.580 8.645 -1.850 632 HE2 TYR 86 HE2 TYR 86 5.302 10.432 1.599 633 HH TYR 86 HH TYR 86 3.242 11.025 -0.892 634 H GLU 87 H GLU 87 6.926 5.164 -1.786 635 HA GLU 87 HA GLU 87 9.572 5.653 -0.616 636 1HB GLU 87 2HB GLU 87 9.222 3.688 -2.203 637 2HB GLU 87 1HB GLU 87 8.998 4.881 -3.475 638 1HG GLU 87 2HG GLU 87 11.223 5.726 -3.146 639 2HG GLU 87 1HG GLU 87 11.442 4.676 -1.750 640 H VAL 88 H VAL 88 10.235 7.665 -0.625 641 HA VAL 88 HA VAL 88 9.153 9.508 -2.652 642 HB VAL 88 HB VAL 88 9.959 10.568 -0.025 643 1HG1 VAL 88 1HG1 VAL 88 8.231 12.175 -0.410 644 2HG1 VAL 88 2HG1 VAL 88 7.664 11.262 -1.805 645 3HG1 VAL 88 3HG1 VAL 88 9.250 12.030 -1.842 646 1HG2 VAL 88 1HG2 VAL 88 7.430 9.026 -0.439 647 2HG2 VAL 88 2HG2 VAL 88 7.657 10.171 0.877 648 3HG2 VAL 88 3HG2 VAL 88 8.679 8.737 0.771 649 H SER 89 H SER 89 10.561 11.519 -2.832 650 HA SER 89 HA SER 89 13.031 10.897 -3.813 651 1HB SER 89 2HB SER 89 12.514 13.575 -2.555 652 2HB SER 89 1HB SER 89 13.386 13.197 -4.042 653 HG SER 89 HG SER 89 10.779 13.765 -3.702 654 H GLY 90 H GLY 90 12.271 12.120 -0.557 655 1HA GLY 90 2HA GLY 90 15.042 11.441 0.210 656 2HA GLY 90 1HA GLY 90 14.185 12.826 0.857 657 H LYS 91 H LYS 91 11.801 10.638 0.791 658 HA LYS 91 HA LYS 91 12.584 9.509 3.380 659 1HB LYS 91 2HB LYS 91 10.155 11.050 2.673 660 2HB LYS 91 1HB LYS 91 10.022 9.757 3.854 661 1HG LYS 91 2HG LYS 91 12.026 11.980 4.047 662 2HG LYS 91 1HG LYS 91 10.433 11.986 4.792 663 1HD LYS 91 2HD LYS 91 10.975 10.437 6.352 664 2HD LYS 91 1HD LYS 91 12.113 9.616 5.282 665 1HE LYS 91 2HE LYS 91 12.668 12.335 6.428 666 2HE LYS 91 1HE LYS 91 13.074 10.853 7.294 667 1HZ LYS 91 1HZ LYS 91 14.446 10.176 5.416 668 2HZ LYS 91 2HZ LYS 91 14.957 11.671 6.030 669 3HZ LYS 91 3HZ LYS 91 14.067 11.609 4.595 670 H THR 92 H THR 92 10.942 7.986 4.176 671 HA THR 92 HA THR 92 9.565 6.371 2.220 672 HB THR 92 HB THR 92 11.649 4.974 3.890 673 HG1 THR 92 HG1 THR 92 12.004 6.422 1.640 674 1HG2 THR 92 1HG2 THR 92 9.794 3.558 3.192 675 2HG2 THR 92 2HG2 THR 92 11.252 3.126 2.291 676 3HG2 THR 92 3HG2 THR 92 9.996 4.094 1.519 677 H TYR 93 H TYR 93 7.947 5.191 3.153 678 HA TYR 93 HA TYR 93 7.880 4.865 6.048 679 1HB TYR 93 2HB TYR 93 5.465 6.000 4.615 680 2HB TYR 93 1HB TYR 93 5.670 5.763 6.345 681 HD1 TYR 93 HD1 TYR 93 6.484 7.793 3.502 682 HD2 TYR 93 HD2 TYR 93 6.943 7.362 7.681 683 HE1 TYR 93 HE1 TYR 93 7.279 10.132 3.636 684 HE2 TYR 93 HE2 TYR 93 7.735 9.687 7.856 685 HH TYR 93 HH TYR 93 7.412 11.922 5.335 686 H TYR 94 H TYR 94 5.410 3.826 6.305 687 HA TYR 94 HA TYR 94 5.121 1.661 4.403 688 1HB TYR 94 2HB TYR 94 5.921 1.136 7.276 689 2HB TYR 94 1HB TYR 94 5.384 -0.091 6.141 690 HD1 TYR 94 HD1 TYR 94 6.832 -0.208 3.906 691 HD2 TYR 94 HD2 TYR 94 8.176 1.436 7.591 692 HE1 TYR 94 HE1 TYR 94 9.156 -0.615 3.227 693 HE2 TYR 94 HE2 TYR 94 10.507 1.052 6.915 694 HH TYR 94 HH TYR 94 11.418 0.303 3.764 695 H ASP 95 H ASP 95 3.131 0.677 4.524 696 HA ASP 95 HA ASP 95 1.390 1.413 6.786 697 1HB ASP 95 2HB ASP 95 0.517 2.324 4.667 698 2HB ASP 95 1HB ASP 95 0.570 0.716 3.950 699 H ASN 96 H ASN 96 1.964 -0.288 8.063 700 HA ASN 96 HA ASN 96 1.437 -2.988 7.019 701 1HB ASN 96 2HB ASN 96 3.426 -3.826 8.141 702 2HB ASN 96 1HB ASN 96 3.878 -2.522 7.050 703 1HD2 ASN 96 1HD2 ASN 96 5.337 -3.527 9.322 704 2HD2 ASN 96 2HD2 ASN 96 5.512 -2.203 10.428 705 H ASN 97 H ASN 97 -0.279 -1.319 8.591 706 HA ASN 97 HA ASN 97 -1.563 -1.258 10.439 707 1HB ASN 97 2HB ASN 97 -1.189 -3.881 10.059 708 2HB ASN 97 1HB ASN 97 -0.379 -3.719 11.615 709 1HD2 ASN 97 1HD2 ASN 97 -2.866 -5.054 10.782 710 2HD2 ASN 97 2HD2 ASN 97 -4.094 -4.393 11.826 711 H ASN 98 H ASN 98 1.541 -2.658 11.418 712 HA ASN 98 HA ASN 98 2.612 -0.416 12.683 713 1HB ASN 98 2HB ASN 98 0.771 -0.740 14.334 714 2HB ASN 98 1HB ASN 98 1.347 -2.376 14.627 715 1HD2 ASN 98 1HD2 ASN 98 3.403 0.434 14.136 716 2HD2 ASN 98 2HD2 ASN 98 4.051 0.461 15.738 717 H SER 99 H SER 99 2.179 -3.855 13.245 718 HA SER 99 HA SER 99 4.608 -4.648 12.068 719 1HB SER 99 2HB SER 99 5.473 -3.674 14.249 720 2HB SER 99 1HB SER 99 4.539 -4.908 15.094 721 HG SER 99 HG SER 99 5.772 -6.450 13.732 722 H ALA 100 H ALA 100 2.695 -5.731 11.141 723 HA ALA 100 HA ALA 100 1.914 -8.127 12.607 724 1HB ALA 100 1HB ALA 100 -0.512 -7.613 12.214 725 2HB ALA 100 2HB ALA 100 -0.024 -5.973 11.791 726 3HB ALA 100 3HB ALA 100 0.282 -6.593 13.413 727 H ASN 101 H ASN 101 1.786 -6.199 9.659 728 HA ASN 101 HA ASN 101 1.518 -6.725 7.443 729 1HB ASN 101 2HB ASN 101 1.835 -9.593 8.343 730 2HB ASN 101 1HB ASN 101 1.780 -9.051 6.669 731 1HD2 ASN 101 1HD2 ASN 101 3.883 -10.505 7.733 732 2HD2 ASN 101 2HD2 ASN 101 5.286 -9.491 7.761 733 H TYR 102 H TYR 102 -0.209 -7.184 6.059 734 HA TYR 102 HA TYR 102 -2.702 -7.748 7.417 735 1HB TYR 102 2HB TYR 102 -2.122 -7.151 4.507 736 2HB TYR 102 1HB TYR 102 -3.733 -7.306 5.204 737 HD1 TYR 102 HD1 TYR 102 -0.794 -5.172 4.867 738 HD2 TYR 102 HD2 TYR 102 -4.594 -5.590 6.736 739 HE1 TYR 102 HE1 TYR 102 -0.756 -2.790 5.461 740 HE2 TYR 102 HE2 TYR 102 -4.564 -3.206 7.338 741 HH TYR 102 HH TYR 102 -2.248 -1.009 6.039 742 H GLN 103 H GLN 103 -3.063 -9.807 7.912 743 HA GLN 103 HA GLN 103 -1.979 -12.012 6.477 744 1HB GLN 103 2HB GLN 103 -4.040 -11.754 8.654 745 2HB GLN 103 1HB GLN 103 -3.764 -13.286 7.859 746 1HG GLN 103 2HG GLN 103 -2.569 -13.169 9.945 747 2HG GLN 103 1HG GLN 103 -1.457 -13.290 8.585 748 1HE2 GLN 103 1HE2 GLN 103 -0.172 -11.601 8.083 749 2HE2 GLN 103 2HE2 GLN 103 0.094 -10.257 9.144 750 H VAL 104 H VAL 104 -2.646 -12.666 4.533 751 HA VAL 104 HA VAL 104 -5.426 -12.146 3.763 752 HB VAL 104 HB VAL 104 -3.336 -13.235 1.905 753 1HG1 VAL 104 1HG1 VAL 104 -4.692 -11.971 0.246 754 2HG1 VAL 104 2HG1 VAL 104 -5.815 -11.565 1.541 755 3HG1 VAL 104 3HG1 VAL 104 -5.581 -13.249 1.076 756 1HG2 VAL 104 1HG2 VAL 104 -3.761 -10.296 2.405 757 2HG2 VAL 104 2HG2 VAL 104 -2.600 -11.044 1.314 758 3HG2 VAL 104 3HG2 VAL 104 -2.415 -11.224 3.058 759 H SER 105 H SER 105 -6.851 -13.763 3.473 760 HA SER 105 HA SER 105 -5.950 -16.491 3.109 761 1HB SER 105 2HB SER 105 -6.022 -16.138 5.596 762 2HB SER 105 1HB SER 105 -7.738 -15.768 5.448 763 HG SER 105 HG SER 105 -8.108 -17.827 5.453 764 H THR 106 H THR 106 -7.564 -17.810 2.203 765 HA THR 106 HA THR 106 -9.778 -16.363 1.024 766 HB THR 106 HB THR 106 -10.169 -18.798 0.057 767 HG1 THR 106 HG1 THR 106 -8.681 -20.070 0.928 768 1HG2 THR 106 1HG2 THR 106 -9.461 -16.716 -1.170 769 2HG2 THR 106 2HG2 THR 106 -8.830 -18.224 -1.834 770 3HG2 THR 106 3HG2 THR 106 -7.789 -17.188 -0.857 Start of MODEL 11 1 1H ALA 1 1H ALA 1 -11.598 6.646 2.656 2 2H ALA 1 2H ALA 1 -10.043 7.008 3.198 3 3H ALA 1 3H ALA 1 -11.131 8.263 2.854 4 HA ALA 1 HA ALA 1 -12.604 7.297 4.637 5 1HB ALA 1 1HB ALA 1 -11.499 5.906 6.303 6 2HB ALA 1 2HB ALA 1 -10.022 5.898 5.339 7 3HB ALA 1 3HB ALA 1 -11.481 5.119 4.725 8 H SER 2 H SER 2 -11.072 7.408 7.142 9 HA SER 2 HA SER 2 -11.017 10.188 7.514 10 1HB SER 2 2HB SER 2 -9.704 8.044 9.202 11 2HB SER 2 1HB SER 2 -10.141 9.668 9.730 12 HG SER 2 HG SER 2 -12.076 8.970 10.095 13 H ILE 3 H ILE 3 -9.223 11.547 8.106 14 HA ILE 3 HA ILE 3 -6.921 11.132 6.405 15 HB ILE 3 HB ILE 3 -7.551 13.406 8.285 16 1HG1 ILE 3 2HG1 ILE 3 -7.882 13.300 5.283 17 2HG1 ILE 3 1HG1 ILE 3 -9.200 12.997 6.412 18 1HG2 ILE 3 1HG2 ILE 3 -5.899 14.661 6.980 19 2HG2 ILE 3 2HG2 ILE 3 -5.543 13.212 6.040 20 3HG2 ILE 3 3HG2 ILE 3 -5.172 13.257 7.762 21 1HD1 ILE 3 1HD1 ILE 3 -7.632 15.544 6.115 22 2HD1 ILE 3 2HD1 ILE 3 -8.857 15.245 7.345 23 3HD1 ILE 3 3HD1 ILE 3 -9.310 15.265 5.642 24 HA PRO 4 HA PRO 4 -4.606 9.217 9.739 25 1HB PRO 4 2HB PRO 4 -2.215 9.166 8.419 26 2HB PRO 4 1HB PRO 4 -3.500 7.983 8.151 27 1HG PRO 4 2HG PRO 4 -2.806 10.417 6.550 28 2HG PRO 4 1HG PRO 4 -3.241 8.791 5.986 29 1HD PRO 4 2HD PRO 4 -5.008 10.817 5.992 30 2HD PRO 4 1HD PRO 4 -5.501 9.144 6.329 31 H SER 5 H SER 5 -3.291 9.961 11.347 32 HA SER 5 HA SER 5 -2.069 12.614 10.948 33 1HB SER 5 2HB SER 5 -4.070 12.676 12.428 34 2HB SER 5 1HB SER 5 -3.273 11.537 13.510 35 HG SER 5 HG SER 5 -2.992 13.676 14.217 36 H SER 6 H SER 6 -1.785 9.389 12.209 37 HA SER 6 HA SER 6 0.596 9.769 13.686 38 1HB SER 6 2HB SER 6 0.686 7.256 13.555 39 2HB SER 6 1HB SER 6 -0.836 7.915 14.161 40 HG SER 6 HG SER 6 -1.610 6.610 12.673 41 H ALA 7 H ALA 7 0.251 7.795 10.746 42 HA ALA 7 HA ALA 7 3.067 8.297 10.153 43 1HB ALA 7 1HB ALA 7 2.960 6.386 8.714 44 2HB ALA 7 2HB ALA 7 1.201 6.343 8.823 45 3HB ALA 7 3HB ALA 7 2.181 5.970 10.243 46 H SER 8 H SER 8 3.546 8.254 7.711 47 HA SER 8 HA SER 8 2.328 10.602 6.587 48 1HB SER 8 2HB SER 8 4.443 8.773 5.429 49 2HB SER 8 1HB SER 8 4.055 10.401 4.875 50 HG SER 8 HG SER 8 4.582 10.998 7.176 51 H VAL 9 H VAL 9 1.781 7.251 6.371 52 HA VAL 9 HA VAL 9 0.017 7.672 4.088 53 HB VAL 9 HB VAL 9 1.931 6.800 3.003 54 1HG1 VAL 9 1HG1 VAL 9 2.932 4.622 3.808 55 2HG1 VAL 9 2HG1 VAL 9 2.086 4.929 5.332 56 3HG1 VAL 9 3HG1 VAL 9 3.292 6.072 4.739 57 1HG2 VAL 9 1HG2 VAL 9 -0.147 5.699 2.316 58 2HG2 VAL 9 2HG2 VAL 9 0.112 4.447 3.533 59 3HG2 VAL 9 3HG2 VAL 9 1.235 4.610 2.182 60 H GLN 10 H GLN 10 -1.675 6.159 3.940 61 HA GLN 10 HA GLN 10 -2.145 4.402 6.224 62 1HB GLN 10 2HB GLN 10 -3.086 6.440 7.027 63 2HB GLN 10 1HB GLN 10 -3.803 6.804 5.464 64 1HG GLN 10 2HG GLN 10 -5.241 4.759 5.790 65 2HG GLN 10 1HG GLN 10 -4.656 4.730 7.454 66 1HE2 GLN 10 1HE2 GLN 10 -6.540 6.465 5.105 67 2HE2 GLN 10 2HE2 GLN 10 -7.361 7.501 6.225 68 H LEU 11 H LEU 11 -2.988 2.547 5.478 69 HA LEU 11 HA LEU 11 -4.017 2.227 2.848 70 1HB LEU 11 2HB LEU 11 -3.075 0.336 4.028 71 2HB LEU 11 1HB LEU 11 -4.252 0.507 5.318 72 HG LEU 11 HG LEU 11 -6.033 0.038 3.555 73 1HD1 LEU 11 1HD1 LEU 11 -3.572 -0.785 2.030 74 2HD1 LEU 11 2HD1 LEU 11 -4.787 0.401 1.555 75 3HD1 LEU 11 3HD1 LEU 11 -5.208 -1.310 1.633 76 1HD2 LEU 11 1HD2 LEU 11 -4.182 -2.276 3.954 77 2HD2 LEU 11 2HD2 LEU 11 -5.946 -2.228 4.015 78 3HD2 LEU 11 3HD2 LEU 11 -4.997 -1.526 5.324 79 H ASP 12 H ASP 12 -6.084 2.294 2.105 80 HA ASP 12 HA ASP 12 -8.072 3.405 3.928 81 1HB ASP 12 2HB ASP 12 -7.447 4.150 1.431 82 2HB ASP 12 1HB ASP 12 -8.699 2.979 1.057 83 H SER 13 H SER 13 -7.748 0.780 1.557 84 HA SER 13 HA SER 13 -8.836 -1.253 3.098 85 1HB SER 13 2HB SER 13 -11.107 -1.493 1.973 86 2HB SER 13 1HB SER 13 -10.976 -0.190 3.151 87 HG SER 13 HG SER 13 -11.398 1.183 1.633 88 H TYR 14 H TYR 14 -9.282 -3.179 1.984 89 HA TYR 14 HA TYR 14 -8.861 -3.375 -0.866 90 1HB TYR 14 2HB TYR 14 -6.930 -4.837 -0.735 91 2HB TYR 14 1HB TYR 14 -6.544 -3.293 0.007 92 HD1 TYR 14 HD1 TYR 14 -7.466 -6.768 0.746 93 HD2 TYR 14 HD2 TYR 14 -5.778 -3.197 2.241 94 HE1 TYR 14 HE1 TYR 14 -6.668 -8.001 2.711 95 HE2 TYR 14 HE2 TYR 14 -5.001 -4.392 4.248 96 HH TYR 14 HH TYR 14 -5.622 -6.479 5.513 97 H ASN 15 H ASN 15 -9.266 -5.611 -1.597 98 HA ASN 15 HA ASN 15 -10.412 -7.424 0.358 99 1HB ASN 15 2HB ASN 15 -12.258 -5.855 -0.193 100 2HB ASN 15 1HB ASN 15 -12.117 -6.313 -1.885 101 1HD2 ASN 15 1HD2 ASN 15 -12.905 -7.471 1.332 102 2HD2 ASN 15 2HD2 ASN 15 -13.888 -8.801 0.817 103 H TYR 16 H TYR 16 -11.190 -9.445 -0.733 104 HA TYR 16 HA TYR 16 -9.320 -10.113 -2.916 105 1HB TYR 16 2HB TYR 16 -9.040 -11.022 -0.457 106 2HB TYR 16 1HB TYR 16 -10.316 -12.126 -0.947 107 HD1 TYR 16 HD1 TYR 16 -7.132 -10.853 -2.456 108 HD2 TYR 16 HD2 TYR 16 -9.578 -14.212 -1.530 109 HE1 TYR 16 HE1 TYR 16 -5.439 -12.348 -3.424 110 HE2 TYR 16 HE2 TYR 16 -7.895 -15.713 -2.510 111 HH TYR 16 HH TYR 16 -6.050 -15.682 -4.039 112 H ASP 17 H ASP 17 -10.064 -11.482 -4.520 113 HA ASP 17 HA ASP 17 -12.873 -12.264 -4.539 114 1HB ASP 17 2HB ASP 17 -12.669 -9.921 -5.473 115 2HB ASP 17 1HB ASP 17 -11.668 -10.590 -6.757 116 H GLY 18 H GLY 18 -12.570 -14.432 -4.874 117 1HA GLY 18 2HA GLY 18 -11.743 -16.397 -5.784 118 2HA GLY 18 1HA GLY 18 -11.361 -15.465 -7.234 119 H SER 19 H SER 19 -9.241 -15.019 -7.652 120 HA SER 19 HA SER 19 -7.609 -14.479 -5.273 121 1HB SER 19 2HB SER 19 -6.675 -15.873 -7.800 122 2HB SER 19 1HB SER 19 -5.598 -15.280 -6.533 123 HG SER 19 HG SER 19 -7.713 -16.979 -5.814 124 H THR 20 H THR 20 -8.259 -12.344 -5.525 125 HA THR 20 HA THR 20 -6.795 -10.868 -7.555 126 HB THR 20 HB THR 20 -9.727 -10.302 -7.064 127 HG1 THR 20 HG1 THR 20 -9.948 -12.050 -8.278 128 1HG2 THR 20 1HG2 THR 20 -8.311 -8.410 -7.816 129 2HG2 THR 20 2HG2 THR 20 -9.529 -8.863 -9.007 130 3HG2 THR 20 3HG2 THR 20 -7.850 -9.353 -9.234 131 H PHE 21 H PHE 21 -5.978 -8.995 -6.747 132 HA PHE 21 HA PHE 21 -6.811 -8.134 -4.062 133 1HB PHE 21 2HB PHE 21 -4.344 -8.342 -4.723 134 2HB PHE 21 1HB PHE 21 -4.607 -6.963 -5.784 135 HD1 PHE 21 HD1 PHE 21 -3.840 -8.037 -2.501 136 HD2 PHE 21 HD2 PHE 21 -5.441 -4.785 -4.709 137 HE1 PHE 21 HE1 PHE 21 -3.417 -6.541 -0.590 138 HE2 PHE 21 HE2 PHE 21 -5.015 -3.278 -2.813 139 HZ PHE 21 HZ PHE 21 -4.000 -4.156 -0.748 140 H SER 22 H SER 22 -7.879 -6.260 -3.752 141 HA SER 22 HA SER 22 -7.956 -4.274 -5.835 142 1HB SER 22 2HB SER 22 -10.402 -4.213 -6.002 143 2HB SER 22 1HB SER 22 -9.765 -5.769 -6.540 144 HG SER 22 HG SER 22 -10.268 -6.557 -4.395 145 H GLY 23 H GLY 23 -7.871 -2.338 -4.911 146 1HA GLY 23 2HA GLY 23 -9.370 -1.502 -2.712 147 2HA GLY 23 1HA GLY 23 -7.825 -2.078 -2.104 148 H LYS 24 H LYS 24 -7.522 0.130 -1.381 149 HA LYS 24 HA LYS 24 -6.118 1.703 -3.322 150 1HB LYS 24 2HB LYS 24 -7.498 3.705 -3.172 151 2HB LYS 24 1HB LYS 24 -8.409 2.358 -3.852 152 1HG LYS 24 2HG LYS 24 -8.563 3.024 -0.929 153 2HG LYS 24 1HG LYS 24 -9.529 3.905 -2.108 154 1HD LYS 24 2HD LYS 24 -9.572 0.909 -2.039 155 2HD LYS 24 1HD LYS 24 -10.546 1.842 -0.901 156 1HE LYS 24 2HE LYS 24 -10.648 2.106 -3.907 157 2HE LYS 24 1HE LYS 24 -11.800 1.200 -2.926 158 1HZ LYS 24 1HZ LYS 24 -12.650 3.395 -3.458 159 2HZ LYS 24 2HZ LYS 24 -11.293 4.125 -2.753 160 3HZ LYS 24 3HZ LYS 24 -12.384 3.258 -1.789 161 H ILE 25 H ILE 25 -5.269 3.757 -2.322 162 HA ILE 25 HA ILE 25 -4.704 3.342 0.540 163 HB ILE 25 HB ILE 25 -2.569 3.967 -1.508 164 1HG1 ILE 25 2HG1 ILE 25 -3.131 1.298 -0.191 165 2HG1 ILE 25 1HG1 ILE 25 -3.547 1.691 -1.856 166 1HG2 ILE 25 1HG2 ILE 25 -2.077 4.715 0.760 167 2HG2 ILE 25 2HG2 ILE 25 -1.030 3.370 0.309 168 3HG2 ILE 25 3HG2 ILE 25 -2.403 3.096 1.379 169 1HD1 ILE 25 1HD1 ILE 25 -0.773 1.590 -0.694 170 2HD1 ILE 25 2HD1 ILE 25 -1.176 2.009 -2.358 171 3HD1 ILE 25 3HD1 ILE 25 -1.513 0.389 -1.752 172 H TYR 26 H TYR 26 -3.830 5.209 1.612 173 HA TYR 26 HA TYR 26 -4.393 7.797 0.288 174 1HB TYR 26 2HB TYR 26 -6.143 7.060 1.960 175 2HB TYR 26 1HB TYR 26 -4.884 7.070 3.190 176 HD1 TYR 26 HD1 TYR 26 -3.524 9.442 3.181 177 HD2 TYR 26 HD2 TYR 26 -7.566 8.866 1.998 178 HE1 TYR 26 HE1 TYR 26 -3.996 11.790 3.684 179 HE2 TYR 26 HE2 TYR 26 -8.048 11.229 2.490 180 HH TYR 26 HH TYR 26 -7.184 13.071 3.770 181 H VAL 27 H VAL 27 -2.406 8.895 0.134 182 HA VAL 27 HA VAL 27 -0.665 8.663 2.500 183 HB VAL 27 HB VAL 27 1.231 8.219 1.352 184 1HG1 VAL 27 1HG1 VAL 27 -0.082 6.320 0.841 185 2HG1 VAL 27 2HG1 VAL 27 0.800 6.758 -0.621 186 3HG1 VAL 27 3HG1 VAL 27 -0.904 7.163 -0.469 187 1HG2 VAL 27 1HG2 VAL 27 1.384 8.755 -1.203 188 2HG2 VAL 27 2HG2 VAL 27 1.633 10.007 0.001 189 3HG2 VAL 27 3HG2 VAL 27 0.083 9.889 -0.828 190 H LYS 28 H LYS 28 0.537 10.426 3.096 191 HA LYS 28 HA LYS 28 -0.404 13.011 2.282 192 1HB LYS 28 2HB LYS 28 1.863 12.257 4.136 193 2HB LYS 28 1HB LYS 28 1.161 13.861 3.965 194 1HG LYS 28 2HG LYS 28 -0.999 12.939 4.747 195 2HG LYS 28 1HG LYS 28 -0.182 11.403 5.035 196 1HD LYS 28 2HD LYS 28 1.266 12.412 6.666 197 2HD LYS 28 1HD LYS 28 0.637 14.018 6.288 198 1HE LYS 28 2HE LYS 28 -1.591 13.287 7.055 199 2HE LYS 28 1HE LYS 28 -0.901 11.729 7.503 200 1HZ LYS 28 1HZ LYS 28 -1.147 13.399 9.340 201 2HZ LYS 28 2HZ LYS 28 0.092 14.294 8.607 202 3HZ LYS 28 3HZ LYS 28 0.401 12.727 9.173 203 H ASN 29 H ASN 29 0.881 14.654 1.398 204 HA ASN 29 HA ASN 29 2.991 13.671 -0.353 205 1HB ASN 29 2HB ASN 29 1.359 16.210 -0.324 206 2HB ASN 29 1HB ASN 29 2.778 16.015 -1.360 207 1HD2 ASN 29 1HD2 ASN 29 -0.072 16.347 -2.023 208 2HD2 ASN 29 2HD2 ASN 29 -0.466 14.989 -3.021 209 H ILE 30 H ILE 30 4.583 13.425 1.290 210 HA ILE 30 HA ILE 30 5.581 15.549 2.880 211 HB ILE 30 HB ILE 30 7.459 13.493 1.782 212 1HG1 ILE 30 2HG1 ILE 30 5.453 12.179 2.228 213 2HG1 ILE 30 1HG1 ILE 30 6.696 11.825 3.418 214 1HG2 ILE 30 1HG2 ILE 30 8.271 15.155 3.353 215 2HG2 ILE 30 2HG2 ILE 30 8.341 13.536 4.053 216 3HG2 ILE 30 3HG2 ILE 30 7.060 14.648 4.532 217 1HD1 ILE 30 1HD1 ILE 30 4.549 11.932 4.471 218 2HD1 ILE 30 2HD1 ILE 30 4.267 13.546 3.820 219 3HD1 ILE 30 3HD1 ILE 30 5.536 13.290 5.021 220 H ALA 31 H ALA 31 6.893 14.111 -0.060 221 HA ALA 31 HA ALA 31 7.664 16.765 -1.008 222 1HB ALA 31 1HB ALA 31 9.602 15.301 -0.797 223 2HB ALA 31 2HB ALA 31 9.243 15.566 -2.504 224 3HB ALA 31 3HB ALA 31 8.785 14.048 -1.730 225 H TYR 32 H TYR 32 7.909 15.559 -3.747 226 HA TYR 32 HA TYR 32 5.022 15.316 -4.199 227 1HB TYR 32 2HB TYR 32 6.105 17.337 -5.070 228 2HB TYR 32 1HB TYR 32 7.099 16.337 -6.128 229 HD1 TYR 32 HD1 TYR 32 3.497 16.788 -5.258 230 HD2 TYR 32 HD2 TYR 32 6.364 16.086 -8.316 231 HE1 TYR 32 HE1 TYR 32 1.701 16.840 -6.942 232 HE2 TYR 32 HE2 TYR 32 4.581 16.128 -10.010 233 HH TYR 32 HH TYR 32 2.155 15.778 -10.149 234 H SER 33 H SER 33 8.112 14.301 -5.686 235 HA SER 33 HA SER 33 6.928 12.264 -7.256 236 1HB SER 33 2HB SER 33 9.137 13.252 -7.769 237 2HB SER 33 1HB SER 33 9.799 12.509 -6.301 238 HG SER 33 HG SER 33 9.432 11.437 -8.759 239 H LYS 34 H LYS 34 5.887 10.564 -6.436 240 HA LYS 34 HA LYS 34 6.975 9.285 -4.020 241 1HB LYS 34 2HB LYS 34 4.189 9.114 -5.167 242 2HB LYS 34 1HB LYS 34 4.733 8.457 -3.635 243 1HG LYS 34 2HG LYS 34 4.722 11.365 -4.320 244 2HG LYS 34 1HG LYS 34 3.420 10.538 -3.470 245 1HD LYS 34 2HD LYS 34 4.676 10.226 -1.562 246 2HD LYS 34 1HD LYS 34 6.211 10.333 -2.430 247 1HE LYS 34 2HE LYS 34 5.424 12.304 -0.918 248 2HE LYS 34 1HE LYS 34 6.179 12.630 -2.477 249 1HZ LYS 34 1HZ LYS 34 3.257 12.624 -1.917 250 2HZ LYS 34 2HZ LYS 34 3.955 12.859 -3.441 251 3HZ LYS 34 3HZ LYS 34 4.225 13.986 -2.207 252 H LYS 35 H LYS 35 6.594 6.954 -3.916 253 HA LYS 35 HA LYS 35 5.985 5.593 -6.387 254 1HB LYS 35 2HB LYS 35 7.990 4.176 -6.389 255 2HB LYS 35 1HB LYS 35 8.396 5.865 -6.650 256 1HG LYS 35 2HG LYS 35 9.094 6.053 -4.320 257 2HG LYS 35 1HG LYS 35 8.680 4.356 -4.071 258 1HD LYS 35 2HD LYS 35 11.038 4.461 -4.399 259 2HD LYS 35 1HD LYS 35 10.341 3.791 -5.875 260 1HE LYS 35 2HE LYS 35 10.947 6.720 -5.569 261 2HE LYS 35 1HE LYS 35 12.155 5.567 -6.130 262 1HZ LYS 35 1HZ LYS 35 9.513 5.862 -7.439 263 2HZ LYS 35 2HZ LYS 35 10.895 5.094 -8.041 264 3HZ LYS 35 3HZ LYS 35 10.858 6.779 -7.892 265 H VAL 36 H VAL 36 4.503 4.235 -5.785 266 HA VAL 36 HA VAL 36 4.569 3.302 -3.011 267 HB VAL 36 HB VAL 36 2.213 3.728 -4.847 268 1HG1 VAL 36 1HG1 VAL 36 0.822 2.942 -3.132 269 2HG1 VAL 36 2HG1 VAL 36 2.140 2.913 -1.989 270 3HG1 VAL 36 3HG1 VAL 36 2.081 1.721 -3.282 271 1HG2 VAL 36 1HG2 VAL 36 3.262 5.709 -3.822 272 2HG2 VAL 36 2HG2 VAL 36 2.971 5.016 -2.234 273 3HG2 VAL 36 3HG2 VAL 36 1.612 5.443 -3.275 274 H THR 37 H THR 37 5.140 1.356 -2.756 275 HA THR 37 HA THR 37 4.711 -0.562 -4.940 276 HB THR 37 HB THR 37 6.859 -1.651 -4.082 277 HG1 THR 37 HG1 THR 37 7.218 0.967 -2.986 278 1HG2 THR 37 1HG2 THR 37 6.507 0.784 -5.695 279 2HG2 THR 37 2HG2 THR 37 7.260 -0.755 -6.118 280 3HG2 THR 37 3HG2 THR 37 8.165 0.445 -5.193 281 H VAL 38 H VAL 38 3.156 -1.833 -4.310 282 HA VAL 38 HA VAL 38 2.768 -2.624 -1.569 283 HB VAL 38 HB VAL 38 1.509 -3.686 -4.113 284 1HG1 VAL 38 1HG1 VAL 38 -0.063 -4.862 -2.599 285 2HG1 VAL 38 2HG1 VAL 38 0.910 -4.364 -1.225 286 3HG1 VAL 38 3HG1 VAL 38 1.586 -5.451 -2.438 287 1HG2 VAL 38 1HG2 VAL 38 -0.154 -2.440 -2.079 288 2HG2 VAL 38 2HG2 VAL 38 -0.143 -2.196 -3.825 289 3HG2 VAL 38 3HG2 VAL 38 1.012 -1.334 -2.804 290 H VAL 39 H VAL 39 4.237 -3.912 -0.682 291 HA VAL 39 HA VAL 39 5.065 -6.242 -2.277 292 HB VAL 39 HB VAL 39 6.517 -6.683 -0.102 293 1HG1 VAL 39 1HG1 VAL 39 7.359 -6.384 -2.393 294 2HG1 VAL 39 2HG1 VAL 39 8.379 -5.558 -1.222 295 3HG1 VAL 39 3HG1 VAL 39 7.255 -4.632 -2.214 296 1HG2 VAL 39 1HG2 VAL 39 7.400 -4.572 0.813 297 2HG2 VAL 39 2HG2 VAL 39 5.685 -4.779 1.166 298 3HG2 VAL 39 3HG2 VAL 39 6.196 -3.670 -0.108 299 H TYR 40 H TYR 40 3.713 -7.888 -2.075 300 HA TYR 40 HA TYR 40 2.780 -8.400 0.646 301 1HB TYR 40 2HB TYR 40 0.998 -9.732 -0.149 302 2HB TYR 40 1HB TYR 40 0.956 -8.211 -1.013 303 HD1 TYR 40 HD1 TYR 40 0.135 -8.472 -2.978 304 HD2 TYR 40 HD2 TYR 40 2.693 -11.519 -1.674 305 HE1 TYR 40 HE1 TYR 40 -0.175 -9.601 -5.158 306 HE2 TYR 40 HE2 TYR 40 2.431 -12.696 -3.816 307 HH TYR 40 HH TYR 40 0.746 -12.818 -5.630 308 H ALA 41 H ALA 41 3.101 -10.230 1.591 309 HA ALA 41 HA ALA 41 5.034 -12.018 0.425 310 1HB ALA 41 1HB ALA 41 5.471 -12.600 2.493 311 2HB ALA 41 2HB ALA 41 3.786 -12.846 2.910 312 3HB ALA 41 3HB ALA 41 4.493 -11.237 3.000 313 H ASP 42 H ASP 42 4.154 -12.954 -1.142 314 HA ASP 42 HA ASP 42 1.691 -13.749 -1.820 315 1HB ASP 42 2HB ASP 42 2.682 -15.542 -3.168 316 2HB ASP 42 1HB ASP 42 3.632 -14.065 -3.261 317 H GLY 43 H GLY 43 0.830 -16.037 -2.047 318 1HA GLY 43 2HA GLY 43 -0.240 -16.530 0.508 319 2HA GLY 43 1HA GLY 43 -0.557 -17.471 -0.934 320 H SER 44 H SER 44 2.708 -17.560 -0.511 321 HA SER 44 HA SER 44 2.640 -20.184 0.669 322 1HB SER 44 2HB SER 44 4.206 -19.589 -1.172 323 2HB SER 44 1HB SER 44 5.014 -18.468 -0.077 324 HG SER 44 HG SER 44 5.664 -20.189 1.187 325 H ASP 45 H ASP 45 3.133 -16.905 1.712 326 HA ASP 45 HA ASP 45 3.280 -16.023 3.811 327 1HB ASP 45 2HB ASP 45 2.042 -18.104 4.610 328 2HB ASP 45 1HB ASP 45 3.613 -18.828 4.916 329 H ASN 46 H ASN 46 5.298 -16.062 2.076 330 HA ASN 46 HA ASN 46 7.685 -16.417 3.742 331 1HB ASN 46 2HB ASN 46 7.243 -17.693 1.037 332 2HB ASN 46 1HB ASN 46 8.853 -17.394 1.679 333 1HD2 ASN 46 1HD2 ASN 46 9.609 -18.628 3.373 334 2HD2 ASN 46 2HD2 ASN 46 8.834 -20.095 3.872 335 H TRP 47 H TRP 47 9.323 -14.921 3.214 336 HA TRP 47 HA TRP 47 8.684 -13.286 0.896 337 1HB TRP 47 2HB TRP 47 8.774 -12.297 3.447 338 2HB TRP 47 1HB TRP 47 10.331 -11.843 2.733 339 HD1 TRP 47 HD1 TRP 47 9.723 -11.509 -0.171 340 HE1 TRP 47 HE1 TRP 47 8.078 -9.741 -1.082 341 HE3 TRP 47 HE3 TRP 47 7.139 -10.538 4.098 342 HZ2 TRP 47 HZ2 TRP 47 5.961 -8.260 -0.075 343 HZ3 TRP 47 HZ3 TRP 47 5.356 -8.962 3.989 344 HH2 TRP 47 HH2 TRP 47 4.757 -7.822 1.976 345 H ASN 48 H ASN 48 10.085 -13.567 -0.680 346 HA ASN 48 HA ASN 48 12.895 -14.135 -0.122 347 1HB ASN 48 2HB ASN 48 11.507 -15.100 -2.111 348 2HB ASN 48 1HB ASN 48 11.758 -13.509 -2.841 349 1HD2 ASN 48 1HD2 ASN 48 12.944 -14.424 -4.523 350 2HD2 ASN 48 2HD2 ASN 48 14.577 -14.971 -4.296 351 H ASN 49 H ASN 49 11.338 -11.645 0.496 352 HA ASN 49 HA ASN 49 11.611 -9.406 0.625 353 1HB ASN 49 2HB ASN 49 14.318 -10.028 -0.569 354 2HB ASN 49 1HB ASN 49 13.827 -8.421 -0.034 355 1HD2 ASN 49 1HD2 ASN 49 15.980 -10.161 0.895 356 2HD2 ASN 49 2HD2 ASN 49 15.712 -10.373 2.593 357 H ASN 50 H ASN 50 10.994 -10.970 -2.103 358 HA ASN 50 HA ASN 50 10.457 -8.648 -3.672 359 1HB ASN 50 2HB ASN 50 13.070 -9.641 -3.797 360 2HB ASN 50 1HB ASN 50 12.259 -10.212 -5.260 361 1HD2 ASN 50 1HD2 ASN 50 11.243 -7.299 -3.688 362 2HD2 ASN 50 2HD2 ASN 50 11.848 -6.191 -4.902 363 H GLY 51 H GLY 51 10.089 -9.350 -6.063 364 1HA GLY 51 2HA GLY 51 9.072 -10.692 -7.621 365 2HA GLY 51 1HA GLY 51 9.322 -12.066 -6.548 366 H ASN 52 H ASN 52 7.711 -9.176 -5.522 367 HA ASN 52 HA ASN 52 5.050 -10.118 -5.906 368 1HB ASN 52 2HB ASN 52 4.721 -10.308 -3.328 369 2HB ASN 52 1HB ASN 52 5.400 -11.678 -4.201 370 1HD2 ASN 52 1HD2 ASN 52 6.573 -12.541 -2.561 371 2HD2 ASN 52 2HD2 ASN 52 7.940 -11.755 -1.844 372 H ILE 53 H ILE 53 5.753 -7.812 -6.728 373 HA ILE 53 HA ILE 53 4.995 -5.889 -4.688 374 HB ILE 53 HB ILE 53 7.403 -5.756 -4.724 375 1HG1 ILE 53 2HG1 ILE 53 5.830 -3.640 -4.873 376 2HG1 ILE 53 1HG1 ILE 53 7.578 -3.471 -4.831 377 1HG2 ILE 53 1HG2 ILE 53 7.552 -4.879 -7.539 378 2HG2 ILE 53 2HG2 ILE 53 7.331 -6.594 -7.232 379 3HG2 ILE 53 3HG2 ILE 53 8.732 -5.763 -6.562 380 1HD1 ILE 53 1HD1 ILE 53 5.778 -3.308 -7.234 381 2HD1 ILE 53 2HD1 ILE 53 7.538 -3.332 -7.321 382 3HD1 ILE 53 3HD1 ILE 53 6.714 -2.006 -6.501 383 H ILE 54 H ILE 54 3.622 -4.516 -5.344 384 HA ILE 54 HA ILE 54 2.923 -4.412 -8.211 385 HB ILE 54 HB ILE 54 1.225 -3.494 -5.933 386 1HG1 ILE 54 2HG1 ILE 54 1.748 -5.881 -5.601 387 2HG1 ILE 54 1HG1 ILE 54 0.050 -5.520 -5.873 388 1HG2 ILE 54 1HG2 ILE 54 0.516 -2.640 -8.033 389 2HG2 ILE 54 2HG2 ILE 54 -0.610 -3.918 -7.582 390 3HG2 ILE 54 3HG2 ILE 54 0.642 -4.227 -8.785 391 1HD1 ILE 54 1HD1 ILE 54 0.729 -7.549 -7.043 392 2HD1 ILE 54 2HD1 ILE 54 1.965 -6.638 -7.910 393 3HD1 ILE 54 3HD1 ILE 54 0.258 -6.291 -8.186 394 H ALA 55 H ALA 55 3.393 -2.451 -9.188 395 HA ALA 55 HA ALA 55 3.783 -0.160 -7.485 396 1HB ALA 55 1HB ALA 55 5.048 -0.388 -9.596 397 2HB ALA 55 2HB ALA 55 4.110 1.105 -9.535 398 3HB ALA 55 3HB ALA 55 3.536 -0.259 -10.497 399 H ALA 56 H ALA 56 1.817 0.016 -6.395 400 HA ALA 56 HA ALA 56 -0.731 0.294 -7.277 401 1HB ALA 56 1HB ALA 56 -1.102 1.904 -5.493 402 2HB ALA 56 2HB ALA 56 0.630 2.203 -5.388 403 3HB ALA 56 3HB ALA 56 -0.018 0.621 -4.951 404 H SER 57 H SER 57 -2.069 2.114 -7.900 405 HA SER 57 HA SER 57 -0.591 3.898 -9.707 406 1HB SER 57 2HB SER 57 -2.063 2.007 -10.694 407 2HB SER 57 1HB SER 57 -3.426 2.991 -10.162 408 HG SER 57 HG SER 57 -1.479 3.529 -12.121 409 H PHE 58 H PHE 58 -0.942 5.998 -9.457 410 HA PHE 58 HA PHE 58 -2.568 6.954 -7.388 411 1HB PHE 58 2HB PHE 58 -1.901 9.201 -8.141 412 2HB PHE 58 1HB PHE 58 -0.529 8.125 -7.897 413 HD1 PHE 58 HD1 PHE 58 -2.768 9.507 -10.462 414 HD2 PHE 58 HD2 PHE 58 1.008 7.752 -9.632 415 HE1 PHE 58 HE1 PHE 58 -2.074 9.950 -12.738 416 HE2 PHE 58 HE2 PHE 58 1.732 8.206 -11.945 417 HZ PHE 58 HZ PHE 58 0.183 9.313 -13.515 418 H SER 59 H SER 59 -4.455 8.083 -7.436 419 HA SER 59 HA SER 59 -5.998 7.806 -9.928 420 1HB SER 59 2HB SER 59 -6.877 6.613 -7.908 421 2HB SER 59 1HB SER 59 -7.038 8.170 -7.099 422 HG SER 59 HG SER 59 -8.275 7.573 -9.583 423 H GLY 60 H GLY 60 -5.107 9.987 -7.294 424 1HA GLY 60 2HA GLY 60 -4.547 12.214 -8.580 425 2HA GLY 60 1HA GLY 60 -6.295 12.227 -8.761 426 HA PRO 61 HA PRO 61 -4.888 14.394 -4.737 427 1HB PRO 61 2HB PRO 61 -6.570 16.444 -6.114 428 2HB PRO 61 1HB PRO 61 -5.123 16.661 -5.119 429 1HG PRO 61 2HG PRO 61 -4.931 16.870 -7.744 430 2HG PRO 61 1HG PRO 61 -3.690 15.985 -6.832 431 1HD PRO 61 2HD PRO 61 -5.955 14.910 -8.468 432 2HD PRO 61 1HD PRO 61 -4.274 14.344 -8.359 433 H ILE 62 H ILE 62 -6.171 14.238 -3.022 434 HA ILE 62 HA ILE 62 -8.728 12.955 -3.458 435 HB ILE 62 HB ILE 62 -7.564 13.574 -0.758 436 1HG1 ILE 62 2HG1 ILE 62 -6.767 11.324 -2.613 437 2HG1 ILE 62 1HG1 ILE 62 -5.717 12.584 -1.982 438 1HG2 ILE 62 1HG2 ILE 62 -8.559 11.154 -0.531 439 2HG2 ILE 62 2HG2 ILE 62 -9.536 11.677 -1.905 440 3HG2 ILE 62 3HG2 ILE 62 -9.580 12.584 -0.390 441 1HD1 ILE 62 1HD1 ILE 62 -6.241 11.678 0.312 442 2HD1 ILE 62 2HD1 ILE 62 -5.236 10.683 -0.737 443 3HD1 ILE 62 3HD1 ILE 62 -6.941 10.286 -0.513 444 H SER 63 H SER 63 -10.577 14.057 -3.534 445 HA SER 63 HA SER 63 -10.791 16.790 -2.899 446 1HB SER 63 2HB SER 63 -13.282 16.360 -3.104 447 2HB SER 63 1HB SER 63 -12.316 15.876 -4.499 448 HG SER 63 HG SER 63 -12.599 13.783 -4.008 449 H GLY 64 H GLY 64 -10.886 17.732 -0.986 450 1HA GLY 64 2HA GLY 64 -12.061 17.887 1.173 451 2HA GLY 64 1HA GLY 64 -11.858 16.145 1.313 452 H SER 65 H SER 65 -9.108 16.790 -0.026 453 HA SER 65 HA SER 65 -7.674 18.050 2.159 454 1HB SER 65 2HB SER 65 -7.113 15.180 1.349 455 2HB SER 65 1HB SER 65 -6.182 16.126 2.513 456 HG SER 65 HG SER 65 -8.795 16.170 3.160 457 H ASN 66 H ASN 66 -5.157 17.793 1.533 458 HA ASN 66 HA ASN 66 -4.987 18.289 -1.366 459 1HB ASN 66 2HB ASN 66 -4.428 20.210 0.177 460 2HB ASN 66 1HB ASN 66 -3.051 19.267 0.740 461 1HD2 ASN 66 1HD2 ASN 66 -1.570 20.761 -0.003 462 2HD2 ASN 66 2HD2 ASN 66 -1.229 20.981 -1.687 463 H TYR 67 H TYR 67 -4.903 15.710 -0.036 464 HA TYR 67 HA TYR 67 -2.141 14.919 -0.509 465 1HB TYR 67 2HB TYR 67 -4.322 13.584 1.006 466 2HB TYR 67 1HB TYR 67 -2.788 12.802 0.611 467 HD1 TYR 67 HD1 TYR 67 -4.100 13.665 3.237 468 HD2 TYR 67 HD2 TYR 67 -1.020 15.277 0.893 469 HE1 TYR 67 HE1 TYR 67 -3.142 14.690 5.275 470 HE2 TYR 67 HE2 TYR 67 -0.018 16.330 2.878 471 HH TYR 67 HH TYR 67 -0.634 17.054 5.073 472 H GLU 68 H GLU 68 -2.271 12.362 -1.098 473 HA GLU 68 HA GLU 68 -3.521 12.460 -3.763 474 1HB GLU 68 2HB GLU 68 -1.101 12.668 -3.894 475 2HB GLU 68 1HB GLU 68 -0.889 11.256 -2.876 476 1HG GLU 68 2HG GLU 68 -0.408 10.784 -5.213 477 2HG GLU 68 1HG GLU 68 -1.755 9.825 -4.609 478 H TYR 69 H TYR 69 -4.060 10.354 -4.742 479 HA TYR 69 HA TYR 69 -5.204 8.642 -2.653 480 1HB TYR 69 2HB TYR 69 -6.862 10.378 -3.466 481 2HB TYR 69 1HB TYR 69 -6.735 9.643 -5.062 482 HD1 TYR 69 HD1 TYR 69 -6.757 7.916 -1.811 483 HD2 TYR 69 HD2 TYR 69 -8.922 8.778 -5.359 484 HE1 TYR 69 HE1 TYR 69 -8.475 6.284 -1.142 485 HE2 TYR 69 HE2 TYR 69 -10.645 7.144 -4.718 486 HH TYR 69 HH TYR 69 -10.921 5.887 -1.623 487 H TRP 70 H TRP 70 -4.683 6.656 -3.030 488 HA TRP 70 HA TRP 70 -3.647 6.012 -5.697 489 1HB TRP 70 2HB TRP 70 -2.993 4.705 -3.051 490 2HB TRP 70 1HB TRP 70 -2.096 4.575 -4.566 491 HD1 TRP 70 HD1 TRP 70 -2.945 7.275 -1.935 492 HE1 TRP 70 HE1 TRP 70 -1.019 8.955 -1.945 493 HE3 TRP 70 HE3 TRP 70 -0.273 5.481 -5.648 494 HZ2 TRP 70 HZ2 TRP 70 1.365 9.447 -3.281 495 HZ3 TRP 70 HZ3 TRP 70 1.891 6.476 -6.272 496 HH2 TRP 70 HH2 TRP 70 2.665 8.485 -5.115 497 H THR 71 H THR 71 -4.454 4.269 -6.758 498 HA THR 71 HA THR 71 -6.346 2.533 -5.347 499 HB THR 71 HB THR 71 -7.910 2.734 -7.335 500 HG1 THR 71 HG1 THR 71 -5.958 4.301 -8.218 501 1HG2 THR 71 1HG2 THR 71 -7.493 5.091 -5.503 502 2HG2 THR 71 2HG2 THR 71 -8.603 3.736 -5.288 503 3HG2 THR 71 3HG2 THR 71 -8.896 4.922 -6.562 504 H PHE 72 H PHE 72 -6.489 0.456 -6.232 505 HA PHE 72 HA PHE 72 -5.882 -0.024 -8.906 506 1HB PHE 72 2HB PHE 72 -3.812 -1.185 -8.871 507 2HB PHE 72 1HB PHE 72 -3.543 0.318 -8.001 508 HD1 PHE 72 HD1 PHE 72 -4.073 0.055 -5.360 509 HD2 PHE 72 HD2 PHE 72 -2.865 -3.056 -7.993 510 HE1 PHE 72 HE1 PHE 72 -3.188 -1.224 -3.440 511 HE2 PHE 72 HE2 PHE 72 -1.981 -4.336 -6.090 512 HZ PHE 72 HZ PHE 72 -2.144 -3.420 -3.810 513 H SER 73 H SER 73 -6.353 -2.035 -9.607 514 HA SER 73 HA SER 73 -7.006 -4.056 -7.577 515 1HB SER 73 2HB SER 73 -8.465 -5.095 -9.339 516 2HB SER 73 1HB SER 73 -9.041 -3.532 -8.757 517 HG SER 73 HG SER 73 -7.570 -2.872 -10.746 518 H ALA 74 H ALA 74 -6.117 -6.080 -7.877 519 HA ALA 74 HA ALA 74 -3.952 -6.147 -9.880 520 1HB ALA 74 1HB ALA 74 -3.289 -7.238 -7.222 521 2HB ALA 74 2HB ALA 74 -3.452 -5.491 -7.311 522 3HB ALA 74 3HB ALA 74 -2.295 -6.321 -8.355 523 H SER 75 H SER 75 -4.106 -7.954 -11.070 524 HA SER 75 HA SER 75 -5.431 -10.292 -10.253 525 1HB SER 75 2HB SER 75 -3.420 -10.698 -12.278 526 2HB SER 75 1HB SER 75 -5.171 -10.673 -12.444 527 HG SER 75 HG SER 75 -4.916 -8.860 -13.448 528 H VAL 76 H VAL 76 -4.666 -11.210 -8.413 529 HA VAL 76 HA VAL 76 -1.763 -11.516 -8.110 530 HB VAL 76 HB VAL 76 -2.174 -11.894 -5.731 531 1HG1 VAL 76 1HG1 VAL 76 -3.062 -9.663 -5.125 532 2HG1 VAL 76 2HG1 VAL 76 -3.573 -9.457 -6.798 533 3HG1 VAL 76 3HG1 VAL 76 -1.858 -9.604 -6.418 534 1HG2 VAL 76 1HG2 VAL 76 -4.355 -11.754 -4.741 535 2HG2 VAL 76 2HG2 VAL 76 -4.389 -12.980 -6.006 536 3HG2 VAL 76 3HG2 VAL 76 -5.086 -11.392 -6.302 537 H LYS 77 H LYS 77 -0.869 -13.502 -7.555 538 HA LYS 77 HA LYS 77 -2.573 -15.823 -8.107 539 1HB LYS 77 2HB LYS 77 -0.439 -17.072 -8.450 540 2HB LYS 77 1HB LYS 77 -0.692 -15.768 -9.596 541 1HG LYS 77 2HG LYS 77 1.005 -15.391 -7.151 542 2HG LYS 77 1HG LYS 77 1.655 -16.107 -8.625 543 1HD LYS 77 2HD LYS 77 0.889 -14.068 -9.859 544 2HD LYS 77 1HD LYS 77 0.455 -13.357 -8.304 545 1HE LYS 77 2HE LYS 77 2.634 -12.568 -9.008 546 2HE LYS 77 1HE LYS 77 2.788 -13.577 -7.570 547 1HZ LYS 77 1HZ LYS 77 3.523 -15.400 -8.920 548 2HZ LYS 77 2HZ LYS 77 4.481 -14.050 -9.272 549 3HZ LYS 77 3HZ LYS 77 3.257 -14.523 -10.348 550 H GLY 78 H GLY 78 -2.768 -14.524 -5.673 551 1HA GLY 78 2HA GLY 78 -3.204 -15.761 -3.619 552 2HA GLY 78 1HA GLY 78 -1.651 -16.553 -3.846 553 H ILE 79 H ILE 79 -2.691 -15.009 -1.585 554 HA ILE 79 HA ILE 79 -0.309 -13.445 -1.132 555 HB ILE 79 HB ILE 79 -1.859 -11.802 -2.153 556 1HG1 ILE 79 2HG1 ILE 79 -1.270 -11.333 0.758 557 2HG1 ILE 79 1HG1 ILE 79 -0.185 -11.006 -0.562 558 1HG2 ILE 79 1HG2 ILE 79 -3.815 -11.050 -0.786 559 2HG2 ILE 79 2HG2 ILE 79 -3.612 -12.508 0.182 560 3HG2 ILE 79 3HG2 ILE 79 -3.993 -12.636 -1.535 561 1HD1 ILE 79 1HD1 ILE 79 -2.717 -9.595 0.191 562 2HD1 ILE 79 2HD1 ILE 79 -1.964 -9.389 -1.384 563 3HD1 ILE 79 3HD1 ILE 79 -1.084 -8.939 0.075 564 H LYS 80 H LYS 80 -0.098 -12.900 1.139 565 HA LYS 80 HA LYS 80 -1.842 -14.427 2.930 566 1HB LYS 80 2HB LYS 80 -0.033 -15.952 2.282 567 2HB LYS 80 1HB LYS 80 1.162 -14.768 2.803 568 1HG LYS 80 2HG LYS 80 0.874 -16.522 4.456 569 2HG LYS 80 1HG LYS 80 0.366 -14.958 5.094 570 1HD LYS 80 2HD LYS 80 -1.995 -15.640 4.365 571 2HD LYS 80 1HD LYS 80 -1.339 -17.269 4.207 572 1HE LYS 80 2HE LYS 80 -1.390 -15.577 6.700 573 2HE LYS 80 1HE LYS 80 -2.374 -17.003 6.374 574 1HZ LYS 80 1HZ LYS 80 -0.506 -17.523 7.805 575 2HZ LYS 80 2HZ LYS 80 0.592 -16.964 6.637 576 3HZ LYS 80 3HZ LYS 80 -0.356 -18.340 6.326 577 H GLU 81 H GLU 81 0.961 -12.282 2.681 578 HA GLU 81 HA GLU 81 -0.023 -10.724 4.972 579 1HB GLU 81 2HB GLU 81 2.908 -11.414 4.729 580 2HB GLU 81 1HB GLU 81 2.076 -10.684 6.091 581 1HG GLU 81 2HG GLU 81 0.997 -12.784 6.598 582 2HG GLU 81 1HG GLU 81 1.742 -13.525 5.179 583 H PHE 82 H PHE 82 0.985 -8.478 4.917 584 HA PHE 82 HA PHE 82 3.022 -8.000 3.031 585 1HB PHE 82 2HB PHE 82 1.915 -6.703 1.339 586 2HB PHE 82 1HB PHE 82 1.143 -8.274 1.423 587 HD1 PHE 82 HD1 PHE 82 0.744 -4.704 1.811 588 HD2 PHE 82 HD2 PHE 82 -1.130 -8.484 2.324 589 HE1 PHE 82 HE1 PHE 82 -1.446 -3.594 1.925 590 HE2 PHE 82 HE2 PHE 82 -3.325 -7.382 2.448 591 HZ PHE 82 HZ PHE 82 -3.487 -4.934 2.245 592 H TYR 83 H TYR 83 3.161 -5.614 2.489 593 HA TYR 83 HA TYR 83 1.930 -3.755 4.234 594 1HB TYR 83 2HB TYR 83 4.336 -2.870 4.925 595 2HB TYR 83 1HB TYR 83 3.444 -4.005 5.922 596 HD1 TYR 83 HD1 TYR 83 5.723 -4.304 2.960 597 HD2 TYR 83 HD2 TYR 83 4.789 -5.555 6.912 598 HE1 TYR 83 HE1 TYR 83 7.676 -5.820 2.945 599 HE2 TYR 83 HE2 TYR 83 6.722 -7.071 6.902 600 HH TYR 83 HH TYR 83 8.183 -8.196 5.383 601 H ILE 84 H ILE 84 2.105 -1.667 3.428 602 HA ILE 84 HA ILE 84 3.045 -1.666 0.672 603 HB ILE 84 HB ILE 84 1.638 0.641 1.997 604 1HG1 ILE 84 2HG1 ILE 84 0.207 -1.306 2.358 605 2HG1 ILE 84 1HG1 ILE 84 -0.483 -0.287 1.100 606 1HG2 ILE 84 1HG2 ILE 84 0.879 0.949 -0.397 607 2HG2 ILE 84 2HG2 ILE 84 2.042 -0.318 -0.825 608 3HG2 ILE 84 3HG2 ILE 84 2.601 1.190 -0.092 609 1HD1 ILE 84 1HD1 ILE 84 1.027 -2.848 0.709 610 2HD1 ILE 84 2HD1 ILE 84 0.474 -1.795 -0.593 611 3HD1 ILE 84 3HD1 ILE 84 -0.699 -2.579 0.469 612 H LYS 85 H LYS 85 4.736 -0.559 -0.041 613 HA LYS 85 HA LYS 85 6.433 0.660 1.963 614 1HB LYS 85 2HB LYS 85 6.893 -0.049 -0.932 615 2HB LYS 85 1HB LYS 85 8.093 0.721 0.096 616 1HG LYS 85 2HG LYS 85 7.183 -1.541 1.488 617 2HG LYS 85 1HG LYS 85 7.466 -2.045 -0.181 618 1HD LYS 85 2HD LYS 85 9.460 -0.337 1.207 619 2HD LYS 85 1HD LYS 85 9.419 -2.065 1.561 620 1HE LYS 85 2HE LYS 85 11.038 -1.650 -0.177 621 2HE LYS 85 1HE LYS 85 9.672 -2.528 -0.854 622 1HZ LYS 85 1HZ LYS 85 10.190 0.396 -1.126 623 2HZ LYS 85 2HZ LYS 85 8.829 -0.416 -1.733 624 3HZ LYS 85 3HZ LYS 85 10.371 -0.779 -2.336 625 H TYR 86 H TYR 86 5.897 2.689 2.383 626 HA TYR 86 HA TYR 86 5.124 4.450 0.209 627 1HB TYR 86 2HB TYR 86 4.001 4.763 2.369 628 2HB TYR 86 1HB TYR 86 5.557 5.031 3.153 629 HD1 TYR 86 HD1 TYR 86 4.187 6.331 -0.043 630 HD2 TYR 86 HD2 TYR 86 5.598 7.257 3.846 631 HE1 TYR 86 HE1 TYR 86 4.031 8.699 -0.572 632 HE2 TYR 86 HE2 TYR 86 5.446 9.660 3.328 633 HH TYR 86 HH TYR 86 3.717 10.914 0.920 634 H GLU 87 H GLU 87 6.794 4.816 -1.082 635 HA GLU 87 HA GLU 87 9.325 5.546 0.197 636 1HB GLU 87 2HB GLU 87 8.973 3.367 -1.289 637 2HB GLU 87 1HB GLU 87 9.271 4.509 -2.587 638 1HG GLU 87 2HG GLU 87 11.413 5.015 -1.773 639 2HG GLU 87 1HG GLU 87 11.106 4.208 -0.239 640 H VAL 88 H VAL 88 9.973 7.494 -0.116 641 HA VAL 88 HA VAL 88 8.836 9.083 -2.312 642 HB VAL 88 HB VAL 88 10.299 10.076 0.154 643 1HG1 VAL 88 1HG1 VAL 88 9.273 12.233 -0.404 644 2HG1 VAL 88 2HG1 VAL 88 8.569 11.515 -1.854 645 3HG1 VAL 88 3HG1 VAL 88 10.322 11.646 -1.696 646 1HG2 VAL 88 1HG2 VAL 88 8.216 8.894 0.778 647 2HG2 VAL 88 2HG2 VAL 88 7.321 9.963 -0.296 648 3HG2 VAL 88 3HG2 VAL 88 8.141 10.623 1.114 649 H SER 89 H SER 89 10.438 10.619 -3.321 650 HA SER 89 HA SER 89 12.587 9.212 -4.387 651 1HB SER 89 2HB SER 89 11.441 11.104 -5.459 652 2HB SER 89 1HB SER 89 12.231 12.204 -4.334 653 HG SER 89 HG SER 89 13.912 10.472 -5.708 654 H GLY 90 H GLY 90 12.409 10.722 -1.344 655 1HA GLY 90 2HA GLY 90 15.286 10.309 -1.021 656 2HA GLY 90 1HA GLY 90 14.613 11.861 -0.574 657 H LYS 91 H LYS 91 12.300 9.540 0.147 658 HA LYS 91 HA LYS 91 13.349 9.047 2.821 659 1HB LYS 91 2HB LYS 91 11.889 11.184 2.533 660 2HB LYS 91 1HB LYS 91 10.555 10.046 2.400 661 1HG LYS 91 2HG LYS 91 10.549 10.582 4.617 662 2HG LYS 91 1HG LYS 91 11.465 9.078 4.577 663 1HD LYS 91 2HD LYS 91 13.550 10.296 4.686 664 2HD LYS 91 1HD LYS 91 12.688 11.833 4.603 665 1HE LYS 91 2HE LYS 91 11.537 11.203 6.731 666 2HE LYS 91 1HE LYS 91 12.614 9.809 6.830 667 1HZ LYS 91 1HZ LYS 91 14.502 11.294 6.902 668 2HZ LYS 91 2HZ LYS 91 13.412 11.698 8.137 669 3HZ LYS 91 3HZ LYS 91 13.493 12.645 6.732 670 H THR 92 H THR 92 12.004 7.382 3.987 671 HA THR 92 HA THR 92 10.096 5.926 2.330 672 HB THR 92 HB THR 92 12.208 4.381 3.812 673 HG1 THR 92 HG1 THR 92 13.154 5.635 2.060 674 1HG2 THR 92 1HG2 THR 92 10.152 3.157 3.338 675 2HG2 THR 92 2HG2 THR 92 11.467 2.547 2.328 676 3HG2 THR 92 3HG2 THR 92 10.254 3.624 1.636 677 H TYR 93 H TYR 93 8.494 4.986 3.448 678 HA TYR 93 HA TYR 93 8.739 4.563 6.329 679 1HB TYR 93 2HB TYR 93 6.273 5.862 5.138 680 2HB TYR 93 1HB TYR 93 6.576 5.527 6.834 681 HD1 TYR 93 HD1 TYR 93 7.139 7.745 4.095 682 HD2 TYR 93 HD2 TYR 93 8.158 6.927 8.120 683 HE1 TYR 93 HE1 TYR 93 8.003 10.046 4.324 684 HE2 TYR 93 HE2 TYR 93 9.029 9.215 8.384 685 HH TYR 93 HH TYR 93 8.424 11.670 6.095 686 H TYR 94 H TYR 94 6.124 3.659 6.705 687 HA TYR 94 HA TYR 94 5.785 1.491 4.791 688 1HB TYR 94 2HB TYR 94 6.482 1.063 7.696 689 2HB TYR 94 1HB TYR 94 5.756 -0.180 6.692 690 HD1 TYR 94 HD1 TYR 94 7.118 -0.520 4.363 691 HD2 TYR 94 HD2 TYR 94 8.741 0.943 8.010 692 HE1 TYR 94 HE1 TYR 94 9.336 -1.320 3.680 693 HE2 TYR 94 HE2 TYR 94 10.974 0.181 7.326 694 HH TYR 94 HH TYR 94 11.945 -1.508 5.839 695 H ASP 95 H ASP 95 3.730 0.742 4.680 696 HA ASP 95 HA ASP 95 1.895 1.413 6.892 697 1HB ASP 95 2HB ASP 95 1.276 2.630 4.834 698 2HB ASP 95 1HB ASP 95 1.214 1.108 3.952 699 H ASN 96 H ASN 96 1.925 -0.435 8.034 700 HA ASN 96 HA ASN 96 1.588 -2.968 6.566 701 1HB ASN 96 2HB ASN 96 2.980 -4.026 8.392 702 2HB ASN 96 1HB ASN 96 3.850 -2.951 7.301 703 1HD2 ASN 96 1HD2 ASN 96 4.649 -1.011 8.073 704 2HD2 ASN 96 2HD2 ASN 96 4.731 -0.639 9.768 705 H ASN 97 H ASN 97 1.168 -1.391 9.707 706 HA ASN 97 HA ASN 97 -1.482 -1.766 10.067 707 1HB ASN 97 2HB ASN 97 -1.838 -3.717 11.440 708 2HB ASN 97 1HB ASN 97 -1.058 -4.249 9.965 709 1HD2 ASN 97 1HD2 ASN 97 -1.257 -5.396 12.675 710 2HD2 ASN 97 2HD2 ASN 97 0.392 -5.726 13.127 711 H ASN 98 H ASN 98 1.643 -2.044 11.584 712 HA ASN 98 HA ASN 98 1.456 0.273 13.108 713 1HB ASN 98 2HB ASN 98 -0.194 -1.331 14.371 714 2HB ASN 98 1HB ASN 98 1.275 -2.117 14.934 715 1HD2 ASN 98 1HD2 ASN 98 2.755 0.457 14.974 716 2HD2 ASN 98 2HD2 ASN 98 2.176 1.290 16.374 717 H SER 99 H SER 99 2.637 -3.059 13.101 718 HA SER 99 HA SER 99 5.258 -2.327 12.409 719 1HB SER 99 2HB SER 99 5.251 -1.599 14.829 720 2HB SER 99 1HB SER 99 5.002 -3.286 15.272 721 HG SER 99 HG SER 99 7.019 -3.761 14.713 722 H ALA 100 H ALA 100 3.322 -4.157 11.470 723 HA ALA 100 HA ALA 100 4.832 -6.635 11.749 724 1HB ALA 100 1HB ALA 100 2.767 -7.960 12.071 725 2HB ALA 100 2HB ALA 100 1.876 -6.451 12.272 726 3HB ALA 100 3HB ALA 100 3.135 -6.890 13.424 727 H ASN 101 H ASN 101 1.587 -6.303 10.372 728 HA ASN 101 HA ASN 101 2.211 -6.110 7.657 729 1HB ASN 101 2HB ASN 101 2.219 -8.402 6.888 730 2HB ASN 101 1HB ASN 101 3.530 -8.179 8.039 731 1HD2 ASN 101 1HD2 ASN 101 3.436 -9.209 10.028 732 2HD2 ASN 101 2HD2 ASN 101 2.298 -10.470 10.369 733 H TYR 102 H TYR 102 0.439 -6.533 6.295 734 HA TYR 102 HA TYR 102 -2.114 -6.850 7.658 735 1HB TYR 102 2HB TYR 102 -1.435 -6.309 4.759 736 2HB TYR 102 1HB TYR 102 -3.074 -6.504 5.364 737 HD1 TYR 102 HD1 TYR 102 -0.514 -4.203 4.644 738 HD2 TYR 102 HD2 TYR 102 -3.761 -4.892 7.299 739 HE1 TYR 102 HE1 TYR 102 -0.602 -1.801 5.149 740 HE2 TYR 102 HE2 TYR 102 -3.856 -2.491 7.819 741 HH TYR 102 HH TYR 102 -1.965 -0.151 6.035 742 H GLN 103 H GLN 103 -2.370 -8.913 8.229 743 HA GLN 103 HA GLN 103 -1.604 -11.056 6.481 744 1HB GLN 103 2HB GLN 103 -2.636 -12.517 8.246 745 2HB GLN 103 1HB GLN 103 -1.270 -11.565 8.750 746 1HG GLN 103 2HG GLN 103 -4.124 -10.791 9.246 747 2HG GLN 103 1HG GLN 103 -3.151 -11.731 10.369 748 1HE2 GLN 103 1HE2 GLN 103 -0.724 -10.194 9.618 749 2HE2 GLN 103 2HE2 GLN 103 -0.882 -8.671 10.400 750 H VAL 104 H VAL 104 -2.743 -11.432 4.781 751 HA VAL 104 HA VAL 104 -5.612 -10.924 4.725 752 HB VAL 104 HB VAL 104 -3.850 -11.893 2.469 753 1HG1 VAL 104 1HG1 VAL 104 -5.613 -10.958 1.038 754 2HG1 VAL 104 2HG1 VAL 104 -6.542 -10.533 2.476 755 3HG1 VAL 104 3HG1 VAL 104 -6.227 -12.227 2.098 756 1HG2 VAL 104 1HG2 VAL 104 -4.619 -9.039 3.044 757 2HG2 VAL 104 2HG2 VAL 104 -3.561 -9.631 1.760 758 3HG2 VAL 104 3HG2 VAL 104 -3.053 -9.743 3.445 759 H SER 105 H SER 105 -6.885 -12.536 5.392 760 HA SER 105 HA SER 105 -6.122 -15.271 5.342 761 1HB SER 105 2HB SER 105 -8.897 -14.073 5.556 762 2HB SER 105 1HB SER 105 -8.428 -15.711 6.013 763 HG SER 105 HG SER 105 -6.789 -14.335 7.367 764 H THR 106 H THR 106 -5.655 -16.123 3.416 765 HA THR 106 HA THR 106 -6.656 -15.357 0.942 766 HB THR 106 HB THR 106 -5.759 -18.175 1.456 767 HG1 THR 106 HG1 THR 106 -3.959 -15.969 1.250 768 1HG2 THR 106 1HG2 THR 106 -5.152 -16.177 -0.728 769 2HG2 THR 106 2HG2 THR 106 -6.331 -17.486 -0.832 770 3HG2 THR 106 3HG2 THR 106 -4.613 -17.854 -0.679 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -11.648 16.825 11.010 2 2H ALA 1 2H ALA 1 -12.126 16.078 12.456 3 3H ALA 1 3H ALA 1 -11.391 15.167 11.232 4 HA ALA 1 HA ALA 1 -10.087 17.383 12.690 5 1HB ALA 1 1HB ALA 1 -10.513 15.513 14.196 6 2HB ALA 1 2HB ALA 1 -8.791 15.648 13.837 7 3HB ALA 1 3HB ALA 1 -9.761 14.403 13.050 8 H SER 2 H SER 2 -7.545 16.558 12.548 9 HA SER 2 HA SER 2 -6.749 16.990 9.899 10 1HB SER 2 2HB SER 2 -5.167 15.618 12.088 11 2HB SER 2 1HB SER 2 -4.507 16.391 10.644 12 HG SER 2 HG SER 2 -5.064 17.498 12.992 13 H ILE 3 H ILE 3 -5.870 15.617 8.340 14 HA ILE 3 HA ILE 3 -7.230 13.126 8.101 15 HB ILE 3 HB ILE 3 -5.013 14.214 6.362 16 1HG1 ILE 3 2HG1 ILE 3 -6.885 15.792 6.493 17 2HG1 ILE 3 1HG1 ILE 3 -6.832 15.032 4.906 18 1HG2 ILE 3 1HG2 ILE 3 -5.955 12.738 4.650 19 2HG2 ILE 3 2HG2 ILE 3 -7.109 12.114 5.829 20 3HG2 ILE 3 3HG2 ILE 3 -5.381 11.834 6.052 21 1HD1 ILE 3 1HD1 ILE 3 -9.111 15.229 5.733 22 2HD1 ILE 3 2HD1 ILE 3 -8.684 14.277 7.156 23 3HD1 ILE 3 3HD1 ILE 3 -8.642 13.537 5.553 24 HA PRO 4 HA PRO 4 -2.692 11.267 8.636 25 1HB PRO 4 2HB PRO 4 -1.602 13.359 10.434 26 2HB PRO 4 1HB PRO 4 -0.793 12.421 9.175 27 1HG PRO 4 2HG PRO 4 -1.407 14.990 8.799 28 2HG PRO 4 1HG PRO 4 -1.528 13.807 7.483 29 1HD PRO 4 2HD PRO 4 -3.691 15.037 9.135 30 2HD PRO 4 1HD PRO 4 -3.690 14.615 7.411 31 H SER 5 H SER 5 -2.469 9.800 10.238 32 HA SER 5 HA SER 5 -3.129 10.382 12.973 33 1HB SER 5 2HB SER 5 -5.377 10.025 12.021 34 2HB SER 5 1HB SER 5 -4.869 8.457 11.401 35 HG SER 5 HG SER 5 -5.948 8.901 13.701 36 H SER 6 H SER 6 -2.978 7.599 10.752 37 HA SER 6 HA SER 6 -1.462 6.052 12.628 38 1HB SER 6 2HB SER 6 -3.045 4.927 11.169 39 2HB SER 6 1HB SER 6 -2.214 5.534 9.740 40 HG SER 6 HG SER 6 -1.432 3.524 9.983 41 H ALA 7 H ALA 7 -0.639 6.730 9.220 42 HA ALA 7 HA ALA 7 2.023 7.568 10.059 43 1HB ALA 7 1HB ALA 7 2.998 6.084 8.334 44 2HB ALA 7 2HB ALA 7 1.421 5.345 8.112 45 3HB ALA 7 3HB ALA 7 2.252 5.207 9.662 46 H SER 8 H SER 8 3.095 7.643 7.442 47 HA SER 8 HA SER 8 1.955 10.023 6.403 48 1HB SER 8 2HB SER 8 3.805 8.150 4.916 49 2HB SER 8 1HB SER 8 3.662 9.897 4.741 50 HG SER 8 HG SER 8 4.366 9.942 7.045 51 H VAL 9 H VAL 9 1.583 6.625 5.773 52 HA VAL 9 HA VAL 9 -0.429 7.231 3.758 53 HB VAL 9 HB VAL 9 1.389 6.389 2.517 54 1HG1 VAL 9 1HG1 VAL 9 2.432 4.196 3.150 55 2HG1 VAL 9 2HG1 VAL 9 1.685 4.392 4.732 56 3HG1 VAL 9 3HG1 VAL 9 2.856 5.579 4.150 57 1HG2 VAL 9 1HG2 VAL 9 0.600 4.342 1.612 58 2HG2 VAL 9 2HG2 VAL 9 -0.794 5.313 2.079 59 3HG2 VAL 9 3HG2 VAL 9 -0.289 3.964 3.087 60 H GLN 10 H GLN 10 -2.176 5.832 3.655 61 HA GLN 10 HA GLN 10 -2.467 3.784 5.723 62 1HB GLN 10 2HB GLN 10 -3.394 5.790 6.736 63 2HB GLN 10 1HB GLN 10 -4.337 6.125 5.294 64 1HG GLN 10 2HG GLN 10 -5.587 4.010 5.707 65 2HG GLN 10 1HG GLN 10 -4.720 3.866 7.239 66 1HE2 GLN 10 1HE2 GLN 10 -7.123 5.620 5.456 67 2HE2 GLN 10 2HE2 GLN 10 -7.775 6.501 6.797 68 H LEU 11 H LEU 11 -3.347 1.988 4.803 69 HA LEU 11 HA LEU 11 -4.315 1.995 2.133 70 1HB LEU 11 2HB LEU 11 -3.373 -0.014 3.075 71 2HB LEU 11 1HB LEU 11 -4.584 -0.037 4.344 72 HG LEU 11 HG LEU 11 -6.301 -0.236 2.403 73 1HD1 LEU 11 1HD1 LEU 11 -3.765 -1.090 1.008 74 2HD1 LEU 11 2HD1 LEU 11 -4.828 0.243 0.565 75 3HD1 LEU 11 3HD1 LEU 11 -5.401 -1.420 0.439 76 1HD2 LEU 11 1HD2 LEU 11 -6.163 -2.623 2.531 77 2HD2 LEU 11 2HD2 LEU 11 -5.701 -1.959 4.097 78 3HD2 LEU 11 3HD2 LEU 11 -4.463 -2.553 2.992 79 H ASP 12 H ASP 12 -6.355 2.047 1.338 80 HA ASP 12 HA ASP 12 -8.448 2.978 3.125 81 1HB ASP 12 2HB ASP 12 -8.100 4.093 0.953 82 2HB ASP 12 1HB ASP 12 -8.470 2.605 0.116 83 H SER 13 H SER 13 -8.231 0.573 0.551 84 HA SER 13 HA SER 13 -9.445 -1.545 2.012 85 1HB SER 13 2HB SER 13 -11.241 -0.014 0.113 86 2HB SER 13 1HB SER 13 -11.576 -1.655 0.659 87 HG SER 13 HG SER 13 -11.035 0.139 2.685 88 H TYR 14 H TYR 14 -9.808 -3.439 0.753 89 HA TYR 14 HA TYR 14 -9.252 -3.427 -2.059 90 1HB TYR 14 2HB TYR 14 -7.312 -4.914 -1.979 91 2HB TYR 14 1HB TYR 14 -6.965 -3.424 -1.118 92 HD1 TYR 14 HD1 TYR 14 -8.100 -6.912 -0.505 93 HD2 TYR 14 HD2 TYR 14 -6.068 -3.522 1.011 94 HE1 TYR 14 HE1 TYR 14 -7.403 -8.225 1.446 95 HE2 TYR 14 HE2 TYR 14 -5.377 -4.812 2.991 96 HH TYR 14 HH TYR 14 -6.181 -6.841 4.241 97 H ASN 15 H ASN 15 -9.780 -5.495 -3.034 98 HA ASN 15 HA ASN 15 -11.288 -7.259 -1.221 99 1HB ASN 15 2HB ASN 15 -11.736 -6.599 -4.121 100 2HB ASN 15 1HB ASN 15 -12.443 -8.021 -3.375 101 1HD2 ASN 15 1HD2 ASN 15 -13.705 -5.663 -4.542 102 2HD2 ASN 15 2HD2 ASN 15 -14.717 -5.008 -3.302 103 H TYR 16 H TYR 16 -11.311 -9.477 -1.690 104 HA TYR 16 HA TYR 16 -9.252 -10.712 -3.285 105 1HB TYR 16 2HB TYR 16 -8.892 -10.173 -0.407 106 2HB TYR 16 1HB TYR 16 -8.605 -11.841 -0.885 107 HD1 TYR 16 HD1 TYR 16 -7.304 -11.685 -3.413 108 HD2 TYR 16 HD2 TYR 16 -6.904 -9.133 -0.043 109 HE1 TYR 16 HE1 TYR 16 -5.028 -11.116 -4.119 110 HE2 TYR 16 HE2 TYR 16 -4.629 -8.545 -0.746 111 HH TYR 16 HH TYR 16 -3.424 -9.239 -3.810 112 H ASP 17 H ASP 17 -9.946 -12.805 -3.806 113 HA ASP 17 HA ASP 17 -10.817 -14.519 -1.744 114 1HB ASP 17 2HB ASP 17 -12.936 -13.188 -2.109 115 2HB ASP 17 1HB ASP 17 -13.001 -13.884 -3.725 116 H GLY 18 H GLY 18 -8.945 -15.502 -2.868 117 1HA GLY 18 2HA GLY 18 -7.936 -16.786 -4.524 118 2HA GLY 18 1HA GLY 18 -9.515 -17.564 -4.658 119 H SER 19 H SER 19 -8.486 -14.278 -5.280 120 HA SER 19 HA SER 19 -9.418 -14.204 -7.917 121 1HB SER 19 2HB SER 19 -10.954 -13.022 -5.596 122 2HB SER 19 1HB SER 19 -11.194 -12.518 -7.272 123 HG SER 19 HG SER 19 -11.673 -15.066 -6.108 124 H THR 20 H THR 20 -9.235 -12.091 -8.550 125 HA THR 20 HA THR 20 -6.657 -11.131 -8.173 126 HB THR 20 HB THR 20 -9.069 -9.984 -9.556 127 HG1 THR 20 HG1 THR 20 -7.143 -11.852 -10.189 128 1HG2 THR 20 1HG2 THR 20 -7.425 -8.200 -9.049 129 2HG2 THR 20 2HG2 THR 20 -7.607 -8.497 -10.778 130 3HG2 THR 20 3HG2 THR 20 -6.199 -9.124 -9.921 131 H PHE 21 H PHE 21 -5.869 -9.286 -7.225 132 HA PHE 21 HA PHE 21 -7.311 -8.293 -4.932 133 1HB PHE 21 2HB PHE 21 -4.921 -8.667 -4.695 134 2HB PHE 21 1HB PHE 21 -4.575 -7.719 -6.130 135 HD1 PHE 21 HD1 PHE 21 -4.589 -7.731 -2.651 136 HD2 PHE 21 HD2 PHE 21 -5.304 -5.154 -5.947 137 HE1 PHE 21 HE1 PHE 21 -4.169 -5.786 -1.207 138 HE2 PHE 21 HE2 PHE 21 -4.889 -3.200 -4.515 139 HZ PHE 21 HZ PHE 21 -4.319 -3.511 -2.141 140 H SER 22 H SER 22 -8.135 -6.277 -4.757 141 HA SER 22 HA SER 22 -7.627 -4.266 -6.744 142 1HB SER 22 2HB SER 22 -10.198 -5.785 -6.759 143 2HB SER 22 1HB SER 22 -10.150 -4.108 -7.318 144 HG SER 22 HG SER 22 -8.296 -5.978 -8.299 145 H GLY 23 H GLY 23 -7.728 -2.375 -5.815 146 1HA GLY 23 2HA GLY 23 -9.686 -1.559 -3.961 147 2HA GLY 23 1HA GLY 23 -8.249 -2.090 -3.094 148 H LYS 24 H LYS 24 -7.856 0.012 -2.331 149 HA LYS 24 HA LYS 24 -6.328 1.601 -4.146 150 1HB LYS 24 2HB LYS 24 -7.642 3.639 -4.008 151 2HB LYS 24 1HB LYS 24 -8.544 2.345 -4.784 152 1HG LYS 24 2HG LYS 24 -8.898 2.967 -1.865 153 2HG LYS 24 1HG LYS 24 -9.749 3.884 -3.108 154 1HD LYS 24 2HD LYS 24 -10.145 1.211 -3.793 155 2HD LYS 24 1HD LYS 24 -10.307 1.254 -2.036 156 1HE LYS 24 2HE LYS 24 -11.839 2.849 -4.075 157 2HE LYS 24 1HE LYS 24 -12.467 1.650 -2.946 158 1HZ LYS 24 1HZ LYS 24 -12.991 3.792 -2.099 159 2HZ LYS 24 2HZ LYS 24 -11.407 4.346 -2.305 160 3HZ LYS 24 3HZ LYS 24 -11.745 3.176 -1.124 161 H ILE 25 H ILE 25 -5.537 3.646 -3.053 162 HA ILE 25 HA ILE 25 -4.942 2.998 -0.241 163 HB ILE 25 HB ILE 25 -2.867 3.893 -2.247 164 1HG1 ILE 25 2HG1 ILE 25 -3.378 1.099 -1.201 165 2HG1 ILE 25 1HG1 ILE 25 -3.755 1.652 -2.830 166 1HG2 ILE 25 1HG2 ILE 25 -2.328 4.435 0.062 167 2HG2 ILE 25 2HG2 ILE 25 -1.275 3.147 -0.523 168 3HG2 ILE 25 3HG2 ILE 25 -2.628 2.765 0.541 169 1HD1 ILE 25 1HD1 ILE 25 -1.008 1.486 -1.612 170 2HD1 ILE 25 2HD1 ILE 25 -1.381 2.044 -3.243 171 3HD1 ILE 25 3HD1 ILE 25 -1.698 0.369 -2.787 172 H TYR 26 H TYR 26 -4.035 4.810 0.970 173 HA TYR 26 HA TYR 26 -4.971 7.440 0.019 174 1HB TYR 26 2HB TYR 26 -6.580 6.058 1.486 175 2HB TYR 26 1HB TYR 26 -5.425 6.311 2.785 176 HD1 TYR 26 HD1 TYR 26 -4.853 8.786 3.311 177 HD2 TYR 26 HD2 TYR 26 -8.311 7.541 1.182 178 HE1 TYR 26 HE1 TYR 26 -5.993 10.880 3.935 179 HE2 TYR 26 HE2 TYR 26 -9.454 9.634 1.782 180 HH TYR 26 HH TYR 26 -9.302 11.357 3.590 181 H VAL 27 H VAL 27 -3.055 8.715 0.061 182 HA VAL 27 HA VAL 27 -1.293 8.321 2.383 183 HB VAL 27 HB VAL 27 0.589 7.794 1.258 184 1HG1 VAL 27 1HG1 VAL 27 0.207 6.382 -0.722 185 2HG1 VAL 27 2HG1 VAL 27 -1.454 6.966 -0.790 186 3HG1 VAL 27 3HG1 VAL 27 -0.903 6.034 0.602 187 1HG2 VAL 27 1HG2 VAL 27 1.142 9.648 0.042 188 2HG2 VAL 27 2HG2 VAL 27 -0.385 9.671 -0.830 189 3HG2 VAL 27 3HG2 VAL 27 0.856 8.494 -1.263 190 H LYS 28 H LYS 28 0.008 10.061 2.983 191 HA LYS 28 HA LYS 28 -0.860 12.680 2.192 192 1HB LYS 28 2HB LYS 28 -0.130 12.252 4.492 193 2HB LYS 28 1HB LYS 28 1.456 11.760 3.920 194 1HG LYS 28 2HG LYS 28 1.588 13.977 4.824 195 2HG LYS 28 1HG LYS 28 1.823 14.055 3.075 196 1HD LYS 28 2HD LYS 28 -0.570 14.659 2.837 197 2HD LYS 28 1HD LYS 28 -0.702 14.695 4.595 198 1HE LYS 28 2HE LYS 28 1.150 16.414 2.952 199 2HE LYS 28 1HE LYS 28 -0.404 16.932 3.600 200 1HZ LYS 28 1HZ LYS 28 1.988 16.118 5.158 201 2HZ LYS 28 2HZ LYS 28 0.479 16.468 5.846 202 3HZ LYS 28 3HZ LYS 28 1.338 17.680 5.029 203 H ASN 29 H ASN 29 -0.011 13.917 0.601 204 HA ASN 29 HA ASN 29 2.216 12.826 -0.896 205 1HB ASN 29 2HB ASN 29 1.751 14.605 -2.537 206 2HB ASN 29 1HB ASN 29 0.328 13.629 -2.189 207 1HD2 ASN 29 1HD2 ASN 29 0.553 16.288 -3.309 208 2HD2 ASN 29 2HD2 ASN 29 -0.368 17.329 -2.285 209 H ILE 30 H ILE 30 4.140 13.166 -0.069 210 HA ILE 30 HA ILE 30 4.763 15.391 1.620 211 HB ILE 30 HB ILE 30 6.798 13.570 0.334 212 1HG1 ILE 30 2HG1 ILE 30 5.131 12.090 1.283 213 2HG1 ILE 30 1HG1 ILE 30 6.561 12.078 2.306 214 1HG2 ILE 30 1HG2 ILE 30 8.021 13.988 2.450 215 2HG2 ILE 30 2HG2 ILE 30 6.743 15.108 2.918 216 3HG2 ILE 30 3HG2 ILE 30 7.731 15.443 1.499 217 1HD1 ILE 30 1HD1 ILE 30 4.509 12.085 3.603 218 2HD1 ILE 30 2HD1 ILE 30 4.028 13.603 2.848 219 3HD1 ILE 30 3HD1 ILE 30 5.452 13.548 3.887 220 H ALA 31 H ALA 31 6.172 14.263 -1.409 221 HA ALA 31 HA ALA 31 6.527 17.030 -2.271 222 1HB ALA 31 1HB ALA 31 8.611 15.753 -2.178 223 2HB ALA 31 2HB ALA 31 8.193 16.126 -3.851 224 3HB ALA 31 3HB ALA 31 7.906 14.508 -3.209 225 H TYR 32 H TYR 32 6.897 15.466 -5.012 226 HA TYR 32 HA TYR 32 4.002 15.360 -5.537 227 1HB TYR 32 2HB TYR 32 5.218 17.348 -6.402 228 2HB TYR 32 1HB TYR 32 6.124 16.276 -7.468 229 HD1 TYR 32 HD1 TYR 32 2.527 16.737 -6.542 230 HD2 TYR 32 HD2 TYR 32 5.394 16.318 -9.652 231 HE1 TYR 32 HE1 TYR 32 0.733 16.933 -8.210 232 HE2 TYR 32 HE2 TYR 32 3.610 16.506 -11.332 233 HH TYR 32 HH TYR 32 1.211 16.208 -11.526 234 H SER 33 H SER 33 7.151 14.261 -6.824 235 HA SER 33 HA SER 33 5.908 12.052 -8.191 236 1HB SER 33 2HB SER 33 8.006 13.205 -8.982 237 2HB SER 33 1HB SER 33 8.855 12.473 -7.610 238 HG SER 33 HG SER 33 7.393 10.941 -9.503 239 H LYS 34 H LYS 34 5.204 10.286 -7.158 240 HA LYS 34 HA LYS 34 6.596 9.447 -4.707 241 1HB LYS 34 2HB LYS 34 3.792 8.701 -5.467 242 2HB LYS 34 1HB LYS 34 4.556 8.597 -3.897 243 1HG LYS 34 2HG LYS 34 3.825 11.121 -5.318 244 2HG LYS 34 1HG LYS 34 2.898 10.368 -4.025 245 1HD LYS 34 2HD LYS 34 4.918 10.634 -2.565 246 2HD LYS 34 1HD LYS 34 5.643 11.589 -3.863 247 1HE LYS 34 2HE LYS 34 3.257 12.203 -2.167 248 2HE LYS 34 1HE LYS 34 4.675 13.199 -2.492 249 1HZ LYS 34 1HZ LYS 34 2.274 12.771 -4.138 250 2HZ LYS 34 2HZ LYS 34 3.746 13.075 -4.924 251 3HZ LYS 34 3HZ LYS 34 3.134 14.203 -3.820 252 H LYS 35 H LYS 35 6.445 7.118 -4.284 253 HA LYS 35 HA LYS 35 6.003 5.447 -6.644 254 1HB LYS 35 2HB LYS 35 8.438 5.295 -4.857 255 2HB LYS 35 1HB LYS 35 8.003 4.092 -6.068 256 1HG LYS 35 2HG LYS 35 8.126 5.840 -7.793 257 2HG LYS 35 1HG LYS 35 8.679 6.973 -6.557 258 1HD LYS 35 2HD LYS 35 10.638 6.219 -7.628 259 2HD LYS 35 1HD LYS 35 10.567 5.331 -6.108 260 1HE LYS 35 2HE LYS 35 9.616 4.245 -8.756 261 2HE LYS 35 1HE LYS 35 11.219 3.959 -8.088 262 1HZ LYS 35 1HZ LYS 35 10.044 3.005 -6.099 263 2HZ LYS 35 2HZ LYS 35 9.925 2.099 -7.527 264 3HZ LYS 35 3HZ LYS 35 8.614 3.038 -7.017 265 H VAL 36 H VAL 36 4.187 4.508 -5.907 266 HA VAL 36 HA VAL 36 4.271 3.475 -3.167 267 HB VAL 36 HB VAL 36 1.906 4.040 -4.942 268 1HG1 VAL 36 1HG1 VAL 36 0.601 3.160 -2.936 269 2HG1 VAL 36 2HG1 VAL 36 2.106 2.418 -2.447 270 3HG1 VAL 36 3HG1 VAL 36 1.363 1.953 -3.966 271 1HG2 VAL 36 1HG2 VAL 36 2.789 5.902 -3.671 272 2HG2 VAL 36 2HG2 VAL 36 2.751 4.945 -2.193 273 3HG2 VAL 36 3HG2 VAL 36 1.245 5.398 -2.993 274 H THR 37 H THR 37 4.396 1.464 -2.710 275 HA THR 37 HA THR 37 4.268 -0.478 -4.896 276 HB THR 37 HB THR 37 6.413 -1.425 -4.043 277 HG1 THR 37 HG1 THR 37 6.292 0.914 -2.436 278 1HG2 THR 37 1HG2 THR 37 6.130 0.390 -5.906 279 2HG2 THR 37 2HG2 THR 37 7.740 -0.043 -5.331 280 3HG2 THR 37 3HG2 THR 37 6.957 1.424 -4.741 281 H VAL 38 H VAL 38 2.835 -1.968 -4.280 282 HA VAL 38 HA VAL 38 2.531 -2.623 -1.472 283 HB VAL 38 HB VAL 38 1.186 -3.714 -3.940 284 1HG1 VAL 38 1HG1 VAL 38 -0.102 -5.194 -2.586 285 2HG1 VAL 38 2HG1 VAL 38 0.567 -4.532 -1.103 286 3HG1 VAL 38 3HG1 VAL 38 1.586 -5.490 -2.177 287 1HG2 VAL 38 1HG2 VAL 38 -0.799 -2.869 -2.670 288 2HG2 VAL 38 2HG2 VAL 38 0.264 -1.645 -3.350 289 3HG2 VAL 38 3HG2 VAL 38 0.328 -2.019 -1.627 290 H VAL 39 H VAL 39 3.409 -4.225 -0.492 291 HA VAL 39 HA VAL 39 4.816 -6.261 -2.102 292 HB VAL 39 HB VAL 39 6.047 -6.526 0.306 293 1HG1 VAL 39 1HG1 VAL 39 7.114 -6.396 -1.913 294 2HG1 VAL 39 2HG1 VAL 39 7.962 -5.418 -0.718 295 3HG1 VAL 39 3HG1 VAL 39 6.909 -4.645 -1.901 296 1HG2 VAL 39 1HG2 VAL 39 6.704 -4.277 1.069 297 2HG2 VAL 39 2HG2 VAL 39 4.980 -4.585 1.281 298 3HG2 VAL 39 3HG2 VAL 39 5.537 -3.573 -0.052 299 H TYR 40 H TYR 40 3.601 -8.049 -2.054 300 HA TYR 40 HA TYR 40 2.564 -8.747 0.600 301 1HB TYR 40 2HB TYR 40 0.707 -9.824 -0.244 302 2HB TYR 40 1HB TYR 40 0.823 -8.402 -1.268 303 HD1 TYR 40 HD1 TYR 40 1.093 -8.608 -3.529 304 HD2 TYR 40 HD2 TYR 40 1.403 -12.087 -1.191 305 HE1 TYR 40 HE1 TYR 40 0.958 -9.945 -5.579 306 HE2 TYR 40 HE2 TYR 40 1.289 -13.478 -3.221 307 HH TYR 40 HH TYR 40 1.786 -12.352 -6.246 308 H ALA 41 H ALA 41 2.819 -10.589 1.400 309 HA ALA 41 HA ALA 41 5.072 -12.058 0.384 310 1HB ALA 41 1HB ALA 41 4.989 -13.075 2.607 311 2HB ALA 41 2HB ALA 41 3.527 -12.176 2.957 312 3HB ALA 41 3HB ALA 41 5.042 -11.334 2.687 313 H ASP 42 H ASP 42 4.587 -13.259 -1.093 314 HA ASP 42 HA ASP 42 2.267 -14.321 -2.039 315 1HB ASP 42 2HB ASP 42 4.706 -14.247 -2.973 316 2HB ASP 42 1HB ASP 42 4.812 -15.877 -2.327 317 H GLY 43 H GLY 43 2.433 -17.022 -2.515 318 1HA GLY 43 2HA GLY 43 1.039 -18.128 -0.352 319 2HA GLY 43 1HA GLY 43 1.748 -19.048 -1.670 320 H SER 44 H SER 44 4.396 -17.809 -0.832 321 HA SER 44 HA SER 44 5.374 -19.871 0.821 322 1HB SER 44 2HB SER 44 6.768 -18.595 -0.761 323 2HB SER 44 1HB SER 44 6.520 -17.142 0.208 324 HG SER 44 HG SER 44 7.534 -19.397 1.508 325 H ASP 45 H ASP 45 3.701 -17.011 1.455 326 HA ASP 45 HA ASP 45 3.155 -15.762 3.243 327 1HB ASP 45 2HB ASP 45 2.490 -16.904 5.255 328 2HB ASP 45 1HB ASP 45 2.042 -17.886 3.875 329 H ASN 46 H ASN 46 5.788 -15.588 2.507 330 HA ASN 46 HA ASN 46 7.150 -14.787 4.910 331 1HB ASN 46 2HB ASN 46 7.347 -17.334 4.815 332 2HB ASN 46 1HB ASN 46 8.299 -17.102 3.355 333 1HD2 ASN 46 1HD2 ASN 46 8.964 -18.275 5.959 334 2HD2 ASN 46 2HD2 ASN 46 10.359 -17.411 6.527 335 H TRP 47 H TRP 47 8.714 -13.277 4.355 336 HA TRP 47 HA TRP 47 9.137 -12.925 1.556 337 1HB TRP 47 2HB TRP 47 9.333 -11.174 3.850 338 2HB TRP 47 1HB TRP 47 10.589 -10.958 2.620 339 HD1 TRP 47 HD1 TRP 47 9.569 -11.201 0.041 340 HE1 TRP 47 HE1 TRP 47 7.509 -10.005 -0.928 341 HE3 TRP 47 HE3 TRP 47 7.230 -10.006 4.378 342 HZ2 TRP 47 HZ2 TRP 47 5.191 -8.816 0.095 343 HZ3 TRP 47 HZ3 TRP 47 5.155 -8.869 4.275 344 HH2 TRP 47 HH2 TRP 47 4.140 -8.254 2.179 345 H ASN 48 H ASN 48 10.428 -14.645 1.022 346 HA ASN 48 HA ASN 48 12.985 -15.058 2.316 347 1HB ASN 48 2HB ASN 48 12.264 -16.332 -0.297 348 2HB ASN 48 1HB ASN 48 13.128 -17.015 1.075 349 1HD2 ASN 48 1HD2 ASN 48 10.073 -16.443 -0.386 350 2HD2 ASN 48 2HD2 ASN 48 9.110 -17.329 0.756 351 H ASN 49 H ASN 49 12.965 -12.517 1.513 352 HA ASN 49 HA ASN 49 13.858 -10.889 0.216 353 1HB ASN 49 2HB ASN 49 15.671 -13.173 -0.577 354 2HB ASN 49 1HB ASN 49 15.902 -11.522 -1.158 355 1HD2 ASN 49 1HD2 ASN 49 16.095 -13.663 1.567 356 2HD2 ASN 49 2HD2 ASN 49 16.943 -12.580 2.615 357 H ASN 50 H ASN 50 11.596 -12.367 -0.713 358 HA ASN 50 HA ASN 50 11.894 -12.471 -3.612 359 1HB ASN 50 2HB ASN 50 10.624 -14.254 -2.373 360 2HB ASN 50 1HB ASN 50 9.434 -13.026 -1.921 361 1HD2 ASN 50 1HD2 ASN 50 9.102 -15.468 -3.447 362 2HD2 ASN 50 2HD2 ASN 50 8.470 -14.989 -5.004 363 H GLY 51 H GLY 51 11.217 -10.857 -4.920 364 1HA GLY 51 2HA GLY 51 10.245 -8.474 -3.539 365 2HA GLY 51 1HA GLY 51 11.045 -8.494 -5.110 366 H ASN 52 H ASN 52 8.188 -9.980 -3.640 367 HA ASN 52 HA ASN 52 6.617 -9.708 -6.025 368 1HB ASN 52 2HB ASN 52 5.936 -10.495 -3.192 369 2HB ASN 52 1HB ASN 52 4.718 -10.377 -4.457 370 1HD2 ASN 52 1HD2 ASN 52 5.809 -12.622 -2.846 371 2HD2 ASN 52 2HD2 ASN 52 6.250 -13.828 -4.012 372 H ILE 53 H ILE 53 7.028 -7.372 -6.260 373 HA ILE 53 HA ILE 53 5.252 -5.797 -4.536 374 HB ILE 53 HB ILE 53 7.446 -4.900 -4.402 375 1HG1 ILE 53 2HG1 ILE 53 5.375 -3.345 -4.953 376 2HG1 ILE 53 1HG1 ILE 53 6.990 -2.678 -4.780 377 1HG2 ILE 53 1HG2 ILE 53 7.541 -4.686 -7.397 378 2HG2 ILE 53 2HG2 ILE 53 8.309 -5.962 -6.459 379 3HG2 ILE 53 3HG2 ILE 53 8.826 -4.290 -6.256 380 1HD1 ILE 53 1HD1 ILE 53 5.601 -3.311 -7.375 381 2HD1 ILE 53 2HD1 ILE 53 7.235 -2.666 -7.216 382 3HD1 ILE 53 3HD1 ILE 53 5.854 -1.710 -6.680 383 H ILE 54 H ILE 54 3.586 -4.776 -5.327 384 HA ILE 54 HA ILE 54 3.256 -4.705 -8.249 385 HB ILE 54 HB ILE 54 1.635 -6.210 -7.029 386 1HG1 ILE 54 2HG1 ILE 54 -0.412 -5.180 -8.163 387 2HG1 ILE 54 1HG1 ILE 54 0.668 -3.877 -8.660 388 1HG2 ILE 54 1HG2 ILE 54 0.429 -3.649 -6.010 389 2HG2 ILE 54 2HG2 ILE 54 1.349 -4.794 -5.029 390 3HG2 ILE 54 3HG2 ILE 54 -0.174 -5.290 -5.769 391 1HD1 ILE 54 1HD1 ILE 54 1.063 -6.793 -9.286 392 2HD1 ILE 54 2HD1 ILE 54 2.059 -5.447 -9.853 393 3HD1 ILE 54 3HD1 ILE 54 0.384 -5.593 -10.389 394 H ALA 55 H ALA 55 3.260 -2.713 -9.088 395 HA ALA 55 HA ALA 55 3.470 -0.483 -7.280 396 1HB ALA 55 1HB ALA 55 4.877 -0.660 -9.301 397 2HB ALA 55 2HB ALA 55 3.969 0.851 -9.223 398 3HB ALA 55 3HB ALA 55 3.435 -0.448 -10.297 399 H ALA 56 H ALA 56 1.993 1.036 -6.854 400 HA ALA 56 HA ALA 56 -0.743 0.495 -7.662 401 1HB ALA 56 1HB ALA 56 -1.341 2.135 -5.960 402 2HB ALA 56 2HB ALA 56 0.353 2.545 -5.746 403 3HB ALA 56 3HB ALA 56 -0.224 0.938 -5.307 404 H SER 57 H SER 57 -2.159 2.243 -8.365 405 HA SER 57 HA SER 57 -0.761 4.309 -9.906 406 1HB SER 57 2HB SER 57 -3.486 3.087 -10.444 407 2HB SER 57 1HB SER 57 -2.657 4.278 -11.450 408 HG SER 57 HG SER 57 -1.031 2.191 -11.028 409 H PHE 58 H PHE 58 -2.603 6.178 -10.234 410 HA PHE 58 HA PHE 58 -3.772 6.647 -7.673 411 1HB PHE 58 2HB PHE 58 -2.645 8.609 -7.119 412 2HB PHE 58 1HB PHE 58 -1.371 7.559 -7.722 413 HD1 PHE 58 HD1 PHE 58 -1.484 7.792 -10.539 414 HD2 PHE 58 HD2 PHE 58 -2.163 10.785 -7.618 415 HE1 PHE 58 HE1 PHE 58 -0.826 9.498 -12.159 416 HE2 PHE 58 HE2 PHE 58 -1.510 12.522 -9.234 417 HZ PHE 58 HZ PHE 58 -0.838 11.880 -11.517 418 H SER 59 H SER 59 -5.381 8.083 -7.578 419 HA SER 59 HA SER 59 -6.672 8.725 -10.099 420 1HB SER 59 2HB SER 59 -7.943 7.693 -8.185 421 2HB SER 59 1HB SER 59 -7.671 9.172 -7.267 422 HG SER 59 HG SER 59 -9.677 9.332 -8.223 423 H GLY 60 H GLY 60 -5.257 10.280 -7.260 424 1HA GLY 60 2HA GLY 60 -3.926 12.289 -8.294 425 2HA GLY 60 1HA GLY 60 -5.556 12.897 -8.549 426 HA PRO 61 HA PRO 61 -4.134 14.274 -4.308 427 1HB PRO 61 2HB PRO 61 -5.071 16.873 -5.344 428 2HB PRO 61 1HB PRO 61 -3.564 16.474 -4.514 429 1HG PRO 61 2HG PRO 61 -3.603 17.047 -7.132 430 2HG PRO 61 1HG PRO 61 -2.504 15.825 -6.467 431 1HD PRO 61 2HD PRO 61 -5.100 15.448 -7.917 432 2HD PRO 61 1HD PRO 61 -3.576 14.548 -8.085 433 H ILE 62 H ILE 62 -5.567 14.397 -2.678 434 HA ILE 62 HA ILE 62 -8.353 14.029 -3.338 435 HB ILE 62 HB ILE 62 -7.133 14.194 -0.579 436 1HG1 ILE 62 2HG1 ILE 62 -7.438 11.776 -2.375 437 2HG1 ILE 62 1HG1 ILE 62 -5.916 12.510 -1.890 438 1HG2 ILE 62 1HG2 ILE 62 -9.039 12.546 -0.169 439 2HG2 ILE 62 2HG2 ILE 62 -9.696 13.123 -1.702 440 3HG2 ILE 62 3HG2 ILE 62 -9.452 14.249 -0.363 441 1HD1 ILE 62 1HD1 ILE 62 -6.536 11.980 0.477 442 2HD1 ILE 62 2HD1 ILE 62 -6.205 10.599 -0.563 443 3HD1 ILE 62 3HD1 ILE 62 -7.871 11.027 -0.171 444 H SER 63 H SER 63 -9.589 15.748 -3.715 445 HA SER 63 HA SER 63 -8.872 18.378 -2.996 446 1HB SER 63 2HB SER 63 -11.205 18.916 -3.834 447 2HB SER 63 1HB SER 63 -10.158 18.070 -4.972 448 HG SER 63 HG SER 63 -12.540 17.348 -4.192 449 H GLY 64 H GLY 64 -9.472 19.681 -1.366 450 1HA GLY 64 2HA GLY 64 -10.705 20.364 0.519 451 2HA GLY 64 1HA GLY 64 -11.519 18.803 0.531 452 H SER 65 H SER 65 -8.448 17.992 0.086 453 HA SER 65 HA SER 65 -7.601 18.183 2.877 454 1HB SER 65 2HB SER 65 -7.685 15.581 1.323 455 2HB SER 65 1HB SER 65 -7.112 15.792 2.978 456 HG SER 65 HG SER 65 -9.507 16.815 2.937 457 H ASN 66 H ASN 66 -5.292 17.288 3.049 458 HA ASN 66 HA ASN 66 -3.801 18.121 0.654 459 1HB ASN 66 2HB ASN 66 -3.032 18.121 3.574 460 2HB ASN 66 1HB ASN 66 -1.879 18.407 2.273 461 1HD2 ASN 66 1HD2 ASN 66 -4.700 19.626 3.923 462 2HD2 ASN 66 2HD2 ASN 66 -4.552 21.257 3.368 463 H TYR 67 H TYR 67 -4.821 15.654 0.522 464 HA TYR 67 HA TYR 67 -2.505 13.907 0.989 465 1HB TYR 67 2HB TYR 67 -5.322 13.560 1.774 466 2HB TYR 67 1HB TYR 67 -4.611 12.166 0.968 467 HD1 TYR 67 HD1 TYR 67 -3.366 14.631 3.496 468 HD2 TYR 67 HD2 TYR 67 -3.969 10.559 2.466 469 HE1 TYR 67 HE1 TYR 67 -2.295 13.947 5.601 470 HE2 TYR 67 HE2 TYR 67 -2.904 9.856 4.564 471 HH TYR 67 HH TYR 67 -1.344 10.724 6.209 472 H GLU 68 H GLU 68 -2.746 11.869 -0.404 473 HA GLU 68 HA GLU 68 -3.692 12.631 -3.088 474 1HB GLU 68 2HB GLU 68 -1.111 12.474 -2.518 475 2HB GLU 68 1HB GLU 68 -1.387 10.748 -2.660 476 1HG GLU 68 2HG GLU 68 -2.126 11.031 -4.946 477 2HG GLU 68 1HG GLU 68 -1.955 12.776 -4.795 478 H TYR 69 H TYR 69 -3.853 10.336 -4.454 479 HA TYR 69 HA TYR 69 -5.367 8.560 -2.736 480 1HB TYR 69 2HB TYR 69 -6.863 10.553 -3.418 481 2HB TYR 69 1HB TYR 69 -6.814 9.860 -5.039 482 HD1 TYR 69 HD1 TYR 69 -6.928 8.141 -1.776 483 HD2 TYR 69 HD2 TYR 69 -9.010 9.027 -5.366 484 HE1 TYR 69 HE1 TYR 69 -8.718 6.607 -1.095 485 HE2 TYR 69 HE2 TYR 69 -10.809 7.477 -4.711 486 HH TYR 69 HH TYR 69 -11.151 6.275 -1.579 487 H TRP 70 H TRP 70 -5.159 6.600 -3.426 488 HA TRP 70 HA TRP 70 -3.961 6.249 -6.085 489 1HB TRP 70 2HB TRP 70 -3.377 4.744 -3.528 490 2HB TRP 70 1HB TRP 70 -2.524 4.585 -5.066 491 HD1 TRP 70 HD1 TRP 70 -3.145 7.359 -2.424 492 HE1 TRP 70 HE1 TRP 70 -1.057 8.823 -2.419 493 HE3 TRP 70 HE3 TRP 70 -0.616 5.235 -6.048 494 HZ2 TRP 70 HZ2 TRP 70 1.385 9.053 -3.721 495 HZ3 TRP 70 HZ3 TRP 70 1.647 5.992 -6.669 496 HH2 TRP 70 HH2 TRP 70 2.611 7.932 -5.521 497 H THR 71 H THR 71 -4.505 4.381 -7.201 498 HA THR 71 HA THR 71 -6.559 2.624 -6.105 499 HB THR 71 HB THR 71 -7.801 3.013 -8.399 500 HG1 THR 71 HG1 THR 71 -6.474 4.512 -9.350 501 1HG2 THR 71 1HG2 THR 71 -8.018 4.955 -6.097 502 2HG2 THR 71 2HG2 THR 71 -8.857 3.412 -6.251 503 3HG2 THR 71 3HG2 THR 71 -9.234 4.735 -7.356 504 H PHE 72 H PHE 72 -6.450 0.556 -7.047 505 HA PHE 72 HA PHE 72 -5.586 0.181 -9.683 506 1HB PHE 72 2HB PHE 72 -3.422 -0.770 -9.486 507 2HB PHE 72 1HB PHE 72 -3.373 0.731 -8.574 508 HD1 PHE 72 HD1 PHE 72 -4.123 0.319 -5.974 509 HD2 PHE 72 HD2 PHE 72 -2.325 -2.530 -8.569 510 HE1 PHE 72 HE1 PHE 72 -3.283 -0.919 -4.023 511 HE2 PHE 72 HE2 PHE 72 -1.480 -3.768 -6.624 512 HZ PHE 72 HZ PHE 72 -1.958 -2.963 -4.350 513 H SER 73 H SER 73 -5.494 -2.016 -10.373 514 HA SER 73 HA SER 73 -6.620 -3.946 -8.459 515 1HB SER 73 2HB SER 73 -7.502 -5.106 -10.559 516 2HB SER 73 1HB SER 73 -8.289 -3.592 -10.116 517 HG SER 73 HG SER 73 -7.778 -2.909 -12.023 518 H ALA 74 H ALA 74 -5.766 -6.062 -8.497 519 HA ALA 74 HA ALA 74 -3.207 -6.359 -9.938 520 1HB ALA 74 1HB ALA 74 -2.936 -7.113 -7.146 521 2HB ALA 74 2HB ALA 74 -3.289 -5.399 -7.354 522 3HB ALA 74 3HB ALA 74 -1.888 -6.110 -8.157 523 H SER 75 H SER 75 -3.666 -8.258 -11.006 524 HA SER 75 HA SER 75 -4.993 -10.469 -9.792 525 1HB SER 75 2HB SER 75 -4.738 -10.079 -12.284 526 2HB SER 75 1HB SER 75 -3.052 -10.561 -12.121 527 HG SER 75 HG SER 75 -5.253 -12.095 -12.319 528 H VAL 76 H VAL 76 -4.184 -11.541 -8.058 529 HA VAL 76 HA VAL 76 -1.259 -11.514 -7.740 530 HB VAL 76 HB VAL 76 -1.590 -11.875 -5.390 531 1HG1 VAL 76 1HG1 VAL 76 -3.212 -9.898 -4.904 532 2HG1 VAL 76 2HG1 VAL 76 -3.265 -9.767 -6.658 533 3HG1 VAL 76 3HG1 VAL 76 -1.726 -9.604 -5.820 534 1HG2 VAL 76 1HG2 VAL 76 -3.664 -12.253 -4.342 535 2HG2 VAL 76 2HG2 VAL 76 -3.568 -13.396 -5.683 536 3HG2 VAL 76 3HG2 VAL 76 -4.560 -11.951 -5.830 537 H LYS 77 H LYS 77 -0.196 -13.399 -6.891 538 HA LYS 77 HA LYS 77 -1.077 -15.766 -8.329 539 1HB LYS 77 2HB LYS 77 1.439 -15.368 -6.704 540 2HB LYS 77 1HB LYS 77 1.148 -16.597 -7.925 541 1HG LYS 77 2HG LYS 77 1.269 -15.038 -9.681 542 2HG LYS 77 1HG LYS 77 1.136 -13.666 -8.578 543 1HD LYS 77 2HD LYS 77 3.419 -13.842 -9.282 544 2HD LYS 77 1HD LYS 77 3.329 -14.338 -7.594 545 1HE LYS 77 2HE LYS 77 4.743 -15.895 -8.665 546 2HE LYS 77 1HE LYS 77 3.200 -16.714 -8.423 547 1HZ LYS 77 1HZ LYS 77 4.142 -15.478 -10.953 548 2HZ LYS 77 2HZ LYS 77 2.630 -16.215 -10.733 549 3HZ LYS 77 3HZ LYS 77 4.047 -17.140 -10.629 550 H GLY 78 H GLY 78 -0.929 -14.552 -5.136 551 1HA GLY 78 2HA GLY 78 -2.553 -16.148 -3.766 552 2HA GLY 78 1HA GLY 78 -1.108 -17.152 -3.854 553 H ILE 79 H ILE 79 -2.666 -14.740 -2.117 554 HA ILE 79 HA ILE 79 -0.129 -13.739 -1.017 555 HB ILE 79 HB ILE 79 -1.269 -11.984 -2.085 556 1HG1 ILE 79 2HG1 ILE 79 -1.893 -11.678 0.853 557 2HG1 ILE 79 1HG1 ILE 79 -0.314 -11.407 0.127 558 1HG2 ILE 79 1HG2 ILE 79 -3.636 -11.412 -1.109 559 2HG2 ILE 79 2HG2 ILE 79 -3.676 -13.142 -0.820 560 3HG2 ILE 79 3HG2 ILE 79 -3.433 -12.531 -2.452 561 1HD1 ILE 79 1HD1 ILE 79 -2.735 -9.907 -0.792 562 2HD1 ILE 79 2HD1 ILE 79 -1.050 -9.522 -1.047 563 3HD1 ILE 79 3HD1 ILE 79 -1.752 -9.364 0.563 564 H LYS 80 H LYS 80 0.225 -13.720 1.097 565 HA LYS 80 HA LYS 80 -1.790 -15.063 2.786 566 1HB LYS 80 2HB LYS 80 1.222 -15.227 2.932 567 2HB LYS 80 1HB LYS 80 0.119 -15.974 4.079 568 1HG LYS 80 2HG LYS 80 0.209 -16.608 1.135 569 2HG LYS 80 1HG LYS 80 1.026 -17.539 2.390 570 1HD LYS 80 2HD LYS 80 -1.160 -17.974 3.451 571 2HD LYS 80 1HD LYS 80 -1.949 -17.095 2.140 572 1HE LYS 80 2HE LYS 80 -1.187 -18.704 0.530 573 2HE LYS 80 1HE LYS 80 -0.209 -19.524 1.748 574 1HZ LYS 80 1HZ LYS 80 -2.212 -20.754 1.417 575 2HZ LYS 80 2HZ LYS 80 -3.176 -19.375 1.640 576 3HZ LYS 80 3HZ LYS 80 -2.297 -20.022 2.945 577 H GLU 81 H GLU 81 0.858 -12.709 2.783 578 HA GLU 81 HA GLU 81 -0.373 -11.256 5.015 579 1HB GLU 81 2HB GLU 81 2.577 -11.830 5.157 580 2HB GLU 81 1HB GLU 81 1.505 -11.277 6.428 581 1HG GLU 81 2HG GLU 81 1.319 -14.035 5.279 582 2HG GLU 81 1HG GLU 81 2.422 -13.633 6.592 583 H PHE 82 H PHE 82 0.439 -8.950 5.054 584 HA PHE 82 HA PHE 82 2.679 -8.300 3.475 585 1HB PHE 82 2HB PHE 82 1.782 -7.305 1.531 586 2HB PHE 82 1HB PHE 82 1.010 -8.873 1.670 587 HD1 PHE 82 HD1 PHE 82 -1.304 -8.730 3.068 588 HD2 PHE 82 HD2 PHE 82 0.483 -5.578 0.846 589 HE1 PHE 82 HE1 PHE 82 -3.512 -7.694 2.774 590 HE2 PHE 82 HE2 PHE 82 -1.722 -4.521 0.561 591 HZ PHE 82 HZ PHE 82 -3.723 -5.583 1.523 592 H TYR 83 H TYR 83 2.591 -5.921 2.759 593 HA TYR 83 HA TYR 83 1.127 -4.087 4.372 594 1HB TYR 83 2HB TYR 83 3.327 -3.067 5.308 595 2HB TYR 83 1HB TYR 83 2.610 -4.438 6.137 596 HD1 TYR 83 HD1 TYR 83 4.887 -4.183 3.162 597 HD2 TYR 83 HD2 TYR 83 4.262 -5.708 7.084 598 HE1 TYR 83 HE1 TYR 83 7.041 -5.364 3.047 599 HE2 TYR 83 HE2 TYR 83 6.411 -6.891 6.974 600 HH TYR 83 HH TYR 83 8.700 -6.279 4.480 601 H ILE 84 H ILE 84 1.867 -1.778 3.812 602 HA ILE 84 HA ILE 84 2.672 -1.839 0.985 603 HB ILE 84 HB ILE 84 1.403 0.516 2.361 604 1HG1 ILE 84 2HG1 ILE 84 0.164 -2.008 1.955 605 2HG1 ILE 84 1HG1 ILE 84 -0.591 -0.507 2.461 606 1HG2 ILE 84 1HG2 ILE 84 0.682 0.973 0.009 607 2HG2 ILE 84 2HG2 ILE 84 1.710 -0.372 -0.501 608 3HG2 ILE 84 3HG2 ILE 84 2.423 1.045 0.280 609 1HD1 ILE 84 1HD1 ILE 84 -0.338 -1.614 -0.318 610 2HD1 ILE 84 2HD1 ILE 84 -0.825 0.047 0.011 611 3HD1 ILE 84 3HD1 ILE 84 -1.807 -1.294 0.604 612 H LYS 85 H LYS 85 4.310 -0.519 0.198 613 HA LYS 85 HA LYS 85 5.998 0.738 2.218 614 1HB LYS 85 2HB LYS 85 6.650 -0.024 -0.628 615 2HB LYS 85 1HB LYS 85 7.774 0.611 0.565 616 1HG LYS 85 2HG LYS 85 6.965 -1.507 1.915 617 2HG LYS 85 1HG LYS 85 6.634 -2.101 0.283 618 1HD LYS 85 2HD LYS 85 9.202 -0.802 0.981 619 2HD LYS 85 1HD LYS 85 8.964 -2.517 1.303 620 1HE LYS 85 2HE LYS 85 10.023 -2.449 -0.790 621 2HE LYS 85 1HE LYS 85 8.320 -2.691 -1.172 622 1HZ LYS 85 1HZ LYS 85 9.631 -0.028 -1.175 623 2HZ LYS 85 2HZ LYS 85 8.099 -0.427 -1.793 624 3HZ LYS 85 3HZ LYS 85 9.497 -0.997 -2.555 625 H TYR 86 H TYR 86 6.209 2.824 2.236 626 HA TYR 86 HA TYR 86 5.027 4.375 0.043 627 1HB TYR 86 2HB TYR 86 4.115 4.850 2.294 628 2HB TYR 86 1HB TYR 86 5.729 5.298 2.841 629 HD1 TYR 86 HD1 TYR 86 3.927 6.113 -0.317 630 HD2 TYR 86 HD2 TYR 86 5.675 7.591 3.260 631 HE1 TYR 86 HE1 TYR 86 3.546 8.405 -1.081 632 HE2 TYR 86 HE2 TYR 86 5.298 9.897 2.498 633 HH TYR 86 HH TYR 86 3.264 10.805 0.293 634 H GLU 87 H GLU 87 6.541 4.718 -1.430 635 HA GLU 87 HA GLU 87 9.220 5.487 -0.541 636 1HB GLU 87 2HB GLU 87 8.904 3.386 -1.937 637 2HB GLU 87 1HB GLU 87 8.419 4.441 -3.257 638 1HG GLU 87 2HG GLU 87 10.557 5.423 -3.380 639 2HG GLU 87 1HG GLU 87 11.048 4.692 -1.853 640 H VAL 88 H VAL 88 9.934 7.447 -1.037 641 HA VAL 88 HA VAL 88 8.247 9.147 -2.752 642 HB VAL 88 HB VAL 88 9.798 10.196 -0.395 643 1HG1 VAL 88 1HG1 VAL 88 8.220 12.003 -0.455 644 2HG1 VAL 88 2HG1 VAL 88 7.247 11.169 -1.660 645 3HG1 VAL 88 3HG1 VAL 88 8.854 11.759 -2.083 646 1HG2 VAL 88 1HG2 VAL 88 7.068 8.937 -0.338 647 2HG2 VAL 88 2HG2 VAL 88 7.646 10.029 0.911 648 3HG2 VAL 88 3HG2 VAL 88 8.480 8.506 0.622 649 H SER 89 H SER 89 9.522 11.086 -3.521 650 HA SER 89 HA SER 89 11.838 10.259 -4.901 651 1HB SER 89 2HB SER 89 11.939 12.641 -5.596 652 2HB SER 89 1HB SER 89 10.382 11.870 -5.879 653 HG SER 89 HG SER 89 11.095 13.801 -3.951 654 H GLY 90 H GLY 90 12.032 10.174 -1.977 655 1HA GLY 90 2HA GLY 90 14.696 10.685 -1.652 656 2HA GLY 90 1HA GLY 90 13.879 12.121 -1.060 657 H LYS 91 H LYS 91 11.552 10.654 -0.110 658 HA LYS 91 HA LYS 91 12.743 9.653 2.370 659 1HB LYS 91 2HB LYS 91 10.567 11.395 1.751 660 2HB LYS 91 1HB LYS 91 9.932 9.998 2.606 661 1HG LYS 91 2HG LYS 91 10.412 11.524 4.296 662 2HG LYS 91 1HG LYS 91 11.792 10.430 4.302 663 1HD LYS 91 2HD LYS 91 11.835 13.003 2.753 664 2HD LYS 91 1HD LYS 91 12.263 12.949 4.461 665 1HE LYS 91 2HE LYS 91 14.070 11.435 4.016 666 2HE LYS 91 1HE LYS 91 13.568 11.258 2.337 667 1HZ LYS 91 1HZ LYS 91 14.021 13.660 2.058 668 2HZ LYS 91 2HZ LYS 91 15.400 12.746 2.417 669 3HZ LYS 91 3HZ LYS 91 14.677 13.695 3.622 670 H THR 92 H THR 92 11.611 7.873 3.487 671 HA THR 92 HA THR 92 9.803 6.261 1.878 672 HB THR 92 HB THR 92 12.159 4.915 3.180 673 HG1 THR 92 HG1 THR 92 12.226 6.389 0.965 674 1HG2 THR 92 1HG2 THR 92 10.228 3.496 2.798 675 2HG2 THR 92 2HG2 THR 92 11.527 3.051 1.691 676 3HG2 THR 92 3HG2 THR 92 10.163 4.004 1.112 677 H TYR 93 H TYR 93 8.390 5.098 3.101 678 HA TYR 93 HA TYR 93 8.834 4.855 5.978 679 1HB TYR 93 2HB TYR 93 6.200 5.884 4.896 680 2HB TYR 93 1HB TYR 93 6.642 5.672 6.581 681 HD1 TYR 93 HD1 TYR 93 6.834 7.776 3.701 682 HD2 TYR 93 HD2 TYR 93 8.199 7.256 7.673 683 HE1 TYR 93 HE1 TYR 93 7.527 10.145 3.756 684 HE2 TYR 93 HE2 TYR 93 8.901 9.615 7.761 685 HH TYR 93 HH TYR 93 7.916 11.898 5.469 686 H TYR 94 H TYR 94 6.300 3.798 6.562 687 HA TYR 94 HA TYR 94 6.036 1.420 4.918 688 1HB TYR 94 2HB TYR 94 7.882 1.504 7.054 689 2HB TYR 94 1HB TYR 94 6.501 0.589 7.644 690 HD1 TYR 94 HD1 TYR 94 8.577 0.786 4.534 691 HD2 TYR 94 HD2 TYR 94 6.620 -1.691 7.386 692 HE1 TYR 94 HE1 TYR 94 9.448 -1.208 3.392 693 HE2 TYR 94 HE2 TYR 94 7.486 -3.691 6.250 694 HH TYR 94 HH TYR 94 9.966 -3.587 4.001 695 H ASP 95 H ASP 95 3.956 0.684 5.039 696 HA ASP 95 HA ASP 95 2.477 1.327 7.507 697 1HB ASP 95 2HB ASP 95 1.554 2.487 5.496 698 2HB ASP 95 1HB ASP 95 1.229 0.907 4.784 699 H ASN 96 H ASN 96 2.871 -0.479 8.619 700 HA ASN 96 HA ASN 96 1.938 -3.017 7.450 701 1HB ASN 96 2HB ASN 96 3.683 -4.186 8.707 702 2HB ASN 96 1HB ASN 96 4.402 -2.988 7.638 703 1HD2 ASN 96 1HD2 ASN 96 5.470 -4.227 10.051 704 2HD2 ASN 96 2HD2 ASN 96 5.842 -2.927 11.138 705 H ASN 97 H ASN 97 0.513 -1.039 9.021 706 HA ASN 97 HA ASN 97 -0.937 -0.878 10.768 707 1HB ASN 97 2HB ASN 97 -0.076 -3.725 11.331 708 2HB ASN 97 1HB ASN 97 -1.292 -2.878 12.274 709 1HD2 ASN 97 1HD2 ASN 97 -2.948 -4.222 11.786 710 2HD2 ASN 97 2HD2 ASN 97 -3.629 -4.369 10.184 711 H ASN 98 H ASN 98 1.842 -2.746 11.827 712 HA ASN 98 HA ASN 98 3.285 -0.746 13.078 713 1HB ASN 98 2HB ASN 98 1.348 -0.759 14.716 714 2HB ASN 98 1HB ASN 98 1.773 -2.423 15.107 715 1HD2 ASN 98 1HD2 ASN 98 4.046 0.148 14.381 716 2HD2 ASN 98 2HD2 ASN 98 4.759 0.223 15.958 717 H SER 99 H SER 99 2.173 -4.038 13.568 718 HA SER 99 HA SER 99 4.564 -5.172 12.500 719 1HB SER 99 2HB SER 99 5.060 -6.505 14.600 720 2HB SER 99 1HB SER 99 5.443 -4.787 14.714 721 HG SER 99 HG SER 99 4.315 -5.467 16.558 722 H ALA 100 H ALA 100 1.729 -5.166 11.972 723 HA ALA 100 HA ALA 100 0.825 -7.788 12.930 724 1HB ALA 100 1HB ALA 100 -1.437 -7.009 12.396 725 2HB ALA 100 2HB ALA 100 -0.768 -5.467 11.868 726 3HB ALA 100 3HB ALA 100 -0.621 -5.961 13.554 727 H ASN 101 H ASN 101 1.162 -5.837 10.000 728 HA ASN 101 HA ASN 101 0.961 -6.318 7.781 729 1HB ASN 101 2HB ASN 101 2.132 -8.383 7.005 730 2HB ASN 101 1HB ASN 101 3.090 -7.280 7.978 731 1HD2 ASN 101 1HD2 ASN 101 1.441 -10.362 7.925 732 2HD2 ASN 101 2HD2 ASN 101 2.271 -11.038 9.271 733 H TYR 102 H TYR 102 -0.891 -6.434 6.908 734 HA TYR 102 HA TYR 102 -3.028 -7.837 7.975 735 1HB TYR 102 2HB TYR 102 -3.386 -7.407 5.114 736 2HB TYR 102 1HB TYR 102 -4.298 -6.767 6.468 737 HD1 TYR 102 HD1 TYR 102 -1.310 -6.237 4.373 738 HD2 TYR 102 HD2 TYR 102 -4.017 -4.497 7.151 739 HE1 TYR 102 HE1 TYR 102 -0.400 -4.030 3.857 740 HE2 TYR 102 HE2 TYR 102 -3.100 -2.265 6.647 741 HH TYR 102 HH TYR 102 -1.125 -1.230 5.719 742 H GLN 103 H GLN 103 -3.417 -9.915 8.040 743 HA GLN 103 HA GLN 103 -2.160 -11.682 6.123 744 1HB GLN 103 2HB GLN 103 -3.392 -13.447 7.634 745 2HB GLN 103 1HB GLN 103 -1.880 -12.719 8.126 746 1HG GLN 103 2HG GLN 103 -4.577 -11.730 8.979 747 2HG GLN 103 1HG GLN 103 -3.637 -12.907 9.883 748 1HE2 GLN 103 1HE2 GLN 103 -1.076 -11.541 9.273 749 2HE2 GLN 103 2HE2 GLN 103 -1.059 -10.081 10.207 750 H VAL 104 H VAL 104 -3.103 -12.557 4.509 751 HA VAL 104 HA VAL 104 -5.917 -11.908 4.016 752 HB VAL 104 HB VAL 104 -4.022 -13.050 1.982 753 1HG1 VAL 104 1HG1 VAL 104 -6.435 -12.932 1.483 754 2HG1 VAL 104 2HG1 VAL 104 -5.463 -11.947 0.400 755 3HG1 VAL 104 3HG1 VAL 104 -6.373 -11.184 1.701 756 1HG2 VAL 104 1HG2 VAL 104 -4.332 -10.103 2.525 757 2HG2 VAL 104 2HG2 VAL 104 -3.256 -10.874 1.361 758 3HG2 VAL 104 3HG2 VAL 104 -2.975 -11.066 3.093 759 H SER 105 H SER 105 -7.380 -13.452 3.285 760 HA SER 105 HA SER 105 -6.764 -16.176 4.138 761 1HB SER 105 2HB SER 105 -9.428 -14.928 3.413 762 2HB SER 105 1HB SER 105 -9.185 -16.519 4.135 763 HG SER 105 HG SER 105 -7.900 -14.815 5.673 764 H THR 106 H THR 106 -5.401 -16.434 2.226 765 HA THR 106 HA THR 106 -6.970 -17.068 -0.181 766 HB THR 106 HB THR 106 -3.983 -16.606 -0.061 767 HG1 THR 106 HG1 THR 106 -4.518 -14.569 0.111 768 1HG2 THR 106 1HG2 THR 106 -5.943 -16.730 -2.357 769 2HG2 THR 106 2HG2 THR 106 -4.705 -17.926 -1.967 770 3HG2 THR 106 3HG2 THR 106 -4.235 -16.312 -2.504 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -10.012 17.457 14.685 2 2H ALA 1 2H ALA 1 -10.403 17.013 13.093 3 3H ALA 1 3H ALA 1 -9.644 18.498 13.397 4 HA ALA 1 HA ALA 1 -7.663 17.388 14.147 5 1HB ALA 1 1HB ALA 1 -7.455 14.968 13.940 6 2HB ALA 1 2HB ALA 1 -9.136 14.857 13.418 7 3HB ALA 1 3HB ALA 1 -8.753 15.391 15.056 8 H SER 2 H SER 2 -6.127 16.214 12.561 9 HA SER 2 HA SER 2 -6.767 17.297 9.923 10 1HB SER 2 2HB SER 2 -4.110 16.363 11.038 11 2HB SER 2 1HB SER 2 -4.359 17.191 9.501 12 HG SER 2 HG SER 2 -5.472 18.812 11.073 13 H ILE 3 H ILE 3 -5.985 16.021 8.018 14 HA ILE 3 HA ILE 3 -7.251 13.576 7.868 15 HB ILE 3 HB ILE 3 -4.898 14.333 6.139 16 1HG1 ILE 3 2HG1 ILE 3 -6.371 16.238 6.162 17 2HG1 ILE 3 1HG1 ILE 3 -6.623 15.380 4.646 18 1HG2 ILE 3 1HG2 ILE 3 -5.676 12.062 5.841 19 2HG2 ILE 3 2HG2 ILE 3 -6.098 13.038 4.433 20 3HG2 ILE 3 3HG2 ILE 3 -7.332 12.632 5.627 21 1HD1 ILE 3 1HD1 ILE 3 -8.412 15.462 7.052 22 2HD1 ILE 3 2HD1 ILE 3 -8.600 14.278 5.768 23 3HD1 ILE 3 3HD1 ILE 3 -8.758 15.995 5.408 24 HA PRO 4 HA PRO 4 -2.942 11.295 8.403 25 1HB PRO 4 2HB PRO 4 -1.469 13.322 9.980 26 2HB PRO 4 1HB PRO 4 -0.895 12.255 8.696 27 1HG PRO 4 2HG PRO 4 -1.241 14.872 8.271 28 2HG PRO 4 1HG PRO 4 -1.609 13.672 7.015 29 1HD PRO 4 2HD PRO 4 -3.476 15.166 8.815 30 2HD PRO 4 1HD PRO 4 -3.661 14.740 7.102 31 H SER 5 H SER 5 -2.889 9.893 10.046 32 HA SER 5 HA SER 5 -3.704 10.843 12.707 33 1HB SER 5 2HB SER 5 -5.606 9.743 11.483 34 2HB SER 5 1HB SER 5 -4.658 8.256 11.458 35 HG SER 5 HG SER 5 -5.316 9.661 13.840 36 H SER 6 H SER 6 -2.372 8.021 10.951 37 HA SER 6 HA SER 6 -0.733 7.475 13.329 38 1HB SER 6 2HB SER 6 -2.270 5.654 12.708 39 2HB SER 6 1HB SER 6 -1.548 5.586 11.104 40 HG SER 6 HG SER 6 -0.605 4.642 13.537 41 H ALA 7 H ALA 7 -0.355 6.630 9.865 42 HA ALA 7 HA ALA 7 2.382 7.690 10.049 43 1HB ALA 7 1HB ALA 7 3.056 6.027 8.454 44 2HB ALA 7 2HB ALA 7 1.391 5.496 8.238 45 3HB ALA 7 3HB ALA 7 2.211 5.229 9.779 46 H SER 8 H SER 8 3.158 7.831 7.512 47 HA SER 8 HA SER 8 1.852 10.089 6.451 48 1HB SER 8 2HB SER 8 3.675 8.216 4.933 49 2HB SER 8 1HB SER 8 3.436 9.944 4.664 50 HG SER 8 HG SER 8 4.417 10.325 6.690 51 H VAL 9 H VAL 9 1.596 6.652 5.807 52 HA VAL 9 HA VAL 9 -0.528 7.211 3.856 53 HB VAL 9 HB VAL 9 1.240 6.411 2.529 54 1HG1 VAL 9 1HG1 VAL 9 2.442 4.299 3.105 55 2HG1 VAL 9 2HG1 VAL 9 1.733 4.422 4.717 56 3HG1 VAL 9 3HG1 VAL 9 2.805 5.689 4.122 57 1HG2 VAL 9 1HG2 VAL 9 -0.830 5.243 2.015 58 2HG2 VAL 9 2HG2 VAL 9 -0.445 4.001 3.208 59 3HG2 VAL 9 3HG2 VAL 9 0.555 4.179 1.765 60 H GLN 10 H GLN 10 -2.211 5.710 3.764 61 HA GLN 10 HA GLN 10 -2.455 3.765 5.940 62 1HB GLN 10 2HB GLN 10 -3.407 5.905 6.757 63 2HB GLN 10 1HB GLN 10 -4.474 5.950 5.361 64 1HG GLN 10 2HG GLN 10 -5.396 3.734 6.185 65 2HG GLN 10 1HG GLN 10 -4.524 4.055 7.685 66 1HE2 GLN 10 1HE2 GLN 10 -5.960 6.533 5.700 67 2HE2 GLN 10 2HE2 GLN 10 -7.209 6.984 6.809 68 H LEU 11 H LEU 11 -3.413 1.925 5.188 69 HA LEU 11 HA LEU 11 -4.246 1.759 2.472 70 1HB LEU 11 2HB LEU 11 -3.285 -0.135 3.772 71 2HB LEU 11 1HB LEU 11 -4.773 -0.204 4.701 72 HG LEU 11 HG LEU 11 -6.013 -0.643 2.558 73 1HD1 LEU 11 1HD1 LEU 11 -4.769 -1.330 0.613 74 2HD1 LEU 11 2HD1 LEU 11 -3.239 -1.038 1.437 75 3HD1 LEU 11 3HD1 LEU 11 -4.307 0.312 1.055 76 1HD2 LEU 11 1HD2 LEU 11 -5.213 -2.992 2.388 77 2HD2 LEU 11 2HD2 LEU 11 -5.494 -2.463 4.046 78 3HD2 LEU 11 3HD2 LEU 11 -3.849 -2.568 3.420 79 H ASP 12 H ASP 12 -6.226 1.810 1.585 80 HA ASP 12 HA ASP 12 -8.379 2.877 3.212 81 1HB ASP 12 2HB ASP 12 -7.835 3.877 1.023 82 2HB ASP 12 1HB ASP 12 -8.247 2.379 0.230 83 H SER 13 H SER 13 -8.003 0.298 0.828 84 HA SER 13 HA SER 13 -9.429 -1.689 2.202 85 1HB SER 13 2HB SER 13 -11.576 -1.635 0.883 86 2HB SER 13 1HB SER 13 -11.396 -0.314 2.038 87 HG SER 13 HG SER 13 -10.999 1.094 0.407 88 H TYR 14 H TYR 14 -9.969 -3.528 0.928 89 HA TYR 14 HA TYR 14 -9.193 -3.676 -1.848 90 1HB TYR 14 2HB TYR 14 -7.466 -5.390 -1.479 91 2HB TYR 14 1HB TYR 14 -7.009 -3.845 -0.771 92 HD1 TYR 14 HD1 TYR 14 -8.223 -7.218 -0.029 93 HD2 TYR 14 HD2 TYR 14 -6.652 -3.633 1.572 94 HE1 TYR 14 HE1 TYR 14 -7.793 -8.379 2.084 95 HE2 TYR 14 HE2 TYR 14 -6.231 -4.756 3.714 96 HH TYR 14 HH TYR 14 -6.938 -6.700 4.969 97 H ASN 15 H ASN 15 -9.591 -5.865 -2.703 98 HA ASN 15 HA ASN 15 -11.365 -7.465 -0.999 99 1HB ASN 15 2HB ASN 15 -11.981 -6.462 -3.770 100 2HB ASN 15 1HB ASN 15 -12.759 -7.894 -3.115 101 1HD2 ASN 15 1HD2 ASN 15 -12.516 -4.442 -2.963 102 2HD2 ASN 15 2HD2 ASN 15 -13.869 -4.189 -1.914 103 H TYR 16 H TYR 16 -11.671 -9.630 -1.741 104 HA TYR 16 HA TYR 16 -9.589 -10.686 -3.521 105 1HB TYR 16 2HB TYR 16 -9.064 -10.733 -0.910 106 2HB TYR 16 1HB TYR 16 -10.164 -12.099 -0.960 107 HD1 TYR 16 HD1 TYR 16 -8.159 -11.695 -3.926 108 HD2 TYR 16 HD2 TYR 16 -8.214 -13.384 -0.035 109 HE1 TYR 16 HE1 TYR 16 -6.290 -13.152 -4.546 110 HE2 TYR 16 HE2 TYR 16 -6.337 -14.850 -0.645 111 HH TYR 16 HH TYR 16 -5.259 -15.769 -2.580 112 H ASP 17 H ASP 17 -10.291 -12.450 -4.645 113 HA ASP 17 HA ASP 17 -12.539 -14.023 -3.938 114 1HB ASP 17 2HB ASP 17 -13.736 -11.961 -4.631 115 2HB ASP 17 1HB ASP 17 -12.955 -12.058 -6.206 116 H GLY 18 H GLY 18 -12.480 -15.938 -5.029 117 1HA GLY 18 2HA GLY 18 -11.322 -17.598 -6.139 118 2HA GLY 18 1HA GLY 18 -11.199 -16.445 -7.471 119 H SER 19 H SER 19 -9.182 -15.764 -7.987 120 HA SER 19 HA SER 19 -7.489 -15.072 -5.717 121 1HB SER 19 2HB SER 19 -6.724 -17.221 -6.825 122 2HB SER 19 1HB SER 19 -6.433 -16.265 -8.275 123 HG SER 19 HG SER 19 -4.677 -15.469 -7.393 124 H THR 20 H THR 20 -8.438 -13.022 -6.103 125 HA THR 20 HA THR 20 -6.843 -11.485 -7.978 126 HB THR 20 HB THR 20 -9.855 -11.210 -7.840 127 HG1 THR 20 HG1 THR 20 -8.342 -12.786 -9.316 128 1HG2 THR 20 1HG2 THR 20 -7.719 -9.572 -9.188 129 2HG2 THR 20 2HG2 THR 20 -8.995 -9.025 -8.102 130 3HG2 THR 20 3HG2 THR 20 -9.397 -9.556 -9.735 131 H PHE 21 H PHE 21 -6.128 -9.622 -7.040 132 HA PHE 21 HA PHE 21 -7.368 -8.871 -4.464 133 1HB PHE 21 2HB PHE 21 -5.095 -10.266 -4.504 134 2HB PHE 21 1HB PHE 21 -4.408 -8.672 -4.790 135 HD1 PHE 21 HD1 PHE 21 -3.951 -7.287 -3.013 136 HD2 PHE 21 HD2 PHE 21 -6.660 -10.513 -2.493 137 HE1 PHE 21 HE1 PHE 21 -4.037 -6.824 -0.598 138 HE2 PHE 21 HE2 PHE 21 -6.738 -10.070 -0.076 139 HZ PHE 21 HZ PHE 21 -5.423 -8.221 0.872 140 H SER 22 H SER 22 -8.219 -7.010 -4.911 141 HA SER 22 HA SER 22 -6.552 -4.920 -6.093 142 1HB SER 22 2HB SER 22 -9.387 -5.502 -7.002 143 2HB SER 22 1HB SER 22 -8.325 -4.223 -7.615 144 HG SER 22 HG SER 22 -7.366 -6.840 -7.694 145 H GLY 23 H GLY 23 -7.174 -2.816 -5.518 146 1HA GLY 23 2HA GLY 23 -9.391 -2.207 -3.881 147 2HA GLY 23 1HA GLY 23 -7.980 -2.512 -2.873 148 H LYS 24 H LYS 24 -7.586 -0.451 -2.168 149 HA LYS 24 HA LYS 24 -6.272 1.259 -4.043 150 1HB LYS 24 2HB LYS 24 -7.795 2.851 -4.427 151 2HB LYS 24 1HB LYS 24 -8.946 1.577 -4.051 152 1HG LYS 24 2HG LYS 24 -8.996 2.360 -1.698 153 2HG LYS 24 1HG LYS 24 -7.971 3.714 -2.173 154 1HD LYS 24 2HD LYS 24 -10.245 4.463 -2.140 155 2HD LYS 24 1HD LYS 24 -9.710 4.376 -3.819 156 1HE LYS 24 2HE LYS 24 -11.985 3.488 -3.496 157 2HE LYS 24 1HE LYS 24 -10.862 2.284 -4.125 158 1HZ LYS 24 1HZ LYS 24 -10.764 1.207 -2.067 159 2HZ LYS 24 2HZ LYS 24 -12.405 1.564 -2.269 160 3HZ LYS 24 3HZ LYS 24 -11.450 2.507 -1.227 161 H ILE 25 H ILE 25 -5.651 3.405 -2.907 162 HA ILE 25 HA ILE 25 -4.927 2.787 -0.122 163 HB ILE 25 HB ILE 25 -2.939 3.672 -2.218 164 1HG1 ILE 25 2HG1 ILE 25 -3.329 0.930 -0.989 165 2HG1 ILE 25 1HG1 ILE 25 -3.738 1.372 -2.643 166 1HG2 ILE 25 1HG2 ILE 25 -2.358 4.374 0.042 167 2HG2 ILE 25 2HG2 ILE 25 -1.263 3.102 -0.502 168 3HG2 ILE 25 3HG2 ILE 25 -2.565 2.722 0.625 169 1HD1 ILE 25 1HD1 ILE 25 -0.977 1.350 -1.454 170 2HD1 ILE 25 2HD1 ILE 25 -1.385 1.791 -3.113 171 3HD1 ILE 25 3HD1 ILE 25 -1.656 0.143 -2.546 172 H TYR 26 H TYR 26 -4.056 4.639 1.039 173 HA TYR 26 HA TYR 26 -5.046 7.247 0.057 174 1HB TYR 26 2HB TYR 26 -6.618 5.887 1.568 175 2HB TYR 26 1HB TYR 26 -5.436 6.135 2.842 176 HD1 TYR 26 HD1 TYR 26 -4.872 8.610 3.402 177 HD2 TYR 26 HD2 TYR 26 -8.344 7.378 1.280 178 HE1 TYR 26 HE1 TYR 26 -6.017 10.684 4.073 179 HE2 TYR 26 HE2 TYR 26 -9.491 9.455 1.927 180 HH TYR 26 HH TYR 26 -7.905 12.110 3.226 181 H VAL 27 H VAL 27 -3.170 8.615 0.102 182 HA VAL 27 HA VAL 27 -1.395 8.277 2.415 183 HB VAL 27 HB VAL 27 0.454 7.611 1.359 184 1HG1 VAL 27 1HG1 VAL 27 0.129 6.257 -0.659 185 2HG1 VAL 27 2HG1 VAL 27 -1.486 6.942 -0.836 186 3HG1 VAL 27 3HG1 VAL 27 -1.098 5.955 0.573 187 1HG2 VAL 27 1HG2 VAL 27 1.012 9.602 0.252 188 2HG2 VAL 27 2HG2 VAL 27 -0.299 9.426 -0.907 189 3HG2 VAL 27 3HG2 VAL 27 1.092 8.346 -0.983 190 H LYS 28 H LYS 28 -0.074 9.959 2.952 191 HA LYS 28 HA LYS 28 -0.876 12.614 2.200 192 1HB LYS 28 2HB LYS 28 -0.304 12.194 4.494 193 2HB LYS 28 1HB LYS 28 1.225 11.465 4.043 194 1HG LYS 28 2HG LYS 28 1.821 13.535 4.891 195 2HG LYS 28 1HG LYS 28 1.849 13.781 3.146 196 1HD LYS 28 2HD LYS 28 -0.235 14.926 3.191 197 2HD LYS 28 1HD LYS 28 -0.524 14.460 4.871 198 1HE LYS 28 2HE LYS 28 1.464 15.783 5.532 199 2HE LYS 28 1HE LYS 28 1.637 16.309 3.859 200 1HZ LYS 28 1HZ LYS 28 0.500 17.959 5.203 201 2HZ LYS 28 2HZ LYS 28 -0.711 16.844 5.606 202 3HZ LYS 28 3HZ LYS 28 -0.531 17.357 3.999 203 H ASN 29 H ASN 29 0.259 14.043 0.933 204 HA ASN 29 HA ASN 29 2.389 12.949 -0.706 205 1HB ASN 29 2HB ASN 29 0.774 15.491 -0.810 206 2HB ASN 29 1HB ASN 29 2.211 15.273 -1.814 207 1HD2 ASN 29 1HD2 ASN 29 0.914 15.402 -3.677 208 2HD2 ASN 29 2HD2 ASN 29 -0.077 14.075 -4.186 209 H ILE 30 H ILE 30 4.218 12.834 0.541 210 HA ILE 30 HA ILE 30 5.144 15.050 2.135 211 HB ILE 30 HB ILE 30 6.942 12.862 1.124 212 1HG1 ILE 30 2HG1 ILE 30 5.025 11.631 1.900 213 2HG1 ILE 30 1HG1 ILE 30 6.298 11.492 3.103 214 1HG2 ILE 30 1HG2 ILE 30 7.923 14.701 2.392 215 2HG2 ILE 30 2HG2 ILE 30 8.058 13.171 3.258 216 3HG2 ILE 30 3HG2 ILE 30 6.839 14.351 3.740 217 1HD1 ILE 30 1HD1 ILE 30 4.035 11.797 4.028 218 2HD1 ILE 30 2HD1 ILE 30 3.991 13.404 3.300 219 3HD1 ILE 30 3HD1 ILE 30 5.186 13.032 4.545 220 H ALA 31 H ALA 31 6.271 13.437 -0.780 221 HA ALA 31 HA ALA 31 7.300 15.974 -1.792 222 1HB ALA 31 1HB ALA 31 8.994 14.199 -1.615 223 2HB ALA 31 2HB ALA 31 8.695 14.650 -3.293 224 3HB ALA 31 3HB ALA 31 8.003 13.163 -2.644 225 H TYR 32 H TYR 32 7.316 14.967 -4.531 226 HA TYR 32 HA TYR 32 4.403 15.022 -4.938 227 1HB TYR 32 2HB TYR 32 5.841 17.002 -5.590 228 2HB TYR 32 1HB TYR 32 6.469 15.994 -6.894 229 HD1 TYR 32 HD1 TYR 32 3.056 16.527 -5.489 230 HD2 TYR 32 HD2 TYR 32 5.565 16.664 -8.918 231 HE1 TYR 32 HE1 TYR 32 1.127 17.173 -6.864 232 HE2 TYR 32 HE2 TYR 32 3.640 17.307 -10.305 233 HH TYR 32 HH TYR 32 1.191 17.135 -10.259 234 H SER 33 H SER 33 7.357 14.042 -6.691 235 HA SER 33 HA SER 33 5.973 11.937 -8.063 236 1HB SER 33 2HB SER 33 8.963 12.376 -7.796 237 2HB SER 33 1HB SER 33 8.129 11.433 -9.045 238 HG SER 33 HG SER 33 7.066 13.462 -9.624 239 H LYS 34 H LYS 34 5.107 10.635 -6.457 240 HA LYS 34 HA LYS 34 6.938 9.465 -4.491 241 1HB LYS 34 2HB LYS 34 3.920 9.469 -4.528 242 2HB LYS 34 1HB LYS 34 4.959 9.037 -3.181 243 1HG LYS 34 2HG LYS 34 5.674 11.295 -2.923 244 2HG LYS 34 1HG LYS 34 4.881 11.758 -4.427 245 1HD LYS 34 2HD LYS 34 3.520 10.821 -1.910 246 2HD LYS 34 1HD LYS 34 3.573 12.475 -2.517 247 1HE LYS 34 2HE LYS 34 2.339 10.148 -3.984 248 2HE LYS 34 1HE LYS 34 1.439 11.300 -3.002 249 1HZ LYS 34 1HZ LYS 34 3.059 12.049 -5.384 250 2HZ LYS 34 2HZ LYS 34 2.024 13.053 -4.497 251 3HZ LYS 34 3HZ LYS 34 1.383 11.780 -5.409 252 H LYS 35 H LYS 35 6.724 7.174 -4.019 253 HA LYS 35 HA LYS 35 5.510 5.628 -6.217 254 1HB LYS 35 2HB LYS 35 8.036 4.949 -4.703 255 2HB LYS 35 1HB LYS 35 7.254 3.910 -5.883 256 1HG LYS 35 2HG LYS 35 7.612 5.751 -7.565 257 2HG LYS 35 1HG LYS 35 8.632 6.533 -6.352 258 1HD LYS 35 2HD LYS 35 9.898 4.326 -6.230 259 2HD LYS 35 1HD LYS 35 9.034 3.877 -7.702 260 1HE LYS 35 2HE LYS 35 11.216 4.786 -8.246 261 2HE LYS 35 1HE LYS 35 9.941 5.859 -8.824 262 1HZ LYS 35 1HZ LYS 35 11.306 6.267 -6.224 263 2HZ LYS 35 2HZ LYS 35 10.343 7.368 -7.087 264 3HZ LYS 35 3HZ LYS 35 11.875 6.948 -7.670 265 H VAL 36 H VAL 36 4.259 3.925 -5.647 266 HA VAL 36 HA VAL 36 4.151 3.245 -2.794 267 HB VAL 36 HB VAL 36 1.795 3.710 -4.630 268 1HG1 VAL 36 1HG1 VAL 36 0.372 2.868 -2.968 269 2HG1 VAL 36 2HG1 VAL 36 1.666 2.801 -1.800 270 3HG1 VAL 36 3HG1 VAL 36 1.635 1.650 -3.131 271 1HG2 VAL 36 1HG2 VAL 36 2.849 5.645 -3.499 272 2HG2 VAL 36 2HG2 VAL 36 2.480 4.898 -1.952 273 3HG2 VAL 36 3HG2 VAL 36 1.174 5.381 -3.038 274 H THR 37 H THR 37 4.622 1.238 -2.485 275 HA THR 37 HA THR 37 4.265 -0.620 -4.726 276 HB THR 37 HB THR 37 6.363 -1.713 -3.981 277 HG1 THR 37 HG1 THR 37 7.717 -0.394 -2.560 278 1HG2 THR 37 1HG2 THR 37 6.118 0.327 -5.642 279 2HG2 THR 37 2HG2 THR 37 7.704 -0.306 -5.200 280 3HG2 THR 37 3HG2 THR 37 7.081 1.143 -4.409 281 H VAL 38 H VAL 38 2.936 -2.228 -4.293 282 HA VAL 38 HA VAL 38 2.304 -2.925 -1.541 283 HB VAL 38 HB VAL 38 1.196 -3.960 -4.155 284 1HG1 VAL 38 1HG1 VAL 38 -0.424 -5.205 -2.866 285 2HG1 VAL 38 2HG1 VAL 38 0.253 -4.606 -1.357 286 3HG1 VAL 38 3HG1 VAL 38 1.195 -5.695 -2.374 287 1HG2 VAL 38 1HG2 VAL 38 -0.588 -2.718 -2.255 288 2HG2 VAL 38 2HG2 VAL 38 -0.412 -2.421 -3.982 289 3HG2 VAL 38 3HG2 VAL 38 0.660 -1.618 -2.830 290 H VAL 39 H VAL 39 3.715 -4.211 -0.578 291 HA VAL 39 HA VAL 39 4.704 -6.540 -2.071 292 HB VAL 39 HB VAL 39 5.783 -6.929 0.441 293 1HG1 VAL 39 1HG1 VAL 39 6.922 -5.260 -1.830 294 2HG1 VAL 39 2HG1 VAL 39 6.999 -7.015 -1.675 295 3HG1 VAL 39 3HG1 VAL 39 7.859 -5.990 -0.527 296 1HG2 VAL 39 1HG2 VAL 39 6.650 -4.763 1.195 297 2HG2 VAL 39 2HG2 VAL 39 4.890 -4.806 1.268 298 3HG2 VAL 39 3HG2 VAL 39 5.696 -3.934 -0.035 299 H TYR 40 H TYR 40 3.438 -8.319 -1.995 300 HA TYR 40 HA TYR 40 2.226 -8.800 0.633 301 1HB TYR 40 2HB TYR 40 0.328 -9.863 -0.274 302 2HB TYR 40 1HB TYR 40 0.525 -8.407 -1.231 303 HD1 TYR 40 HD1 TYR 40 0.564 -8.548 -3.504 304 HD2 TYR 40 HD2 TYR 40 1.213 -12.090 -1.304 305 HE1 TYR 40 HE1 TYR 40 0.392 -9.836 -5.587 306 HE2 TYR 40 HE2 TYR 40 1.053 -13.417 -3.371 307 HH TYR 40 HH TYR 40 1.141 -12.034 -6.463 308 H ALA 41 H ALA 41 2.311 -10.627 1.542 309 HA ALA 41 HA ALA 41 4.622 -12.150 0.811 310 1HB ALA 41 1HB ALA 41 4.532 -13.066 2.929 311 2HB ALA 41 2HB ALA 41 2.806 -12.736 3.118 312 3HB ALA 41 3HB ALA 41 3.969 -11.416 3.159 313 H ASP 42 H ASP 42 4.076 -12.841 -0.918 314 HA ASP 42 HA ASP 42 2.111 -14.252 -2.090 315 1HB ASP 42 2HB ASP 42 4.293 -13.558 -3.076 316 2HB ASP 42 1HB ASP 42 5.062 -14.900 -2.253 317 H GLY 43 H GLY 43 2.727 -16.774 -2.821 318 1HA GLY 43 2HA GLY 43 1.773 -18.410 -0.738 319 2HA GLY 43 1HA GLY 43 2.490 -18.987 -2.235 320 H SER 44 H SER 44 4.897 -17.218 -1.244 321 HA SER 44 HA SER 44 6.358 -19.320 0.051 322 1HB SER 44 2HB SER 44 7.357 -17.620 -1.507 323 2HB SER 44 1HB SER 44 7.080 -16.403 -0.259 324 HG SER 44 HG SER 44 8.392 -17.835 1.129 325 H ASP 45 H ASP 45 4.287 -16.854 1.027 326 HA ASP 45 HA ASP 45 3.348 -16.365 3.032 327 1HB ASP 45 2HB ASP 45 5.355 -18.277 4.250 328 2HB ASP 45 1HB ASP 45 4.012 -17.526 5.102 329 H ASN 46 H ASN 46 6.020 -15.304 1.873 330 HA ASN 46 HA ASN 46 6.354 -13.186 3.727 331 1HB ASN 46 2HB ASN 46 8.703 -13.642 4.305 332 2HB ASN 46 1HB ASN 46 7.600 -14.803 5.026 333 1HD2 ASN 46 1HD2 ASN 46 9.186 -16.341 5.295 334 2HD2 ASN 46 2HD2 ASN 46 9.901 -17.202 3.973 335 H TRP 47 H TRP 47 8.423 -11.868 3.087 336 HA TRP 47 HA TRP 47 8.822 -12.115 0.249 337 1HB TRP 47 2HB TRP 47 9.437 -9.821 2.071 338 2HB TRP 47 1HB TRP 47 9.801 -9.855 0.340 339 HD1 TRP 47 HD1 TRP 47 7.689 -9.924 -1.304 340 HE1 TRP 47 HE1 TRP 47 5.249 -9.183 -0.979 341 HE3 TRP 47 HE3 TRP 47 7.654 -9.678 3.661 342 HZ2 TRP 47 HZ2 TRP 47 3.554 -8.650 1.251 343 HZ3 TRP 47 HZ3 TRP 47 5.697 -9.103 4.802 344 HH2 TRP 47 HH2 TRP 47 3.654 -8.608 3.660 345 H ASN 48 H ASN 48 10.454 -13.495 -0.163 346 HA ASN 48 HA ASN 48 12.888 -13.505 1.362 347 1HB ASN 48 2HB ASN 48 12.343 -14.600 -1.416 348 2HB ASN 48 1HB ASN 48 13.743 -14.973 -0.415 349 1HD2 ASN 48 1HD2 ASN 48 10.353 -15.482 -0.926 350 2HD2 ASN 48 2HD2 ASN 48 10.177 -16.819 0.185 351 H ASN 49 H ASN 49 14.863 -13.383 -0.622 352 HA ASN 49 HA ASN 49 14.954 -10.588 -1.256 353 1HB ASN 49 2HB ASN 49 17.065 -11.258 -2.514 354 2HB ASN 49 1HB ASN 49 17.051 -11.592 -0.784 355 1HD2 ASN 49 1HD2 ASN 49 17.393 -12.893 -3.910 356 2HD2 ASN 49 2HD2 ASN 49 17.566 -14.557 -3.443 357 H ASN 50 H ASN 50 12.713 -11.018 -2.315 358 HA ASN 50 HA ASN 50 13.126 -11.523 -5.196 359 1HB ASN 50 2HB ASN 50 11.989 -13.454 -4.040 360 2HB ASN 50 1HB ASN 50 10.665 -12.354 -3.620 361 1HD2 ASN 50 1HD2 ASN 50 9.107 -13.367 -4.807 362 2HD2 ASN 50 2HD2 ASN 50 9.117 -13.433 -6.553 363 H GLY 51 H GLY 51 10.901 -10.176 -2.763 364 1HA GLY 51 2HA GLY 51 9.861 -8.108 -2.739 365 2HA GLY 51 1HA GLY 51 10.685 -7.716 -4.245 366 H ASN 52 H ASN 52 8.040 -9.633 -2.905 367 HA ASN 52 HA ASN 52 6.718 -9.966 -5.440 368 1HB ASN 52 2HB ASN 52 5.348 -10.258 -2.777 369 2HB ASN 52 1HB ASN 52 5.075 -11.162 -4.259 370 1HD2 ASN 52 1HD2 ASN 52 5.707 -11.863 -1.417 371 2HD2 ASN 52 2HD2 ASN 52 7.013 -12.993 -1.525 372 H ILE 53 H ILE 53 6.563 -7.725 -6.118 373 HA ILE 53 HA ILE 53 4.768 -6.109 -4.443 374 HB ILE 53 HB ILE 53 6.958 -5.216 -4.244 375 1HG1 ILE 53 2HG1 ILE 53 4.861 -3.684 -4.886 376 2HG1 ILE 53 1HG1 ILE 53 6.454 -3.019 -4.545 377 1HG2 ILE 53 1HG2 ILE 53 8.098 -4.302 -6.363 378 2HG2 ILE 53 2HG2 ILE 53 7.064 -5.447 -7.219 379 3HG2 ILE 53 3HG2 ILE 53 8.211 -6.028 -6.010 380 1HD1 ILE 53 1HD1 ILE 53 5.270 -3.540 -7.265 381 2HD1 ILE 53 2HD1 ILE 53 6.908 -2.959 -6.970 382 3HD1 ILE 53 3HD1 ILE 53 5.525 -1.970 -6.503 383 H ILE 54 H ILE 54 3.115 -5.122 -5.308 384 HA ILE 54 HA ILE 54 2.910 -4.972 -8.246 385 HB ILE 54 HB ILE 54 1.069 -6.246 -6.914 386 1HG1 ILE 54 2HG1 ILE 54 -0.710 -5.329 -8.423 387 2HG1 ILE 54 1HG1 ILE 54 0.407 -4.045 -8.876 388 1HG2 ILE 54 1HG2 ILE 54 0.103 -3.445 -6.399 389 2HG2 ILE 54 2HG2 ILE 54 0.764 -4.532 -5.179 390 3HG2 ILE 54 3HG2 ILE 54 -0.732 -4.950 -6.012 391 1HD1 ILE 54 1HD1 ILE 54 0.862 -6.990 -9.298 392 2HD1 ILE 54 2HD1 ILE 54 1.945 -5.688 -9.789 393 3HD1 ILE 54 3HD1 ILE 54 0.351 -5.837 -10.530 394 H ALA 55 H ALA 55 2.761 -2.943 -9.146 395 HA ALA 55 HA ALA 55 3.293 -0.762 -7.312 396 1HB ALA 55 1HB ALA 55 4.600 -1.041 -9.405 397 2HB ALA 55 2HB ALA 55 3.852 0.551 -9.234 398 3HB ALA 55 3HB ALA 55 3.141 -0.650 -10.321 399 H ALA 56 H ALA 56 1.842 0.650 -6.621 400 HA ALA 56 HA ALA 56 -0.893 0.477 -7.548 401 1HB ALA 56 1HB ALA 56 -1.399 2.022 -5.746 402 2HB ALA 56 2HB ALA 56 0.317 2.303 -5.476 403 3HB ALA 56 3HB ALA 56 -0.376 0.716 -5.150 404 H SER 57 H SER 57 -2.111 2.398 -8.177 405 HA SER 57 HA SER 57 -0.457 4.456 -9.453 406 1HB SER 57 2HB SER 57 -1.333 2.707 -11.088 407 2HB SER 57 1HB SER 57 -2.952 3.293 -10.701 408 HG SER 57 HG SER 57 -0.836 4.620 -12.012 409 H PHE 58 H PHE 58 -1.177 6.483 -9.090 410 HA PHE 58 HA PHE 58 -3.305 6.821 -7.264 411 1HB PHE 58 2HB PHE 58 -2.719 9.113 -7.139 412 2HB PHE 58 1HB PHE 58 -1.222 8.187 -7.179 413 HD1 PHE 58 HD1 PHE 58 -3.454 10.363 -9.052 414 HD2 PHE 58 HD2 PHE 58 0.311 8.400 -9.014 415 HE1 PHE 58 HE1 PHE 58 -2.753 11.691 -10.953 416 HE2 PHE 58 HE2 PHE 58 1.037 9.753 -10.942 417 HZ PHE 58 HZ PHE 58 -0.503 11.410 -11.918 418 H SER 59 H SER 59 -5.250 7.716 -7.537 419 HA SER 59 HA SER 59 -6.250 7.732 -10.280 420 1HB SER 59 2HB SER 59 -7.397 6.435 -8.413 421 2HB SER 59 1HB SER 59 -7.846 7.992 -7.719 422 HG SER 59 HG SER 59 -9.004 6.626 -9.732 423 H GLY 60 H GLY 60 -5.588 9.812 -7.547 424 1HA GLY 60 2HA GLY 60 -5.119 12.070 -8.989 425 2HA GLY 60 1HA GLY 60 -6.858 12.114 -8.726 426 HA PRO 61 HA PRO 61 -4.606 13.812 -4.918 427 1HB PRO 61 2HB PRO 61 -5.725 16.395 -5.770 428 2HB PRO 61 1HB PRO 61 -4.082 16.006 -5.250 429 1HG PRO 61 2HG PRO 61 -4.655 16.597 -7.809 430 2HG PRO 61 1HG PRO 61 -3.409 15.411 -7.378 431 1HD PRO 61 2HD PRO 61 -6.226 14.953 -8.300 432 2HD PRO 61 1HD PRO 61 -4.735 14.104 -8.767 433 H ILE 62 H ILE 62 -5.795 14.101 -3.050 434 HA ILE 62 HA ILE 62 -8.629 13.615 -3.308 435 HB ILE 62 HB ILE 62 -7.059 14.053 -0.762 436 1HG1 ILE 62 2HG1 ILE 62 -7.653 11.509 -2.287 437 2HG1 ILE 62 1HG1 ILE 62 -6.067 12.202 -1.973 438 1HG2 ILE 62 1HG2 ILE 62 -8.937 12.574 0.124 439 2HG2 ILE 62 2HG2 ILE 62 -9.787 12.960 -1.375 440 3HG2 ILE 62 3HG2 ILE 62 -9.337 14.251 -0.257 441 1HD1 ILE 62 1HD1 ILE 62 -6.683 11.890 0.512 442 2HD1 ILE 62 2HD1 ILE 62 -6.195 10.496 -0.443 443 3HD1 ILE 62 3HD1 ILE 62 -7.905 10.776 -0.106 444 H SER 63 H SER 63 -9.954 15.193 -3.691 445 HA SER 63 HA SER 63 -9.255 17.915 -3.467 446 1HB SER 63 2HB SER 63 -11.815 18.138 -3.988 447 2HB SER 63 1HB SER 63 -10.716 17.493 -5.206 448 HG SER 63 HG SER 63 -12.842 16.318 -4.115 449 H GLY 64 H GLY 64 -9.362 19.239 -1.813 450 1HA GLY 64 2HA GLY 64 -10.663 20.230 -0.011 451 2HA GLY 64 1HA GLY 64 -11.242 18.616 0.384 452 H SER 65 H SER 65 -8.155 18.173 -0.423 453 HA SER 65 HA SER 65 -6.876 19.016 2.036 454 1HB SER 65 2HB SER 65 -7.183 16.078 1.333 455 2HB SER 65 1HB SER 65 -6.210 16.718 2.657 456 HG SER 65 HG SER 65 -8.774 17.631 2.724 457 H ASN 66 H ASN 66 -4.520 17.949 1.973 458 HA ASN 66 HA ASN 66 -3.591 18.144 -0.816 459 1HB ASN 66 2HB ASN 66 -1.326 18.596 0.185 460 2HB ASN 66 1HB ASN 66 -2.532 19.837 0.497 461 1HD2 ASN 66 1HD2 ASN 66 -3.189 20.225 2.572 462 2HD2 ASN 66 2HD2 ASN 66 -2.445 19.500 3.952 463 H TYR 67 H TYR 67 -4.772 15.837 0.110 464 HA TYR 67 HA TYR 67 -2.567 13.929 0.410 465 1HB TYR 67 2HB TYR 67 -5.391 13.964 1.221 466 2HB TYR 67 1HB TYR 67 -4.876 12.447 0.499 467 HD1 TYR 67 HD1 TYR 67 -3.354 14.890 2.888 468 HD2 TYR 67 HD2 TYR 67 -4.359 10.857 2.041 469 HE1 TYR 67 HE1 TYR 67 -2.363 14.202 5.033 470 HE2 TYR 67 HE2 TYR 67 -3.370 10.150 4.175 471 HH TYR 67 HH TYR 67 -1.723 10.938 5.777 472 H GLU 68 H GLU 68 -2.875 11.867 -0.845 473 HA GLU 68 HA GLU 68 -4.082 12.416 -3.469 474 1HB GLU 68 2HB GLU 68 -1.493 12.387 -3.255 475 2HB GLU 68 1HB GLU 68 -1.676 10.650 -3.141 476 1HG GLU 68 2HG GLU 68 -2.417 10.470 -5.325 477 2HG GLU 68 1HG GLU 68 -2.872 12.172 -5.417 478 H TYR 69 H TYR 69 -4.323 10.137 -4.663 479 HA TYR 69 HA TYR 69 -5.806 8.484 -2.770 480 1HB TYR 69 2HB TYR 69 -7.181 10.507 -3.661 481 2HB TYR 69 1HB TYR 69 -7.186 9.634 -5.190 482 HD1 TYR 69 HD1 TYR 69 -7.292 7.949 -1.945 483 HD2 TYR 69 HD2 TYR 69 -9.574 9.317 -5.255 484 HE1 TYR 69 HE1 TYR 69 -9.228 6.685 -1.118 485 HE2 TYR 69 HE2 TYR 69 -11.518 8.037 -4.457 486 HH TYR 69 HH TYR 69 -12.019 6.153 -3.036 487 H TRP 70 H TRP 70 -5.267 6.484 -3.285 488 HA TRP 70 HA TRP 70 -4.211 6.068 -5.993 489 1HB TRP 70 2HB TRP 70 -3.471 4.597 -3.464 490 2HB TRP 70 1HB TRP 70 -2.612 4.588 -5.004 491 HD1 TRP 70 HD1 TRP 70 -3.571 7.281 -2.375 492 HE1 TRP 70 HE1 TRP 70 -1.588 8.871 -2.207 493 HE3 TRP 70 HE3 TRP 70 -0.612 5.298 -5.762 494 HZ2 TRP 70 HZ2 TRP 70 0.937 9.245 -3.304 495 HZ3 TRP 70 HZ3 TRP 70 1.641 6.202 -6.191 496 HH2 TRP 70 HH2 TRP 70 2.379 8.198 -4.980 497 H THR 71 H THR 71 -4.738 4.219 -7.077 498 HA THR 71 HA THR 71 -6.558 2.331 -5.754 499 HB THR 71 HB THR 71 -7.662 2.145 -8.091 500 HG1 THR 71 HG1 THR 71 -6.019 3.633 -9.009 501 1HG2 THR 71 1HG2 THR 71 -8.089 4.459 -6.216 502 2HG2 THR 71 2HG2 THR 71 -8.967 2.930 -6.277 503 3HG2 THR 71 3HG2 THR 71 -9.173 4.119 -7.566 504 H PHE 72 H PHE 72 -5.980 0.208 -6.118 505 HA PHE 72 HA PHE 72 -4.124 -0.181 -8.318 506 1HB PHE 72 2HB PHE 72 -2.531 -1.393 -7.087 507 2HB PHE 72 1HB PHE 72 -2.900 0.009 -6.090 508 HD1 PHE 72 HD1 PHE 72 -4.570 -0.299 -4.233 509 HD2 PHE 72 HD2 PHE 72 -2.723 -3.550 -6.219 510 HE1 PHE 72 HE1 PHE 72 -5.107 -1.752 -2.314 511 HE2 PHE 72 HE2 PHE 72 -3.252 -5.027 -4.320 512 HZ PHE 72 HZ PHE 72 -4.445 -4.126 -2.362 513 H SER 73 H SER 73 -3.997 -2.212 -9.180 514 HA SER 73 HA SER 73 -6.034 -4.145 -8.339 515 1HB SER 73 2HB SER 73 -5.434 -3.447 -11.225 516 2HB SER 73 1HB SER 73 -6.629 -4.607 -10.643 517 HG SER 73 HG SER 73 -7.036 -2.092 -11.158 518 H ALA 74 H ALA 74 -5.413 -6.273 -8.545 519 HA ALA 74 HA ALA 74 -2.812 -6.880 -9.686 520 1HB ALA 74 1HB ALA 74 -2.120 -7.942 -7.460 521 2HB ALA 74 2HB ALA 74 -3.393 -6.960 -6.738 522 3HB ALA 74 3HB ALA 74 -2.049 -6.184 -7.574 523 H SER 75 H SER 75 -3.354 -8.586 -10.922 524 HA SER 75 HA SER 75 -5.119 -10.656 -9.983 525 1HB SER 75 2HB SER 75 -4.728 -10.111 -12.430 526 2HB SER 75 1HB SER 75 -3.111 -10.789 -12.256 527 HG SER 75 HG SER 75 -5.534 -12.045 -12.507 528 H VAL 76 H VAL 76 -4.413 -11.655 -8.176 529 HA VAL 76 HA VAL 76 -1.533 -11.950 -7.838 530 HB VAL 76 HB VAL 76 -1.991 -12.341 -5.468 531 1HG1 VAL 76 1HG1 VAL 76 -2.989 -10.094 -4.962 532 2HG1 VAL 76 2HG1 VAL 76 -3.324 -9.939 -6.681 533 3HG1 VAL 76 3HG1 VAL 76 -1.657 -10.068 -6.123 534 1HG2 VAL 76 1HG2 VAL 76 -4.211 -12.123 -4.552 535 2HG2 VAL 76 2HG2 VAL 76 -4.167 -13.449 -5.712 536 3HG2 VAL 76 3HG2 VAL 76 -4.891 -11.909 -6.166 537 H LYS 77 H LYS 77 -0.684 -13.854 -6.878 538 HA LYS 77 HA LYS 77 -1.783 -16.214 -8.207 539 1HB LYS 77 2HB LYS 77 0.509 -17.138 -7.834 540 2HB LYS 77 1HB LYS 77 0.494 -15.657 -8.782 541 1HG LYS 77 2HG LYS 77 0.986 -14.431 -6.620 542 2HG LYS 77 1HG LYS 77 1.288 -16.010 -5.912 543 1HD LYS 77 2HD LYS 77 2.686 -15.011 -8.371 544 2HD LYS 77 1HD LYS 77 3.295 -14.737 -6.738 545 1HE LYS 77 2HE LYS 77 2.924 -17.364 -6.579 546 2HE LYS 77 1HE LYS 77 3.164 -17.242 -8.324 547 1HZ LYS 77 1HZ LYS 77 5.012 -16.329 -6.192 548 2HZ LYS 77 2HZ LYS 77 5.229 -15.989 -7.842 549 3HZ LYS 77 3HZ LYS 77 5.269 -17.595 -7.294 550 H GLY 78 H GLY 78 -1.432 -14.867 -5.103 551 1HA GLY 78 2HA GLY 78 -2.958 -16.500 -3.645 552 2HA GLY 78 1HA GLY 78 -1.456 -17.414 -3.709 553 H ILE 79 H ILE 79 -2.940 -14.418 -2.639 554 HA ILE 79 HA ILE 79 -0.541 -13.713 -1.153 555 HB ILE 79 HB ILE 79 -1.460 -11.844 -2.191 556 1HG1 ILE 79 2HG1 ILE 79 -2.425 -11.742 0.667 557 2HG1 ILE 79 1HG1 ILE 79 -0.786 -11.408 0.123 558 1HG2 ILE 79 1HG2 ILE 79 -3.845 -11.138 -1.783 559 2HG2 ILE 79 2HG2 ILE 79 -4.119 -12.754 -1.155 560 3HG2 ILE 79 3HG2 ILE 79 -3.610 -12.533 -2.829 561 1HD1 ILE 79 1HD1 ILE 79 -3.184 -9.833 -0.754 562 2HD1 ILE 79 2HD1 ILE 79 -1.490 -9.456 -1.035 563 3HD1 ILE 79 3HD1 ILE 79 -2.147 -9.392 0.598 564 H LYS 80 H LYS 80 -0.284 -13.889 0.922 565 HA LYS 80 HA LYS 80 -2.514 -14.991 2.506 566 1HB LYS 80 2HB LYS 80 0.445 -15.393 2.989 567 2HB LYS 80 1HB LYS 80 -0.876 -16.175 3.845 568 1HG LYS 80 2HG LYS 80 -0.161 -16.553 0.947 569 2HG LYS 80 1HG LYS 80 0.119 -17.700 2.258 570 1HD LYS 80 2HD LYS 80 -2.221 -18.045 2.559 571 2HD LYS 80 1HD LYS 80 -2.618 -16.704 1.484 572 1HE LYS 80 2HE LYS 80 -1.631 -17.931 -0.394 573 2HE LYS 80 1HE LYS 80 -1.255 -19.274 0.684 574 1HZ LYS 80 1HZ LYS 80 -4.016 -18.272 0.243 575 2HZ LYS 80 2HZ LYS 80 -3.545 -19.714 0.998 576 3HZ LYS 80 3HZ LYS 80 -3.322 -19.524 -0.668 577 H GLU 81 H GLU 81 0.219 -12.797 2.472 578 HA GLU 81 HA GLU 81 -0.952 -11.261 4.685 579 1HB GLU 81 2HB GLU 81 2.008 -11.896 4.627 580 2HB GLU 81 1HB GLU 81 1.101 -11.117 5.912 581 1HG GLU 81 2HG GLU 81 0.744 -13.987 5.096 582 2HG GLU 81 1HG GLU 81 1.808 -13.451 6.395 583 H PHE 82 H PHE 82 0.197 -8.985 4.758 584 HA PHE 82 HA PHE 82 2.010 -8.380 2.667 585 1HB PHE 82 2HB PHE 82 0.718 -7.158 1.110 586 2HB PHE 82 1HB PHE 82 -0.113 -8.688 1.338 587 HD1 PHE 82 HD1 PHE 82 -0.246 -5.101 1.791 588 HD2 PHE 82 HD2 PHE 82 -2.265 -8.774 2.490 589 HE1 PHE 82 HE1 PHE 82 -2.325 -3.863 2.243 590 HE2 PHE 82 HE2 PHE 82 -4.344 -7.547 2.950 591 HZ PHE 82 HZ PHE 82 -4.375 -5.089 2.826 592 H TYR 83 H TYR 83 2.363 -6.031 2.403 593 HA TYR 83 HA TYR 83 0.959 -4.199 4.037 594 1HB TYR 83 2HB TYR 83 2.988 -3.321 5.242 595 2HB TYR 83 1HB TYR 83 2.319 -4.821 5.848 596 HD1 TYR 83 HD1 TYR 83 4.857 -3.966 3.210 597 HD2 TYR 83 HD2 TYR 83 3.925 -6.161 6.726 598 HE1 TYR 83 HE1 TYR 83 7.123 -4.927 3.205 599 HE2 TYR 83 HE2 TYR 83 6.179 -7.140 6.726 600 HH TYR 83 HH TYR 83 8.039 -7.502 5.406 601 H ILE 84 H ILE 84 1.496 -1.982 3.505 602 HA ILE 84 HA ILE 84 2.583 -1.947 0.780 603 HB ILE 84 HB ILE 84 0.999 0.296 1.998 604 1HG1 ILE 84 2HG1 ILE 84 -0.397 -1.687 2.280 605 2HG1 ILE 84 1HG1 ILE 84 -1.035 -0.687 0.978 606 1HG2 ILE 84 1HG2 ILE 84 0.392 0.611 -0.415 607 2HG2 ILE 84 2HG2 ILE 84 1.569 -0.651 -0.801 608 3HG2 ILE 84 3HG2 ILE 84 2.096 0.851 -0.037 609 1HD1 ILE 84 1HD1 ILE 84 0.582 -3.204 0.668 610 2HD1 ILE 84 2HD1 ILE 84 0.019 -2.182 -0.657 611 3HD1 ILE 84 3HD1 ILE 84 -1.146 -3.015 0.376 612 H LYS 85 H LYS 85 4.223 -0.586 0.180 613 HA LYS 85 HA LYS 85 5.598 0.766 2.361 614 1HB LYS 85 2HB LYS 85 6.621 -0.044 -0.359 615 2HB LYS 85 1HB LYS 85 7.573 0.640 0.951 616 1HG LYS 85 2HG LYS 85 7.035 -1.352 2.315 617 2HG LYS 85 1HG LYS 85 6.218 -2.044 0.908 618 1HD LYS 85 2HD LYS 85 8.238 -2.023 -0.357 619 2HD LYS 85 1HD LYS 85 9.061 -1.116 0.904 620 1HE LYS 85 2HE LYS 85 8.714 -3.058 2.432 621 2HE LYS 85 1HE LYS 85 8.061 -3.955 1.063 622 1HZ LYS 85 1HZ LYS 85 10.301 -4.574 1.206 623 2HZ LYS 85 2HZ LYS 85 10.825 -2.986 1.474 624 3HZ LYS 85 3HZ LYS 85 10.266 -3.440 -0.061 625 H TYR 86 H TYR 86 6.442 2.784 2.018 626 HA TYR 86 HA TYR 86 5.159 4.357 -0.113 627 1HB TYR 86 2HB TYR 86 4.093 4.780 2.066 628 2HB TYR 86 1HB TYR 86 5.657 5.188 2.756 629 HD1 TYR 86 HD1 TYR 86 4.005 6.200 -0.431 630 HD2 TYR 86 HD2 TYR 86 5.666 7.431 3.274 631 HE1 TYR 86 HE1 TYR 86 3.658 8.535 -1.060 632 HE2 TYR 86 HE2 TYR 86 5.325 9.782 2.644 633 HH TYR 86 HH TYR 86 3.339 10.792 0.312 634 H GLU 87 H GLU 87 6.751 4.878 -1.493 635 HA GLU 87 HA GLU 87 9.406 5.431 -0.383 636 1HB GLU 87 2HB GLU 87 9.209 3.612 -2.113 637 2HB GLU 87 1HB GLU 87 8.736 4.849 -3.273 638 1HG GLU 87 2HG GLU 87 11.168 5.528 -1.854 639 2HG GLU 87 1HG GLU 87 11.303 4.006 -2.724 640 H VAL 88 H VAL 88 10.213 7.366 -0.454 641 HA VAL 88 HA VAL 88 8.958 9.392 -2.174 642 HB VAL 88 HB VAL 88 10.051 9.911 0.595 643 1HG1 VAL 88 1HG1 VAL 88 8.799 11.983 0.430 644 2HG1 VAL 88 2HG1 VAL 88 8.205 11.513 -1.163 645 3HG1 VAL 88 3HG1 VAL 88 9.923 11.832 -0.918 646 1HG2 VAL 88 1HG2 VAL 88 7.201 9.367 -0.210 647 2HG2 VAL 88 2HG2 VAL 88 7.703 9.960 1.365 648 3HG2 VAL 88 3HG2 VAL 88 8.208 8.362 0.828 649 H SER 89 H SER 89 10.439 11.179 -2.687 650 HA SER 89 HA SER 89 12.917 10.176 -3.581 651 1HB SER 89 2HB SER 89 12.082 13.071 -3.456 652 2HB SER 89 1HB SER 89 13.257 12.332 -4.545 653 HG SER 89 HG SER 89 11.036 10.962 -4.847 654 H GLY 90 H GLY 90 12.081 11.181 -0.553 655 1HA GLY 90 2HA GLY 90 14.916 11.552 0.117 656 2HA GLY 90 1HA GLY 90 13.710 12.640 0.780 657 H LYS 91 H LYS 91 11.773 10.324 0.990 658 HA LYS 91 HA LYS 91 12.974 9.080 3.356 659 1HB LYS 91 2HB LYS 91 10.569 10.773 3.186 660 2HB LYS 91 1HB LYS 91 10.411 9.318 4.150 661 1HG LYS 91 2HG LYS 91 12.714 11.156 4.545 662 2HG LYS 91 1HG LYS 91 11.152 11.487 5.295 663 1HD LYS 91 2HD LYS 91 11.217 9.273 6.352 664 2HD LYS 91 1HD LYS 91 12.790 8.970 5.610 665 1HE LYS 91 2HE LYS 91 13.727 10.871 6.834 666 2HE LYS 91 1HE LYS 91 12.153 11.174 7.569 667 1HZ LYS 91 1HZ LYS 91 13.766 8.699 7.904 668 2HZ LYS 91 2HZ LYS 91 12.260 9.004 8.623 669 3HZ LYS 91 3HZ LYS 91 13.608 9.938 9.052 670 H THR 92 H THR 92 11.379 7.493 4.284 671 HA THR 92 HA THR 92 9.769 6.060 2.350 672 HB THR 92 HB THR 92 11.875 4.505 3.833 673 HG1 THR 92 HG1 THR 92 12.052 5.920 1.421 674 1HG2 THR 92 1HG2 THR 92 9.929 3.240 3.070 675 2HG2 THR 92 2HG2 THR 92 11.364 2.784 2.149 676 3HG2 THR 92 3HG2 THR 92 10.162 3.858 1.432 677 H TYR 93 H TYR 93 8.147 4.931 3.331 678 HA TYR 93 HA TYR 93 8.251 4.453 6.205 679 1HB TYR 93 2HB TYR 93 5.823 5.801 4.996 680 2HB TYR 93 1HB TYR 93 6.111 5.448 6.691 681 HD1 TYR 93 HD1 TYR 93 6.801 7.639 3.948 682 HD2 TYR 93 HD2 TYR 93 7.595 6.876 8.030 683 HE1 TYR 93 HE1 TYR 93 7.689 9.932 4.183 684 HE2 TYR 93 HE2 TYR 93 8.486 9.155 8.303 685 HH TYR 93 HH TYR 93 8.087 11.573 5.898 686 H TYR 94 H TYR 94 5.736 3.555 6.578 687 HA TYR 94 HA TYR 94 5.153 1.529 4.587 688 1HB TYR 94 2HB TYR 94 5.990 0.710 7.383 689 2HB TYR 94 1HB TYR 94 5.464 -0.363 6.094 690 HD1 TYR 94 HD1 TYR 94 6.951 -0.448 3.974 691 HD2 TYR 94 HD2 TYR 94 8.247 1.152 7.696 692 HE1 TYR 94 HE1 TYR 94 9.290 -0.779 3.296 693 HE2 TYR 94 HE2 TYR 94 10.590 0.832 7.025 694 HH TYR 94 HH TYR 94 11.901 -0.513 5.499 695 H ASP 95 H ASP 95 3.092 0.688 4.806 696 HA ASP 95 HA ASP 95 1.604 1.422 7.245 697 1HB ASP 95 2HB ASP 95 0.644 2.571 5.298 698 2HB ASP 95 1HB ASP 95 0.496 1.033 4.449 699 H ASN 96 H ASN 96 1.832 -0.368 8.439 700 HA ASN 96 HA ASN 96 0.853 -2.889 7.357 701 1HB ASN 96 2HB ASN 96 2.840 -4.124 8.176 702 2HB ASN 96 1HB ASN 96 3.219 -3.010 6.872 703 1HD2 ASN 96 1HD2 ASN 96 5.009 -4.176 8.760 704 2HD2 ASN 96 2HD2 ASN 96 5.750 -2.874 9.627 705 H ASN 97 H ASN 97 -0.742 -1.796 8.939 706 HA ASN 97 HA ASN 97 -1.968 -2.066 10.842 707 1HB ASN 97 2HB ASN 97 0.181 -4.053 11.649 708 2HB ASN 97 1HB ASN 97 -1.340 -3.810 12.495 709 1HD2 ASN 97 1HD2 ASN 97 -1.858 -5.971 12.214 710 2HD2 ASN 97 2HD2 ASN 97 -2.374 -6.602 10.675 711 H ASN 98 H ASN 98 1.367 -2.427 11.919 712 HA ASN 98 HA ASN 98 1.541 0.260 12.902 713 1HB ASN 98 2HB ASN 98 0.425 -0.938 14.825 714 2HB ASN 98 1HB ASN 98 1.818 -2.016 14.895 715 1HD2 ASN 98 1HD2 ASN 98 2.448 -1.404 16.943 716 2HD2 ASN 98 2HD2 ASN 98 3.095 0.164 17.298 717 H SER 99 H SER 99 2.905 -2.979 13.354 718 HA SER 99 HA SER 99 5.048 -2.380 11.524 719 1HB SER 99 2HB SER 99 5.638 -3.073 14.413 720 2HB SER 99 1HB SER 99 6.832 -3.099 13.118 721 HG SER 99 HG SER 99 5.405 -0.747 13.312 722 H ALA 100 H ALA 100 2.962 -4.094 11.174 723 HA ALA 100 HA ALA 100 4.231 -6.726 11.510 724 1HB ALA 100 1HB ALA 100 2.087 -7.747 11.979 725 2HB ALA 100 2HB ALA 100 1.284 -6.182 11.846 726 3HB ALA 100 3HB ALA 100 2.431 -6.480 13.155 727 H ASN 101 H ASN 101 1.105 -6.629 10.160 728 HA ASN 101 HA ASN 101 1.495 -6.491 7.411 729 1HB ASN 101 2HB ASN 101 1.745 -8.926 6.855 730 2HB ASN 101 1HB ASN 101 3.193 -8.193 7.531 731 1HD2 ASN 101 1HD2 ASN 101 0.706 -10.539 7.959 732 2HD2 ASN 101 2HD2 ASN 101 1.359 -11.271 9.384 733 H TYR 102 H TYR 102 -0.359 -7.082 6.309 734 HA TYR 102 HA TYR 102 -2.669 -7.419 8.030 735 1HB TYR 102 2HB TYR 102 -2.431 -6.929 5.054 736 2HB TYR 102 1HB TYR 102 -3.958 -7.026 5.927 737 HD1 TYR 102 HD1 TYR 102 -0.945 -5.017 5.351 738 HD2 TYR 102 HD2 TYR 102 -4.681 -5.223 7.366 739 HE1 TYR 102 HE1 TYR 102 -0.782 -2.623 5.871 740 HE2 TYR 102 HE2 TYR 102 -4.535 -2.825 7.895 741 HH TYR 102 HH TYR 102 -2.236 -0.747 6.443 742 H GLN 103 H GLN 103 -4.149 -9.067 7.924 743 HA GLN 103 HA GLN 103 -3.011 -11.614 7.053 744 1HB GLN 103 2HB GLN 103 -5.226 -10.874 8.955 745 2HB GLN 103 1HB GLN 103 -5.036 -12.513 8.367 746 1HG GLN 103 2HG GLN 103 -4.055 -12.196 10.570 747 2HG GLN 103 1HG GLN 103 -2.864 -12.682 9.368 748 1HE2 GLN 103 1HE2 GLN 103 -1.321 -11.261 8.718 749 2HE2 GLN 103 2HE2 GLN 103 -0.957 -9.804 9.597 750 H VAL 104 H VAL 104 -3.477 -12.060 4.983 751 HA VAL 104 HA VAL 104 -6.213 -11.676 4.015 752 HB VAL 104 HB VAL 104 -3.853 -12.809 2.505 753 1HG1 VAL 104 1HG1 VAL 104 -5.184 -12.130 0.534 754 2HG1 VAL 104 2HG1 VAL 104 -6.498 -11.683 1.615 755 3HG1 VAL 104 3HG1 VAL 104 -5.977 -13.365 1.511 756 1HG2 VAL 104 1HG2 VAL 104 -4.846 -9.983 2.312 757 2HG2 VAL 104 2HG2 VAL 104 -3.363 -10.674 1.661 758 3HG2 VAL 104 3HG2 VAL 104 -3.540 -10.452 3.401 759 H SER 105 H SER 105 -7.589 -13.251 4.547 760 HA SER 105 HA SER 105 -6.515 -15.851 5.296 761 1HB SER 105 2HB SER 105 -9.307 -14.739 5.642 762 2HB SER 105 1HB SER 105 -8.677 -16.221 6.364 763 HG SER 105 HG SER 105 -7.126 -14.002 6.829 764 H THR 106 H THR 106 -6.228 -15.845 2.716 765 HA THR 106 HA THR 106 -8.108 -17.888 1.894 766 HB THR 106 HB THR 106 -7.628 -15.451 0.157 767 HG1 THR 106 HG1 THR 106 -9.490 -16.006 2.029 768 1HG2 THR 106 1HG2 THR 106 -7.850 -17.165 -1.391 769 2HG2 THR 106 2HG2 THR 106 -9.523 -16.642 -1.182 770 3HG2 THR 106 3HG2 THR 106 -8.943 -18.094 -0.362 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -7.057 20.764 10.630 2 2H ALA 1 2H ALA 1 -5.920 21.449 9.579 3 3H ALA 1 3H ALA 1 -5.657 19.899 10.217 4 HA ALA 1 HA ALA 1 -7.874 20.649 8.397 5 1HB ALA 1 1HB ALA 1 -6.707 19.554 6.645 6 2HB ALA 1 2HB ALA 1 -5.475 18.956 7.753 7 3HB ALA 1 3HB ALA 1 -5.567 20.680 7.388 8 H SER 2 H SER 2 -8.910 18.683 7.483 9 HA SER 2 HA SER 2 -9.313 16.758 9.611 10 1HB SER 2 2HB SER 2 -10.738 17.054 6.974 11 2HB SER 2 1HB SER 2 -11.129 15.906 8.252 12 HG SER 2 HG SER 2 -11.342 17.823 9.646 13 H ILE 3 H ILE 3 -7.356 15.848 9.476 14 HA ILE 3 HA ILE 3 -6.892 13.972 7.274 15 HB ILE 3 HB ILE 3 -4.969 15.352 9.140 16 1HG1 ILE 3 2HG1 ILE 3 -5.065 15.441 6.139 17 2HG1 ILE 3 1HG1 ILE 3 -6.026 16.533 7.133 18 1HG2 ILE 3 1HG2 ILE 3 -3.184 14.229 7.859 19 2HG2 ILE 3 2HG2 ILE 3 -4.414 13.255 7.051 20 3HG2 ILE 3 3HG2 ILE 3 -4.172 13.104 8.792 21 1HD1 ILE 3 1HD1 ILE 3 -3.046 16.272 7.321 22 2HD1 ILE 3 2HD1 ILE 3 -4.077 17.446 8.136 23 3HD1 ILE 3 3HD1 ILE 3 -3.889 17.507 6.382 24 HA PRO 4 HA PRO 4 -7.633 10.681 10.181 25 1HB PRO 4 2HB PRO 4 -6.003 8.841 8.902 26 2HB PRO 4 1HB PRO 4 -7.699 9.145 8.522 27 1HG PRO 4 2HG PRO 4 -5.238 10.190 7.188 28 2HG PRO 4 1HG PRO 4 -6.767 9.656 6.465 29 1HD PRO 4 2HD PRO 4 -6.189 12.252 6.727 30 2HD PRO 4 1HD PRO 4 -7.844 11.649 6.970 31 H SER 5 H SER 5 -6.517 9.445 11.676 32 HA SER 5 HA SER 5 -4.053 10.650 12.593 33 1HB SER 5 2HB SER 5 -5.981 10.183 14.139 34 2HB SER 5 1HB SER 5 -5.695 8.461 13.894 35 HG SER 5 HG SER 5 -3.670 10.223 14.798 36 H SER 6 H SER 6 -3.536 9.406 10.301 37 HA SER 6 HA SER 6 -2.380 6.809 11.023 38 1HB SER 6 2HB SER 6 -4.009 6.910 9.117 39 2HB SER 6 1HB SER 6 -2.850 7.922 8.257 40 HG SER 6 HG SER 6 -2.473 5.252 9.156 41 H ALA 7 H ALA 7 -0.457 6.438 9.251 42 HA ALA 7 HA ALA 7 1.589 8.359 10.064 43 1HB ALA 7 1HB ALA 7 3.183 6.665 9.371 44 2HB ALA 7 2HB ALA 7 1.884 5.690 8.683 45 3HB ALA 7 3HB ALA 7 1.966 5.946 10.427 46 H SER 8 H SER 8 3.324 7.578 7.812 47 HA SER 8 HA SER 8 2.763 9.663 6.031 48 1HB SER 8 2HB SER 8 4.368 7.325 5.098 49 2HB SER 8 1HB SER 8 4.716 9.051 4.980 50 HG SER 8 HG SER 8 5.003 8.965 7.341 51 H VAL 9 H VAL 9 1.792 6.320 6.076 52 HA VAL 9 HA VAL 9 -0.039 6.799 3.888 53 HB VAL 9 HB VAL 9 1.688 6.004 2.531 54 1HG1 VAL 9 1HG1 VAL 9 2.879 3.843 3.213 55 2HG1 VAL 9 2HG1 VAL 9 2.357 4.253 4.844 56 3HG1 VAL 9 3HG1 VAL 9 3.387 5.363 3.936 57 1HG2 VAL 9 1HG2 VAL 9 -0.307 4.716 2.072 58 2HG2 VAL 9 2HG2 VAL 9 0.113 3.559 3.334 59 3HG2 VAL 9 3HG2 VAL 9 1.114 3.688 1.886 60 H GLN 10 H GLN 10 -1.781 5.414 3.857 61 HA GLN 10 HA GLN 10 -1.927 3.275 5.852 62 1HB GLN 10 2HB GLN 10 -3.001 5.410 6.726 63 2HB GLN 10 1HB GLN 10 -4.142 5.287 5.394 64 1HG GLN 10 2HG GLN 10 -4.658 2.951 6.308 65 2HG GLN 10 1HG GLN 10 -3.826 3.488 7.764 66 1HE2 GLN 10 1HE2 GLN 10 -6.617 3.837 5.760 67 2HE2 GLN 10 2HE2 GLN 10 -7.553 4.785 6.865 68 H LEU 11 H LEU 11 -3.433 1.628 5.227 69 HA LEU 11 HA LEU 11 -4.095 1.582 2.411 70 1HB LEU 11 2HB LEU 11 -3.349 -0.473 3.405 71 2HB LEU 11 1HB LEU 11 -4.572 -0.368 4.657 72 HG LEU 11 HG LEU 11 -6.280 -0.502 2.716 73 1HD1 LEU 11 1HD1 LEU 11 -3.776 -1.460 1.340 74 2HD1 LEU 11 2HD1 LEU 11 -4.844 -0.145 0.854 75 3HD1 LEU 11 3HD1 LEU 11 -5.413 -1.813 0.786 76 1HD2 LEU 11 1HD2 LEU 11 -6.322 -2.870 2.909 77 2HD2 LEU 11 2HD2 LEU 11 -5.745 -2.232 4.447 78 3HD2 LEU 11 3HD2 LEU 11 -4.605 -2.935 3.300 79 H ASP 12 H ASP 12 -6.105 1.735 1.544 80 HA ASP 12 HA ASP 12 -8.232 2.751 3.234 81 1HB ASP 12 2HB ASP 12 -7.923 3.810 1.078 82 2HB ASP 12 1HB ASP 12 -8.073 2.280 0.249 83 H SER 13 H SER 13 -8.052 0.287 0.707 84 HA SER 13 HA SER 13 -8.973 -1.886 2.241 85 1HB SER 13 2HB SER 13 -11.299 -2.082 1.413 86 2HB SER 13 1HB SER 13 -11.077 -0.645 2.413 87 HG SER 13 HG SER 13 -10.926 0.593 0.489 88 H TYR 14 H TYR 14 -9.524 -3.746 1.017 89 HA TYR 14 HA TYR 14 -9.045 -3.727 -1.845 90 1HB TYR 14 2HB TYR 14 -7.200 -5.342 -1.718 91 2HB TYR 14 1HB TYR 14 -6.766 -3.828 -0.937 92 HD1 TYR 14 HD1 TYR 14 -7.747 -7.312 -0.325 93 HD2 TYR 14 HD2 TYR 14 -6.216 -3.757 1.372 94 HE1 TYR 14 HE1 TYR 14 -7.114 -8.572 1.685 95 HE2 TYR 14 HE2 TYR 14 -5.594 -4.988 3.411 96 HH TYR 14 HH TYR 14 -5.536 -8.371 3.573 97 H ASN 15 H ASN 15 -9.451 -5.881 -2.769 98 HA ASN 15 HA ASN 15 -10.992 -7.623 -0.977 99 1HB ASN 15 2HB ASN 15 -12.568 -6.232 -2.277 100 2HB ASN 15 1HB ASN 15 -11.844 -6.827 -3.762 101 1HD2 ASN 15 1HD2 ASN 15 -13.666 -7.756 -0.914 102 2HD2 ASN 15 2HD2 ASN 15 -14.406 -9.151 -1.627 103 H TYR 16 H TYR 16 -11.267 -9.767 -1.824 104 HA TYR 16 HA TYR 16 -9.063 -10.607 -3.562 105 1HB TYR 16 2HB TYR 16 -8.364 -10.768 -1.152 106 2HB TYR 16 1HB TYR 16 -9.693 -11.891 -0.911 107 HD1 TYR 16 HD1 TYR 16 -6.840 -11.509 -3.301 108 HD2 TYR 16 HD2 TYR 16 -9.135 -14.094 -0.825 109 HE1 TYR 16 HE1 TYR 16 -5.398 -13.393 -3.941 110 HE2 TYR 16 HE2 TYR 16 -7.701 -15.983 -1.458 111 HH TYR 16 HH TYR 16 -6.231 -16.628 -3.293 112 H ASP 17 H ASP 17 -9.373 -12.517 -4.574 113 HA ASP 17 HA ASP 17 -12.073 -13.660 -4.561 114 1HB ASP 17 2HB ASP 17 -11.537 -12.097 -6.519 115 2HB ASP 17 1HB ASP 17 -10.372 -13.309 -7.032 116 H GLY 18 H GLY 18 -11.258 -15.612 -6.635 117 1HA GLY 18 2HA GLY 18 -10.117 -17.693 -5.192 118 2HA GLY 18 1HA GLY 18 -9.966 -17.520 -6.941 119 H SER 19 H SER 19 -8.237 -15.942 -7.673 120 HA SER 19 HA SER 19 -6.424 -15.086 -5.557 121 1HB SER 19 2HB SER 19 -5.418 -17.117 -6.556 122 2HB SER 19 1HB SER 19 -5.528 -16.366 -8.148 123 HG SER 19 HG SER 19 -3.929 -15.002 -7.646 124 H THR 20 H THR 20 -7.458 -13.085 -5.850 125 HA THR 20 HA THR 20 -6.401 -11.538 -8.075 126 HB THR 20 HB THR 20 -9.343 -11.416 -7.364 127 HG1 THR 20 HG1 THR 20 -9.733 -12.664 -9.104 128 1HG2 THR 20 1HG2 THR 20 -8.338 -9.311 -8.195 129 2HG2 THR 20 2HG2 THR 20 -9.541 -9.973 -9.301 130 3HG2 THR 20 3HG2 THR 20 -7.823 -10.160 -9.653 131 H PHE 21 H PHE 21 -5.846 -9.467 -7.456 132 HA PHE 21 HA PHE 21 -6.822 -8.541 -4.822 133 1HB PHE 21 2HB PHE 21 -4.342 -8.938 -4.955 134 2HB PHE 21 1HB PHE 21 -4.260 -7.742 -6.241 135 HD1 PHE 21 HD1 PHE 21 -4.002 -8.282 -2.771 136 HD2 PHE 21 HD2 PHE 21 -5.176 -5.362 -5.632 137 HE1 PHE 21 HE1 PHE 21 -3.706 -6.507 -1.084 138 HE2 PHE 21 HE2 PHE 21 -4.882 -3.594 -3.953 139 HZ PHE 21 HZ PHE 21 -4.148 -4.164 -1.678 140 H SER 22 H SER 22 -7.797 -6.623 -4.775 141 HA SER 22 HA SER 22 -7.394 -4.615 -6.770 142 1HB SER 22 2HB SER 22 -9.923 -6.228 -6.771 143 2HB SER 22 1HB SER 22 -9.966 -4.522 -7.248 144 HG SER 22 HG SER 22 -8.232 -6.468 -8.382 145 H GLY 23 H GLY 23 -7.763 -2.643 -5.900 146 1HA GLY 23 2HA GLY 23 -9.701 -1.965 -4.038 147 2HA GLY 23 1HA GLY 23 -8.299 -2.496 -3.124 148 H LYS 24 H LYS 24 -7.927 -0.481 -2.247 149 HA LYS 24 HA LYS 24 -6.431 1.289 -3.924 150 1HB LYS 24 2HB LYS 24 -7.902 3.274 -3.364 151 2HB LYS 24 1HB LYS 24 -8.494 2.156 -4.587 152 1HG LYS 24 2HG LYS 24 -9.881 1.090 -2.772 153 2HG LYS 24 1HG LYS 24 -9.407 2.446 -1.737 154 1HD LYS 24 2HD LYS 24 -10.422 4.024 -3.237 155 2HD LYS 24 1HD LYS 24 -10.715 2.771 -4.443 156 1HE LYS 24 2HE LYS 24 -12.790 3.177 -3.392 157 2HE LYS 24 1HE LYS 24 -12.199 1.651 -2.736 158 1HZ LYS 24 1HZ LYS 24 -11.935 4.290 -1.400 159 2HZ LYS 24 2HZ LYS 24 -11.470 2.789 -0.757 160 3HZ LYS 24 3HZ LYS 24 -13.111 3.126 -1.030 161 H ILE 25 H ILE 25 -5.879 3.365 -2.588 162 HA ILE 25 HA ILE 25 -5.104 2.439 0.096 163 HB ILE 25 HB ILE 25 -3.109 3.640 -1.821 164 1HG1 ILE 25 2HG1 ILE 25 -3.569 0.706 -1.238 165 2HG1 ILE 25 1HG1 ILE 25 -3.891 1.510 -2.770 166 1HG2 ILE 25 1HG2 ILE 25 -2.559 3.818 0.539 167 2HG2 ILE 25 2HG2 ILE 25 -1.471 2.687 -0.264 168 3HG2 ILE 25 3HG2 ILE 25 -2.790 2.081 0.739 169 1HD1 ILE 25 1HD1 ILE 25 -1.188 1.209 -1.488 170 2HD1 ILE 25 2HD1 ILE 25 -1.523 1.961 -3.048 171 3HD1 ILE 25 3HD1 ILE 25 -1.813 0.236 -2.818 172 H TYR 26 H TYR 26 -4.098 4.199 1.397 173 HA TYR 26 HA TYR 26 -5.234 6.843 0.737 174 1HB TYR 26 2HB TYR 26 -6.601 5.289 2.295 175 2HB TYR 26 1HB TYR 26 -5.304 5.565 3.461 176 HD1 TYR 26 HD1 TYR 26 -4.754 8.077 3.909 177 HD2 TYR 26 HD2 TYR 26 -8.446 6.683 2.329 178 HE1 TYR 26 HE1 TYR 26 -5.866 10.130 4.688 179 HE2 TYR 26 HE2 TYR 26 -9.566 8.737 3.093 180 HH TYR 26 HH TYR 26 -9.226 10.502 4.807 181 H VAL 27 H VAL 27 -3.202 7.973 0.511 182 HA VAL 27 HA VAL 27 -1.417 7.734 2.812 183 HB VAL 27 HB VAL 27 0.236 6.642 1.831 184 1HG1 VAL 27 1HG1 VAL 27 -0.133 5.456 -0.281 185 2HG1 VAL 27 2HG1 VAL 27 -1.585 6.421 -0.549 186 3HG1 VAL 27 3HG1 VAL 27 -1.497 5.322 0.829 187 1HG2 VAL 27 1HG2 VAL 27 1.124 8.651 0.865 188 2HG2 VAL 27 2HG2 VAL 27 0.031 8.519 -0.511 189 3HG2 VAL 27 3HG2 VAL 27 1.306 7.325 -0.281 190 H LYS 28 H LYS 28 0.104 9.372 3.071 191 HA LYS 28 HA LYS 28 -0.861 11.967 2.391 192 1HB LYS 28 2HB LYS 28 0.191 11.345 4.567 193 2HB LYS 28 1HB LYS 28 1.714 11.094 3.733 194 1HG LYS 28 2HG LYS 28 1.575 13.526 3.042 195 2HG LYS 28 1HG LYS 28 0.255 13.674 4.206 196 1HD LYS 28 2HD LYS 28 3.089 12.808 4.793 197 2HD LYS 28 1HD LYS 28 2.340 14.336 5.251 198 1HE LYS 28 2HE LYS 28 1.282 11.673 6.165 199 2HE LYS 28 1HE LYS 28 2.519 12.554 7.057 200 1HZ LYS 28 1HZ LYS 28 0.177 12.905 7.821 201 2HZ LYS 28 2HZ LYS 28 -0.116 13.732 6.364 202 3HZ LYS 28 3HZ LYS 28 1.035 14.324 7.460 203 H ASN 29 H ASN 29 0.078 13.465 0.995 204 HA ASN 29 HA ASN 29 2.084 12.356 -0.829 205 1HB ASN 29 2HB ASN 29 1.403 14.452 -2.239 206 2HB ASN 29 1HB ASN 29 0.374 13.022 -2.217 207 1HD2 ASN 29 1HD2 ASN 29 -1.401 14.209 -2.826 208 2HD2 ASN 29 2HD2 ASN 29 -2.223 15.271 -1.728 209 H ILE 30 H ILE 30 3.961 12.695 0.134 210 HA ILE 30 HA ILE 30 4.673 15.101 1.501 211 HB ILE 30 HB ILE 30 6.377 12.800 0.575 212 1HG1 ILE 30 2HG1 ILE 30 5.026 13.327 3.230 213 2HG1 ILE 30 1HG1 ILE 30 4.507 12.134 2.040 214 1HG2 ILE 30 1HG2 ILE 30 7.719 14.755 1.075 215 2HG2 ILE 30 2HG2 ILE 30 7.915 13.554 2.352 216 3HG2 ILE 30 3HG2 ILE 30 6.887 14.962 2.616 217 1HD1 ILE 30 1HD1 ILE 30 5.829 11.258 3.971 218 2HD1 ILE 30 2HD1 ILE 30 7.199 12.133 3.289 219 3HD1 ILE 30 3HD1 ILE 30 6.444 10.842 2.371 220 H ALA 31 H ALA 31 5.937 13.494 -1.387 221 HA ALA 31 HA ALA 31 6.678 16.094 -2.489 222 1HB ALA 31 1HB ALA 31 8.372 14.895 -3.808 223 2HB ALA 31 2HB ALA 31 7.914 13.410 -2.984 224 3HB ALA 31 3HB ALA 31 8.634 14.729 -2.072 225 H TYR 32 H TYR 32 7.075 15.087 -5.143 226 HA TYR 32 HA TYR 32 4.301 14.318 -5.727 227 1HB TYR 32 2HB TYR 32 4.916 16.625 -6.351 228 2HB TYR 32 1HB TYR 32 6.092 15.974 -7.495 229 HD1 TYR 32 HD1 TYR 32 2.544 15.147 -6.650 230 HD2 TYR 32 HD2 TYR 32 5.339 16.181 -9.684 231 HE1 TYR 32 HE1 TYR 32 0.765 14.972 -8.338 232 HE2 TYR 32 HE2 TYR 32 3.567 16.009 -11.379 233 HH TYR 32 HH TYR 32 0.243 15.748 -10.541 234 H SER 33 H SER 33 7.667 13.703 -6.346 235 HA SER 33 HA SER 33 7.133 11.597 -8.225 236 1HB SER 33 2HB SER 33 9.582 12.024 -6.487 237 2HB SER 33 1HB SER 33 9.478 11.008 -7.936 238 HG SER 33 HG SER 33 10.169 13.513 -7.840 239 H LYS 34 H LYS 34 5.333 10.826 -6.834 240 HA LYS 34 HA LYS 34 6.093 9.376 -4.431 241 1HB LYS 34 2HB LYS 34 3.427 9.868 -5.753 242 2HB LYS 34 1HB LYS 34 3.643 9.026 -4.226 243 1HG LYS 34 2HG LYS 34 4.154 10.966 -3.103 244 2HG LYS 34 1HG LYS 34 4.724 11.758 -4.572 245 1HD LYS 34 2HD LYS 34 1.839 11.083 -4.040 246 2HD LYS 34 1HD LYS 34 2.562 12.665 -3.732 247 1HE LYS 34 2HE LYS 34 3.190 12.823 -6.103 248 2HE LYS 34 1HE LYS 34 2.431 11.260 -6.400 249 1HZ LYS 34 1HZ LYS 34 0.309 12.171 -5.819 250 2HZ LYS 34 2HZ LYS 34 1.020 13.155 -7.001 251 3HZ LYS 34 3HZ LYS 34 1.005 13.654 -5.389 252 H LYS 35 H LYS 35 6.472 7.271 -4.429 253 HA LYS 35 HA LYS 35 5.513 5.689 -6.715 254 1HB LYS 35 2HB LYS 35 8.233 5.559 -5.401 255 2HB LYS 35 1HB LYS 35 7.639 4.392 -6.578 256 1HG LYS 35 2HG LYS 35 7.431 6.182 -8.238 257 2HG LYS 35 1HG LYS 35 8.051 7.337 -7.060 258 1HD LYS 35 2HD LYS 35 9.839 6.721 -8.515 259 2HD LYS 35 1HD LYS 35 10.138 5.992 -6.939 260 1HE LYS 35 2HE LYS 35 8.818 4.508 -9.199 261 2HE LYS 35 1HE LYS 35 10.564 4.535 -8.974 262 1HZ LYS 35 1HZ LYS 35 10.187 3.621 -6.720 263 2HZ LYS 35 2HZ LYS 35 9.693 2.575 -7.965 264 3HZ LYS 35 3HZ LYS 35 8.542 3.453 -7.093 265 H VAL 36 H VAL 36 4.158 4.199 -6.032 266 HA VAL 36 HA VAL 36 4.408 3.363 -3.226 267 HB VAL 36 HB VAL 36 1.889 3.673 -4.867 268 1HG1 VAL 36 1HG1 VAL 36 0.696 3.012 -2.943 269 2HG1 VAL 36 2HG1 VAL 36 2.145 3.017 -1.965 270 3HG1 VAL 36 3HG1 VAL 36 1.923 1.774 -3.198 271 1HG2 VAL 36 1HG2 VAL 36 3.019 5.737 -4.045 272 2HG2 VAL 36 2HG2 VAL 36 2.785 5.153 -2.405 273 3HG2 VAL 36 3HG2 VAL 36 1.390 5.504 -3.430 274 H THR 37 H THR 37 5.021 1.419 -3.007 275 HA THR 37 HA THR 37 4.419 -0.537 -5.123 276 HB THR 37 HB THR 37 6.701 -1.541 -4.447 277 HG1 THR 37 HG1 THR 37 6.659 0.475 -2.770 278 1HG2 THR 37 1HG2 THR 37 6.102 0.830 -6.122 279 2HG2 THR 37 2HG2 THR 37 6.704 -0.761 -6.591 280 3HG2 THR 37 3HG2 THR 37 7.800 0.425 -5.876 281 H VAL 38 H VAL 38 3.084 -1.980 -4.366 282 HA VAL 38 HA VAL 38 2.892 -2.604 -1.547 283 HB VAL 38 HB VAL 38 1.523 -3.871 -3.925 284 1HG1 VAL 38 1HG1 VAL 38 0.140 -5.057 -2.445 285 2HG1 VAL 38 2HG1 VAL 38 0.637 -4.106 -1.059 286 3HG1 VAL 38 3HG1 VAL 38 1.756 -5.265 -1.779 287 1HG2 VAL 38 1HG2 VAL 38 -0.086 -2.373 -2.078 288 2HG2 VAL 38 2HG2 VAL 38 -0.009 -2.259 -3.828 289 3HG2 VAL 38 3HG2 VAL 38 1.141 -1.370 -2.828 290 H VAL 39 H VAL 39 4.351 -3.889 -0.649 291 HA VAL 39 HA VAL 39 5.313 -6.166 -2.229 292 HB VAL 39 HB VAL 39 6.662 -4.386 -0.340 293 1HG1 VAL 39 1HG1 VAL 39 7.246 -7.308 -0.223 294 2HG1 VAL 39 2HG1 VAL 39 6.606 -6.296 1.074 295 3HG1 VAL 39 3HG1 VAL 39 8.246 -6.030 0.476 296 1HG2 VAL 39 1HG2 VAL 39 7.603 -6.148 -2.561 297 2HG2 VAL 39 2HG2 VAL 39 8.606 -4.993 -1.688 298 3HG2 VAL 39 3HG2 VAL 39 7.251 -4.422 -2.658 299 H TYR 40 H TYR 40 4.234 -7.916 -1.798 300 HA TYR 40 HA TYR 40 3.038 -8.173 0.857 301 1HB TYR 40 2HB TYR 40 1.519 -9.844 -0.254 302 2HB TYR 40 1HB TYR 40 1.339 -8.175 -0.764 303 HD1 TYR 40 HD1 TYR 40 0.644 -8.130 -2.935 304 HD2 TYR 40 HD2 TYR 40 3.649 -10.916 -1.877 305 HE1 TYR 40 HE1 TYR 40 0.786 -8.849 -5.269 306 HE2 TYR 40 HE2 TYR 40 3.813 -11.634 -4.222 307 HH TYR 40 HH TYR 40 2.451 -11.641 -6.238 308 H ALA 41 H ALA 41 2.996 -10.091 1.964 309 HA ALA 41 HA ALA 41 5.139 -11.954 1.486 310 1HB ALA 41 1HB ALA 41 4.821 -12.517 3.616 311 2HB ALA 41 2HB ALA 41 3.137 -12.939 3.310 312 3HB ALA 41 3HB ALA 41 3.574 -11.276 3.706 313 H ASP 42 H ASP 42 4.449 -12.224 -0.609 314 HA ASP 42 HA ASP 42 2.200 -13.490 -1.577 315 1HB ASP 42 2HB ASP 42 3.482 -12.879 -3.291 316 2HB ASP 42 1HB ASP 42 4.999 -13.211 -2.471 317 H GLY 43 H GLY 43 1.916 -15.592 -2.362 318 1HA GLY 43 2HA GLY 43 1.565 -17.833 -2.022 319 2HA GLY 43 1HA GLY 43 3.257 -17.890 -1.564 320 H SER 44 H SER 44 3.757 -18.373 0.462 321 HA SER 44 HA SER 44 1.549 -19.016 2.238 322 1HB SER 44 2HB SER 44 4.502 -19.585 2.565 323 2HB SER 44 1HB SER 44 3.175 -20.324 3.465 324 HG SER 44 HG SER 44 4.050 -21.562 1.637 325 H ASP 45 H ASP 45 4.562 -17.169 2.379 326 HA ASP 45 HA ASP 45 3.690 -14.954 3.741 327 1HB ASP 45 2HB ASP 45 4.280 -15.285 6.052 328 2HB ASP 45 1HB ASP 45 3.203 -16.602 5.602 329 H ASN 46 H ASN 46 5.657 -15.702 1.727 330 HA ASN 46 HA ASN 46 8.200 -15.589 3.205 331 1HB ASN 46 2HB ASN 46 7.842 -17.697 2.022 332 2HB ASN 46 1HB ASN 46 7.621 -16.823 0.510 333 1HD2 ASN 46 1HD2 ASN 46 9.324 -17.916 -0.462 334 2HD2 ASN 46 2HD2 ASN 46 10.979 -17.590 -0.066 335 H TRP 47 H TRP 47 9.103 -13.660 3.139 336 HA TRP 47 HA TRP 47 9.126 -12.181 0.599 337 1HB TRP 47 2HB TRP 47 10.526 -10.999 2.909 338 2HB TRP 47 1HB TRP 47 9.436 -10.245 1.757 339 HD1 TRP 47 HD1 TRP 47 9.206 -12.559 4.837 340 HE1 TRP 47 HE1 TRP 47 7.071 -11.924 6.149 341 HE3 TRP 47 HE3 TRP 47 7.340 -9.014 1.671 342 HZ2 TRP 47 HZ2 TRP 47 4.909 -10.130 5.859 343 HZ3 TRP 47 HZ3 TRP 47 5.263 -7.899 2.248 344 HH2 TRP 47 HH2 TRP 47 4.071 -8.449 4.278 345 H ASN 48 H ASN 48 10.523 -13.639 -0.387 346 HA ASN 48 HA ASN 48 13.081 -14.329 0.679 347 1HB ASN 48 2HB ASN 48 13.471 -15.260 -1.623 348 2HB ASN 48 1HB ASN 48 12.038 -15.883 -0.814 349 1HD2 ASN 48 1HD2 ASN 48 12.686 -15.836 -3.636 350 2HD2 ASN 48 2HD2 ASN 48 11.419 -14.932 -4.417 351 H ASN 49 H ASN 49 12.966 -11.620 0.819 352 HA ASN 49 HA ASN 49 13.850 -9.625 0.183 353 1HB ASN 49 2HB ASN 49 16.002 -11.589 -0.529 354 2HB ASN 49 1HB ASN 49 16.225 -9.868 -0.859 355 1HD2 ASN 49 1HD2 ASN 49 17.636 -11.628 0.991 356 2HD2 ASN 49 2HD2 ASN 49 17.477 -10.903 2.556 357 H ASN 50 H ASN 50 12.037 -10.783 -1.621 358 HA ASN 50 HA ASN 50 12.995 -9.777 -4.217 359 1HB ASN 50 2HB ASN 50 12.213 -12.195 -4.083 360 2HB ASN 50 1HB ASN 50 10.603 -11.575 -3.665 361 1HD2 ASN 50 1HD2 ASN 50 9.288 -10.864 -5.249 362 2HD2 ASN 50 2HD2 ASN 50 9.711 -10.846 -6.942 363 H GLY 51 H GLY 51 11.071 -9.300 -1.547 364 1HA GLY 51 2HA GLY 51 9.629 -7.633 -0.938 365 2HA GLY 51 1HA GLY 51 9.803 -6.953 -2.556 366 H ASN 52 H ASN 52 8.966 -8.569 -4.232 367 HA ASN 52 HA ASN 52 7.216 -9.630 -5.253 368 1HB ASN 52 2HB ASN 52 6.162 -10.055 -2.437 369 2HB ASN 52 1HB ASN 52 5.483 -10.773 -3.894 370 1HD2 ASN 52 1HD2 ASN 52 6.928 -11.755 -1.364 371 2HD2 ASN 52 2HD2 ASN 52 8.072 -12.897 -1.986 372 H ILE 53 H ILE 53 6.900 -7.522 -6.058 373 HA ILE 53 HA ILE 53 5.183 -5.786 -4.448 374 HB ILE 53 HB ILE 53 7.305 -4.815 -4.540 375 1HG1 ILE 53 2HG1 ILE 53 5.223 -3.403 -5.387 376 2HG1 ILE 53 1HG1 ILE 53 6.838 -2.714 -5.307 377 1HG2 ILE 53 1HG2 ILE 53 7.390 -5.177 -7.521 378 2HG2 ILE 53 2HG2 ILE 53 8.175 -6.237 -6.357 379 3HG2 ILE 53 3HG2 ILE 53 8.674 -4.552 -6.486 380 1HD1 ILE 53 1HD1 ILE 53 5.501 -3.814 -7.772 381 2HD1 ILE 53 2HD1 ILE 53 7.129 -3.142 -7.700 382 3HD1 ILE 53 3HD1 ILE 53 5.735 -2.111 -7.379 383 H ILE 54 H ILE 54 3.440 -4.914 -5.215 384 HA ILE 54 HA ILE 54 2.969 -4.944 -8.120 385 HB ILE 54 HB ILE 54 1.322 -6.234 -6.624 386 1HG1 ILE 54 2HG1 ILE 54 -0.669 -5.304 -7.880 387 2HG1 ILE 54 1HG1 ILE 54 0.414 -4.059 -8.504 388 1HG2 ILE 54 1HG2 ILE 54 0.444 -3.470 -5.903 389 2HG2 ILE 54 2HG2 ILE 54 1.127 -4.679 -4.814 390 3HG2 ILE 54 3HG2 ILE 54 -0.444 -4.957 -5.569 391 1HD1 ILE 54 1HD1 ILE 54 0.774 -7.023 -8.869 392 2HD1 ILE 54 2HD1 ILE 54 1.781 -5.749 -9.561 393 3HD1 ILE 54 3HD1 ILE 54 0.102 -5.918 -10.069 394 H ALA 55 H ALA 55 2.875 -2.959 -9.074 395 HA ALA 55 HA ALA 55 3.399 -0.691 -7.360 396 1HB ALA 55 1HB ALA 55 4.611 -1.021 -9.498 397 2HB ALA 55 2HB ALA 55 3.839 0.559 -9.352 398 3HB ALA 55 3HB ALA 55 3.105 -0.693 -10.360 399 H ALA 56 H ALA 56 2.014 0.819 -6.739 400 HA ALA 56 HA ALA 56 -0.768 0.580 -7.613 401 1HB ALA 56 1HB ALA 56 -1.313 1.873 -5.631 402 2HB ALA 56 2HB ALA 56 0.400 2.117 -5.302 403 3HB ALA 56 3HB ALA 56 -0.294 0.498 -5.203 404 H SER 57 H SER 57 -2.001 2.496 -8.040 405 HA SER 57 HA SER 57 -0.431 4.783 -8.967 406 1HB SER 57 2HB SER 57 -2.009 5.015 -10.822 407 2HB SER 57 1HB SER 57 -1.312 3.395 -10.826 408 HG SER 57 HG SER 57 -3.408 3.100 -9.386 409 H PHE 58 H PHE 58 -2.149 6.691 -9.242 410 HA PHE 58 HA PHE 58 -3.864 6.667 -6.939 411 1HB PHE 58 2HB PHE 58 -3.211 9.001 -6.439 412 2HB PHE 58 1HB PHE 58 -1.911 7.834 -6.219 413 HD1 PHE 58 HD1 PHE 58 -3.306 10.264 -8.602 414 HD2 PHE 58 HD2 PHE 58 0.135 8.136 -7.311 415 HE1 PHE 58 HE1 PHE 58 -1.940 11.571 -10.112 416 HE2 PHE 58 HE2 PHE 58 1.536 9.468 -8.840 417 HZ PHE 58 HZ PHE 58 0.497 11.202 -10.253 418 H SER 59 H SER 59 -5.738 7.816 -7.001 419 HA SER 59 HA SER 59 -6.692 8.529 -9.646 420 1HB SER 59 2HB SER 59 -8.058 8.613 -6.937 421 2HB SER 59 1HB SER 59 -8.850 8.929 -8.480 422 HG SER 59 HG SER 59 -7.467 6.499 -8.028 423 H GLY 60 H GLY 60 -5.917 10.057 -6.555 424 1HA GLY 60 2HA GLY 60 -4.750 12.307 -7.482 425 2HA GLY 60 1HA GLY 60 -6.462 12.707 -7.577 426 HA PRO 61 HA PRO 61 -4.571 13.326 -3.181 427 1HB PRO 61 2HB PRO 61 -4.809 16.064 -3.241 428 2HB PRO 61 1HB PRO 61 -3.316 15.190 -3.612 429 1HG PRO 61 2HG PRO 61 -5.421 16.199 -5.486 430 2HG PRO 61 1HG PRO 61 -3.660 16.409 -5.594 431 1HD PRO 61 2HD PRO 61 -4.853 14.562 -7.053 432 2HD PRO 61 1HD PRO 61 -3.346 14.151 -6.197 433 H ILE 62 H ILE 62 -5.852 13.925 -1.427 434 HA ILE 62 HA ILE 62 -8.693 13.785 -2.013 435 HB ILE 62 HB ILE 62 -7.375 13.807 0.704 436 1HG1 ILE 62 2HG1 ILE 62 -8.056 11.400 -0.989 437 2HG1 ILE 62 1HG1 ILE 62 -6.430 12.045 -0.800 438 1HG2 ILE 62 1HG2 ILE 62 -10.020 12.710 -0.251 439 2HG2 ILE 62 2HG2 ILE 62 -9.780 14.161 0.715 440 3HG2 ILE 62 3HG2 ILE 62 -9.384 12.586 1.390 441 1HD1 ILE 62 1HD1 ILE 62 -6.698 11.685 1.671 442 2HD1 ILE 62 2HD1 ILE 62 -6.603 10.248 0.653 443 3HD1 ILE 62 3HD1 ILE 62 -8.164 10.772 1.278 444 H SER 63 H SER 63 -9.547 15.714 -2.519 445 HA SER 63 HA SER 63 -8.614 18.188 -1.579 446 1HB SER 63 2HB SER 63 -10.914 18.991 -2.426 447 2HB SER 63 1HB SER 63 -9.804 18.277 -3.591 448 HG SER 63 HG SER 63 -10.969 16.374 -3.520 449 H GLY 64 H GLY 64 -8.825 19.136 0.297 450 1HA GLY 64 2HA GLY 64 -10.234 19.900 2.119 451 2HA GLY 64 1HA GLY 64 -11.074 18.357 2.045 452 H SER 65 H SER 65 -8.074 17.448 1.516 453 HA SER 65 HA SER 65 -7.133 17.510 4.283 454 1HB SER 65 2HB SER 65 -7.424 14.952 2.676 455 2HB SER 65 1HB SER 65 -6.794 15.090 4.317 456 HG SER 65 HG SER 65 -8.764 15.199 5.069 457 H ASN 66 H ASN 66 -4.859 16.443 4.338 458 HA ASN 66 HA ASN 66 -3.417 17.339 1.941 459 1HB ASN 66 2HB ASN 66 -2.573 17.154 4.830 460 2HB ASN 66 1HB ASN 66 -1.398 17.314 3.529 461 1HD2 ASN 66 1HD2 ASN 66 -3.953 18.872 5.291 462 2HD2 ASN 66 2HD2 ASN 66 -3.655 20.475 4.716 463 H TYR 67 H TYR 67 -4.710 14.884 1.980 464 HA TYR 67 HA TYR 67 -2.416 13.046 1.812 465 1HB TYR 67 2HB TYR 67 -5.184 12.617 2.813 466 2HB TYR 67 1HB TYR 67 -4.475 11.321 1.858 467 HD1 TYR 67 HD1 TYR 67 -3.166 13.601 4.481 468 HD2 TYR 67 HD2 TYR 67 -3.750 9.605 3.222 469 HE1 TYR 67 HE1 TYR 67 -2.030 12.811 6.513 470 HE2 TYR 67 HE2 TYR 67 -2.614 8.785 5.243 471 HH TYR 67 HH TYR 67 -1.016 9.586 6.921 472 H GLU 68 H GLU 68 -3.087 11.182 0.263 473 HA GLU 68 HA GLU 68 -4.419 12.323 -2.093 474 1HB GLU 68 2HB GLU 68 -1.873 12.297 -2.201 475 2HB GLU 68 1HB GLU 68 -1.991 10.546 -2.236 476 1HG GLU 68 2HG GLU 68 -2.916 10.513 -4.337 477 2HG GLU 68 1HG GLU 68 -3.513 12.169 -4.212 478 H TYR 69 H TYR 69 -4.862 10.407 -3.719 479 HA TYR 69 HA TYR 69 -6.109 8.308 -2.078 480 1HB TYR 69 2HB TYR 69 -7.629 10.301 -2.891 481 2HB TYR 69 1HB TYR 69 -7.571 9.447 -4.430 482 HD1 TYR 69 HD1 TYR 69 -7.729 8.183 -0.960 483 HD2 TYR 69 HD2 TYR 69 -9.675 8.445 -4.722 484 HE1 TYR 69 HE1 TYR 69 -9.515 6.717 -0.121 485 HE2 TYR 69 HE2 TYR 69 -11.467 6.965 -3.906 486 HH TYR 69 HH TYR 69 -11.942 6.273 -0.659 487 H TRP 70 H TRP 70 -5.516 6.408 -2.756 488 HA TRP 70 HA TRP 70 -4.254 6.259 -5.405 489 1HB TRP 70 2HB TRP 70 -3.622 4.646 -2.930 490 2HB TRP 70 1HB TRP 70 -2.657 4.772 -4.403 491 HD1 TRP 70 HD1 TRP 70 -3.807 7.069 -1.505 492 HE1 TRP 70 HE1 TRP 70 -1.975 8.826 -1.186 493 HE3 TRP 70 HE3 TRP 70 -0.839 5.876 -5.229 494 HZ2 TRP 70 HZ2 TRP 70 0.444 9.602 -2.316 495 HZ3 TRP 70 HZ3 TRP 70 1.297 7.042 -5.608 496 HH2 TRP 70 HH2 TRP 70 1.896 8.935 -4.168 497 H THR 71 H THR 71 -4.479 4.294 -6.574 498 HA THR 71 HA THR 71 -6.571 2.441 -5.741 499 HB THR 71 HB THR 71 -7.669 2.913 -8.082 500 HG1 THR 71 HG1 THR 71 -6.491 4.497 -8.965 501 1HG2 THR 71 1HG2 THR 71 -8.087 4.741 -5.718 502 2HG2 THR 71 2HG2 THR 71 -8.862 3.182 -5.984 503 3HG2 THR 71 3HG2 THR 71 -9.217 4.534 -7.057 504 H PHE 72 H PHE 72 -6.441 0.461 -6.844 505 HA PHE 72 HA PHE 72 -5.408 0.242 -9.439 506 1HB PHE 72 2HB PHE 72 -3.289 -0.805 -9.148 507 2HB PHE 72 1HB PHE 72 -3.258 0.663 -8.181 508 HD1 PHE 72 HD1 PHE 72 -4.132 0.251 -5.663 509 HD2 PHE 72 HD2 PHE 72 -2.398 -2.672 -8.216 510 HE1 PHE 72 HE1 PHE 72 -3.465 -1.071 -3.691 511 HE2 PHE 72 HE2 PHE 72 -1.729 -3.989 -6.257 512 HZ PHE 72 HZ PHE 72 -2.258 -3.189 -3.993 513 H SER 73 H SER 73 -5.424 -1.880 -10.272 514 HA SER 73 HA SER 73 -6.647 -3.915 -8.535 515 1HB SER 73 2HB SER 73 -7.458 -4.941 -10.688 516 2HB SER 73 1HB SER 73 -8.160 -3.359 -10.344 517 HG SER 73 HG SER 73 -6.179 -4.074 -12.232 518 H ALA 74 H ALA 74 -5.769 -6.056 -8.671 519 HA ALA 74 HA ALA 74 -3.157 -6.204 -10.017 520 1HB ALA 74 1HB ALA 74 -3.116 -7.300 -7.313 521 2HB ALA 74 2HB ALA 74 -3.327 -5.554 -7.377 522 3HB ALA 74 3HB ALA 74 -1.929 -6.300 -8.153 523 H SER 75 H SER 75 -3.373 -7.955 -11.314 524 HA SER 75 HA SER 75 -4.671 -10.337 -10.543 525 1HB SER 75 2HB SER 75 -2.575 -9.737 -12.642 526 2HB SER 75 1HB SER 75 -3.525 -11.197 -12.540 527 HG SER 75 HG SER 75 -4.272 -9.435 -14.001 528 H VAL 76 H VAL 76 -3.929 -11.265 -8.694 529 HA VAL 76 HA VAL 76 -1.018 -11.491 -8.332 530 HB VAL 76 HB VAL 76 -1.447 -11.891 -5.967 531 1HG1 VAL 76 1HG1 VAL 76 -2.598 -9.697 -5.420 532 2HG1 VAL 76 2HG1 VAL 76 -2.833 -9.515 -7.156 533 3HG1 VAL 76 3HG1 VAL 76 -1.200 -9.603 -6.497 534 1HG2 VAL 76 1HG2 VAL 76 -3.631 -11.852 -4.994 535 2HG2 VAL 76 2HG2 VAL 76 -3.613 -13.069 -6.269 536 3HG2 VAL 76 3HG2 VAL 76 -4.375 -11.509 -6.556 537 H LYS 77 H LYS 77 -0.150 -13.534 -7.523 538 HA LYS 77 HA LYS 77 -1.835 -15.829 -8.269 539 1HB LYS 77 2HB LYS 77 -0.082 -16.909 -9.355 540 2HB LYS 77 1HB LYS 77 0.110 -15.239 -9.852 541 1HG LYS 77 2HG LYS 77 1.700 -16.591 -7.681 542 2HG LYS 77 1HG LYS 77 2.239 -16.357 -9.343 543 1HD LYS 77 2HD LYS 77 1.998 -13.894 -8.989 544 2HD LYS 77 1HD LYS 77 1.654 -14.227 -7.289 545 1HE LYS 77 2HE LYS 77 4.182 -14.924 -8.783 546 2HE LYS 77 1HE LYS 77 3.996 -13.660 -7.568 547 1HZ LYS 77 1HZ LYS 77 5.020 -15.771 -6.757 548 2HZ LYS 77 2HZ LYS 77 3.528 -16.535 -7.004 549 3HZ LYS 77 3HZ LYS 77 3.653 -15.274 -5.882 550 H GLY 78 H GLY 78 -0.984 -14.377 -5.700 551 1HA GLY 78 2HA GLY 78 -1.296 -16.328 -3.864 552 2HA GLY 78 1HA GLY 78 0.424 -16.415 -4.221 553 H ILE 79 H ILE 79 -1.303 -15.511 -1.856 554 HA ILE 79 HA ILE 79 0.533 -13.601 -0.892 555 HB ILE 79 HB ILE 79 -0.707 -12.027 -2.290 556 1HG1 ILE 79 2HG1 ILE 79 -1.369 -11.637 0.632 557 2HG1 ILE 79 1HG1 ILE 79 0.190 -11.278 -0.094 558 1HG2 ILE 79 1HG2 ILE 79 -3.099 -11.515 -1.622 559 2HG2 ILE 79 2HG2 ILE 79 -3.090 -13.075 -0.800 560 3HG2 ILE 79 3HG2 ILE 79 -2.831 -12.994 -2.544 561 1HD1 ILE 79 1HD1 ILE 79 -2.438 -9.917 -0.606 562 2HD1 ILE 79 2HD1 ILE 79 -0.999 -9.648 -1.579 563 3HD1 ILE 79 3HD1 ILE 79 -0.989 -9.236 0.133 564 H LYS 80 H LYS 80 0.187 -13.096 1.272 565 HA LYS 80 HA LYS 80 -1.943 -14.563 2.655 566 1HB LYS 80 2HB LYS 80 0.050 -15.965 2.668 567 2HB LYS 80 1HB LYS 80 1.011 -14.632 3.283 568 1HG LYS 80 2HG LYS 80 0.503 -16.257 5.002 569 2HG LYS 80 1HG LYS 80 -0.206 -14.681 5.372 570 1HD LYS 80 2HD LYS 80 -1.748 -16.559 5.857 571 2HD LYS 80 1HD LYS 80 -2.390 -15.442 4.655 572 1HE LYS 80 2HE LYS 80 -1.839 -16.953 2.872 573 2HE LYS 80 1HE LYS 80 -0.986 -18.022 3.984 574 1HZ LYS 80 1HZ LYS 80 -3.885 -17.422 4.234 575 2HZ LYS 80 2HZ LYS 80 -3.003 -18.657 4.999 576 3HZ LYS 80 3HZ LYS 80 -3.288 -18.723 3.329 577 H GLU 81 H GLU 81 0.741 -12.281 2.982 578 HA GLU 81 HA GLU 81 -1.017 -10.403 4.320 579 1HB GLU 81 2HB GLU 81 0.428 -10.077 6.238 580 2HB GLU 81 1HB GLU 81 -0.061 -11.760 6.134 581 1HG GLU 81 2HG GLU 81 2.091 -12.360 5.203 582 2HG GLU 81 1HG GLU 81 2.598 -10.672 5.270 583 H PHE 82 H PHE 82 0.506 -8.246 4.785 584 HA PHE 82 HA PHE 82 2.691 -7.997 2.950 585 1HB PHE 82 2HB PHE 82 1.677 -6.579 1.254 586 2HB PHE 82 1HB PHE 82 0.933 -8.169 1.267 587 HD1 PHE 82 HD1 PHE 82 0.453 -4.618 1.810 588 HD2 PHE 82 HD2 PHE 82 -1.373 -8.450 2.029 589 HE1 PHE 82 HE1 PHE 82 -1.759 -3.549 1.927 590 HE2 PHE 82 HE2 PHE 82 -3.591 -7.392 2.151 591 HZ PHE 82 HZ PHE 82 -3.784 -4.936 2.099 592 H TYR 83 H TYR 83 3.363 -5.775 2.616 593 HA TYR 83 HA TYR 83 2.077 -3.740 4.204 594 1HB TYR 83 2HB TYR 83 4.370 -2.952 5.041 595 2HB TYR 83 1HB TYR 83 3.619 -4.301 5.869 596 HD1 TYR 83 HD1 TYR 83 5.738 -4.127 2.787 597 HD2 TYR 83 HD2 TYR 83 5.264 -5.646 6.720 598 HE1 TYR 83 HE1 TYR 83 7.851 -5.365 2.552 599 HE2 TYR 83 HE2 TYR 83 7.359 -6.908 6.497 600 HH TYR 83 HH TYR 83 8.783 -7.819 4.704 601 H ILE 84 H ILE 84 2.441 -1.653 3.376 602 HA ILE 84 HA ILE 84 3.200 -1.820 0.572 603 HB ILE 84 HB ILE 84 2.064 0.610 1.952 604 1HG1 ILE 84 2HG1 ILE 84 0.475 -1.146 2.387 605 2HG1 ILE 84 1HG1 ILE 84 -0.153 -0.174 1.060 606 1HG2 ILE 84 1HG2 ILE 84 1.209 1.025 -0.383 607 2HG2 ILE 84 2HG2 ILE 84 2.244 -0.310 -0.907 608 3HG2 ILE 84 3HG2 ILE 84 2.956 1.130 -0.176 609 1HD1 ILE 84 1HD1 ILE 84 1.211 -2.836 0.811 610 2HD1 ILE 84 2HD1 ILE 84 0.624 -1.854 -0.530 611 3HD1 ILE 84 3HD1 ILE 84 -0.514 -2.518 0.643 612 H LYS 85 H LYS 85 4.815 -0.684 -0.387 613 HA LYS 85 HA LYS 85 6.823 0.389 1.460 614 1HB LYS 85 2HB LYS 85 7.040 -0.615 -1.380 615 2HB LYS 85 1HB LYS 85 8.356 0.197 -0.539 616 1HG LYS 85 2HG LYS 85 7.014 -2.285 0.468 617 2HG LYS 85 1HG LYS 85 8.471 -2.300 -0.532 618 1HD LYS 85 2HD LYS 85 9.554 -0.860 1.211 619 2HD LYS 85 1HD LYS 85 8.125 -1.105 2.216 620 1HE LYS 85 2HE LYS 85 9.761 -2.675 2.926 621 2HE LYS 85 1HE LYS 85 8.537 -3.572 2.029 622 1HZ LYS 85 1HZ LYS 85 11.083 -2.625 0.830 623 2HZ LYS 85 2HZ LYS 85 9.970 -3.712 0.155 624 3HZ LYS 85 3HZ LYS 85 10.887 -4.165 1.505 625 H TYR 86 H TYR 86 6.644 2.414 1.755 626 HA TYR 86 HA TYR 86 5.505 4.146 -0.283 627 1HB TYR 86 2HB TYR 86 4.760 4.262 2.091 628 2HB TYR 86 1HB TYR 86 6.379 4.778 2.547 629 HD1 TYR 86 HD1 TYR 86 4.566 5.886 -0.476 630 HD2 TYR 86 HD2 TYR 86 5.839 6.898 3.449 631 HE1 TYR 86 HE1 TYR 86 3.920 8.213 -0.862 632 HE2 TYR 86 HE2 TYR 86 5.194 9.236 3.060 633 HH TYR 86 HH TYR 86 3.233 10.225 0.619 634 H GLU 87 H GLU 87 6.969 4.629 -1.826 635 HA GLU 87 HA GLU 87 9.692 5.335 -1.005 636 1HB GLU 87 2HB GLU 87 9.213 3.488 -2.716 637 2HB GLU 87 1HB GLU 87 8.740 4.780 -3.811 638 1HG GLU 87 2HG GLU 87 10.972 5.769 -3.571 639 2HG GLU 87 1HG GLU 87 11.427 4.422 -2.529 640 H VAL 88 H VAL 88 10.034 7.459 -0.816 641 HA VAL 88 HA VAL 88 8.551 9.267 -2.609 642 HB VAL 88 HB VAL 88 9.628 10.092 0.063 643 1HG1 VAL 88 1HG1 VAL 88 8.403 12.018 -0.261 644 2HG1 VAL 88 2HG1 VAL 88 7.301 11.246 -1.393 645 3HG1 VAL 88 3HG1 VAL 88 8.939 11.648 -1.894 646 1HG2 VAL 88 1HG2 VAL 88 8.103 8.792 1.042 647 2HG2 VAL 88 2HG2 VAL 88 7.353 8.397 -0.498 648 3HG2 VAL 88 3HG2 VAL 88 6.888 9.871 0.354 649 H SER 89 H SER 89 9.960 9.833 -4.123 650 HA SER 89 HA SER 89 11.799 10.633 -5.142 651 1HB SER 89 2HB SER 89 11.032 12.636 -4.102 652 2HB SER 89 1HB SER 89 11.790 12.197 -2.581 653 HG SER 89 HG SER 89 13.828 12.315 -3.797 654 H GLY 90 H GLY 90 12.168 8.209 -3.509 655 1HA GLY 90 2HA GLY 90 14.310 7.034 -3.479 656 2HA GLY 90 1HA GLY 90 15.033 8.505 -2.859 657 H LYS 91 H LYS 91 12.414 8.664 -1.092 658 HA LYS 91 HA LYS 91 13.740 7.410 1.157 659 1HB LYS 91 2HB LYS 91 11.522 9.331 0.830 660 2HB LYS 91 1HB LYS 91 11.440 8.289 2.238 661 1HG LYS 91 2HG LYS 91 13.701 10.140 1.520 662 2HG LYS 91 1HG LYS 91 12.510 10.351 2.805 663 1HD LYS 91 2HD LYS 91 13.324 8.339 3.912 664 2HD LYS 91 1HD LYS 91 14.514 8.110 2.630 665 1HE LYS 91 2HE LYS 91 14.363 10.487 4.477 666 2HE LYS 91 1HE LYS 91 15.482 9.137 4.645 667 1HZ LYS 91 1HZ LYS 91 16.306 9.726 2.376 668 2HZ LYS 91 2HZ LYS 91 16.639 10.871 3.581 669 3HZ LYS 91 3HZ LYS 91 15.388 11.150 2.471 670 H THR 92 H THR 92 12.103 6.461 2.815 671 HA THR 92 HA THR 92 10.209 4.662 1.583 672 HB THR 92 HB THR 92 12.487 3.477 3.134 673 HG1 THR 92 HG1 THR 92 12.208 4.063 0.433 674 1HG2 THR 92 1HG2 THR 92 10.210 2.252 1.585 675 2HG2 THR 92 2HG2 THR 92 10.522 2.131 3.316 676 3HG2 THR 92 3HG2 THR 92 11.604 1.345 2.168 677 H TYR 93 H TYR 93 8.691 4.032 2.872 678 HA TYR 93 HA TYR 93 9.005 3.911 5.752 679 1HB TYR 93 2HB TYR 93 6.614 5.334 4.540 680 2HB TYR 93 1HB TYR 93 6.933 5.083 6.250 681 HD1 TYR 93 HD1 TYR 93 7.532 7.082 3.389 682 HD2 TYR 93 HD2 TYR 93 8.760 6.381 7.369 683 HE1 TYR 93 HE1 TYR 93 8.641 9.298 3.413 684 HE2 TYR 93 HE2 TYR 93 9.870 8.577 7.439 685 HH TYR 93 HH TYR 93 10.850 10.198 5.798 686 H TYR 94 H TYR 94 6.382 3.222 6.334 687 HA TYR 94 HA TYR 94 5.797 0.956 4.592 688 1HB TYR 94 2HB TYR 94 6.447 0.518 7.510 689 2HB TYR 94 1HB TYR 94 6.023 -0.711 6.330 690 HD1 TYR 94 HD1 TYR 94 7.689 -0.888 4.268 691 HD2 TYR 94 HD2 TYR 94 8.658 0.869 8.023 692 HE1 TYR 94 HE1 TYR 94 10.072 -1.292 3.836 693 HE2 TYR 94 HE2 TYR 94 11.047 0.483 7.590 694 HH TYR 94 HH TYR 94 12.419 -1.123 6.219 695 H ASP 95 H ASP 95 3.696 0.370 4.635 696 HA ASP 95 HA ASP 95 2.164 0.968 7.072 697 1HB ASP 95 2HB ASP 95 1.376 2.504 5.319 698 2HB ASP 95 1HB ASP 95 1.077 1.132 4.251 699 H ASN 96 H ASN 96 1.741 -0.888 8.002 700 HA ASN 96 HA ASN 96 0.950 -3.146 6.301 701 1HB ASN 96 2HB ASN 96 2.192 -4.690 7.716 702 2HB ASN 96 1HB ASN 96 3.259 -3.492 7.001 703 1HD2 ASN 96 1HD2 ASN 96 3.863 -5.090 9.197 704 2HD2 ASN 96 2HD2 ASN 96 4.113 -4.043 10.560 705 H ASN 97 H ASN 97 0.719 -1.500 9.345 706 HA ASN 97 HA ASN 97 -1.916 -1.474 9.690 707 1HB ASN 97 2HB ASN 97 -2.625 -3.290 11.114 708 2HB ASN 97 1HB ASN 97 -1.958 -3.984 9.653 709 1HD2 ASN 97 1HD2 ASN 97 -2.397 -4.977 12.390 710 2HD2 ASN 97 2HD2 ASN 97 -0.859 -5.591 12.904 711 H ASN 98 H ASN 98 0.991 -2.418 11.392 712 HA ASN 98 HA ASN 98 1.470 -0.022 12.630 713 1HB ASN 98 2HB ASN 98 0.859 -0.297 14.940 714 2HB ASN 98 1HB ASN 98 -0.595 -0.502 13.980 715 1HD2 ASN 98 1HD2 ASN 98 0.089 -1.368 16.685 716 2HD2 ASN 98 2HD2 ASN 98 -0.170 -3.079 16.708 717 H SER 99 H SER 99 1.599 -3.537 12.905 718 HA SER 99 HA SER 99 4.374 -3.591 12.504 719 1HB SER 99 2HB SER 99 5.055 -4.458 14.770 720 2HB SER 99 1HB SER 99 4.634 -2.747 14.725 721 HG SER 99 HG SER 99 3.221 -4.917 15.833 722 H ALA 100 H ALA 100 1.797 -5.095 11.789 723 HA ALA 100 HA ALA 100 2.872 -7.778 12.346 724 1HB ALA 100 1HB ALA 100 0.361 -8.437 12.618 725 2HB ALA 100 2HB ALA 100 0.209 -6.759 13.124 726 3HB ALA 100 3HB ALA 100 1.304 -7.838 13.980 727 H ASN 101 H ASN 101 1.145 -5.705 10.156 728 HA ASN 101 HA ASN 101 1.201 -5.919 7.815 729 1HB ASN 101 2HB ASN 101 1.760 -8.849 8.265 730 2HB ASN 101 1HB ASN 101 1.660 -8.055 6.695 731 1HD2 ASN 101 1HD2 ASN 101 3.913 -9.467 7.747 732 2HD2 ASN 101 2HD2 ASN 101 5.204 -8.313 7.894 733 H TYR 102 H TYR 102 -0.471 -6.132 6.421 734 HA TYR 102 HA TYR 102 -2.999 -6.798 7.564 735 1HB TYR 102 2HB TYR 102 -2.260 -6.190 4.689 736 2HB TYR 102 1HB TYR 102 -3.903 -6.319 5.300 737 HD1 TYR 102 HD1 TYR 102 -1.189 -4.130 4.660 738 HD2 TYR 102 HD2 TYR 102 -4.559 -4.673 7.198 739 HE1 TYR 102 HE1 TYR 102 -1.163 -1.731 5.196 740 HE2 TYR 102 HE2 TYR 102 -4.543 -2.275 7.742 741 HH TYR 102 HH TYR 102 -2.305 -0.038 6.140 742 H GLN 103 H GLN 103 -3.819 -8.779 7.748 743 HA GLN 103 HA GLN 103 -2.811 -10.953 6.123 744 1HB GLN 103 2HB GLN 103 -4.658 -10.745 8.460 745 2HB GLN 103 1HB GLN 103 -4.812 -12.131 7.401 746 1HG GLN 103 2HG GLN 103 -3.422 -12.715 9.246 747 2HG GLN 103 1HG GLN 103 -2.449 -12.668 7.778 748 1HE2 GLN 103 1HE2 GLN 103 -1.013 -10.990 7.485 749 2HE2 GLN 103 2HE2 GLN 103 -0.419 -10.043 8.807 750 H VAL 104 H VAL 104 -3.703 -11.700 4.331 751 HA VAL 104 HA VAL 104 -6.023 -10.379 3.232 752 HB VAL 104 HB VAL 104 -4.488 -12.728 2.097 753 1HG1 VAL 104 1HG1 VAL 104 -5.327 -11.942 -0.059 754 2HG1 VAL 104 2HG1 VAL 104 -6.209 -10.646 0.750 755 3HG1 VAL 104 3HG1 VAL 104 -6.655 -12.328 1.036 756 1HG2 VAL 104 1HG2 VAL 104 -3.999 -9.776 1.722 757 2HG2 VAL 104 2HG2 VAL 104 -3.193 -11.064 0.829 758 3HG2 VAL 104 3HG2 VAL 104 -2.952 -10.911 2.572 759 H SER 105 H SER 105 -7.933 -11.516 2.532 760 HA SER 105 HA SER 105 -8.915 -13.274 4.552 761 1HB SER 105 2HB SER 105 -10.971 -13.204 2.939 762 2HB SER 105 1HB SER 105 -10.498 -11.742 3.808 763 HG SER 105 HG SER 105 -10.689 -12.098 1.182 764 H THR 106 H THR 106 -6.962 -14.726 3.676 765 HA THR 106 HA THR 106 -8.299 -16.961 2.393 766 HB THR 106 HB THR 106 -7.220 -15.976 0.488 767 HG1 THR 106 HG1 THR 106 -6.457 -17.844 -0.146 768 1HG2 THR 106 1HG2 THR 106 -5.595 -14.551 1.607 769 2HG2 THR 106 2HG2 THR 106 -4.807 -15.546 0.382 770 3HG2 THR 106 3HG2 THR 106 -4.660 -15.968 2.089 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -10.156 18.197 13.515 2 2H ALA 1 2H ALA 1 -9.862 19.753 12.914 3 3H ALA 1 3H ALA 1 -9.418 19.360 14.504 4 HA ALA 1 HA ALA 1 -7.468 19.385 13.183 5 1HB ALA 1 1HB ALA 1 -8.429 16.639 13.941 6 2HB ALA 1 2HB ALA 1 -7.366 17.720 14.843 7 3HB ALA 1 3HB ALA 1 -6.793 16.954 13.366 8 H SER 2 H SER 2 -6.221 18.082 11.551 9 HA SER 2 HA SER 2 -7.764 18.082 9.078 10 1HB SER 2 2HB SER 2 -4.781 17.766 9.493 11 2HB SER 2 1HB SER 2 -5.599 18.068 7.960 12 HG SER 2 HG SER 2 -6.365 19.948 9.675 13 H ILE 3 H ILE 3 -6.670 16.378 7.438 14 HA ILE 3 HA ILE 3 -7.611 13.857 8.016 15 HB ILE 3 HB ILE 3 -5.309 14.380 6.143 16 1HG1 ILE 3 2HG1 ILE 3 -6.999 16.053 5.681 17 2HG1 ILE 3 1HG1 ILE 3 -7.030 14.831 4.419 18 1HG2 ILE 3 1HG2 ILE 3 -7.556 12.379 6.027 19 2HG2 ILE 3 2HG2 ILE 3 -5.905 12.031 6.531 20 3HG2 ILE 3 3HG2 ILE 3 -6.235 12.531 4.872 21 1HD1 ILE 3 1HD1 ILE 3 -8.982 15.220 6.658 22 2HD1 ILE 3 2HD1 ILE 3 -8.936 13.773 5.661 23 3HD1 ILE 3 3HD1 ILE 3 -9.272 15.336 4.920 24 HA PRO 4 HA PRO 4 -2.995 12.399 8.865 25 1HB PRO 4 2HB PRO 4 -1.533 14.417 10.101 26 2HB PRO 4 1HB PRO 4 -1.316 13.844 8.447 27 1HG PRO 4 2HG PRO 4 -2.770 16.241 9.442 28 2HG PRO 4 1HG PRO 4 -1.855 16.017 7.939 29 1HD PRO 4 2HD PRO 4 -4.540 16.032 7.980 30 2HD PRO 4 1HD PRO 4 -3.621 15.001 6.865 31 H SER 5 H SER 5 -2.813 11.294 10.662 32 HA SER 5 HA SER 5 -3.076 12.370 13.277 33 1HB SER 5 2HB SER 5 -5.476 12.310 12.597 34 2HB SER 5 1HB SER 5 -5.328 10.575 12.326 35 HG SER 5 HG SER 5 -5.489 10.247 14.390 36 H SER 6 H SER 6 -3.508 9.388 11.361 37 HA SER 6 HA SER 6 -2.279 7.824 13.457 38 1HB SER 6 2HB SER 6 -3.258 7.007 10.711 39 2HB SER 6 1HB SER 6 -2.714 5.898 11.970 40 HG SER 6 HG SER 6 -4.944 6.046 12.082 41 H ALA 7 H ALA 7 -1.526 7.750 9.959 42 HA ALA 7 HA ALA 7 1.293 8.020 10.641 43 1HB ALA 7 1HB ALA 7 1.833 6.094 9.245 44 2HB ALA 7 2HB ALA 7 0.125 5.773 9.009 45 3HB ALA 7 3HB ALA 7 0.838 5.633 10.619 46 H SER 8 H SER 8 2.494 7.722 8.315 47 HA SER 8 HA SER 8 1.764 9.973 6.769 48 1HB SER 8 2HB SER 8 3.544 7.722 5.826 49 2HB SER 8 1HB SER 8 3.646 9.436 5.420 50 HG SER 8 HG SER 8 4.568 8.068 7.648 51 H VAL 9 H VAL 9 1.041 6.579 6.597 52 HA VAL 9 HA VAL 9 -0.759 7.074 4.368 53 HB VAL 9 HB VAL 9 1.038 6.253 3.116 54 1HG1 VAL 9 1HG1 VAL 9 2.168 4.067 3.848 55 2HG1 VAL 9 2HG1 VAL 9 1.566 4.476 5.452 56 3HG1 VAL 9 3HG1 VAL 9 2.650 5.579 4.606 57 1HG2 VAL 9 1HG2 VAL 9 -0.988 5.024 2.579 58 2HG2 VAL 9 2HG2 VAL 9 -0.607 3.822 3.812 59 3HG2 VAL 9 3HG2 VAL 9 0.429 3.990 2.396 60 H GLN 10 H GLN 10 -2.470 5.656 4.237 61 HA GLN 10 HA GLN 10 -2.824 3.685 6.368 62 1HB GLN 10 2HB GLN 10 -3.782 5.847 7.167 63 2HB GLN 10 1HB GLN 10 -4.829 5.876 5.756 64 1HG GLN 10 2HG GLN 10 -5.848 3.758 6.518 65 2HG GLN 10 1HG GLN 10 -4.859 3.844 7.974 66 1HE2 GLN 10 1HE2 GLN 10 -7.580 5.138 6.274 67 2HE2 GLN 10 2HE2 GLN 10 -8.191 6.109 7.570 68 H LEU 11 H LEU 11 -3.698 1.876 5.529 69 HA LEU 11 HA LEU 11 -4.336 1.711 2.781 70 1HB LEU 11 2HB LEU 11 -3.466 -0.183 4.050 71 2HB LEU 11 1HB LEU 11 -4.921 -0.208 5.029 72 HG LEU 11 HG LEU 11 -6.196 -0.626 2.832 73 1HD1 LEU 11 1HD1 LEU 11 -4.963 -1.527 1.006 74 2HD1 LEU 11 2HD1 LEU 11 -3.453 -1.473 1.909 75 3HD1 LEU 11 3HD1 LEU 11 -4.236 0.025 1.411 76 1HD2 LEU 11 1HD2 LEU 11 -6.063 -2.891 3.233 77 2HD2 LEU 11 2HD2 LEU 11 -5.431 -2.244 4.743 78 3HD2 LEU 11 3HD2 LEU 11 -4.327 -2.861 3.514 79 H ASP 12 H ASP 12 -6.249 1.629 1.728 80 HA ASP 12 HA ASP 12 -8.623 2.549 3.117 81 1HB ASP 12 2HB ASP 12 -8.075 3.393 0.863 82 2HB ASP 12 1HB ASP 12 -8.205 1.771 0.226 83 H SER 13 H SER 13 -8.033 -0.001 0.781 84 HA SER 13 HA SER 13 -9.003 -2.170 2.312 85 1HB SER 13 2HB SER 13 -11.211 -2.503 1.224 86 2HB SER 13 1HB SER 13 -11.166 -1.042 2.208 87 HG SER 13 HG SER 13 -10.916 0.184 0.321 88 H TYR 14 H TYR 14 -9.483 -4.068 1.052 89 HA TYR 14 HA TYR 14 -8.598 -4.189 -1.701 90 1HB TYR 14 2HB TYR 14 -6.763 -5.757 -1.215 91 2HB TYR 14 1HB TYR 14 -6.460 -4.186 -0.474 92 HD1 TYR 14 HD1 TYR 14 -7.305 -7.660 0.137 93 HD2 TYR 14 HD2 TYR 14 -6.517 -3.925 1.921 94 HE1 TYR 14 HE1 TYR 14 -7.048 -8.786 2.294 95 HE2 TYR 14 HE2 TYR 14 -6.257 -5.004 4.119 96 HH TYR 14 HH TYR 14 -5.978 -8.393 4.474 97 H ASN 15 H ASN 15 -9.058 -6.299 -2.599 98 HA ASN 15 HA ASN 15 -10.665 -8.027 -0.840 99 1HB ASN 15 2HB ASN 15 -11.377 -7.175 -3.658 100 2HB ASN 15 1HB ASN 15 -12.171 -8.484 -2.804 101 1HD2 ASN 15 1HD2 ASN 15 -14.157 -7.603 -2.799 102 2HD2 ASN 15 2HD2 ASN 15 -14.585 -6.186 -1.895 103 H TYR 16 H TYR 16 -10.822 -10.206 -1.528 104 HA TYR 16 HA TYR 16 -8.905 -11.019 -3.609 105 1HB TYR 16 2HB TYR 16 -8.477 -11.724 -1.103 106 2HB TYR 16 1HB TYR 16 -9.773 -12.869 -1.428 107 HD1 TYR 16 HD1 TYR 16 -6.548 -11.732 -2.931 108 HD2 TYR 16 HD2 TYR 16 -9.211 -14.976 -2.213 109 HE1 TYR 16 HE1 TYR 16 -4.917 -13.283 -3.909 110 HE2 TYR 16 HE2 TYR 16 -7.585 -16.534 -3.205 111 HH TYR 16 HH TYR 16 -5.670 -16.425 -4.823 112 H ASP 17 H ASP 17 -9.697 -12.445 -5.092 113 HA ASP 17 HA ASP 17 -12.363 -13.490 -4.872 114 1HB ASP 17 2HB ASP 17 -12.837 -11.179 -5.526 115 2HB ASP 17 1HB ASP 17 -11.746 -11.336 -6.900 116 H GLY 18 H GLY 18 -12.294 -15.447 -5.742 117 1HA GLY 18 2HA GLY 18 -11.394 -17.273 -6.824 118 2HA GLY 18 1HA GLY 18 -11.002 -16.167 -8.143 119 H SER 19 H SER 19 -8.912 -15.554 -8.425 120 HA SER 19 HA SER 19 -7.252 -15.411 -6.024 121 1HB SER 19 2HB SER 19 -6.720 -17.448 -7.457 122 2HB SER 19 1HB SER 19 -6.255 -16.321 -8.728 123 HG SER 19 HG SER 19 -4.591 -15.583 -7.464 124 H THR 20 H THR 20 -7.736 -13.170 -6.000 125 HA THR 20 HA THR 20 -6.324 -11.594 -7.998 126 HB THR 20 HB THR 20 -9.243 -11.101 -7.368 127 HG1 THR 20 HG1 THR 20 -8.000 -12.596 -9.262 128 1HG2 THR 20 1HG2 THR 20 -7.932 -9.026 -7.699 129 2HG2 THR 20 2HG2 THR 20 -9.112 -9.294 -8.982 130 3HG2 THR 20 3HG2 THR 20 -7.407 -9.636 -9.269 131 H PHE 21 H PHE 21 -5.460 -9.741 -7.210 132 HA PHE 21 HA PHE 21 -6.067 -8.990 -4.417 133 1HB PHE 21 2HB PHE 21 -3.799 -9.866 -4.746 134 2HB PHE 21 1HB PHE 21 -3.520 -8.697 -6.024 135 HD1 PHE 21 HD1 PHE 21 -4.935 -8.360 -2.646 136 HD2 PHE 21 HD2 PHE 21 -1.858 -7.289 -5.333 137 HE1 PHE 21 HE1 PHE 21 -3.979 -6.868 -0.951 138 HE2 PHE 21 HE2 PHE 21 -0.900 -5.775 -3.654 139 HZ PHE 21 HZ PHE 21 -1.965 -5.562 -1.446 140 H SER 22 H SER 22 -7.504 -7.436 -4.668 141 HA SER 22 HA SER 22 -6.828 -5.179 -6.442 142 1HB SER 22 2HB SER 22 -9.339 -4.935 -6.775 143 2HB SER 22 1HB SER 22 -8.604 -6.349 -7.545 144 HG SER 22 HG SER 22 -10.430 -7.048 -6.482 145 H GLY 23 H GLY 23 -7.472 -3.095 -5.703 146 1HA GLY 23 2HA GLY 23 -9.039 -2.497 -3.537 147 2HA GLY 23 1HA GLY 23 -7.466 -2.869 -2.851 148 H LYS 24 H LYS 24 -7.544 -0.666 -2.092 149 HA LYS 24 HA LYS 24 -6.204 1.107 -3.912 150 1HB LYS 24 2HB LYS 24 -7.872 2.447 -4.509 151 2HB LYS 24 1HB LYS 24 -8.959 1.199 -3.914 152 1HG LYS 24 2HG LYS 24 -9.063 2.294 -1.728 153 2HG LYS 24 1HG LYS 24 -7.976 3.558 -2.319 154 1HD LYS 24 2HD LYS 24 -10.232 4.378 -2.456 155 2HD LYS 24 1HD LYS 24 -9.642 4.088 -4.094 156 1HE LYS 24 2HE LYS 24 -11.786 3.183 -4.140 157 2HE LYS 24 1HE LYS 24 -10.766 1.776 -3.845 158 1HZ LYS 24 1HZ LYS 24 -12.408 3.262 -1.878 159 2HZ LYS 24 2HZ LYS 24 -11.240 2.120 -1.419 160 3HZ LYS 24 3HZ LYS 24 -12.575 1.643 -2.353 161 H ILE 25 H ILE 25 -5.691 3.262 -2.703 162 HA ILE 25 HA ILE 25 -5.188 2.616 0.124 163 HB ILE 25 HB ILE 25 -3.008 3.475 -1.774 164 1HG1 ILE 25 2HG1 ILE 25 -3.616 0.718 -0.678 165 2HG1 ILE 25 1HG1 ILE 25 -3.782 1.223 -2.354 166 1HG2 ILE 25 1HG2 ILE 25 -2.580 4.114 0.523 167 2HG2 ILE 25 2HG2 ILE 25 -1.506 2.792 0.066 168 3HG2 ILE 25 3HG2 ILE 25 -2.919 2.473 1.071 169 1HD1 ILE 25 1HD1 ILE 25 -1.208 1.056 -0.809 170 2HD1 ILE 25 2HD1 ILE 25 -1.372 1.559 -2.493 171 3HD1 ILE 25 3HD1 ILE 25 -1.778 -0.093 -2.022 172 H TYR 26 H TYR 26 -4.270 4.441 1.347 173 HA TYR 26 HA TYR 26 -5.152 7.080 0.361 174 1HB TYR 26 2HB TYR 26 -6.796 5.739 1.825 175 2HB TYR 26 1HB TYR 26 -5.652 5.989 3.132 176 HD1 TYR 26 HD1 TYR 26 -5.031 8.537 3.549 177 HD2 TYR 26 HD2 TYR 26 -8.547 7.166 1.600 178 HE1 TYR 26 HE1 TYR 26 -6.180 10.627 4.160 179 HE2 TYR 26 HE2 TYR 26 -9.704 9.255 2.182 180 HH TYR 26 HH TYR 26 -9.485 11.024 4.003 181 H VAL 27 H VAL 27 -3.144 8.210 0.345 182 HA VAL 27 HA VAL 27 -1.494 7.989 2.768 183 HB VAL 27 HB VAL 27 0.302 7.054 1.821 184 1HG1 VAL 27 1HG1 VAL 27 -0.044 5.729 -0.232 185 2HG1 VAL 27 2HG1 VAL 27 -1.586 6.550 -0.466 186 3HG1 VAL 27 3HG1 VAL 27 -1.335 5.534 0.954 187 1HG2 VAL 27 1HG2 VAL 27 1.132 8.948 0.718 188 2HG2 VAL 27 2HG2 VAL 27 -0.137 8.904 -0.500 189 3HG2 VAL 27 3HG2 VAL 27 1.128 7.676 -0.505 190 H LYS 28 H LYS 28 -0.060 9.762 3.154 191 HA LYS 28 HA LYS 28 -1.007 12.272 2.142 192 1HB LYS 28 2HB LYS 28 0.453 13.303 3.710 193 2HB LYS 28 1HB LYS 28 -0.191 11.876 4.510 194 1HG LYS 28 2HG LYS 28 1.881 10.666 3.985 195 2HG LYS 28 1HG LYS 28 2.521 12.118 3.226 196 1HD LYS 28 2HD LYS 28 1.662 11.982 6.111 197 2HD LYS 28 1HD LYS 28 3.312 11.686 5.571 198 1HE LYS 28 2HE LYS 28 3.300 13.926 6.252 199 2HE LYS 28 1HE LYS 28 3.196 13.995 4.495 200 1HZ LYS 28 1HZ LYS 28 0.754 14.061 6.153 201 2HZ LYS 28 2HZ LYS 28 0.984 14.644 4.575 202 3HZ LYS 28 3HZ LYS 28 1.652 15.472 5.889 203 H ASN 29 H ASN 29 0.254 13.821 0.979 204 HA ASN 29 HA ASN 29 2.406 12.582 -0.594 205 1HB ASN 29 2HB ASN 29 0.437 13.595 -1.829 206 2HB ASN 29 1HB ASN 29 0.989 15.171 -1.260 207 1HD2 ASN 29 1HD2 ASN 29 1.389 15.962 -3.200 208 2HD2 ASN 29 2HD2 ASN 29 2.697 15.427 -4.171 209 H ILE 30 H ILE 30 4.420 13.110 -0.156 210 HA ILE 30 HA ILE 30 4.968 15.547 1.391 211 HB ILE 30 HB ILE 30 6.472 12.954 1.172 212 1HG1 ILE 30 2HG1 ILE 30 5.885 14.242 3.763 213 2HG1 ILE 30 1HG1 ILE 30 4.479 13.687 2.855 214 1HG2 ILE 30 1HG2 ILE 30 7.406 15.482 2.523 215 2HG2 ILE 30 2HG2 ILE 30 8.084 14.798 1.047 216 3HG2 ILE 30 3HG2 ILE 30 8.213 13.917 2.569 217 1HD1 ILE 30 1HD1 ILE 30 6.849 12.001 3.603 218 2HD1 ILE 30 2HD1 ILE 30 5.409 11.482 2.731 219 3HD1 ILE 30 3HD1 ILE 30 5.277 12.003 4.408 220 H ALA 31 H ALA 31 6.363 13.476 -1.088 221 HA ALA 31 HA ALA 31 7.083 15.799 -2.662 222 1HB ALA 31 1HB ALA 31 9.186 15.074 -1.725 223 2HB ALA 31 2HB ALA 31 9.119 14.522 -3.399 224 3HB ALA 31 3HB ALA 31 8.816 13.388 -2.085 225 H TYR 32 H TYR 32 7.055 15.208 -4.942 226 HA TYR 32 HA TYR 32 4.659 13.892 -5.441 227 1HB TYR 32 2HB TYR 32 6.840 14.993 -7.073 228 2HB TYR 32 1HB TYR 32 5.556 14.089 -7.885 229 HD1 TYR 32 HD1 TYR 32 3.174 14.859 -6.410 230 HD2 TYR 32 HD2 TYR 32 6.516 17.242 -7.551 231 HE1 TYR 32 HE1 TYR 32 1.758 16.869 -6.357 232 HE2 TYR 32 HE2 TYR 32 5.107 19.255 -7.494 233 HH TYR 32 HH TYR 32 2.015 19.306 -6.084 234 H SER 33 H SER 33 7.589 12.847 -7.203 235 HA SER 33 HA SER 33 6.961 10.574 -8.293 236 1HB SER 33 2HB SER 33 9.389 10.729 -6.488 237 2HB SER 33 1HB SER 33 9.181 9.639 -7.870 238 HG SER 33 HG SER 33 9.331 11.321 -9.252 239 H LYS 34 H LYS 34 5.685 8.814 -7.745 240 HA LYS 34 HA LYS 34 4.962 9.125 -4.971 241 1HB LYS 34 2HB LYS 34 3.297 8.137 -7.288 242 2HB LYS 34 1HB LYS 34 2.736 8.472 -5.651 243 1HG LYS 34 2HG LYS 34 3.351 10.798 -5.892 244 2HG LYS 34 1HG LYS 34 3.989 10.470 -7.498 245 1HD LYS 34 2HD LYS 34 1.726 9.851 -8.244 246 2HD LYS 34 1HD LYS 34 1.108 10.238 -6.633 247 1HE LYS 34 2HE LYS 34 2.104 12.542 -6.952 248 2HE LYS 34 1HE LYS 34 2.352 12.104 -8.641 249 1HZ LYS 34 1HZ LYS 34 -0.033 11.727 -8.836 250 2HZ LYS 34 2HZ LYS 34 0.296 13.316 -8.351 251 3HZ LYS 34 3HZ LYS 34 -0.250 12.179 -7.216 252 H LYS 35 H LYS 35 5.655 7.922 -3.810 253 HA LYS 35 HA LYS 35 6.368 5.467 -3.328 254 1HB LYS 35 2HB LYS 35 5.352 6.275 -1.136 255 2HB LYS 35 1HB LYS 35 6.512 7.339 -1.943 256 1HG LYS 35 2HG LYS 35 4.142 8.066 -3.113 257 2HG LYS 35 1HG LYS 35 3.643 7.690 -1.479 258 1HD LYS 35 2HD LYS 35 5.290 9.297 -0.616 259 2HD LYS 35 1HD LYS 35 5.823 9.631 -2.264 260 1HE LYS 35 2HE LYS 35 3.036 10.122 -1.210 261 2HE LYS 35 1HE LYS 35 4.286 11.353 -1.364 262 1HZ LYS 35 1HZ LYS 35 4.312 10.934 -3.771 263 2HZ LYS 35 2HZ LYS 35 2.793 11.452 -3.231 264 3HZ LYS 35 3HZ LYS 35 3.045 9.819 -3.591 265 H VAL 36 H VAL 36 4.217 4.283 -4.734 266 HA VAL 36 HA VAL 36 3.462 2.886 -2.319 267 HB VAL 36 HB VAL 36 1.487 3.433 -4.518 268 1HG1 VAL 36 1HG1 VAL 36 0.072 1.808 -3.182 269 2HG1 VAL 36 2HG1 VAL 36 1.566 1.292 -2.432 270 3HG1 VAL 36 3HG1 VAL 36 1.343 1.093 -4.162 271 1HG2 VAL 36 1HG2 VAL 36 1.585 5.024 -2.674 272 2HG2 VAL 36 2HG2 VAL 36 1.422 3.715 -1.517 273 3HG2 VAL 36 3HG2 VAL 36 0.088 4.094 -2.609 274 H THR 37 H THR 37 4.498 1.137 -2.318 275 HA THR 37 HA THR 37 4.327 -0.575 -4.696 276 HB THR 37 HB THR 37 6.612 -1.489 -3.881 277 HG1 THR 37 HG1 THR 37 6.546 1.127 -2.748 278 1HG2 THR 37 1HG2 THR 37 6.018 0.956 -5.463 279 2HG2 THR 37 2HG2 THR 37 6.623 -0.611 -6.006 280 3HG2 THR 37 3HG2 THR 37 7.705 0.518 -5.185 281 H VAL 38 H VAL 38 2.910 -1.999 -4.095 282 HA VAL 38 HA VAL 38 2.512 -2.781 -1.360 283 HB VAL 38 HB VAL 38 1.376 -4.036 -3.863 284 1HG1 VAL 38 1HG1 VAL 38 -0.113 -5.205 -2.502 285 2HG1 VAL 38 2HG1 VAL 38 0.199 -4.192 -1.106 286 3HG1 VAL 38 3HG1 VAL 38 1.418 -5.348 -1.647 287 1HG2 VAL 38 1HG2 VAL 38 -0.194 -2.286 -2.065 288 2HG2 VAL 38 2HG2 VAL 38 -0.400 -2.591 -3.783 289 3HG2 VAL 38 3HG2 VAL 38 0.892 -1.526 -3.221 290 H VAL 39 H VAL 39 4.088 -3.943 -0.470 291 HA VAL 39 HA VAL 39 5.058 -6.273 -1.974 292 HB VAL 39 HB VAL 39 6.802 -6.442 -0.120 293 1HG1 VAL 39 1HG1 VAL 39 6.766 -4.116 -2.031 294 2HG1 VAL 39 2HG1 VAL 39 7.440 -5.723 -2.303 295 3HG1 VAL 39 3HG1 VAL 39 8.200 -4.633 -1.143 296 1HG2 VAL 39 1HG2 VAL 39 7.331 -4.346 1.051 297 2HG2 VAL 39 2HG2 VAL 39 5.756 -4.987 1.516 298 3HG2 VAL 39 3HG2 VAL 39 5.860 -3.625 0.401 299 H TYR 40 H TYR 40 3.972 -8.031 -1.588 300 HA TYR 40 HA TYR 40 2.671 -8.243 1.026 301 1HB TYR 40 2HB TYR 40 1.100 -9.812 -0.020 302 2HB TYR 40 1HB TYR 40 1.075 -8.232 -0.774 303 HD1 TYR 40 HD1 TYR 40 1.149 -8.086 -3.058 304 HD2 TYR 40 HD2 TYR 40 2.533 -11.648 -1.240 305 HE1 TYR 40 HE1 TYR 40 1.288 -9.147 -5.270 306 HE2 TYR 40 HE2 TYR 40 2.709 -12.714 -3.450 307 HH TYR 40 HH TYR 40 2.545 -10.976 -6.344 308 H ALA 41 H ALA 41 2.681 -10.151 2.170 309 HA ALA 41 HA ALA 41 4.981 -11.841 1.799 310 1HB ALA 41 1HB ALA 41 4.620 -12.390 3.927 311 2HB ALA 41 2HB ALA 41 3.027 -13.028 3.537 312 3HB ALA 41 3HB ALA 41 3.218 -11.319 3.936 313 H ASP 42 H ASP 42 4.583 -12.358 -0.263 314 HA ASP 42 HA ASP 42 2.485 -13.657 -1.458 315 1HB ASP 42 2HB ASP 42 4.075 -14.631 -3.029 316 2HB ASP 42 1HB ASP 42 4.516 -12.970 -2.647 317 H GLY 43 H GLY 43 3.090 -16.099 -2.423 318 1HA GLY 43 2HA GLY 43 1.901 -17.791 -0.578 319 2HA GLY 43 1HA GLY 43 2.771 -18.329 -2.004 320 H SER 44 H SER 44 5.309 -17.103 -0.992 321 HA SER 44 HA SER 44 6.237 -19.443 0.353 322 1HB SER 44 2HB SER 44 7.602 -18.072 -1.238 323 2HB SER 44 1HB SER 44 7.658 -16.808 -0.006 324 HG SER 44 HG SER 44 8.540 -18.580 1.385 325 H ASP 45 H ASP 45 4.901 -16.487 1.376 326 HA ASP 45 HA ASP 45 4.314 -15.685 3.422 327 1HB ASP 45 2HB ASP 45 4.047 -18.282 3.828 328 2HB ASP 45 1HB ASP 45 5.483 -18.072 4.821 329 H ASN 46 H ASN 46 6.719 -15.035 2.218 330 HA ASN 46 HA ASN 46 8.350 -14.237 4.486 331 1HB ASN 46 2HB ASN 46 9.183 -16.499 3.471 332 2HB ASN 46 1HB ASN 46 9.717 -15.512 2.117 333 1HD2 ASN 46 1HD2 ASN 46 11.313 -17.085 3.913 334 2HD2 ASN 46 2HD2 ASN 46 12.404 -16.001 4.709 335 H TRP 47 H TRP 47 9.959 -12.551 3.751 336 HA TRP 47 HA TRP 47 8.809 -11.108 1.448 337 1HB TRP 47 2HB TRP 47 10.205 -9.766 3.724 338 2HB TRP 47 1HB TRP 47 9.119 -9.058 2.546 339 HD1 TRP 47 HD1 TRP 47 9.067 -11.372 5.596 340 HE1 TRP 47 HE1 TRP 47 6.736 -11.182 6.713 341 HE3 TRP 47 HE3 TRP 47 6.820 -8.433 2.129 342 HZ2 TRP 47 HZ2 TRP 47 4.249 -9.936 6.121 343 HZ3 TRP 47 HZ3 TRP 47 4.477 -7.801 2.444 344 HH2 TRP 47 HH2 TRP 47 3.231 -8.538 4.380 345 H ASN 48 H ASN 48 10.319 -12.232 0.197 346 HA ASN 48 HA ASN 48 12.977 -10.966 0.225 347 1HB ASN 48 2HB ASN 48 13.619 -12.946 -1.271 348 2HB ASN 48 1HB ASN 48 13.341 -13.297 0.432 349 1HD2 ASN 48 1HD2 ASN 48 12.329 -13.846 -2.800 350 2HD2 ASN 48 2HD2 ASN 48 11.052 -14.974 -2.431 351 H ASN 49 H ASN 49 13.879 -10.820 -2.120 352 HA ASN 49 HA ASN 49 11.966 -9.150 -3.488 353 1HB ASN 49 2HB ASN 49 13.827 -8.489 -4.929 354 2HB ASN 49 1HB ASN 49 14.283 -8.391 -3.231 355 1HD2 ASN 49 1HD2 ASN 49 15.885 -8.649 -5.683 356 2HD2 ASN 49 2HD2 ASN 49 16.871 -10.057 -5.447 357 H ASN 50 H ASN 50 10.761 -11.333 -3.697 358 HA ASN 50 HA ASN 50 11.548 -12.914 -6.011 359 1HB ASN 50 2HB ASN 50 10.677 -13.954 -3.913 360 2HB ASN 50 1HB ASN 50 9.126 -13.149 -4.193 361 1HD2 ASN 50 1HD2 ASN 50 8.147 -15.197 -4.172 362 2HD2 ASN 50 2HD2 ASN 50 8.226 -16.243 -5.569 363 H GLY 51 H GLY 51 10.393 -10.001 -5.896 364 1HA GLY 51 2HA GLY 51 9.207 -8.727 -7.425 365 2HA GLY 51 1HA GLY 51 8.857 -10.207 -8.323 366 H ASN 52 H ASN 52 8.218 -9.678 -4.936 367 HA ASN 52 HA ASN 52 5.424 -10.367 -5.407 368 1HB ASN 52 2HB ASN 52 5.348 -10.812 -2.978 369 2HB ASN 52 1HB ASN 52 6.623 -11.726 -3.774 370 1HD2 ASN 52 1HD2 ASN 52 6.728 -11.476 -1.109 371 2HD2 ASN 52 2HD2 ASN 52 7.991 -10.388 -0.644 372 H ILE 53 H ILE 53 6.334 -7.790 -6.125 373 HA ILE 53 HA ILE 53 4.773 -6.139 -4.263 374 HB ILE 53 HB ILE 53 7.001 -5.374 -4.029 375 1HG1 ILE 53 2HG1 ILE 53 5.069 -3.664 -4.695 376 2HG1 ILE 53 1HG1 ILE 53 6.711 -3.125 -4.381 377 1HG2 ILE 53 1HG2 ILE 53 7.271 -5.080 -7.006 378 2HG2 ILE 53 2HG2 ILE 53 7.818 -6.484 -6.111 379 3HG2 ILE 53 3HG2 ILE 53 8.531 -4.911 -5.783 380 1HD1 ILE 53 1HD1 ILE 53 5.483 -3.613 -7.084 381 2HD1 ILE 53 2HD1 ILE 53 7.150 -3.116 -6.797 382 3HD1 ILE 53 3HD1 ILE 53 5.822 -2.048 -6.347 383 H ILE 54 H ILE 54 3.205 -4.927 -5.080 384 HA ILE 54 HA ILE 54 3.052 -4.675 -8.009 385 HB ILE 54 HB ILE 54 1.150 -5.942 -6.701 386 1HG1 ILE 54 2HG1 ILE 54 -0.526 -5.028 -8.343 387 2HG1 ILE 54 1HG1 ILE 54 0.682 -3.825 -8.797 388 1HG2 ILE 54 1HG2 ILE 54 0.312 -3.089 -6.277 389 2HG2 ILE 54 2HG2 ILE 54 0.689 -4.276 -5.027 390 3HG2 ILE 54 3HG2 ILE 54 -0.721 -4.503 -6.064 391 1HD1 ILE 54 1HD1 ILE 54 1.111 -6.796 -8.957 392 2HD1 ILE 54 2HD1 ILE 54 2.162 -5.526 -9.589 393 3HD1 ILE 54 3HD1 ILE 54 0.571 -5.794 -10.305 394 H ALA 55 H ALA 55 3.251 -2.626 -8.773 395 HA ALA 55 HA ALA 55 3.406 -0.523 -6.776 396 1HB ALA 55 1HB ALA 55 5.163 -0.749 -8.548 397 2HB ALA 55 2HB ALA 55 4.440 0.857 -8.405 398 3HB ALA 55 3HB ALA 55 3.956 -0.222 -9.724 399 H ALA 56 H ALA 56 1.874 0.945 -6.468 400 HA ALA 56 HA ALA 56 -0.667 0.526 -7.760 401 1HB ALA 56 1HB ALA 56 -1.523 2.053 -6.073 402 2HB ALA 56 2HB ALA 56 0.132 2.460 -5.589 403 3HB ALA 56 3HB ALA 56 -0.495 0.824 -5.342 404 H SER 57 H SER 57 -2.017 2.456 -8.341 405 HA SER 57 HA SER 57 -0.421 4.598 -9.554 406 1HB SER 57 2HB SER 57 -1.316 2.906 -11.242 407 2HB SER 57 1HB SER 57 -2.929 3.457 -10.798 408 HG SER 57 HG SER 57 -1.650 4.482 -12.666 409 H PHE 58 H PHE 58 -1.153 6.587 -9.112 410 HA PHE 58 HA PHE 58 -3.184 6.847 -7.162 411 1HB PHE 58 2HB PHE 58 -2.508 9.071 -6.895 412 2HB PHE 58 1HB PHE 58 -1.026 8.176 -7.232 413 HD1 PHE 58 HD1 PHE 58 -3.391 10.627 -8.399 414 HD2 PHE 58 HD2 PHE 58 0.101 8.430 -9.402 415 HE1 PHE 58 HE1 PHE 58 -2.986 12.136 -10.256 416 HE2 PHE 58 HE2 PHE 58 0.525 9.958 -11.284 417 HZ PHE 58 HZ PHE 58 -1.024 11.827 -11.718 418 H SER 59 H SER 59 -5.123 7.840 -7.294 419 HA SER 59 HA SER 59 -6.207 8.248 -9.969 420 1HB SER 59 2HB SER 59 -7.464 8.105 -7.229 421 2HB SER 59 1HB SER 59 -8.368 8.622 -8.652 422 HG SER 59 HG SER 59 -7.068 6.118 -8.277 423 H GLY 60 H GLY 60 -5.423 9.968 -6.997 424 1HA GLY 60 2HA GLY 60 -4.473 12.212 -8.207 425 2HA GLY 60 1HA GLY 60 -6.199 12.519 -8.087 426 HA PRO 61 HA PRO 61 -4.155 13.637 -3.978 427 1HB PRO 61 2HB PRO 61 -4.608 16.413 -4.838 428 2HB PRO 61 1HB PRO 61 -3.166 15.688 -4.125 429 1HG PRO 61 2HG PRO 61 -3.247 16.453 -6.702 430 2HG PRO 61 1HG PRO 61 -2.317 15.040 -6.164 431 1HD PRO 61 2HD PRO 61 -5.002 15.147 -7.493 432 2HD PRO 61 1HD PRO 61 -3.645 14.036 -7.785 433 H ILE 62 H ILE 62 -5.608 13.862 -2.365 434 HA ILE 62 HA ILE 62 -8.361 13.753 -3.109 435 HB ILE 62 HB ILE 62 -7.216 13.920 -0.315 436 1HG1 ILE 62 2HG1 ILE 62 -7.811 11.496 -2.026 437 2HG1 ILE 62 1HG1 ILE 62 -6.204 12.072 -1.607 438 1HG2 ILE 62 1HG2 ILE 62 -9.816 12.830 -1.372 439 2HG2 ILE 62 2HG2 ILE 62 -9.613 14.312 -0.441 440 3HG2 ILE 62 3HG2 ILE 62 -9.281 12.752 0.307 441 1HD1 ILE 62 1HD1 ILE 62 -6.802 11.704 0.788 442 2HD1 ILE 62 2HD1 ILE 62 -6.676 10.263 -0.213 443 3HD1 ILE 62 3HD1 ILE 62 -8.264 10.894 0.216 444 H SER 63 H SER 63 -9.749 15.331 -3.295 445 HA SER 63 HA SER 63 -8.981 18.008 -3.225 446 1HB SER 63 2HB SER 63 -11.530 18.393 -3.381 447 2HB SER 63 1HB SER 63 -10.744 17.483 -4.672 448 HG SER 63 HG SER 63 -12.161 16.008 -4.220 449 H GLY 64 H GLY 64 -8.884 19.501 -1.706 450 1HA GLY 64 2HA GLY 64 -9.250 20.640 0.267 451 2HA GLY 64 1HA GLY 64 -10.666 19.632 0.523 452 H SER 65 H SER 65 -7.766 17.935 -0.024 453 HA SER 65 HA SER 65 -7.389 17.532 2.863 454 1HB SER 65 2HB SER 65 -7.408 15.369 0.750 455 2HB SER 65 1HB SER 65 -7.139 15.131 2.471 456 HG SER 65 HG SER 65 -9.490 16.374 1.526 457 H ASN 66 H ASN 66 -5.307 16.403 3.314 458 HA ASN 66 HA ASN 66 -3.195 17.532 1.610 459 1HB ASN 66 2HB ASN 66 -3.003 16.516 4.459 460 2HB ASN 66 1HB ASN 66 -1.735 17.343 3.562 461 1HD2 ASN 66 1HD2 ASN 66 -1.873 19.557 3.247 462 2HD2 ASN 66 2HD2 ASN 66 -2.984 20.555 4.123 463 H TYR 67 H TYR 67 -4.770 14.966 1.342 464 HA TYR 67 HA TYR 67 -2.503 13.109 1.340 465 1HB TYR 67 2HB TYR 67 -5.341 12.674 2.170 466 2HB TYR 67 1HB TYR 67 -4.438 11.333 1.475 467 HD1 TYR 67 HD1 TYR 67 -3.561 14.032 3.886 468 HD2 TYR 67 HD2 TYR 67 -3.774 9.867 3.132 469 HE1 TYR 67 HE1 TYR 67 -2.581 13.595 6.096 470 HE2 TYR 67 HE2 TYR 67 -2.787 9.404 5.336 471 HH TYR 67 HH TYR 67 -1.526 10.423 7.047 472 H GLU 68 H GLU 68 -2.892 11.259 -0.090 473 HA GLU 68 HA GLU 68 -3.961 12.164 -2.679 474 1HB GLU 68 2HB GLU 68 -1.485 12.109 -2.570 475 2HB GLU 68 1HB GLU 68 -1.545 10.421 -2.106 476 1HG GLU 68 2HG GLU 68 -2.117 9.720 -4.219 477 2HG GLU 68 1HG GLU 68 -2.773 11.293 -4.676 478 H TYR 69 H TYR 69 -4.146 9.895 -4.127 479 HA TYR 69 HA TYR 69 -5.896 8.224 -2.497 480 1HB TYR 69 2HB TYR 69 -7.036 10.407 -3.498 481 2HB TYR 69 1HB TYR 69 -7.070 9.443 -4.969 482 HD1 TYR 69 HD1 TYR 69 -7.509 8.367 -1.469 483 HD2 TYR 69 HD2 TYR 69 -9.346 8.920 -5.253 484 HE1 TYR 69 HE1 TYR 69 -9.546 7.277 -0.621 485 HE2 TYR 69 HE2 TYR 69 -11.395 7.829 -4.429 486 HH TYR 69 HH TYR 69 -12.052 6.237 -2.631 487 H TRP 70 H TRP 70 -5.326 6.255 -3.058 488 HA TRP 70 HA TRP 70 -4.164 5.901 -5.731 489 1HB TRP 70 2HB TRP 70 -3.641 4.354 -3.195 490 2HB TRP 70 1HB TRP 70 -2.743 4.244 -4.708 491 HD1 TRP 70 HD1 TRP 70 -3.487 7.011 -2.078 492 HE1 TRP 70 HE1 TRP 70 -1.350 8.407 -1.905 493 HE3 TRP 70 HE3 TRP 70 -0.780 4.814 -5.520 494 HZ2 TRP 70 HZ2 TRP 70 1.197 8.542 -3.025 495 HZ3 TRP 70 HZ3 TRP 70 1.551 5.478 -5.970 496 HH2 TRP 70 HH2 TRP 70 2.504 7.376 -4.735 497 H THR 71 H THR 71 -4.625 4.062 -6.896 498 HA THR 71 HA THR 71 -6.560 2.149 -5.811 499 HB THR 71 HB THR 71 -7.680 2.243 -8.143 500 HG1 THR 71 HG1 THR 71 -6.053 3.721 -8.988 501 1HG2 THR 71 1HG2 THR 71 -8.034 4.351 -6.026 502 2HG2 THR 71 2HG2 THR 71 -8.971 2.877 -6.271 503 3HG2 THR 71 3HG2 THR 71 -9.116 4.217 -7.409 504 H PHE 72 H PHE 72 -6.255 0.041 -6.665 505 HA PHE 72 HA PHE 72 -4.541 -0.196 -8.953 506 1HB PHE 72 2HB PHE 72 -2.776 -1.480 -7.933 507 2HB PHE 72 1HB PHE 72 -2.933 0.048 -7.073 508 HD1 PHE 72 HD1 PHE 72 -4.241 0.042 -4.905 509 HD2 PHE 72 HD2 PHE 72 -2.884 -3.509 -6.794 510 HE1 PHE 72 HE1 PHE 72 -4.459 -1.165 -2.770 511 HE2 PHE 72 HE2 PHE 72 -3.107 -4.729 -4.671 512 HZ PHE 72 HZ PHE 72 -3.898 -3.557 -2.656 513 H SER 73 H SER 73 -4.077 -2.455 -9.521 514 HA SER 73 HA SER 73 -5.866 -4.453 -8.412 515 1HB SER 73 2HB SER 73 -6.415 -5.218 -10.761 516 2HB SER 73 1HB SER 73 -7.206 -3.727 -10.245 517 HG SER 73 HG SER 73 -5.079 -4.077 -12.074 518 H ALA 74 H ALA 74 -4.991 -6.458 -8.444 519 HA ALA 74 HA ALA 74 -2.339 -6.749 -9.663 520 1HB ALA 74 1HB ALA 74 -2.723 -7.876 -6.949 521 2HB ALA 74 2HB ALA 74 -2.541 -6.131 -7.071 522 3HB ALA 74 3HB ALA 74 -1.279 -7.193 -7.704 523 H SER 75 H SER 75 -2.346 -8.487 -10.899 524 HA SER 75 HA SER 75 -4.142 -10.690 -10.444 525 1HB SER 75 2HB SER 75 -3.202 -9.867 -12.707 526 2HB SER 75 1HB SER 75 -1.717 -10.696 -12.255 527 HG SER 75 HG SER 75 -3.411 -12.528 -11.865 528 H VAL 76 H VAL 76 -3.756 -11.742 -8.550 529 HA VAL 76 HA VAL 76 -0.978 -12.613 -8.049 530 HB VAL 76 HB VAL 76 -1.273 -12.426 -5.693 531 1HG1 VAL 76 1HG1 VAL 76 -1.958 -10.028 -5.367 532 2HG1 VAL 76 2HG1 VAL 76 -2.378 -10.011 -7.067 533 3HG1 VAL 76 3HG1 VAL 76 -0.705 -10.306 -6.591 534 1HG2 VAL 76 1HG2 VAL 76 -3.393 -11.668 -4.669 535 2HG2 VAL 76 2HG2 VAL 76 -3.492 -13.236 -5.450 536 3HG2 VAL 76 3HG2 VAL 76 -4.167 -11.825 -6.248 537 H LYS 77 H LYS 77 -0.704 -14.716 -7.201 538 HA LYS 77 HA LYS 77 -3.129 -16.289 -6.805 539 1HB LYS 77 2HB LYS 77 -2.396 -18.133 -8.161 540 2HB LYS 77 1HB LYS 77 -2.417 -16.681 -9.147 541 1HG LYS 77 2HG LYS 77 0.117 -17.618 -7.867 542 2HG LYS 77 1HG LYS 77 -0.458 -18.336 -9.369 543 1HD LYS 77 2HD LYS 77 -0.567 -15.989 -10.296 544 2HD LYS 77 1HD LYS 77 0.311 -15.477 -8.852 545 1HE LYS 77 2HE LYS 77 1.818 -15.879 -10.750 546 2HE LYS 77 1HE LYS 77 2.144 -16.968 -9.403 547 1HZ LYS 77 1HZ LYS 77 0.523 -17.678 -11.793 548 2HZ LYS 77 2HZ LYS 77 0.981 -18.723 -10.535 549 3HZ LYS 77 3HZ LYS 77 2.158 -18.089 -11.579 550 H GLY 78 H GLY 78 -1.224 -15.135 -5.023 551 1HA GLY 78 2HA GLY 78 -0.816 -17.239 -3.242 552 2HA GLY 78 1HA GLY 78 0.689 -16.997 -4.122 553 H ILE 79 H ILE 79 -1.475 -15.753 -1.751 554 HA ILE 79 HA ILE 79 0.600 -13.995 -0.770 555 HB ILE 79 HB ILE 79 -0.480 -12.434 -2.216 556 1HG1 ILE 79 2HG1 ILE 79 -1.479 -11.994 0.601 557 2HG1 ILE 79 1HG1 ILE 79 0.120 -11.574 0.003 558 1HG2 ILE 79 1HG2 ILE 79 -2.951 -11.914 -1.806 559 2HG2 ILE 79 2HG2 ILE 79 -3.025 -13.510 -1.063 560 3HG2 ILE 79 3HG2 ILE 79 -2.553 -13.345 -2.757 561 1HD1 ILE 79 1HD1 ILE 79 -2.489 -10.383 -0.898 562 2HD1 ILE 79 2HD1 ILE 79 -0.911 -9.995 -1.571 563 3HD1 ILE 79 3HD1 ILE 79 -1.268 -9.612 0.112 564 H LYS 80 H LYS 80 0.486 -13.657 1.349 565 HA LYS 80 HA LYS 80 -1.698 -15.001 2.820 566 1HB LYS 80 2HB LYS 80 1.188 -14.581 3.625 567 2HB LYS 80 1HB LYS 80 -0.039 -15.342 4.624 568 1HG LYS 80 2HG LYS 80 0.933 -16.389 1.977 569 2HG LYS 80 1HG LYS 80 1.469 -16.953 3.561 570 1HD LYS 80 2HD LYS 80 -1.167 -17.224 3.890 571 2HD LYS 80 1HD LYS 80 -1.086 -17.420 2.137 572 1HE LYS 80 2HE LYS 80 -0.897 -19.584 3.166 573 2HE LYS 80 1HE LYS 80 0.660 -19.147 2.462 574 1HZ LYS 80 1HZ LYS 80 -0.103 -19.017 5.329 575 2HZ LYS 80 2HZ LYS 80 1.345 -18.386 4.713 576 3HZ LYS 80 3HZ LYS 80 1.039 -20.056 4.622 577 H GLU 81 H GLU 81 0.707 -12.446 3.010 578 HA GLU 81 HA GLU 81 -1.088 -10.784 4.645 579 1HB GLU 81 2HB GLU 81 1.859 -10.879 5.242 580 2HB GLU 81 1HB GLU 81 0.544 -10.333 6.270 581 1HG GLU 81 2HG GLU 81 1.009 -13.211 5.544 582 2HG GLU 81 1HG GLU 81 1.662 -12.443 6.988 583 H PHE 82 H PHE 82 0.026 -8.446 4.741 584 HA PHE 82 HA PHE 82 2.097 -7.982 2.860 585 1HB PHE 82 2HB PHE 82 1.009 -6.718 1.168 586 2HB PHE 82 1HB PHE 82 0.209 -8.276 1.276 587 HD1 PHE 82 HD1 PHE 82 -0.076 -4.708 2.087 588 HD2 PHE 82 HD2 PHE 82 -2.100 -8.430 1.752 589 HE1 PHE 82 HE1 PHE 82 -2.235 -3.536 2.236 590 HE2 PHE 82 HE2 PHE 82 -4.265 -7.273 1.913 591 HZ PHE 82 HZ PHE 82 -4.333 -4.819 2.154 592 H TYR 83 H TYR 83 2.787 -5.818 2.737 593 HA TYR 83 HA TYR 83 1.315 -3.820 4.204 594 1HB TYR 83 2HB TYR 83 3.457 -3.000 5.322 595 2HB TYR 83 1HB TYR 83 2.688 -4.411 6.020 596 HD1 TYR 83 HD1 TYR 83 5.058 -4.189 3.129 597 HD2 TYR 83 HD2 TYR 83 4.368 -5.560 7.085 598 HE1 TYR 83 HE1 TYR 83 7.248 -5.307 3.114 599 HE2 TYR 83 HE2 TYR 83 6.537 -6.709 7.076 600 HH TYR 83 HH TYR 83 8.138 -7.626 5.379 601 H ILE 84 H ILE 84 1.764 -1.701 3.448 602 HA ILE 84 HA ILE 84 2.744 -1.874 0.707 603 HB ILE 84 HB ILE 84 1.433 0.542 1.930 604 1HG1 ILE 84 2HG1 ILE 84 -0.113 -1.284 2.329 605 2HG1 ILE 84 1HG1 ILE 84 -0.706 -0.326 0.978 606 1HG2 ILE 84 1HG2 ILE 84 0.724 0.830 -0.470 607 2HG2 ILE 84 2HG2 ILE 84 1.831 -0.491 -0.860 608 3HG2 ILE 84 3HG2 ILE 84 2.451 1.000 -0.149 609 1HD1 ILE 84 1HD1 ILE 84 0.788 -2.918 0.718 610 2HD1 ILE 84 2HD1 ILE 84 0.074 -1.977 -0.589 611 3HD1 ILE 84 3HD1 ILE 84 -0.961 -2.732 0.622 612 H LYS 85 H LYS 85 4.547 -0.873 -0.038 613 HA LYS 85 HA LYS 85 6.202 0.477 1.902 614 1HB LYS 85 2HB LYS 85 6.674 -0.354 -0.954 615 2HB LYS 85 1HB LYS 85 7.844 0.547 0.001 616 1HG LYS 85 2HG LYS 85 7.311 -1.523 1.655 617 2HG LYS 85 1HG LYS 85 7.129 -2.286 0.070 618 1HD LYS 85 2HD LYS 85 9.433 -0.518 0.641 619 2HD LYS 85 1HD LYS 85 9.471 -2.188 1.197 620 1HE LYS 85 2HE LYS 85 10.565 -2.188 -0.890 621 2HE LYS 85 1HE LYS 85 8.961 -2.840 -1.202 622 1HZ LYS 85 1HZ LYS 85 9.567 -1.286 -2.912 623 2HZ LYS 85 2HZ LYS 85 9.882 -0.068 -1.779 624 3HZ LYS 85 3HZ LYS 85 8.295 -0.623 -2.006 625 H TYR 86 H TYR 86 5.965 2.471 2.209 626 HA TYR 86 HA TYR 86 4.790 4.247 0.242 627 1HB TYR 86 2HB TYR 86 4.138 4.320 2.634 628 2HB TYR 86 1HB TYR 86 5.796 4.696 3.073 629 HD1 TYR 86 HD1 TYR 86 3.976 6.148 0.214 630 HD2 TYR 86 HD2 TYR 86 5.420 6.746 4.153 631 HE1 TYR 86 HE1 TYR 86 3.481 8.535 0.016 632 HE2 TYR 86 HE2 TYR 86 4.928 9.144 3.979 633 HH TYR 86 HH TYR 86 3.016 10.449 1.531 634 H GLU 87 H GLU 87 6.228 4.897 -1.366 635 HA GLU 87 HA GLU 87 9.074 5.032 -0.573 636 1HB GLU 87 2HB GLU 87 8.354 2.902 -1.694 637 2HB GLU 87 1HB GLU 87 8.007 3.855 -3.129 638 1HG GLU 87 2HG GLU 87 10.289 4.497 -3.335 639 2HG GLU 87 1HG GLU 87 10.676 3.750 -1.788 640 H VAL 88 H VAL 88 9.556 7.145 -0.782 641 HA VAL 88 HA VAL 88 8.719 8.490 -3.262 642 HB VAL 88 HB VAL 88 9.800 10.225 -1.213 643 1HG1 VAL 88 1HG1 VAL 88 8.232 11.688 -1.891 644 2HG1 VAL 88 2HG1 VAL 88 7.049 10.425 -2.210 645 3HG1 VAL 88 3HG1 VAL 88 8.387 10.678 -3.335 646 1HG2 VAL 88 1HG2 VAL 88 7.354 8.631 -0.518 647 2HG2 VAL 88 2HG2 VAL 88 7.780 10.150 0.259 648 3HG2 VAL 88 3HG2 VAL 88 8.849 8.756 0.408 649 H SER 89 H SER 89 10.392 10.128 -4.015 650 HA SER 89 HA SER 89 12.866 8.722 -4.335 651 1HB SER 89 2HB SER 89 12.002 11.398 -5.424 652 2HB SER 89 1HB SER 89 13.445 10.500 -5.898 653 HG SER 89 HG SER 89 11.586 8.756 -6.174 654 H GLY 90 H GLY 90 12.427 9.464 -1.738 655 1HA GLY 90 2HA GLY 90 14.945 10.326 -1.017 656 2HA GLY 90 1HA GLY 90 13.874 11.709 -0.872 657 H LYS 91 H LYS 91 11.569 10.144 -0.154 658 HA LYS 91 HA LYS 91 12.306 9.430 2.588 659 1HB LYS 91 2HB LYS 91 10.270 11.092 1.421 660 2HB LYS 91 1HB LYS 91 9.519 9.830 2.384 661 1HG LYS 91 2HG LYS 91 9.907 11.762 3.763 662 2HG LYS 91 1HG LYS 91 10.995 10.467 4.261 663 1HD LYS 91 2HD LYS 91 12.771 11.489 2.857 664 2HD LYS 91 1HD LYS 91 11.683 12.839 2.538 665 1HE LYS 91 2HE LYS 91 11.616 13.369 4.910 666 2HE LYS 91 1HE LYS 91 12.651 11.986 5.266 667 1HZ LYS 91 1HZ LYS 91 14.416 13.007 3.973 668 2HZ LYS 91 2HZ LYS 91 13.899 14.072 5.191 669 3HZ LYS 91 3HZ LYS 91 13.414 14.318 3.589 670 H THR 92 H THR 92 11.426 7.558 3.539 671 HA THR 92 HA THR 92 9.589 5.942 1.975 672 HB THR 92 HB THR 92 12.075 4.639 3.040 673 HG1 THR 92 HG1 THR 92 11.715 6.070 0.718 674 1HG2 THR 92 1HG2 THR 92 10.145 3.169 2.759 675 2HG2 THR 92 2HG2 THR 92 11.396 2.792 1.573 676 3HG2 THR 92 3HG2 THR 92 9.970 3.710 1.087 677 H TYR 93 H TYR 93 8.260 4.791 3.166 678 HA TYR 93 HA TYR 93 8.796 4.180 5.957 679 1HB TYR 93 2HB TYR 93 6.176 5.504 5.231 680 2HB TYR 93 1HB TYR 93 6.786 5.129 6.835 681 HD1 TYR 93 HD1 TYR 93 6.960 7.400 4.030 682 HD2 TYR 93 HD2 TYR 93 8.341 6.623 7.955 683 HE1 TYR 93 HE1 TYR 93 7.776 9.723 4.176 684 HE2 TYR 93 HE2 TYR 93 9.163 8.937 8.139 685 HH TYR 93 HH TYR 93 8.274 11.379 5.986 686 H TYR 94 H TYR 94 6.225 3.249 6.547 687 HA TYR 94 HA TYR 94 5.570 1.348 4.431 688 1HB TYR 94 2HB TYR 94 6.349 0.473 7.222 689 2HB TYR 94 1HB TYR 94 5.696 -0.575 5.973 690 HD1 TYR 94 HD1 TYR 94 7.114 -0.475 3.685 691 HD2 TYR 94 HD2 TYR 94 8.616 0.425 7.562 692 HE1 TYR 94 HE1 TYR 94 9.384 -0.996 2.915 693 HE2 TYR 94 HE2 TYR 94 10.898 -0.079 6.796 694 HH TYR 94 HH TYR 94 11.961 -1.498 4.991 695 H ASP 95 H ASP 95 3.445 0.823 4.398 696 HA ASP 95 HA ASP 95 1.769 1.612 6.671 697 1HB ASP 95 2HB ASP 95 0.885 2.257 4.499 698 2HB ASP 95 1HB ASP 95 1.035 0.606 3.911 699 H ASN 96 H ASN 96 2.214 0.113 8.191 700 HA ASN 96 HA ASN 96 1.648 -2.698 7.525 701 1HB ASN 96 2HB ASN 96 4.116 -2.211 7.714 702 2HB ASN 96 1HB ASN 96 3.842 -1.751 9.389 703 1HD2 ASN 96 1HD2 ASN 96 2.246 -4.389 7.709 704 2HD2 ASN 96 2HD2 ASN 96 2.986 -5.672 8.622 705 H ASN 97 H ASN 97 0.138 -0.438 8.822 706 HA ASN 97 HA ASN 97 -1.160 0.033 10.611 707 1HB ASN 97 2HB ASN 97 -1.407 -2.614 10.300 708 2HB ASN 97 1HB ASN 97 -0.662 -2.600 11.895 709 1HD2 ASN 97 1HD2 ASN 97 -3.336 -3.303 10.891 710 2HD2 ASN 97 2HD2 ASN 97 -4.435 -2.372 11.861 711 H ASN 98 H ASN 98 1.200 -2.184 11.994 712 HA ASN 98 HA ASN 98 2.749 -0.110 13.230 713 1HB ASN 98 2HB ASN 98 0.891 -0.329 14.869 714 2HB ASN 98 1HB ASN 98 1.220 -2.053 14.994 715 1HD2 ASN 98 1HD2 ASN 98 2.319 1.144 15.773 716 2HD2 ASN 98 2HD2 ASN 98 3.509 0.669 16.948 717 H SER 99 H SER 99 1.906 -3.515 13.642 718 HA SER 99 HA SER 99 4.110 -4.443 12.107 719 1HB SER 99 2HB SER 99 5.120 -3.890 14.435 720 2HB SER 99 1HB SER 99 4.194 -5.272 15.014 721 HG SER 99 HG SER 99 5.425 -6.622 13.859 722 H ALA 100 H ALA 100 1.405 -4.625 11.888 723 HA ALA 100 HA ALA 100 0.517 -7.090 13.196 724 1HB ALA 100 1HB ALA 100 -1.754 -6.314 12.540 725 2HB ALA 100 2HB ALA 100 -1.017 -4.865 11.864 726 3HB ALA 100 3HB ALA 100 -0.893 -5.192 13.591 727 H ASN 101 H ASN 101 0.887 -5.617 10.021 728 HA ASN 101 HA ASN 101 0.865 -6.477 7.902 729 1HB ASN 101 2HB ASN 101 0.766 -9.125 9.349 730 2HB ASN 101 1HB ASN 101 0.796 -8.983 7.593 731 1HD2 ASN 101 1HD2 ASN 101 2.721 -10.156 9.499 732 2HD2 ASN 101 2HD2 ASN 101 4.221 -9.362 9.162 733 H TYR 102 H TYR 102 -0.651 -6.729 6.381 734 HA TYR 102 HA TYR 102 -3.378 -7.061 7.360 735 1HB TYR 102 2HB TYR 102 -2.376 -6.162 4.647 736 2HB TYR 102 1HB TYR 102 -4.057 -6.165 5.174 737 HD1 TYR 102 HD1 TYR 102 -0.929 -4.362 5.187 738 HD2 TYR 102 HD2 TYR 102 -4.748 -4.632 7.047 739 HE1 TYR 102 HE1 TYR 102 -0.636 -2.102 6.101 740 HE2 TYR 102 HE2 TYR 102 -4.465 -2.369 7.964 741 HH TYR 102 HH TYR 102 -1.943 -0.255 6.965 742 H GLN 103 H GLN 103 -3.774 -9.160 7.583 743 HA GLN 103 HA GLN 103 -2.832 -11.128 5.727 744 1HB GLN 103 2HB GLN 103 -4.532 -12.589 7.091 745 2HB GLN 103 1HB GLN 103 -3.010 -12.091 7.808 746 1HG GLN 103 2HG GLN 103 -5.336 -10.313 8.188 747 2HG GLN 103 1HG GLN 103 -5.343 -11.853 9.035 748 1HE2 GLN 103 1HE2 GLN 103 -2.294 -10.366 8.373 749 2HE2 GLN 103 2HE2 GLN 103 -1.976 -9.800 9.978 750 H VAL 104 H VAL 104 -3.821 -11.983 4.056 751 HA VAL 104 HA VAL 104 -6.254 -10.714 3.103 752 HB VAL 104 HB VAL 104 -4.725 -12.918 1.727 753 1HG1 VAL 104 1HG1 VAL 104 -6.936 -12.284 0.833 754 2HG1 VAL 104 2HG1 VAL 104 -5.623 -11.966 -0.296 755 3HG1 VAL 104 3HG1 VAL 104 -6.346 -10.638 0.608 756 1HG2 VAL 104 1HG2 VAL 104 -4.147 -9.966 1.593 757 2HG2 VAL 104 2HG2 VAL 104 -3.376 -11.215 0.617 758 3HG2 VAL 104 3HG2 VAL 104 -3.130 -11.179 2.365 759 H SER 105 H SER 105 -8.148 -11.894 2.475 760 HA SER 105 HA SER 105 -8.673 -14.163 4.196 761 1HB SER 105 2HB SER 105 -10.356 -12.336 3.879 762 2HB SER 105 1HB SER 105 -10.524 -12.835 2.196 763 HG SER 105 HG SER 105 -10.998 -15.006 3.208 764 H THR 106 H THR 106 -6.971 -15.374 2.999 765 HA THR 106 HA THR 106 -7.872 -16.515 0.470 766 HB THR 106 HB THR 106 -5.674 -17.760 0.609 767 HG1 THR 106 HG1 THR 106 -5.570 -17.398 2.973 768 1HG2 THR 106 1HG2 THR 106 -4.315 -15.807 0.025 769 2HG2 THR 106 2HG2 THR 106 -5.541 -14.744 0.718 770 3HG2 THR 106 3HG2 THR 106 -5.915 -15.709 -0.712
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